#DEFINITION	Reference Metabolome for Nerium oleander
#IDENTTFIER	RefMeta-Nerium oleander.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Nerium oleander
#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 Nerium oleander was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.64
Annotation	Unknow
Peak:m/z	Relative Intensity
83.76662	0.3
121.79449	0.2
145.03001	0.4
191.05597	1.1
243.37473	0.3
259.64383	0.3
277.21707	0.6
315.02536	0.3
363.26654	0.3
377.28439	0.4
379.29947	0.6
391.29971	0.4
409.31198	1.6
437.30444	2.6
455.31665	46.8
456.31848	1.5
464.58606	0.3
485.32715	100.0
486.33066	2.3
543.33057	0.4
545.24890	0.3
656.74078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	0.3
74.85840	0.1
81.03445	2.4
85.02962	0.3
87.00856	0.2
91.05514	0.2
93.03463	2.1
95.01406	0.3
101.02396	0.3
106.04224	0.7
108.02144	0.2
109.02962	0.7
117.03429	2.8
119.04996	0.8
121.02959	0.2
123.04501	12.5
125.02427	0.2
133.06599	0.2
135.04507	2.0
137.02492	0.6
138.03145	0.1
147.04526	0.6
149.02406	1.1
149.06007	0.2
159.04477	0.6
161.02420	2.2
161.06107	0.3
163.03983	1.2
167.03452	0.2
173.04509	0.2
173.05969	0.2
175.03926	1.5
177.01865	0.7
177.05562	1.2
179.03471	0.9
185.06128	0.2
187.07654	0.3
189.01874	0.3
191.03540	1.5
191.05600	4.3
192.05884	0.2
197.06041	0.2
199.03970	0.2
201.05582	0.3
203.03476	1.1
205.05067	0.9
217.05132	0.3
221.04521	1.2
224.08594	0.2
225.05693	0.2
227.07156	0.7
229.08685	11.4
233.04549	1.1
239.07179	0.2
241.04773	0.2
245.04459	0.8
251.07278	0.2
253.05074	0.2
253.08685	0.3
255.06651	3.0
263.05426	0.2
267.06558	0.7
268.07318	0.9
269.04541	0.2
273.04681	0.3
273.07635	3.8
275.05441	0.2
279.06454	0.4
281.04486	0.9
281.08044	0.2
282.05350	2.1
283.06125	3.7
293.04605	0.3
294.05145	0.3
295.06067	4.8
296.06900	2.6
297.07657	18.8
298.07950	0.3
307.06158	2.1
309.07730	2.0
311.05612	3.8
314.04309	0.3
319.06085	0.2
321.03973	0.2
321.07523	0.2
322.04593	0.6
323.05627	5.3
324.06195	0.4
325.07159	9.0
328.05869	4.6
333.07748	0.2
335.05585	1.6
337.07166	4.2
339.04837	0.2
339.08670	0.3
341.06622	0.4
347.05753	0.2
351.04968	0.3
353.06644	37.9
354.06955	0.9
355.08105	1.4
356.05368	1.1
363.05109	0.2
365.06628	5.4
367.08167	0.7
377.06433	0.3
379.08490	0.2
381.06073	0.4
383.07700	28.3
384.07996	0.3
386.06464	0.3
395.07654	4.1
397.09116	0.4
407.07782	0.7
413.08704	4.7
419.07809	0.3
425.08743	1.6
427.10254	0.2
435.12903	8.2
437.08749	0.9
443.09802	13.6
455.09802	1.7
473.10901	10.2
485.10709	1.2
503.12103	1.3
545.13159	1.0
563.14038	100.0
564.14453	3.1
739.47345	0.2
871.22156	0.3
1012.09259	0.2
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
74.05068	24.7
108.22475	21.1
119.54430	20.9
159.88614	25.9
202.93260	25.4
277.21704	100.0
278.22067	33.1
279.22424	24.3
314.01569	23.1
464.21124	26.8
706.89038	25.6
900.10999	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.2
71.24687	0.1
71.57926	0.1
83.01399	0.5
85.02962	0.8
91.01889	0.1
93.03463	0.6
98.51582	0.1
107.01371	1.9
108.02157	1.1
109.02935	1.3
112.39331	0.2
119.01394	0.2
121.02927	1.6
125.02422	0.3
125.31805	0.1
134.36588	0.1
135.00856	0.7
135.04500	0.1
137.90440	0.1
139.03929	0.1
148.01610	1.2
149.02367	0.2
151.00349	8.7
159.04575	0.2
161.02380	0.2
163.00360	2.0
164.01112	0.3
169.01424	0.5
172.05281	0.2
178.99849	3.8
183.04497	0.3
187.03992	0.3
187.07639	0.7
191.05594	6.9
192.00630	0.3
198.03175	0.2
199.03955	0.7
200.04846	0.2
201.01933	0.1
201.05524	0.3
203.03503	0.2
211.04044	0.8
212.04720	0.2
215.03554	0.3
215.07217	0.2
216.04247	0.6
226.02731	1.4
227.03455	2.9
229.04976	0.5
239.03435	0.3
243.02960	8.9
244.03484	0.8
245.04503	0.9
254.02220	1.8
255.02972	26.2
256.03503	1.0
257.08212	0.7
271.02463	54.2
272.03003	3.1
273.04147	1.0
283.02515	1.0
299.01965	1.7
300.02740	100.0
301.03485	28.7
302.03693	0.8
320.84991	0.2
327.30875	0.1
376.92838	0.2
449.15222	0.2
463.08865	1.7
505.09882	74.2
506.10052	3.6
507.10217	0.2
551.47235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6732
Annotation	Unknow
Peak:m/z	Relative Intensity
79.87525	2.1
103.22753	1.9
125.02431	1.7
160.76146	1.8
180.66222	2.0
191.05569	10.9
278.63763	1.7
386.59280	1.8
487.34360	9.3
534.80194	1.8
646.94312	1.8
997.67456	100.0
998.68396	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	997.6734
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10784	1.1
191.05589	3.1
195.35905	0.7
215.18074	0.6
217.41220	0.6
301.82477	0.6
487.34274	100.0
488.34464	9.1
489.34937	2.2
997.67377	51.1
998.67865	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	997.6739
Annotation	Unknow
Peak:m/z	Relative Intensity
73.91670	0.8
76.70322	0.9
93.56885	0.8
119.64453	1.0
191.05595	5.1
377.28500	4.0
393.31509	6.6
397.05743	0.9
405.31516	1.3
407.33707	1.6
421.30743	1.0
423.32773	19.5
425.34412	1.8
437.30939	1.4
439.32166	1.9
441.33780	5.7
457.33249	1.6
467.31467	4.9
469.33356	9.1
487.34320	24.1
488.34634	1.5
501.32257	1.1
997.67438	100.0
998.68103	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	997.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.4
73.02946	0.2
83.01376	0.3
93.03448	0.9
95.01397	0.3
107.01369	0.2
109.02923	2.2
111.00811	0.2
119.05030	0.9
121.02923	0.9
123.04550	0.2
133.02924	9.3
134.03714	0.9
135.00868	0.4
135.04494	1.6
137.02383	0.4
145.02972	0.5
147.04500	0.4
149.02415	0.8
151.04028	0.4
159.04524	0.3
161.02394	1.4
163.00414	0.6
163.03940	1.2
165.01978	0.3
167.03471	0.9
171.04486	0.4
172.26924	0.2
173.02399	0.4
173.04573	0.3
173.06003	0.3
175.03958	2.7
177.01915	2.2
177.05591	1.0
177.71706	0.2
179.03471	1.0
187.03989	0.5
189.01947	0.3
189.05557	0.9
190.02667	0.2
191.03534	1.2
191.05606	6.2
192.05952	0.5
198.03378	0.3
199.04010	0.3
201.01961	1.5
203.03485	1.4
205.01390	0.5
205.05080	0.9
207.03029	0.2
211.04012	0.3
213.05615	1.2
214.02730	0.2
215.03448	0.3
217.05046	0.9
225.05463	0.4
226.02695	0.3
227.03496	0.8
229.01431	0.4
233.04495	0.5
235.02571	0.3
235.05905	0.3
237.05632	0.3
239.07127	0.3
240.04208	0.3
241.05014	0.5
243.03076	0.3
245.04550	1.3
249.05605	0.4
253.05193	0.5
254.05840	0.4
255.02989	0.6
255.06566	0.4
257.04630	0.3
265.04971	0.4
267.02884	0.3
267.06583	1.6
269.04514	1.0
279.06702	0.2
281.04431	0.8
283.06161	1.4
284.03409	1.7
284.06329	0.3
285.04044	4.3
293.04532	1.1
295.06097	1.0
297.04059	8.3
298.04785	12.3
299.05563	6.4
309.03989	1.3
310.04663	1.7
311.05621	9.7
312.06384	10.8
313.07147	10.2
323.05603	2.4
324.06134	0.3
325.03458	1.0
325.07227	2.2
327.05112	17.0
328.05582	0.3
330.03836	0.3
337.03650	0.4
337.07217	0.4
338.04401	0.4
339.05087	15.2
340.05548	0.4
341.06647	6.4
344.05106	1.8
351.05115	1.5
353.06616	4.3
355.04517	0.3
357.06149	13.6
358.06146	0.3
363.05157	0.3
365.06714	0.4
367.04556	0.5
369.06134	38.6
370.06531	1.1
371.07697	1.3
381.06107	6.3
382.06647	0.3
383.07660	1.4
393.06046	0.8
395.07651	1.6
399.07196	44.2
400.07584	1.5
405.06204	0.4
411.07211	5.7
413.08728	0.4
423.07297	2.6
425.08801	0.3
429.08267	10.2
435.06528	0.4
441.08243	7.0
447.09308	13.8
448.08823	0.3
453.08005	1.8
459.09329	13.3
471.09274	1.3
489.10278	3.3
515.11768	0.3
531.11737	1.3
549.12500	100.0
550.12708	3.5
768.96564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	14.9
73.02931	3.2
76.55304	0.8
82.76153	0.7
83.01389	1.3
85.02941	3.2
87.00890	4.1
89.02431	14.8
95.01370	1.0
97.02936	3.1
99.00868	1.2
101.02414	10.7
113.02448	6.8
119.03475	5.0
125.02451	6.0
153.57843	0.9
161.04514	3.5
179.05603	1.2
182.61029	0.8
189.37587	0.9
201.35712	0.8
221.06677	1.2
235.08150	4.4
265.43475	0.9
277.21707	100.0
278.22113	1.1
287.07648	1.3
379.12460	7.9
397.13492	27.4
415.14514	4.3
448.60214	0.9
481.45764	1.2
675.35510	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	997.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
73.42073	0.1
83.01389	0.5
91.01867	0.2
93.03448	0.1
107.01382	2.2
108.02142	1.2
109.02937	1.2
119.01345	0.1
121.02913	1.4
124.01633	0.2
125.02453	0.1
131.85385	0.1
135.00873	0.6
144.94760	0.1
147.00905	0.1
148.01643	1.0
149.02457	0.2
151.00354	9.9
159.04547	0.5
163.00337	2.3
164.01122	0.6
165.01964	0.1
165.52451	0.1
169.01375	0.6
170.95856	0.1
171.04462	0.2
173.06071	0.1
175.03998	0.1
176.81798	0.1
178.98257	0.2
178.99829	4.7
183.04489	0.5
185.06013	0.2
187.04004	0.8
190.99873	0.2
191.05606	0.5
192.00574	0.5
198.02939	0.1
199.03983	0.8
201.05551	0.2
210.83611	0.1
211.03992	0.8
212.04681	0.1
215.03448	0.5
216.04262	0.5
226.02768	1.0
227.03529	2.0
227.57234	0.1
228.04291	0.3
229.05038	0.7
239.03381	0.2
243.02968	9.3
244.03615	0.2
245.04482	1.4
254.02191	2.1
255.02972	26.1
256.03601	0.7
257.04398	0.1
266.02039	0.2
271.02460	52.3
272.03094	2.2
273.04010	0.9
283.02441	1.3
284.03314	1.4
285.03964	1.9
297.03937	0.1
299.01920	1.1
300.02737	100.0
301.03491	29.5
302.03879	0.6
447.09335	1.1
463.08771	1.6
505.09888	71.2
506.10080	1.7
743.50568	0.1
751.92908	0.1
870.28510	0.1
918.20087	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	995.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	1.9
71.01742	0.1
72.99301	0.2
73.02905	0.1
75.00879	0.5
83.01385	0.5
85.02939	2.5
85.03413	0.1
87.00866	0.6
89.02438	0.4
92.63846	0.1
93.03453	0.2
95.01383	0.7
99.00867	1.2
103.00368	0.4
105.03413	0.3
107.01373	1.3
109.02943	0.7
113.02437	1.7
115.00378	0.4
117.01939	0.5
117.03437	0.6
119.05019	0.1
121.02936	0.4
125.02466	0.1
129.01900	0.1
131.04942	0.1
132.02126	0.1
133.02925	4.3
135.04495	0.8
147.04514	0.5
149.02429	1.4
151.00356	3.6
157.03004	0.1
159.04459	0.2
161.02444	0.5
163.03958	0.2
171.04532	0.2
173.02486	0.1
173.06122	0.3
175.02577	0.2
175.03955	2.2
177.01910	0.3
177.05482	0.1
179.03503	0.2
185.06053	0.3
187.03995	0.2
189.05544	0.3
191.03667	0.3
191.05600	0.9
197.06059	0.5
198.03200	0.3
199.04013	1.8
201.01923	0.7
201.05540	0.1
203.03470	0.4
205.05078	0.1
211.04080	0.1
213.05544	0.4
215.03554	0.5
217.05045	1.3
221.04651	0.2
226.25848	0.1
229.01385	0.3
229.05136	0.1
239.03476	0.2
240.04352	0.1
241.05087	0.8
242.02159	0.1
243.02913	0.7
245.04738	0.1
257.04520	0.7
267.02884	0.4
267.06500	0.3
268.07513	0.3
269.04565	0.1
281.04581	0.2
282.05276	0.4
283.06174	0.9
284.03287	0.6
285.04028	100.0
286.04349	2.4
294.05234	0.1
295.06143	1.3
296.06754	0.6
297.04025	0.5
297.07611	4.2
298.04755	0.2
299.05484	0.1
307.06088	0.5
309.07629	0.5
311.05490	0.7
321.07611	0.1
323.05582	1.1
325.07101	1.5
327.05008	1.2
328.05975	0.9
335.05603	0.3
337.06976	0.7
339.05145	0.6
341.06622	0.1
353.06625	5.8
354.07138	0.1
355.04385	0.1
355.08362	0.1
356.05316	0.1
357.06155	0.6
365.06653	1.4
369.06009	0.2
377.06540	0.1
379.08612	0.1
381.06110	0.4
383.07700	5.6
383.12656	0.2
384.08191	0.1
395.07663	0.7
397.09232	0.1
407.07550	0.2
413.08832	0.8
425.08920	0.6
427.10580	0.1
443.09781	2.5
455.09784	0.2
461.07248	38.1
462.07498	1.1
463.08438	0.1
473.10977	1.5
515.11804	0.2
531.11249	0.3
533.12994	11.9
534.13092	0.3
802.95630	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	993.6428
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.3
71.05005	3.3
86.16320	0.3
94.08665	0.4
165.72693	0.3
200.24333	0.3
369.27979	1.7
375.30557	0.5
377.28448	1.9
391.30276	0.5
393.31766	1.7
403.30072	1.9
407.29620	0.7
411.32977	0.5
417.27820	0.3
419.29800	0.5
421.31113	1.6
423.32874	3.4
425.30725	5.8
437.30835	3.3
441.33731	3.2
455.31879	2.1
465.30026	0.4
467.31665	31.2
468.31973	1.3
485.32724	59.6
486.32977	1.8
803.86755	0.4
993.64276	100.0
994.64557	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	993.6428
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	0.2
78.04742	0.2
83.05017	14.5
97.06571	1.1
97.45345	0.3
102.16409	0.3
109.06586	0.3
111.76829	0.3
113.15846	0.2
119.93861	0.3
121.10254	0.3
127.66765	0.3
135.04520	0.4
143.26610	0.3
144.74954	0.3
177.72954	0.3
191.05563	1.7
211.79677	0.3
309.22119	0.4
323.23901	0.4
325.25421	2.3
339.26926	4.2
355.26324	3.6
357.27972	8.7
375.26675	0.6
389.28430	0.5
391.30023	1.4
401.26819	2.7
403.30396	0.5
405.31845	2.9
413.30658	5.2
421.31384	2.3
423.32675	4.0
435.28482	0.3
437.30609	1.7
441.33780	4.9
455.31598	2.1
465.29932	1.3
467.31616	25.8
468.32101	0.6
473.32495	1.8
485.32715	19.5
486.33157	1.5
487.33560	1.0
488.33957	0.4
489.36118	0.4
503.33890	0.3
504.33920	0.4
507.31372	0.6
511.30420	0.4
548.41791	0.3
666.97693	0.4
993.64270	100.0
994.64618	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	991.6862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05018	0.7
77.33770	0.3
92.00520	0.4
92.10264	0.4
93.03468	0.6
124.56418	0.4
128.14505	0.4
137.04216	0.3
141.79913	0.3
169.13506	0.5
174.67180	0.3
183.58287	0.3
191.05620	1.6
211.77576	0.4
218.61880	0.4
357.27893	0.6
369.27878	0.6
403.30502	0.4
423.32660	0.8
427.32059	1.8
437.30978	0.7
441.33655	2.1
443.35260	1.4
457.33353	0.4
467.31659	1.5
469.33270	15.4
470.33655	0.7
487.34268	100.0
488.34567	4.8
489.35110	0.5
501.32449	2.8
502.32581	2.8
503.33292	3.0
610.24323	0.5
991.68616	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	989.6702
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	0.6
75.28035	0.6
78.66988	0.7
81.69039	0.8
88.21944	0.8
110.92999	0.8
129.60066	0.7
168.86766	0.9
172.15967	0.7
191.05568	4.4
198.92488	0.7
377.28220	0.9
393.31625	1.1
421.31345	8.5
439.32126	1.7
457.33524	1.4
483.31210	12.7
485.32520	1.0
487.34302	71.0
488.34848	5.2
489.35596	4.1
499.30762	5.4
500.31009	9.8
501.32217	100.0
502.32379	3.6
503.33289	1.2
902.53711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.7078
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05042	0.3
75.65891	0.2
77.83716	0.2
81.07979	0.2
81.12914	0.3
81.77515	0.2
103.00404	1.1
104.20424	0.2
107.97945	0.3
114.92288	0.3
120.31977	0.3
120.47298	0.3
125.09702	0.3
129.73526	0.3
191.05672	0.5
268.38785	0.3
366.16306	0.3
377.32266	0.4
393.31723	2.7
395.33145	7.3
397.31311	1.1
405.31534	0.3
409.31107	0.4
413.34174	5.5
421.31201	0.5
423.32874	2.6
471.34769	100.0
472.34940	3.2
499.34207	9.0
517.35297	61.0
518.35565	2.0
859.06689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.6795
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93651	0.2
69.18831	0.2
71.05036	0.3
78.95891	2.5
152.99593	0.4
168.04257	0.3
169.27119	0.2
177.01886	0.2
179.70598	0.2
191.05571	1.1
198.18764	0.2
224.06898	1.2
264.21255	0.2
279.23257	17.4
281.75934	0.2
326.34171	0.2
350.01355	0.2
357.34232	0.2
405.31323	0.2
411.32483	0.3
451.32025	0.3
453.33734	4.5
471.34778	100.0
472.35022	3.7
504.30957	21.2
505.30771	0.3
517.39105	1.1
518.39191	0.9
638.78461	0.2
730.24915	0.2
931.61090	0.4
990.68060	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	989.6699
Annotation	Unknow
Peak:m/z	Relative Intensity
81.57638	1.0
83.05019	1.3
83.30319	0.9
92.10888	1.7
98.78553	0.9
124.56706	0.8
129.89365	0.9
191.05554	4.1
226.35442	1.1
251.49188	0.9
273.83643	1.0
312.13583	0.9
363.26709	2.1
375.27124	1.0
377.28644	1.4
379.29932	6.2
391.30264	1.2
409.31177	36.1
410.31296	4.9
425.29834	1.4
426.58612	1.1
453.30185	10.6
454.30670	1.3
455.31720	4.0
467.31631	1.4
471.31033	1.5
485.32568	6.5
486.33273	1.3
487.34204	19.2
501.32251	100.0
502.32617	13.5
503.33243	10.0
604.93781	1.4
786.92590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6717
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	2.6
76.12048	1.2
85.02924	1.1
137.90564	1.3
158.68472	1.2
191.05597	9.9
213.51134	1.1
242.56633	1.2
246.33083	1.4
405.31525	2.6
409.31247	2.0
425.34586	1.4
441.33966	4.6
442.34259	4.2
451.32016	3.1
453.30084	17.9
454.30270	1.6
467.31558	1.5
469.33124	8.1
471.31152	15.5
483.31198	8.7
485.32495	8.2
486.33160	8.5
487.34427	58.3
488.34607	1.5
501.32278	100.0
502.32617	8.5
503.32925	1.5
555.43451	1.5
772.25330	1.4
822.03284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05018	3.3
79.88068	0.4
83.05033	0.5
89.12637	0.5
101.06097	0.6
149.20944	0.5
191.05632	2.6
246.77618	0.5
265.02621	0.5
299.24911	0.5
350.42178	0.5
362.17017	0.6
375.27139	1.1
379.30170	5.8
391.30075	10.8
393.28015	2.1
397.31323	0.6
407.29675	1.1
409.31216	12.1
421.31357	0.7
423.28656	1.0
427.32104	2.3
439.32523	0.9
441.33768	6.4
442.34290	8.4
443.34637	3.9
453.30505	0.6
455.31854	5.3
456.32349	0.6
471.31073	10.1
483.31259	1.1
485.32901	4.7
486.33023	7.3
487.34323	94.1
488.34677	3.1
501.32220	100.0
502.32602	8.5
503.33124	2.3
554.63037	0.5
594.30688	0.6
631.43848	0.7
714.07544	0.6
976.58612	0.5
978.90417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	53.9
71.01749	2.3
73.02927	15.4
83.01386	7.7
85.02939	25.8
87.00867	6.6
87.04521	3.1
89.02423	25.2
93.03435	12.4
95.01365	8.1
97.02969	1.4
99.00860	7.2
101.02425	44.3
101.06053	8.1
107.09348	1.2
113.02438	27.8
119.03494	9.7
124.58303	1.2
125.02430	4.2
131.32019	1.1
131.83003	1.2
135.04497	6.4
137.02431	1.9
143.03444	5.4
159.02899	2.2
159.17232	1.4
161.02385	1.5
161.04549	17.1
173.04530	6.2
179.05571	2.5
185.67677	1.2
191.05583	29.4
192.05951	1.7
232.00104	1.2
255.19698	1.8
381.22812	10.0
399.23853	100.0
400.24213	2.0
417.24957	54.0
418.25403	1.5
441.25131	15.9
449.14340	5.2
459.25967	63.5
496.07480	1.3
754.53113	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	987.6558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05014	14.5
71.05378	0.8
71.28088	0.5
73.02923	0.7
79.72366	0.6
83.05019	0.7
85.06577	2.3
93.03461	0.9
97.06599	2.7
123.08143	2.4
191.05701	1.1
265.18082	0.8
282.36508	0.7
305.21356	2.3
321.22293	5.3
325.21698	2.7
337.25244	1.0
339.23166	1.0
353.24933	3.0
355.26419	11.5
363.27042	2.3
367.26364	4.1
369.27933	2.9
379.30103	3.0
383.25882	1.2
389.27011	7.6
391.30356	1.4
393.28064	0.8
395.29556	2.5
401.27121	5.6
407.25400	0.9
407.29987	1.1
409.31427	17.2
413.26843	0.8
421.31216	1.4
423.24939	1.2
425.30560	4.1
427.32138	1.4
429.30127	4.4
437.30780	5.1
439.32196	22.5
441.33755	37.9
453.30429	6.4
455.31699	27.6
456.31329	0.8
471.31049	3.4
473.32727	100.0
474.32761	2.6
483.30823	5.9
485.32944	14.2
491.33746	17.5
499.30917	0.9
501.32224	48.6
502.32529	1.5
517.31708	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	987.6555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.1
69.78452	0.0
71.05004	1.9
72.99302	0.5
73.02932	0.2
83.05024	0.5
92.10820	0.1
118.41312	0.0
125.09674	0.7
134.56313	0.1
191.05588	0.2
281.22659	0.2
309.25763	0.1
327.26898	0.1
329.28348	0.1
341.28571	0.1
367.29950	0.2
379.29984	0.2
395.29041	0.1
395.33609	0.1
397.26236	0.1
397.31082	1.3
399.29456	0.1
409.30948	0.1
411.32590	0.4
413.34256	3.6
415.32391	0.2
423.32507	0.3
429.33777	0.1
439.32184	0.4
441.33884	0.8
443.31598	0.1
457.33224	8.4
458.33667	0.3
459.34781	1.1
483.30890	0.3
485.32660	1.3
501.32532	0.1
503.33765	100.0
504.34143	3.4
504.41788	0.1
589.29199	0.1
843.92834	0.1
999.77551	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	987.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02422	13.8
104.50968	13.4
117.12389	13.1
132.39885	11.9
140.39537	16.8
182.73270	16.5
277.21561	19.9
293.21039	100.0
397.13269	19.5
966.99310	14.6
987.54309	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6563
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	0.2
71.05016	1.3
73.02934	0.3
83.05020	3.6
92.10791	0.3
95.70782	0.2
134.84012	0.1
172.53752	0.2
191.05577	0.8
200.48463	0.2
313.12607	0.1
325.25351	1.1
339.26941	0.6
355.26370	1.8
357.27881	0.9
363.26859	1.0
375.26917	0.3
377.28430	0.6
379.30081	0.9
389.28818	0.3
391.30078	1.5
401.27554	0.3
403.30075	0.3
405.31689	0.8
407.29956	1.0
409.31369	1.5
411.28986	0.6
413.30573	1.1
417.20157	0.2
419.29520	1.1
420.29840	0.6
421.31375	1.7
423.28979	1.5
423.33301	0.8
425.30637	0.3
427.32175	0.9
435.28986	0.9
436.29608	0.3
437.30606	3.1
438.30865	2.3
439.31512	0.8
441.29959	0.9
441.34674	0.4
453.30096	9.5
454.30325	0.3
455.31619	1.4
457.33359	1.8
465.30188	1.1
467.31674	11.5
473.32776	0.7
481.29437	0.6
483.31171	13.2
484.31439	0.8
485.32712	55.2
486.33139	2.6
487.33618	0.6
499.30563	4.4
500.30963	3.7
501.32211	100.0
502.32529	3.9
503.33542	0.7
581.20343	0.2
925.38116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	0.7
71.01369	78.3
71.05022	0.8
71.55249	0.5
72.99291	4.7
73.02929	30.9
73.03316	1.1
83.01375	16.4
83.01840	0.8
85.02937	32.5
86.00087	0.5
87.00880	3.3
87.04480	5.7
89.02429	41.8
92.10847	2.8
93.03477	0.8
95.01375	7.2
97.02938	1.5
99.00867	8.6
101.02419	76.1
101.06078	5.2
113.02431	39.6
119.03473	14.9
125.02409	2.6
129.01886	1.0
131.03477	1.0
143.03496	4.2
149.04526	0.9
159.02977	5.1
161.04524	22.5
179.05589	3.4
191.05638	3.1
203.05580	1.5
219.17596	2.5
221.06732	1.0
279.19635	0.9
333.20609	0.7
341.24820	1.0
381.22812	36.2
399.23871	100.0
400.24319	2.3
441.24930	96.2
442.25119	1.3
451.28558	3.6
481.29373	1.0
499.30698	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	985.6612
Annotation	Unknow
Peak:m/z	Relative Intensity
85.10358	0.4
86.38404	0.4
92.10100	0.4
93.03392	0.4
154.23296	0.4
154.24605	0.4
191.05629	2.4
205.16035	0.4
240.82376	0.5
277.21652	2.4
407.33496	0.8
452.06262	0.5
453.33075	0.5
471.34811	100.0
472.35233	3.0
557.63721	0.5
774.32941	0.5
895.73346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	22.3
93.18473	13.8
101.02467	16.1
108.77663	12.6
120.59635	14.7
143.78812	15.0
218.85681	17.5
277.21600	36.0
293.21130	88.6
357.66281	16.8
397.13461	65.7
787.36804	18.9
920.51776	17.9
987.54388	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	981.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95089	0.2
73.02933	0.4
81.66042	0.2
99.92577	10.7
114.93405	0.6
116.92848	100.0
116.97149	2.0
117.01928	1.3
117.92876	1.0
128.83588	0.2
148.91821	0.3
170.98154	0.2
209.11971	0.3
226.64711	0.2
255.23375	0.5
267.07623	0.3
275.82666	0.3
313.19125	0.9
494.60742	0.3
624.98224	0.3
747.73889	0.3
749.12091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.6252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05003	1.2
83.05030	6.5
92.10099	3.3
94.41916	0.6
115.06586	0.7
134.81657	0.8
191.05547	3.8
192.05846	0.9
325.25302	1.1
353.24921	1.1
355.26318	3.6
375.26730	1.3
389.28323	1.2
391.29901	1.5
405.28210	1.5
407.29636	5.6
419.29553	1.2
421.31070	4.4
435.28925	2.7
439.28061	1.1
439.33136	1.0
451.28641	3.9
453.30096	4.3
455.31674	13.1
465.30090	21.9
471.31305	1.1
481.29614	15.3
483.31134	100.0
484.31476	3.2
499.30667	99.7
500.31082	3.6
503.33713	1.1
559.13843	1.1
816.39185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
72.43404	0.2
84.02890	0.2
99.92575	10.1
111.36002	0.2
114.93393	0.9
116.92849	100.0
117.01915	0.2
117.92827	1.8
244.86336	0.2
269.24112	0.2
326.49286	0.2
362.67844	0.2
369.00333	0.2
428.91843	0.2
471.30603	0.2
514.00562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	0.1
83.01403	0.5
85.02929	0.3
91.01910	0.1
93.03471	0.2
95.44090	0.1
104.80161	0.1
105.54334	0.1
107.01379	2.2
108.02151	1.0
109.02911	1.2
121.02925	1.6
124.01671	0.2
125.02395	0.2
133.02940	0.1
135.00861	0.7
135.04533	0.2
137.02400	0.2
148.01645	1.1
149.02515	0.2
151.00356	9.2
153.01898	0.5
159.04427	0.3
161.02336	0.3
163.00348	2.1
163.04065	0.2
164.01065	0.5
167.04938	0.1
169.01399	0.7
175.03960	0.2
178.99837	4.5
183.04442	0.2
187.04112	0.4
191.05594	1.8
192.00594	0.3
199.03990	0.7
201.05569	0.5
203.03470	0.3
211.04005	0.9
215.03511	0.6
216.04269	0.6
226.02744	1.2
227.03520	2.6
228.04198	0.3
229.01421	0.1
229.05013	0.7
243.02960	9.4
244.03548	0.6
245.04546	1.0
254.02208	2.4
255.02969	26.3
256.03503	0.7
271.02463	52.3
272.02963	2.7
273.03995	0.8
275.28281	0.1
283.02469	1.2
283.05551	0.2
285.04053	0.3
299.02005	1.3
300.02740	100.0
301.03485	29.2
302.03714	0.6
311.05563	0.1
323.05429	0.2
341.03058	0.4
357.06085	0.1
369.06116	0.5
399.07153	0.2
463.08841	1.8
503.08389	0.3
505.09888	74.3
506.10074	2.8
563.13788	1.1
632.28247	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	977.7088
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63822	0.1
71.05014	1.4
72.07881	0.1
78.62707	0.1
81.82782	0.1
88.48120	0.1
96.39742	0.1
97.58802	0.1
101.06047	0.3
139.46538	0.1
158.16312	0.2
163.39757	0.1
163.94858	0.2
190.02649	0.1
191.05618	0.9
209.11855	0.1
211.77884	0.1
231.30911	0.1
312.34827	0.1
325.25485	0.2
337.25275	0.6
350.62024	0.1
355.26419	0.7
377.28476	0.3
379.30048	1.3
389.28412	0.6
391.30206	2.4
393.27899	0.3
409.31183	1.5
435.29050	0.2
437.30963	0.3
441.30197	1.6
457.33182	1.1
469.29492	0.3
471.31082	0.7
475.33722	0.2
483.31158	13.9
484.31470	0.7
501.32230	100.0
502.32608	3.7
503.33109	0.5
976.34375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.2
71.01387	1.3
76.55808	0.3
77.00716	0.2
80.82384	0.2
81.03448	0.5
83.05038	0.4
85.02422	0.4
85.02935	11.2
87.00856	3.3
90.37418	0.2
91.01877	1.0
92.10104	0.4
93.03436	15.0
99.04517	0.5
108.02200	0.3
109.02945	8.8
111.03833	0.2
111.04493	1.8
117.03428	0.4
121.02953	1.5
125.02438	0.5
126.15875	0.2
127.03990	3.3
129.01958	0.3
129.03458	1.0
130.04201	0.4
131.05031	2.4
132.08580	0.3
133.02985	0.3
135.04480	0.6
137.02383	0.2
143.05006	6.4
145.02927	3.9
146.03717	3.6
147.04510	5.6
151.00398	0.4
155.03473	1.0
157.02924	0.9
158.03706	0.5
159.04530	1.0
161.66614	0.3
167.28802	0.2
171.02962	0.5
173.02475	0.5
173.04504	4.2
175.03967	1.0
177.01907	0.4
181.06488	0.4
184.06334	0.3
185.02351	0.5
191.05598	100.0
192.05983	1.2
195.08051	0.5
204.05797	0.4
205.06612	1.3
207.08182	0.6
209.06075	1.4
211.07552	0.3
213.01927	0.6
217.06589	0.3
219.02931	1.0
220.05099	0.3
221.06059	0.4
222.06880	0.9
223.07654	4.6
228.56041	0.3
229.01422	6.0
232.05295	1.1
233.03943	0.2
233.06062	7.4
234.06963	1.7
235.07602	4.1
237.05548	8.1
249.05568	2.1
250.06313	4.2
251.07118	60.5
252.07507	2.2
253.08678	19.4
254.09018	0.4
255.03008	0.3
260.04730	0.3
261.05527	8.4
262.06308	2.0
269.08096	2.4
271.02338	1.8
277.04941	2.5
278.05835	6.6
279.06607	41.9
280.06927	0.6
281.04294	0.3
295.06067	1.7
297.07687	1.9
300.02921	1.9
301.03461	1.5
305.04471	1.0
323.05612	88.9
324.05991	1.5
339.05432	0.2
341.06647	1.9
423.33154	0.3
455.65790	0.3
459.33798	0.4
463.08789	1.5
471.12994	1.6
482.22174	0.3
493.47070	0.3
515.11926	87.1
516.12152	1.8
517.13483	0.5
754.51666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05016	0.8
92.10811	0.2
112.48032	0.1
205.15822	0.1
235.57098	0.1
369.28217	0.3
371.29419	0.2
377.28503	0.3
391.30176	0.2
393.31689	0.5
403.29852	0.2
405.31754	0.2
407.33215	0.6
421.31244	0.5
423.32669	1.0
425.34650	1.0
427.32199	1.7
437.30765	0.8
439.32376	0.5
441.33844	0.1
443.35355	1.1
455.32147	0.2
457.33377	0.2
467.31662	2.4
469.33194	15.3
470.33600	0.6
487.34286	100.0
488.34671	3.9
586.17871	0.1
853.03973	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	975.692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05023	0.1
90.11734	0.1
141.95947	0.1
150.02701	0.1
191.05562	0.8
218.76480	0.1
219.49057	0.1
353.12628	0.1
423.33047	0.4
469.33197	4.9
485.32794	0.3
486.33005	0.2
487.34274	100.0
488.34592	4.2
489.35672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05032	0.9
71.24352	0.5
76.46648	0.5
89.98264	0.6
91.49431	0.5
92.63922	0.6
114.23132	0.5
191.05638	4.8
306.75146	0.5
355.26187	0.6
379.30045	1.1
391.30020	2.7
409.31073	2.6
439.32556	0.9
441.29996	0.9
455.31949	1.0
457.33206	4.2
458.33365	1.1
471.30737	0.6
478.22299	0.6
483.31113	14.5
487.34375	3.4
488.34766	0.8
501.32239	100.0
502.32657	3.9
503.33612	1.0
510.78662	0.6
549.95105	0.7
917.47852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72917	1.8
71.01371	24.7
73.02951	2.6
78.95890	2.2
83.01411	2.3
83.04994	2.1
85.02939	9.7
87.00858	3.7
88.98820	2.0
89.02424	27.0
92.63596	2.0
95.01347	1.8
97.02919	9.5
99.00868	3.0
101.02427	22.8
109.06585	29.5
113.02447	10.8
116.92838	4.6
119.03472	4.3
125.02436	7.7
135.08086	2.8
136.05290	2.4
141.61069	1.9
161.04544	2.8
163.11266	21.4
181.12405	3.9
191.05579	4.1
207.08360	4.0
207.10255	100.0
221.06647	3.7
225.11324	39.7
235.08218	3.7
237.15273	2.2
277.21698	76.9
345.68488	2.2
362.96289	2.0
379.12509	4.2
382.06299	2.0
397.13586	40.8
415.14526	13.3
457.76923	2.3
605.24689	8.1
623.25739	3.1
865.46863	2.8
883.46930	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.48
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	22.5
74.40176	4.6
78.57000	5.8
89.02438	35.5
93.03488	7.3
99.94356	5.2
100.54552	5.8
101.02430	24.6
109.06598	22.1
111.08208	10.2
113.02452	7.8
125.02422	6.8
163.11244	26.4
181.12294	13.6
191.05556	25.0
197.11852	32.1
207.10281	82.3
209.11830	100.0
211.13432	8.7
225.11299	25.2
289.18201	27.2
307.19061	41.3
309.20630	39.1
397.13474	38.1
415.14676	11.3
437.30469	19.3
449.76404	6.3
455.31583	10.3
469.33295	8.8
485.33002	25.8
486.32968	22.2
487.34399	89.7
499.30573	79.5
501.32169	46.0
503.33151	7.2
844.66125	6.5
915.45862	57.9
980.16504	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	975.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.9
73.02950	2.5
76.07523	1.7
83.01385	2.1
83.05065	2.4
85.02948	3.6
86.00113	1.6
87.00872	2.5
88.98769	2.5
89.02433	18.1
96.65151	1.6
97.02930	8.6
101.02419	18.7
107.04996	2.8
109.06581	34.9
113.02448	7.3
119.03493	3.6
125.02416	3.6
135.08112	2.5
136.05359	1.7
161.04501	2.5
163.11288	23.4
179.05624	2.5
181.12344	7.5
189.09306	1.9
191.05656	2.2
203.71571	1.8
207.10260	100.0
207.91113	1.8
209.11827	2.5
221.06657	2.7
225.11316	62.9
235.08212	2.2
277.21701	49.4
281.13620	2.1
379.12506	6.3
397.13599	27.6
415.14539	10.4
600.58362	2.5
605.24243	4.0
623.25677	7.4
657.35974	1.9
759.54761	2.4
764.45691	1.9
772.05469	2.1
827.56451	1.8
883.46899	76.8
884.46655	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	973.282
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	4.1
72.99291	0.2
73.02947	1.5
83.01383	1.1
85.02953	2.1
85.03347	0.1
87.00893	0.3
89.02429	2.4
91.01908	0.2
93.03470	0.3
95.01384	0.3
99.00890	0.6
101.02428	2.8
107.01393	2.4
108.02193	0.9
109.02943	1.6
111.62891	0.2
113.02443	2.7
113.03169	0.2
119.03504	0.9
121.02937	1.7
123.04531	0.2
125.02435	0.8
126.92186	0.2
129.01926	0.1
131.03481	0.6
133.44754	0.1
135.00903	0.7
135.04518	0.6
143.03456	0.2
148.01685	0.9
149.02507	0.2
149.68367	0.2
151.00359	10.6
152.01064	0.2
159.03009	0.2
159.04469	0.2
161.04535	2.0
163.00337	1.7
163.50142	0.2
164.01112	0.3
165.01874	0.2
169.01396	0.6
173.04616	0.2
177.01955	0.3
178.98276	0.2
178.99835	5.8
179.01318	0.2
179.05602	0.9
187.04022	0.2
189.01927	0.8
190.02646	0.2
191.00017	0.2
191.03847	0.2
191.05614	2.0
199.03976	0.3
201.05614	0.4
211.04010	1.0
215.03529	0.3
216.04305	0.3
217.01425	0.8
219.03056	0.2
221.06700	1.7
226.02827	1.1
227.03491	2.0
228.04384	0.2
229.01334	0.2
229.05070	0.9
231.02982	0.3
239.03238	0.2
243.02969	7.7
244.03618	0.4
245.04541	1.4
254.02148	2.2
255.02980	22.2
256.03619	0.2
257.04388	0.2
263.07877	0.3
266.02332	0.2
266.14978	0.2
271.02472	47.4
272.03009	1.9
273.03922	1.2
283.02472	1.0
285.03848	0.2
299.01956	1.0
299.32904	0.2
300.02744	100.0
301.03510	37.1
302.03864	0.9
341.06656	1.1
423.18726	1.9
451.10449	0.7
463.08820	77.3
464.09268	1.9
465.19736	9.3
488.17410	0.2
499.08478	0.2
539.59406	0.2
928.03766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	60.7
73.02934	20.9
80.54581	4.3
83.01401	9.7
83.05053	4.9
85.02950	29.4
87.00884	6.4
89.02456	27.1
93.03455	7.6
99.00887	6.6
101.02444	50.3
113.02459	33.9
119.03432	5.2
135.04507	9.9
161.04570	17.5
191.05620	67.4
195.40536	4.1
217.01465	4.5
312.37482	4.2
361.25540	5.2
381.22989	35.2
399.23892	100.0
441.24951	81.7
451.28662	24.3
481.29471	9.0
499.30737	88.0
514.03119	4.6
721.27869	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	971.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83913	0.1
71.05010	2.1
106.16294	0.1
140.44946	0.1
309.22327	0.2
369.27866	0.8
375.30710	0.2
377.28461	1.6
391.30139	0.3
393.31796	2.0
400.72324	0.2
403.30014	0.9
405.31683	0.4
407.29568	0.9
419.29291	0.2
421.31174	0.6
423.32791	3.6
425.30560	2.6
437.30658	1.8
439.32178	0.8
441.33688	1.7
452.63739	0.2
453.30081	0.2
455.31625	1.0
465.30203	0.3
467.31656	18.2
468.32077	0.7
485.32739	100.0
486.33011	3.4
536.96387	0.2
748.18726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.7
71.01376	4.7
73.02928	0.4
73.86302	0.3
81.03422	2.5
83.05017	2.5
85.02932	1.5
87.00856	16.5
93.03436	100.0
94.03780	0.3
99.00844	2.1
99.04504	1.7
103.09351	0.3
107.04910	0.3
108.02116	0.6
109.02978	2.4
111.04508	14.7
113.02430	1.7
115.04021	0.4
117.03455	0.3
121.02927	2.6
122.03722	5.4
123.04459	0.7
125.02384	1.5
129.01901	1.8
132.02164	0.6
133.02936	2.2
134.03709	4.0
135.04512	10.8
136.01634	2.5
137.02417	4.7
139.00333	0.7
143.03474	0.5
143.04990	0.6
145.02908	0.5
146.03705	0.5
147.04488	0.4
149.02420	15.2
149.06075	3.5
150.03207	42.5
151.00305	0.7
151.03996	6.5
152.04727	1.3
153.01921	3.1
153.05455	0.5
154.02676	0.4
155.03499	3.7
159.04457	0.6
160.01636	0.4
161.02396	1.3
161.06012	0.4
162.03264	0.6
163.03984	0.5
164.04765	4.2
165.05539	41.2
166.02667	4.0
167.03427	1.5
173.04524	40.0
175.03928	1.6
177.01897	0.6
177.05566	0.7
179.03438	1.7
179.07118	2.2
180.04256	2.3
181.05049	4.9
187.03993	1.5
191.05600	14.5
192.05978	0.3
193.04955	0.5
195.06627	11.4
205.05054	2.2
211.04027	0.7
219.06680	0.3
220.07361	0.6
225.05408	0.4
227.03442	0.5
243.06667	0.5
255.03166	0.4
285.04001	0.8
313.79031	0.4
315.08676	0.7
353.08841	0.6
379.10529	3.6
387.14859	1.1
417.15564	2.2
449.14404	4.5
449.30215	0.4
450.14795	0.5
451.15649	0.4
467.15793	0.6
533.30914	0.5
535.16016	1.3
550.17957	0.5
553.15637	84.8
554.15900	1.7
564.20813	0.6
565.20795	5.9
595.21698	0.5
611.37189	0.3
613.22998	3.4
619.21667	0.4
713.25909	4.5
743.26807	3.0
761.28180	4.9
762.28027	1.5
773.28326	0.5
791.29706	1.3
809.29999	6.9
864.85510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
71.01369	32.6
71.01746	1.2
72.01723	0.8
72.99255	0.9
73.02938	12.2
73.72950	0.7
83.01370	6.5
85.02937	22.8
85.03417	1.2
87.00879	3.1
89.02441	11.4
93.03454	4.5
95.01385	3.8
97.02947	0.9
99.00888	4.6
101.02422	32.5
109.02928	1.0
111.00868	1.0
111.08121	1.5
113.02431	21.0
115.56454	0.7
119.03460	3.4
120.99625	1.3
125.02443	3.0
127.03935	0.9
137.02441	1.9
143.03436	1.7
159.03015	2.9
161.04526	14.6
165.12820	31.3
166.13216	1.5
171.13916	1.1
173.04565	1.2
179.05637	3.5
181.07152	3.0
183.13876	86.5
184.14252	6.3
191.05595	15.7
197.15556	1.0
207.13971	3.3
209.11827	2.9
225.14891	1.5
227.12881	100.0
228.13188	6.3
244.34756	0.9
251.12782	6.3
253.55811	0.9
269.14063	1.0
293.13980	1.7
315.18280	7.5
315.54117	0.8
331.17630	4.4
333.19232	18.6
371.17081	1.1
373.18689	7.6
374.19037	1.6
375.20233	51.1
389.18182	52.7
390.18604	6.6
391.11795	1.1
391.19571	7.3
467.15607	3.8
507.03976	1.0
591.25116	0.8
708.52728	1.0
786.90186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	23.8
73.02940	3.9
83.01398	4.0
85.02970	11.6
87.00906	3.9
89.02429	31.2
92.63743	2.5
97.02946	2.9
101.02435	23.7
108.90246	2.2
109.19514	2.1
113.02456	15.2
119.03468	9.7
125.02438	14.2
130.85027	2.2
142.00500	2.5
143.03511	3.0
161.04567	4.9
163.42293	2.0
179.05481	2.7
235.08224	4.8
245.06784	2.1
249.18567	100.0
277.21707	91.6
278.64658	2.3
379.12390	20.1
397.13544	56.9
415.14636	11.2
592.00464	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	969.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.5
71.01366	42.1
71.01740	1.7
73.02930	13.7
82.19559	0.8
83.01373	5.2
83.94407	0.9
85.02940	23.8
87.00832	1.8
89.02404	9.9
93.03445	5.3
95.01376	3.9
99.00861	4.8
101.02413	36.7
113.02427	24.1
114.59698	1.0
119.03471	4.1
125.02435	1.6
135.04482	2.2
137.02405	2.2
143.03490	2.0
151.00334	1.1
159.02985	5.4
161.04535	23.4
165.05646	1.1
165.12819	31.8
173.04558	2.3
177.02013	0.9
179.05524	4.5
183.13873	86.7
184.14151	1.0
191.05565	16.4
197.15424	1.3
207.13870	4.3
209.11752	2.1
210.03027	0.9
225.14830	1.4
227.12869	100.0
251.12801	9.7
255.02840	3.0
265.14389	1.1
269.13937	1.1
271.02426	6.8
293.13910	1.9
300.02789	11.2
301.03516	4.2
329.16074	3.9
331.17624	27.6
353.16376	1.0
361.74905	1.0
371.16864	1.5
373.13907	1.7
373.18692	46.1
374.18677	1.0
389.18152	70.1
417.17722	1.9
467.15616	4.6
505.09851	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	969.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	11.7
69.03445	3.4
71.01370	5.5
71.04997	0.1
73.02924	0.5
81.03442	2.5
83.01389	0.2
83.05008	2.2
85.02940	1.6
87.00857	19.4
89.02431	0.3
90.15955	0.1
92.10171	0.2
93.03436	100.0
94.03761	0.6
95.01324	0.1
97.02911	0.2
97.06556	0.2
97.37861	0.1
99.00851	2.0
99.04503	1.8
101.02425	0.7
105.03436	0.8
108.02144	0.2
109.02941	0.8
109.14009	0.1
111.04504	15.7
113.02427	2.3
115.03967	0.9
117.03438	0.7
117.04211	0.1
121.02909	0.2
121.84644	0.1
123.04496	0.2
124.01633	0.2
125.02403	0.6
127.03951	0.5
129.01921	2.9
133.02934	3.2
134.03709	7.3
135.04500	6.2
137.02425	1.1
143.03473	1.1
150.03210	0.5
151.03966	0.6
155.03502	3.4
157.60658	0.2
160.01643	1.3
161.02426	0.9
162.03189	1.8
173.04530	41.8
174.04880	0.3
177.01863	0.3
178.02710	0.2
179.03519	1.1
187.07646	0.3
191.05605	9.0
192.06017	0.2
196.29358	0.1
231.10240	6.3
257.08127	0.3
275.09229	7.5
285.04184	1.1
300.45135	0.1
308.08948	0.3
351.07141	0.5
352.08044	0.6
399.23941	0.6
417.24896	0.5
449.14532	95.3
450.14908	3.1
459.26129	0.3
615.21722	0.1
651.56787	0.1
698.24829	0.2
761.61560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13493	0.2
71.01349	0.1
83.01371	0.2
89.02441	0.2
92.10060	0.3
101.02441	0.2
107.01376	1.9
107.02003	0.2
108.02188	0.9
109.02956	0.9
110.13623	0.1
113.02425	0.2
121.02916	1.3
125.02477	0.2
133.02971	0.3
135.00876	0.4
147.04478	0.2
148.01639	1.2
151.00345	7.8
152.00871	0.2
161.02414	0.3
163.00398	1.7
163.04021	0.2
164.01117	0.6
169.01443	0.3
173.04536	0.2
178.99821	3.7
183.04315	0.2
187.04045	0.2
190.99774	0.2
191.03810	0.2
191.05579	1.3
191.74577	0.2
192.00604	0.2
199.03996	0.7
201.05634	0.3
203.03595	0.2
211.03983	0.8
215.03566	0.4
216.04204	0.3
218.59961	0.2
226.02696	0.9
227.03482	2.9
228.04140	0.2
229.05127	0.4
243.02968	7.1
244.03528	0.3
245.04536	1.1
254.02243	1.9
255.02975	24.3
256.03427	0.7
271.02460	48.0
272.03140	2.2
273.03931	0.4
283.02505	0.8
284.03317	0.3
285.04019	1.0
289.76651	0.2
297.03934	0.7
298.04709	0.3
299.01984	1.7
299.05585	0.8
300.02744	100.0
301.03503	27.0
302.04089	0.2
327.05075	4.3
357.06073	0.8
404.66772	0.2
417.08203	2.8
445.07684	0.2
445.20886	0.3
463.08682	1.7
505.09888	70.3
506.09839	1.7
756.36438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01409	0.5
88.27475	0.1
90.22760	0.1
107.01394	2.2
108.02168	1.1
109.02962	1.1
121.02937	1.5
123.00928	0.1
124.01743	0.1
125.02438	0.2
133.02960	0.1
134.86983	0.1
135.00864	0.7
147.00954	0.1
148.01617	1.2
149.02426	0.5
151.00360	9.5
153.01891	0.1
159.04553	0.2
163.00356	2.7
163.04015	0.1
164.01102	0.5
165.02057	0.1
167.05057	0.2
169.01418	0.4
174.03178	0.1
175.03947	0.2
178.99840	4.7
179.01335	0.2
183.04474	0.1
187.04016	0.4
190.99826	0.2
191.05560	0.4
192.00708	0.4
193.01404	0.1
199.04001	0.6
200.04854	0.1
201.05620	0.1
203.03577	0.2
211.03972	1.0
215.03510	0.7
216.04240	0.2
216.63918	0.1
226.02782	1.1
227.03487	2.7
229.01355	0.2
229.05016	0.9
239.03572	0.5
240.04134	0.1
242.01970	0.1
243.02969	8.8
244.03600	0.2
245.04468	1.5
254.02185	1.8
255.02986	26.8
256.03516	0.6
271.02472	51.9
272.03137	2.2
273.03995	0.7
283.02371	1.0
284.03357	0.1
285.03918	0.2
297.03976	0.3
298.04654	0.1
299.02087	1.4
299.05035	0.2
300.02756	100.0
301.03510	30.7
302.03860	0.5
327.05002	0.5
343.04498	0.2
357.06329	0.5
417.08206	0.2
463.08917	1.8
505.09891	78.0
506.10141	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	963.7291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06426	0.4
71.05027	2.5
83.84725	0.5
85.02939	0.6
93.03457	0.7
101.43278	0.6
123.85679	0.5
137.27974	0.6
146.16533	0.5
173.04552	0.6
191.05617	8.8
351.55609	0.7
411.32428	0.8
443.35498	5.4
457.33246	92.3
458.33609	4.8
486.33069	0.7
487.34317	100.0
488.34897	5.1
504.19879	0.6
559.56793	0.7
788.34979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	1.4
69.03455	0.4
71.01385	1.8
72.16283	0.3
79.15421	0.2
81.03439	0.3
83.05035	0.3
85.02933	10.0
85.03407	0.4
87.00864	4.2
90.23338	0.2
93.03436	16.4
99.00856	0.3
99.04513	0.4
101.02443	0.3
101.56036	0.3
108.02159	0.5
109.02932	4.9
111.04508	3.6
113.02421	0.4
119.04991	2.5
125.02415	0.4
127.03995	2.5
129.01953	0.3
130.04295	0.3
131.05002	1.4
133.02969	0.4
135.04478	0.4
137.02477	0.4
137.47084	0.3
145.02951	8.3
146.03726	9.9
146.04874	0.4
147.04491	10.8
148.05273	3.2
149.02411	0.5
149.06094	0.6
155.03476	0.5
157.02919	1.6
158.03751	0.3
161.02448	1.6
171.03011	0.4
173.04501	5.2
174.03185	2.6
175.03975	16.8
189.05441	0.3
191.05597	100.0
192.05984	3.4
193.06131	0.5
203.03490	1.2
218.02196	16.5
219.02975	98.9
220.03249	0.7
223.07605	1.2
227.88756	0.3
229.01433	0.6
233.06133	0.5
237.05585	1.6
238.05927	0.5
244.65289	0.3
249.05551	0.3
250.06306	0.5
251.07126	12.2
252.07539	3.0
253.08760	2.1
254.08977	0.4
255.10262	4.3
261.05521	0.7
262.06094	0.6
269.08286	0.5
269.13882	0.4
278.05768	0.5
279.06631	7.4
280.06931	1.8
281.07596	0.6
284.03265	1.9
285.04022	3.6
287.05048	0.3
299.09164	0.7
300.02747	0.3
321.04300	0.5
323.05600	18.3
324.05908	5.4
325.07153	34.5
326.07391	0.5
447.09323	2.0
449.20499	0.4
515.11896	6.8
516.12299	2.8
517.13470	59.4
518.13757	1.8
547.14471	1.5
697.09363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.7
71.01382	0.7
72.13370	0.4
72.82194	0.4
85.02934	11.2
87.00858	4.5
93.03439	11.7
96.96002	1.0
109.02933	10.3
111.04508	2.8
113.02427	0.6
119.05012	0.6
121.02930	2.7
121.71004	0.5
123.04470	0.5
125.02452	0.9
127.03951	3.2
130.04251	0.8
131.05025	4.6
135.04512	0.9
137.02438	0.9
143.05020	5.0
145.02953	3.7
146.03728	3.5
147.04486	5.5
147.40808	0.5
151.00330	0.6
152.88307	0.5
157.02907	0.5
158.03644	0.5
159.04472	0.9
161.02412	2.3
163.00377	0.4
171.03011	0.4
173.04550	4.7
177.01929	1.0
187.07620	2.7
191.05600	100.0
192.05963	2.3
195.06546	0.9
195.08159	0.6
205.06578	0.8
207.08197	0.7
209.05983	0.8
211.07666	0.6
215.07129	0.6
219.02933	0.9
222.06790	0.6
223.07607	3.0
229.01492	3.2
229.08746	0.6
233.05994	4.1
234.06822	0.7
235.07690	3.6
237.05573	4.7
243.03006	0.8
249.05493	0.6
250.06296	3.0
251.07127	43.8
252.07567	0.9
253.08679	33.2
255.03044	1.8
257.08105	0.9
261.05511	4.2
262.06311	1.9
269.08173	2.1
271.02505	5.4
277.04971	0.7
278.05832	3.5
279.06619	32.4
285.04041	2.2
295.06110	1.8
297.07520	0.9
300.02753	7.9
301.03391	2.9
305.04440	0.8
323.05624	54.6
324.05917	0.7
339.05026	0.5
341.06616	1.1
369.30649	0.5
471.13370	0.6
505.09882	3.8
510.31998	0.4
515.11963	82.6
516.12280	2.5
521.80957	0.5
612.92529	0.5
615.44476	0.5
905.24036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6835
Annotation	Unknow
Peak:m/z	Relative Intensity
78.24857	0.6
78.95908	0.6
79.70746	0.5
80.53992	0.5
96.95964	0.6
191.05554	2.4
277.21762	0.6
279.23282	7.2
280.23611	3.4
321.17651	0.6
471.34802	83.5
472.35144	2.9
476.27832	3.1
477.28320	2.7
593.30212	0.7
714.90894	0.6
965.68500	100.0
966.68518	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	965.6845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32803	0.3
78.91872	4.8
78.95912	0.4
92.10122	1.9
101.38758	0.3
130.54134	0.3
150.03001	0.4
165.99023	0.3
191.05548	1.9
297.22440	0.4
393.31512	1.6
423.32736	0.8
434.07239	0.4
471.34778	100.0
472.35110	5.2
558.77686	0.4
735.18402	0.4
965.68518	69.6
966.68701	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	965.6845
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32803	0.3
78.91872	4.8
78.95912	0.4
92.10122	1.9
101.38758	0.3
130.54134	0.3
150.03001	0.4
165.99023	0.3
191.05548	1.9
297.22440	0.4
393.31512	1.6
423.32736	0.8
434.07239	0.4
471.34778	100.0
472.35110	5.2
558.77686	0.4
735.18402	0.4
965.68518	69.6
966.68701	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	963.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76923	0.2
71.01391	0.7
73.61744	0.1
77.19920	0.2
79.35682	0.1
83.01392	0.3
85.02944	1.3
87.00893	0.2
89.02447	0.7
92.63931	0.1
93.03450	0.7
95.01409	0.2
96.95972	0.3
99.00853	0.2
101.02447	0.3
107.01369	1.6
108.02185	0.7
109.02961	0.3
111.04508	0.2
113.02467	0.6
118.27160	0.1
121.02951	0.8
124.01666	0.2
125.02420	0.3
127.03962	0.2
135.00922	0.3
135.04509	1.0
139.04149	0.2
148.01654	0.9
151.00349	6.7
161.02496	0.2
163.00365	0.9
164.01149	0.3
169.01419	0.3
173.04500	0.4
178.99855	4.2
191.05600	18.4
199.04030	0.7
212.83441	0.1
215.03545	0.3
216.04361	0.3
226.02756	1.0
227.03493	2.1
243.02986	8.5
244.03554	0.2
254.02179	1.8
255.02980	21.3
256.03293	0.6
267.70578	0.2
271.02475	50.6
272.03085	2.3
272.07785	0.2
273.04037	0.6
287.05688	0.4
299.01965	3.0
300.02747	100.0
301.03436	10.6
337.09262	2.5
445.07675	0.7
463.08820	1.2
625.14105	61.3
626.14569	2.4
764.56079	0.2
814.11499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	3.6
69.03439	0.7
71.01368	2.0
73.02921	0.2
79.84598	0.1
81.03461	1.0
83.05027	0.6
85.02937	6.4
87.00855	8.9
92.63432	0.2
93.03435	29.0
93.54407	0.1
96.95984	0.2
97.73818	0.1
99.00822	0.2
99.04500	0.3
106.09774	0.1
108.02162	0.3
109.02937	25.9
111.04504	5.7
115.04014	0.3
125.02452	0.2
127.03986	2.2
129.01927	0.7
135.04504	7.6
137.02403	0.6
145.02939	13.3
146.03714	0.7
151.04007	1.0
155.03525	1.9
158.03688	0.2
159.04471	2.4
161.02422	5.4
161.06055	8.2
171.02965	0.6
171.04338	0.1
173.04517	10.9
174.29553	0.1
175.03954	0.3
179.01929	0.2
179.03482	7.7
185.02379	0.7
186.03128	1.1
187.03986	13.7
188.04382	0.3
191.05597	81.0
192.05881	0.9
205.05054	1.2
209.06035	0.3
211.04015	0.3
213.01939	4.4
213.05341	0.2
214.02728	2.4
215.03490	0.8
225.05586	0.6
227.07063	0.1
231.02921	0.8
233.06078	0.3
235.03899	0.2
237.05559	1.4
239.03481	3.2
240.04311	1.6
251.03438	0.3
251.07040	0.6
253.05089	2.7
253.08632	1.1
255.06601	4.2
261.05591	0.2
263.03433	0.6
264.04196	0.3
268.03711	0.3
269.08209	0.2
277.05148	0.5
279.02957	5.8
279.06531	1.4
280.03702	1.6
281.04535	13.8
294.05017	0.2
295.05969	0.3
297.07639	9.5
299.05579	0.8
305.04507	2.2
321.03928	0.2
322.04843	0.2
323.05600	13.3
324.06070	0.2
327.05032	0.2
341.02518	0.3
341.06656	9.6
447.09338	0.2
515.11920	100.0
516.12335	2.8
727.93152	0.2
956.17169	0.2
957.39459	0.2
957.58771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6968
Annotation	Unknow
Peak:m/z	Relative Intensity
77.90240	0.1
112.20721	0.1
177.01842	0.2
191.05666	0.3
393.37732	0.2
471.34781	100.0
472.35144	3.6
473.35538	0.4
485.32651	2.1
486.32983	3.5
487.33310	1.6
590.25806	0.2
959.69421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.699
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65770	0.9
69.03445	4.3
71.01388	4.8
72.59969	1.0
76.55923	1.0
81.22900	1.1
83.05029	2.7
84.52130	0.9
85.02923	1.1
89.02428	5.2
99.73900	1.0
101.02444	1.7
111.08115	1.2
113.02452	1.3
113.29137	1.0
136.71664	1.0
185.89288	1.1
191.05574	5.3
195.13943	1.7
203.70047	1.0
209.11836	35.5
227.12888	1.9
233.94284	1.0
244.29007	1.2
280.34766	1.2
291.16702	1.3
291.19678	23.9
311.91629	1.2
377.28397	1.8
391.30090	13.3
397.13568	8.1
397.18021	1.2
405.31705	1.2
407.33200	100.0
408.33582	2.3
409.34790	10.2
423.32297	1.9
427.35941	12.1
441.33725	6.8
453.33701	11.5
471.34882	53.6
473.32745	1.9
485.32639	2.6
487.34244	23.8
488.34555	1.7
607.26147	1.5
684.46606	1.2
769.61810	1.4
789.44684	1.1
791.96021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6603
Annotation	Unknow
Peak:m/z	Relative Intensity
79.80683	0.4
92.10805	1.3
93.03432	0.5
112.10917	0.4
146.18019	0.4
153.45830	0.3
158.84393	0.4
183.44221	0.4
191.05591	3.6
411.32639	3.2
429.33783	1.6
455.31729	1.6
473.32648	36.6
474.33234	1.7
485.32721	100.0
486.33176	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	959.6966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49445	0.4
68.88124	0.5
71.05010	0.9
71.07723	0.4
93.03442	0.6
121.68699	0.5
166.66925	0.5
191.05591	3.9
208.96149	0.4
275.81940	0.6
377.28641	0.8
391.29944	0.6
393.31650	1.0
408.33829	0.5
413.34262	1.1
423.33032	2.8
425.30569	1.1
437.30563	1.0
439.32132	0.6
441.33597	0.6
453.33521	2.9
454.28442	0.5
454.33951	3.4
455.32980	0.6
467.31699	11.9
468.32516	0.7
469.32693	0.6
471.35028	8.3
472.35275	13.2
473.36356	100.0
474.36624	2.0
485.32709	76.4
486.26852	0.7
486.33194	11.1
487.33368	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	959.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	20.9
73.02953	3.3
81.03404	3.3
83.05035	2.7
84.97274	2.2
85.02956	4.6
87.00838	3.5
89.02418	18.9
93.03463	3.6
97.02979	8.8
99.00864	3.6
99.76885	2.9
101.02439	16.7
101.03042	2.3
102.34134	2.4
109.06572	31.8
113.02445	4.2
119.03461	3.2
121.06554	2.6
125.02419	10.1
125.09755	2.8
140.68843	2.5
152.08018	2.6
158.93921	2.4
161.04457	3.1
163.11264	19.4
179.05545	3.4
181.12376	3.7
191.05681	20.0
195.13937	5.1
204.13864	2.2
207.10251	100.0
209.11929	3.9
211.08226	2.2
218.66861	2.4
223.13397	12.7
225.11290	55.4
257.33685	3.1
263.23035	2.5
271.91205	2.7
275.20157	4.0
293.21234	78.1
299.15106	3.1
309.20627	3.3
310.44119	2.8
379.12128	3.1
397.13470	29.4
415.14603	18.2
487.34204	23.8
517.88959	2.7
565.45270	3.0
605.24652	3.9
621.28265	2.5
623.25928	10.2
899.46484	80.8
900.46393	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	957.6809
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02944	1.2
103.24051	0.5
104.05625	0.5
147.01819	0.5
160.60541	0.5
191.05646	1.1
277.21872	0.8
325.05823	0.5
393.31699	0.5
403.30060	0.8
405.31802	0.6
411.32809	0.9
453.33865	1.2
467.31689	5.1
471.34778	100.0
472.35098	2.8
473.35452	0.7
483.30978	0.6
484.31155	1.6
485.32712	57.5
486.32828	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	957.6823
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77531	0.3
70.03901	0.2
71.01357	0.3
71.05027	1.6
89.02426	0.3
93.03450	0.7
97.06589	1.5
116.92841	1.3
137.09680	0.3
141.51003	0.3
147.03485	0.4
191.05615	4.2
260.91513	0.4
277.21780	0.4
331.51764	0.4
389.28412	0.4
391.30200	2.8
393.31693	0.6
397.13434	0.4
405.31613	2.1
407.33224	6.2
409.31015	0.5
423.32849	1.2
425.30060	0.5
425.35016	0.5
427.32257	1.3
437.30841	0.7
439.32086	0.6
441.33951	2.3
451.32196	6.3
453.33789	24.5
454.33936	0.8
455.31674	0.5
467.31696	10.4
471.34869	100.0
472.35284	2.0
485.32739	65.2
486.33145	1.7
714.29730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01585	0.7
67.01874	5.4
69.03448	1.2
71.01378	3.3
74.44584	0.7
78.95870	0.9
83.05042	1.1
85.02960	2.6
86.00011	0.7
87.00855	7.3
93.03447	36.0
96.51435	0.7
96.96008	0.9
97.70669	0.7
99.00829	0.8
104.04469	0.8
108.02151	3.7
109.02928	1.4
110.41643	0.7
111.04512	5.6
116.92859	1.0
121.02936	3.0
122.03754	1.0
122.84254	0.7
124.01640	8.8
125.02409	5.3
126.03185	2.8
127.03905	0.9
129.01904	1.1
133.02954	5.2
134.03712	16.1
135.04510	100.0
136.04778	6.3
137.02408	3.7
150.03200	6.7
151.03995	18.0
152.04378	1.1
155.03450	1.3
160.01741	0.7
161.02428	3.5
163.03955	0.9
173.04512	10.9
177.01854	1.0
179.03477	29.5
179.04990	1.4
180.04100	3.5
181.05013	0.8
191.05594	25.0
191.07170	1.4
192.05940	1.6
218.86992	0.7
243.22795	0.8
245.07893	0.8
250.11540	0.8
257.08078	3.3
275.09134	2.9
307.08188	6.1
308.09009	12.0
352.07962	35.1
353.08356	4.2
396.44540	0.8
449.14560	39.3
449.95486	0.8
450.14850	6.4
568.85461	0.7
612.14465	0.8
616.33313	0.8
756.07019	0.8
822.89081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	0.8
69.03450	4.3
71.01369	17.6
73.02930	3.4
81.03432	0.8
83.01366	2.8
85.02935	5.7
85.06633	0.8
87.00859	3.3
88.18980	0.8
89.02427	26.0
95.01359	0.9
97.02953	3.7
101.02416	13.8
106.96945	0.8
111.04526	0.9
111.08178	0.9
113.02437	8.9
116.92869	1.0
119.03438	6.9
125.02388	6.8
142.82614	0.8
143.03491	1.5
161.04550	4.4
167.10748	4.4
171.10280	3.7
179.05569	2.0
179.14380	6.1
191.05586	6.7
193.91292	0.9
195.13898	18.5
197.79242	0.9
199.09703	1.3
201.11247	1.7
205.12308	8.1
207.10165	1.8
209.11824	3.4
221.06586	1.1
223.13387	66.2
225.11267	3.6
228.13580	1.7
235.08292	3.9
253.09175	1.8
256.13144	1.8
275.20157	7.6
277.21701	5.4
293.21228	100.0
294.21448	3.5
305.08823	1.6
338.55804	0.9
379.12488	3.4
397.13498	32.0
415.14526	11.6
453.33762	4.6
471.34851	15.4
482.93549	0.9
485.32706	10.4
603.26520	7.4
621.27722	14.6
632.97412	1.0
673.34186	4.0
691.35327	3.9
897.48438	10.6
930.18280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.6668
Annotation	Unknow
Peak:m/z	Relative Intensity
76.36005	0.4
76.55501	0.4
79.66092	0.4
83.05013	6.0
85.03008	0.5
93.03431	0.5
102.68797	0.5
123.08147	0.6
148.37152	0.4
191.05560	5.0
197.49901	0.5
208.40617	0.4
215.74063	0.4
325.25406	2.1
355.26428	4.5
369.27960	2.3
375.26956	1.8
391.30032	2.7
401.28891	0.6
411.29068	2.1
419.30087	0.6
421.31100	5.8
423.33212	0.8
425.34125	0.8
435.28799	1.8
439.32211	2.6
453.30222	4.4
465.30096	22.3
471.35089	53.5
483.31152	100.0
484.31421	3.9
640.17407	0.5
861.84821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01905	0.8
69.03466	1.3
71.01369	61.5
72.01716	0.5
72.99295	1.3
73.02933	20.0
73.40398	0.4
74.88435	0.5
75.00860	0.8
75.31361	0.5
81.03443	0.6
83.01378	11.5
85.02937	27.7
87.00854	5.4
87.04494	6.7
89.02431	41.8
93.03432	5.5
94.03802	0.9
95.01379	3.4
97.02943	2.3
99.00861	5.7
101.02425	57.7
101.06066	12.0
111.00887	1.0
112.01659	0.7
113.02436	32.1
116.01247	0.6
119.03471	14.2
122.44767	0.6
125.02412	2.0
129.01883	0.6
131.03496	2.2
133.02966	1.2
135.04495	0.8
141.01921	0.6
143.03438	4.1
149.04567	2.0
159.02975	3.2
161.04553	15.0
169.12296	0.5
173.04530	2.9
177.01898	12.5
179.05592	3.4
179.14349	0.8
191.05603	14.8
192.05968	0.6
203.90166	0.5
255.19640	3.2
271.81088	0.6
293.79416	0.6
297.20703	2.8
303.16525	0.5
346.55402	0.5
351.21686	1.2
399.23853	96.7
400.24399	1.1
417.24939	64.3
418.25250	1.3
449.14468	1.8
450.15039	1.0
453.24637	0.7
459.26010	100.0
460.26202	3.0
507.18924	4.2
565.70087	0.7
616.92645	0.6
628.49634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	14.9
73.02952	1.2
78.95905	1.0
81.03461	1.7
83.01385	1.9
83.05034	3.2
84.02177	0.8
85.02962	4.1
85.74284	0.9
87.00882	4.5
89.02429	18.6
95.01358	0.9
97.02946	1.3
101.02434	16.6
113.02444	7.8
114.81683	0.9
116.92785	1.0
119.03474	5.5
121.35273	0.9
125.02431	7.0
143.03522	1.2
161.04417	3.0
163.11237	4.3
165.12857	1.0
166.08366	0.9
179.05637	3.7
209.11832	100.0
217.07106	1.2
223.28938	0.9
227.12894	9.0
235.08200	4.7
237.14809	1.1
255.23293	67.3
260.79401	1.0
277.21802	0.9
287.07574	1.0
288.03812	0.9
305.08691	1.1
379.12454	11.3
397.13538	30.6
399.33282	0.9
415.14493	6.9
435.13580	0.9
518.55011	0.9
589.25061	4.4
607.26611	3.3
635.36035	4.5
653.37952	7.5
685.91235	0.9
845.49805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	19.8
73.02930	2.7
74.62176	2.2
81.36505	2.3
85.02965	5.1
87.00874	3.9
87.08285	2.0
87.98193	1.9
89.02457	24.9
92.10870	8.8
97.02926	13.2
101.02439	19.2
109.06591	23.5
113.02431	12.6
116.92844	9.6
119.03513	3.8
125.02417	2.7
143.03513	3.0
163.11243	17.6
181.12254	3.0
207.10251	100.0
225.11346	34.6
235.08170	3.8
255.23267	78.6
259.56439	2.5
397.13504	31.9
414.38373	2.6
415.14514	5.3
448.73758	2.5
613.23810	2.5
653.37750	4.3
861.48486	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	28.4
73.02930	3.8
81.03471	3.4
83.01373	4.8
85.02962	7.1
87.00858	6.9
89.02422	45.8
90.79203	3.4
92.10113	7.9
99.00864	3.8
101.02425	28.5
113.02399	4.7
119.03482	14.5
125.02404	25.2
136.98706	3.5
159.76704	4.4
161.04562	6.1
163.11275	14.9
168.49838	4.6
171.10242	99.5
179.05574	8.4
191.05563	42.6
207.10210	22.9
222.34583	4.1
225.11339	79.4
277.21695	100.0
281.63498	4.1
379.12518	33.5
397.13489	67.9
415.14404	17.0
443.67853	4.3
473.72412	4.2
551.23511	18.0
569.24353	20.6
605.24390	6.5
623.25647	17.1
657.35358	7.2
675.34241	4.7
883.47095	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.49
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	5.3
67.71091	0.2
69.03453	1.1
71.01376	2.2
72.56905	0.2
76.56310	0.2
81.03450	1.0
83.01373	0.2
83.05034	1.0
84.93228	0.2
85.02949	1.9
87.00868	7.4
93.03446	35.4
97.02950	0.3
97.06596	0.4
99.00897	0.9
99.04520	0.4
106.04262	0.2
107.05045	0.2
108.02168	2.8
109.02941	1.6
111.00845	0.9
111.04514	5.4
113.02458	1.1
115.03979	0.3
121.02954	2.7
122.03730	1.5
123.04508	0.2
124.01639	8.2
125.02428	4.0
126.03239	2.2
127.04004	1.2
129.01924	1.8
132.02182	0.4
133.02934	4.3
134.02930	0.3
134.03728	16.2
135.04507	100.0
136.05325	2.6
137.02429	3.1
139.04065	0.3
143.03520	0.2
146.05873	0.3
149.02469	0.2
149.05995	0.3
150.03206	5.0
151.03995	16.5
153.01927	0.3
154.02678	0.2
155.03470	1.2
160.01627	1.7
161.02435	3.2
162.03197	1.0
163.03960	0.3
167.03468	1.0
173.04523	10.0
177.01871	1.7
177.05547	0.3
178.02675	1.4
179.03482	28.8
180.04292	3.2
181.05040	0.4
187.07660	0.3
189.05548	0.4
191.05603	21.1
194.02168	1.1
205.05125	0.2
257.08191	4.3
257.10663	0.3
275.09241	3.1
290.07922	1.2
306.07455	0.3
307.08243	6.8
308.09009	13.0
323.07639	0.8
351.07312	1.2
352.07993	39.3
353.08542	0.8
367.80054	0.2
431.13419	0.3
449.14523	46.5
450.14978	1.0
644.70032	0.2
919.01300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01873	3.5
69.03445	1.1
71.01366	14.1
71.01740	0.7
72.99303	0.5
73.02929	3.8
77.73498	0.3
81.03458	1.2
82.83876	0.3
83.01377	2.2
83.05009	0.5
85.02934	10.5
85.03412	0.4
87.00859	8.6
87.04507	1.6
89.02422	6.7
93.03432	28.6
95.01378	1.5
96.95986	0.3
97.02902	1.1
99.00869	2.3
99.04518	0.6
101.01750	0.4
101.02417	12.5
101.06056	2.5
108.02153	0.6
109.02930	0.7
111.00876	0.6
111.04498	5.5
112.64774	0.3
113.02422	8.0
117.03463	1.9
119.03490	3.1
121.02919	1.1
121.32013	0.3
123.04526	0.3
124.01614	2.3
125.02381	2.1
127.03961	2.2
129.01892	0.5
129.74649	0.3
132.02176	2.4
133.02919	2.1
134.03700	5.6
135.04503	29.5
136.05305	0.4
137.02365	2.2
143.03488	1.2
150.03178	0.7
151.04022	4.8
155.03468	1.4
159.02966	0.4
160.01639	11.5
161.02357	1.2
161.04498	3.7
162.03165	2.5
166.29951	0.3
171.03006	0.6
173.04530	11.4
177.01950	1.3
178.02635	1.4
179.03487	7.7
179.05583	1.1
187.07603	0.7
189.01935	0.4
191.05591	100.0
192.05951	1.1
215.05556	0.5
243.85791	0.3
255.19629	1.3
257.08105	3.4
273.06802	0.3
275.06586	0.4
275.09283	3.0
285.03998	0.3
307.08240	0.5
308.09076	1.9
351.07169	2.2
351.21555	0.4
352.08078	3.7
355.16843	0.3
357.00198	0.3
381.22876	3.4
399.23853	31.9
400.24307	0.4
417.24875	20.6
449.14499	35.3
450.14786	0.7
459.19519	0.6
459.26001	16.2
460.26563	0.4
663.18054	0.4
693.10510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76714	0.1
67.01894	0.1
71.01379	0.5
73.02943	0.9
80.28009	0.1
85.02940	0.8
87.00844	0.1
87.04501	3.7
93.03440	1.4
96.59483	0.1
101.02402	0.2
109.02955	0.2
123.04498	1.0
125.02415	0.1
133.02968	0.1
134.03746	0.2
135.04515	0.2
143.08638	0.2
151.04039	0.2
161.02402	0.1
166.80232	0.1
173.04510	0.5
177.01973	0.2
179.03416	0.2
183.11711	0.2
191.05595	2.7
285.04037	0.9
309.22208	0.1
311.23691	0.3
327.23230	0.2
339.23193	0.2
341.24893	1.7
343.22900	0.2
353.24963	0.2
355.22714	2.9
355.26532	0.8
359.23752	0.6
367.26392	0.5
373.23807	24.9
374.24103	0.7
375.27087	1.2
377.24713	0.6
383.25970	0.3
385.27551	2.1
386.27609	0.1
387.26837	0.8
389.24878	0.8
393.28040	0.9
395.25815	0.2
397.24103	0.2
403.24902	6.7
404.25391	0.2
405.27939	6.4
405.33221	0.3
406.28513	0.2
407.25909	1.8
409.27444	0.2
411.28870	0.6
413.26923	2.3
415.28458	0.3
419.25916	0.2
421.27606	0.8
423.28986	3.5
429.29965	0.7
435.28873	0.9
437.26883	0.3
439.28616	0.3
441.30551	1.2
443.27927	3.2
445.25964	0.1
449.14523	0.2
453.29947	0.2
455.28134	0.4
457.25125	0.2
459.31293	1.0
467.28006	0.7
471.31476	0.2
473.29071	19.8
474.29303	0.9
475.26721	0.2
481.17349	0.2
485.28891	0.7
489.32193	0.5
503.30148	41.1
504.30643	1.5
515.30121	0.7
533.31189	100.0
534.31537	3.7
668.98920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02451	16.6
91.83434	8.3
109.06589	11.5
116.48936	7.2
119.03564	8.8
141.83302	8.1
163.11205	13.2
191.05630	48.5
197.11908	12.1
207.10287	49.5
209.11780	57.6
225.11322	18.6
289.17905	8.6
307.19150	19.6
309.20673	37.8
328.92282	8.7
333.55356	8.8
380.39853	8.6
397.13480	55.3
623.25952	15.5
667.11633	9.8
778.10297	11.0
897.45160	11.6
915.46014	85.0
951.42493	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	951.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.4
69.03448	1.5
71.01371	68.0
71.04993	0.4
72.15353	0.3
72.99295	2.8
73.02934	28.7
75.00859	5.0
78.21570	0.3
78.32529	0.3
81.03444	0.5
83.01377	11.4
83.01849	0.6
83.05002	0.4
85.02940	27.8
86.00087	0.5
87.00873	5.0
87.04504	6.4
89.02428	45.0
93.03439	4.1
95.01371	4.8
97.02920	1.9
99.00862	8.7
101.02424	60.4
101.05459	0.6
101.06062	9.4
109.02966	0.4
111.00883	0.8
111.04508	0.5
112.01643	1.4
113.02437	34.6
115.03975	0.6
119.03481	16.3
125.02425	4.0
127.03997	0.5
129.01926	0.8
131.03470	2.1
135.04509	1.7
137.09813	0.3
141.09270	0.5
143.03491	5.0
149.04541	2.3
159.02953	4.1
161.03270	0.6
161.04549	15.1
165.12845	0.4
173.04504	0.8
178.04745	0.6
179.05588	3.6
183.13889	1.4
185.15401	0.4
191.05603	7.8
192.05855	0.4
197.15434	0.3
221.06679	1.5
227.13083	0.4
237.06178	4.8
237.20753	0.4
253.18103	0.7
255.19618	7.8
285.03992	1.7
295.02325	0.7
297.20670	1.8
315.17938	0.5
321.20728	0.7
345.15100	0.4
351.21750	1.3
381.22827	0.8
399.23877	88.0
400.24292	2.3
417.24924	67.9
418.25366	2.2
447.23404	8.6
449.14731	2.4
459.26013	100.0
460.26306	3.5
503.33905	2.4
543.95697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02934	2.0
87.00890	0.3
93.03458	0.6
103.31606	0.1
111.01595	0.1
111.04496	0.2
119.99431	0.1
127.04007	0.3
137.91582	0.1
142.91513	0.1
157.02914	8.5
185.02388	0.8
191.05605	14.3
192.06036	0.2
229.01413	100.0
230.01758	2.0
248.18967	0.2
384.43365	0.2
403.06653	5.0
404.07260	0.2
454.93140	0.2
467.57358	0.2
595.13086	28.8
596.13348	1.6
762.51056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	23.2
83.05051	3.5
85.02934	4.5
87.00894	5.4
89.02428	17.6
92.44865	2.9
101.02438	14.8
113.02460	4.1
125.02475	4.4
165.12953	3.2
175.47121	3.0
179.97461	4.4
209.11838	100.0
210.12184	55.7
211.12350	21.5
227.12828	4.0
235.08131	4.7
255.12767	3.3
277.21707	50.4
278.22025	36.1
279.22260	15.4
359.79428	3.9
362.97437	3.2
379.12439	4.3
397.13483	22.7
398.13708	19.7
399.14005	20.9
400.14346	4.4
471.34955	33.1
472.35010	16.7
473.35349	7.3
474.35864	4.3
528.65253	3.5
634.31555	3.7
649.35748	4.0
936.28430	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	948.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	14.8
83.05039	6.3
89.02446	21.5
89.93909	3.4
101.02422	8.4
103.45498	3.5
113.02387	4.9
125.02420	4.4
127.71051	4.0
136.98366	4.6
139.28575	3.9
191.05681	4.9
208.28564	3.8
209.11852	100.0
210.12164	58.7
211.12466	20.9
227.12804	9.3
255.91884	3.6
274.81708	4.0
277.21710	39.8
278.22018	23.3
279.22400	6.5
279.50085	4.1
289.30869	3.7
293.52173	3.9
397.13574	19.1
398.13705	20.1
399.13931	17.5
471.34860	69.6
472.35226	63.6
473.35345	39.5
474.35898	30.8
475.35815	16.5
619.13062	4.4
771.35675	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	947.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75541	0.2
67.97205	0.2
82.97476	0.2
85.02954	0.4
93.03452	0.9
95.05022	1.0
103.05525	0.4
105.03424	0.2
108.02177	1.7
109.02940	24.1
117.03454	0.9
119.05020	1.5
121.02942	0.8
122.03741	0.3
123.04504	14.2
125.02433	0.3
133.02943	3.5
134.03743	0.2
135.00850	0.3
135.04492	0.4
137.02420	1.1
145.02985	1.2
147.04497	4.0
149.02405	1.0
150.03218	1.7
151.00266	0.3
151.03987	7.9
152.01154	1.6
153.01976	0.3
159.04475	1.4
161.02426	7.8
162.03154	0.4
163.04004	0.5
165.01833	0.3
165.05576	0.4
167.03511	0.3
173.02371	0.4
173.04462	0.3
175.03854	0.7
176.01183	1.0
177.01913	29.6
187.04016	1.9
188.04846	0.3
189.01915	63.6
190.02682	14.6
191.01752	0.5
191.03484	13.5
191.05559	3.1
201.01889	0.5
203.03511	7.3
205.05235	0.2
216.00630	9.4
217.01407	50.5
218.02086	3.1
219.02975	21.7
231.02975	16.8
232.03673	1.4
233.04549	1.7
245.08076	0.4
281.04559	1.0
289.07175	2.1
297.07727	1.0
299.05496	0.8
323.05508	2.5
327.05161	0.3
341.06647	100.0
342.07031	2.3
347.53647	0.2
449.14050	0.3
451.10345	86.3
452.10620	2.9
468.16043	0.3
480.01144	0.2
483.18674	1.2
717.90826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.8
73.02966	0.2
81.03403	0.2
83.01420	0.2
85.02981	0.2
93.03441	0.5
97.13259	0.3
107.01375	0.3
109.02939	2.8
125.02396	0.2
133.02927	7.4
134.03719	1.1
135.04533	1.5
137.02386	0.3
147.04488	0.5
149.02426	1.2
149.06065	0.4
151.04004	0.4
159.04504	0.5
160.04628	0.2
161.02484	1.5
161.06004	0.3
163.04076	0.7
165.01901	0.2
168.37955	0.2
175.03975	2.6
177.00595	0.3
177.01888	2.5
177.05531	1.1
179.03542	1.5
185.02335	0.2
187.04022	0.4
189.01865	0.4
189.05539	0.5
190.02765	0.2
191.03525	1.2
191.05600	5.1
199.03984	0.3
201.01964	1.5
203.03539	2.1
205.01424	1.2
205.05125	0.5
206.09381	0.3
211.03964	0.4
213.05634	1.0
215.03563	0.5
217.05035	0.4
223.07765	0.3
225.05522	0.4
227.03459	0.5
229.05138	0.4
233.04532	1.0
235.02377	0.4
239.07095	0.9
241.05009	0.4
243.06453	0.3
245.04517	1.2
253.05109	0.3
254.05894	0.3
255.06689	0.3
257.04385	0.4
267.06586	0.5
269.04532	0.4
269.08234	0.3
282.05115	0.2
283.06128	1.4
285.04047	0.9
293.04437	0.4
295.06149	1.0
297.04059	3.4
298.04797	8.8
299.05609	4.8
309.04037	1.9
309.07419	0.3
310.04797	1.5
311.05585	7.9
312.06396	9.9
313.07172	11.5
321.04050	0.4
323.05563	2.5
324.06464	0.3
325.07098	2.0
327.05057	6.5
338.04333	0.4
339.05078	14.8
341.06628	6.1
344.05273	1.2
351.05118	1.6
352.06024	0.3
353.06604	4.2
355.08328	0.3
357.06262	2.9
363.04825	0.3
367.04529	1.2
369.06131	45.3
370.06433	0.9
371.07608	1.0
381.06140	7.0
383.07648	1.1
387.50479	0.3
393.06335	0.3
395.07770	0.9
397.05646	0.9
399.07196	47.3
400.07489	1.1
405.05957	0.4
407.07669	0.4
411.07172	5.6
413.08719	0.8
423.07202	2.6
429.08255	12.6
430.08435	0.2
441.08188	7.2
453.08597	0.7
459.09360	18.3
460.09665	0.5
465.08353	0.3
471.09381	2.4
483.08844	0.2
489.10474	5.7
501.09958	0.3
519.11517	0.5
561.12366	1.1
579.13556	100.0
580.13940	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	946.464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	28.4
72.01714	2.7
74.77073	1.9
80.02671	2.5
81.03471	2.8
83.05005	3.7
85.02971	7.9
87.00852	4.3
89.02425	24.0
94.57770	2.5
97.02946	15.5
99.00883	2.9
101.02427	27.8
109.06567	24.9
110.06943	13.7
112.11537	2.3
113.02444	13.0
119.03457	4.2
125.02482	3.6
143.03479	2.7
158.22498	2.1
163.11249	16.4
164.11578	14.5
167.80952	2.4
182.13042	2.4
207.08342	4.8
207.10246	100.0
208.10577	55.7
209.10696	16.4
225.11238	33.6
226.11650	16.4
227.11819	4.9
263.65677	2.6
277.21701	49.6
278.22089	42.6
279.22430	17.0
280.22665	2.6
294.58350	2.9
397.13528	20.5
398.13840	23.3
399.13971	23.8
400.14197	4.7
415.14627	3.7
521.28711	3.2
607.24677	3.1
872.56384	3.4
885.47308	43.5
886.47858	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	28.4
73.02937	3.2
73.71272	3.0
81.03450	3.8
83.05035	2.9
85.02959	3.7
86.03340	2.7
89.02430	30.8
90.02737	2.6
97.02940	14.8
101.02417	21.4
109.06595	43.0
110.06924	18.6
113.02457	14.1
116.51176	2.7
116.92802	3.0
121.06618	3.1
125.02435	3.8
126.49426	2.8
132.13728	2.7
137.37761	3.3
142.02661	3.3
143.64117	2.8
154.24908	2.8
161.04549	3.1
163.11203	24.8
164.11552	11.0
179.05603	4.0
181.12399	3.5
200.48531	2.7
207.10258	100.0
208.10625	55.3
209.10828	6.2
218.07280	3.6
225.11342	51.4
226.11696	33.1
227.11855	6.2
277.21671	48.1
278.22107	40.3
279.22321	13.6
328.15375	2.7
397.13638	20.7
398.13605	18.9
399.14041	16.8
400.13959	3.4
417.14969	3.1
533.49164	3.3
607.24988	4.9
608.25671	3.6
625.25916	4.0
704.90411	3.3
770.30603	3.7
843.08173	3.3
885.47772	40.6
886.47772	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	0.3
67.06264	0.1
71.01390	0.8
73.02930	0.2
81.03428	0.2
83.01392	0.2
83.05045	0.2
85.02938	7.2
87.00858	1.2
92.10847	0.3
93.03438	4.1
99.04525	0.2
107.01400	0.7
108.02177	0.5
109.02937	1.9
111.04520	1.4
113.02479	0.2
121.02924	0.8
125.02411	1.7
126.90509	0.1
127.03993	2.0
135.00844	0.2
135.04480	0.8
137.02539	0.2
148.01666	0.2
151.00359	4.8
153.01996	0.2
155.03467	0.2
159.04562	0.2
161.02414	0.7
163.00366	1.0
164.01134	0.2
165.01868	0.1
169.01366	0.2
170.38112	0.1
171.03027	0.6
171.28560	0.1
173.04529	1.7
173.05930	0.3
177.01857	0.6
178.99800	2.0
179.03365	0.2
183.04460	0.2
187.04021	2.6
187.07610	2.0
191.05608	100.0
192.05995	1.1
199.04027	0.1
200.04669	0.2
201.01993	0.2
201.03830	0.1
201.05684	0.2
202.06364	3.1
203.07092	1.2
211.03998	0.5
213.09186	0.8
215.03522	0.2
215.07172	1.7
226.02618	0.3
227.03557	1.1
228.04251	0.2
229.01491	0.2
231.10242	1.1
243.02950	3.4
244.03493	0.2
245.04552	0.7
245.11757	0.7
247.09702	0.5
254.02003	1.0
255.02982	8.7
256.03601	0.2
257.08170	0.5
257.61255	0.2
271.02469	18.4
272.02924	0.9
273.03998	0.3
275.09241	0.2
283.02582	0.6
285.03925	0.2
287.05508	0.3
289.07455	0.2
289.10834	2.1
299.01932	0.3
300.02740	38.1
301.03488	13.5
302.03836	0.3
307.11990	0.6
370.07050	0.1
423.00458	0.2
449.14557	6.2
463.08838	28.6
464.09131	1.1
465.09698	0.2
477.24274	0.1
481.17191	11.1
482.17490	0.3
595.00702	0.1
674.27789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.6661
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05010	1.9
95.66238	0.3
125.23907	0.3
135.04495	0.3
145.03151	0.3
148.05289	0.3
161.02446	1.0
180.04190	1.1
191.05576	2.4
192.11909	0.3
212.50528	0.3
212.52594	0.3
223.85315	0.3
246.37514	0.3
325.94467	0.4
377.28439	1.4
390.89679	0.3
391.29871	0.3
393.31683	1.5
397.30447	0.3
403.30118	1.1
407.29575	0.5
421.31451	0.3
423.32700	2.3
425.30692	2.2
437.30557	1.7
439.31900	2.2
441.33942	1.2
455.31674	0.6
457.33273	11.9
465.29474	0.4
467.31665	15.1
468.32141	0.4
471.34833	2.0
485.32724	100.0
486.33005	3.4
550.60883	0.4
649.37878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	20.2
72.64029	1.8
73.02944	2.8
81.74991	1.6
85.02951	3.7
87.00873	3.0
89.02430	26.2
92.10087	3.6
97.77222	1.6
101.02431	17.6
113.02437	11.0
117.83274	1.8
119.03470	7.0
125.02441	8.7
125.57936	1.6
143.03474	1.9
143.46458	1.9
152.71342	1.8
161.04533	6.3
163.55360	1.9
167.10738	3.0
170.33032	1.5
179.05650	2.7
179.14426	2.1
195.13872	12.0
205.12286	10.2
214.47946	1.6
221.06769	3.0
223.13400	100.0
223.15625	3.3
232.76704	1.7
235.08290	7.0
267.79996	1.8
277.21695	83.6
291.23187	1.8
308.57016	1.9
379.12585	10.2
397.13519	53.3
415.14569	11.2
453.39490	2.1
603.26593	13.8
609.98035	1.8
621.27673	6.9
675.36053	7.3
843.66754	1.9
881.49744	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	943.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	18.6
71.05030	2.3
73.02948	3.6
81.77600	1.4
83.01370	1.7
85.02951	3.6
85.98363	1.8
87.00865	6.4
89.02425	16.9
92.10122	3.4
97.02919	13.3
97.06583	2.5
99.00874	20.1
101.02408	14.4
102.72059	1.7
109.06579	12.9
113.02430	8.3
116.92825	1.8
119.03473	5.8
125.02425	8.3
125.09682	6.4
130.70009	1.8
135.08160	1.8
138.00708	1.7
142.02675	1.7
161.04526	2.5
163.11296	16.0
181.12329	21.4
191.05623	3.6
197.11717	1.7
199.13490	3.5
201.11191	1.6
207.10248	99.1
225.11305	100.0
232.19072	1.5
235.08231	3.3
238.58784	1.6
243.12369	31.7
263.07709	1.7
277.21710	53.4
317.16000	2.2
326.97870	1.4
397.13437	15.0
407.03946	1.9
415.14609	1.9
561.64221	1.6
605.24500	18.0
623.25531	18.7
822.18982	1.8
883.47003	90.4
883.64636	3.0
884.47498	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	939.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	27.2
72.16807	6.2
72.64889	5.9
76.58180	6.9
83.05027	6.4
85.02927	8.0
87.00877	7.3
89.02443	27.4
101.02428	13.0
119.03503	8.8
125.02393	25.5
191.05557	38.1
201.11314	97.7
209.11792	100.0
227.12834	15.2
228.68213	7.4
247.37921	8.2
277.21722	78.8
375.90601	8.3
379.12405	25.2
397.13412	81.0
415.14270	8.5
675.35980	24.4
857.63239	7.8
859.47351	14.4
903.18677	8.7
939.46802	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	2.2
71.01366	26.2
71.45513	1.1
73.02927	1.6
83.01373	2.1
85.02956	5.7
87.00868	6.5
89.02420	17.5
92.10879	4.6
95.01394	1.6
97.02926	3.0
101.02429	18.1
108.52541	1.2
113.02431	10.7
116.92853	8.1
119.03500	3.2
123.30571	1.2
125.02430	6.0
161.04520	2.4
161.32127	1.4
167.10707	2.6
168.87251	1.4
179.05646	2.9
179.14384	2.2
179.83655	1.4
195.13922	14.2
205.12300	15.0
221.06569	1.6
223.13377	100.0
235.08168	5.8
277.21686	63.6
305.08960	2.2
379.12360	5.8
389.79108	1.4
397.13513	39.4
415.14609	6.5
531.10107	1.4
603.26593	10.0
621.27875	14.4
634.54736	1.6
675.35901	3.1
881.48547	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	935.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	3.6
71.01369	0.4
83.01377	2.8
85.02948	1.0
87.00871	0.9
93.03439	2.9
100.40633	0.2
107.01382	12.3
109.02943	1.5
111.04501	0.4
125.02414	4.6
134.03717	1.3
135.04503	58.6
136.01671	0.5
136.04848	0.4
137.02440	2.3
151.00354	100.0
152.00693	1.2
160.01613	0.5
161.02432	1.4
164.01221	0.7
165.01875	0.5
165.58150	0.2
167.86824	0.3
169.01379	1.8
172.94623	0.3
173.04514	1.6
176.04817	0.3
176.41049	0.2
177.01903	1.5
191.05598	10.1
193.05067	0.3
197.67732	0.2
212.97401	0.3
221.77296	0.2
235.06113	0.4
269.04623	0.4
285.04138	0.6
286.04788	0.3
287.05600	53.1
288.05988	1.2
289.00021	0.3
295.05234	0.3
297.09799	1.4
415.71317	0.2
447.09531	0.4
449.10876	62.9
450.11230	2.4
467.15674	3.9
485.17261	2.5
501.19525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	12.5
76.60680	6.7
85.02934	10.6
89.02481	8.4
90.08755	6.9
101.02425	8.9
109.06608	8.7
191.05602	100.0
207.10258	46.1
214.56177	8.3
225.11305	30.8
256.11218	8.4
260.56107	7.8
293.21182	56.9
397.13593	15.1
415.14594	13.7
445.29630	11.9
446.30008	10.4
456.00351	8.6
487.34363	10.4
489.35776	32.4
748.74054	9.6
899.46313	82.7
935.43542	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6951
Annotation	Unknow
Peak:m/z	Relative Intensity
103.70648	0.5
156.00262	0.5
372.62585	0.6
407.33133	1.3
455.35294	100.0
456.35742	2.4
577.64264	0.6
683.49768	0.6
735.62561	0.7
933.69525	66.2
934.69550	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	933.6946
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67004	0.5
74.15958	0.5
91.83028	0.6
117.84610	0.5
156.22838	0.5
164.46928	0.6
360.28058	0.7
452.20407	0.6
452.27661	0.6
455.35294	100.0
456.35626	2.3
715.50867	0.6
833.68817	0.6
933.69501	58.1
934.69537	3.6
949.69019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.6953
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50791	0.9
69.52031	1.1
74.49413	1.2
92.10712	1.3
97.24414	1.0
105.69065	1.1
119.24856	1.0
123.00401	1.1
151.68773	1.1
157.17944	1.5
164.77711	1.2
209.11833	5.8
219.18942	1.2
255.23248	1.7
270.72205	1.3
397.13486	1.9
455.35330	100.0
456.35748	1.7
535.76666	1.4
933.51654	4.9
933.69446	69.7
934.69623	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	933.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	7.3
73.27709	7.6
87.00866	6.7
89.02402	8.5
96.95958	8.4
112.18710	7.6
162.56984	8.1
191.05545	30.6
200.55730	8.2
223.13342	65.7
224.57663	8.2
293.21237	82.6
374.41077	8.0
397.13550	28.9
415.14346	8.8
494.31998	9.1
621.28198	10.3
766.90082	8.2
796.21466	8.6
830.61688	10.4
897.49152	13.3
933.46075	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	931.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
72.88852	12.9
93.44869	14.4
101.02443	16.8
145.74182	12.1
209.11807	100.0
255.23358	31.2
358.65213	14.4
389.78360	14.4
397.13596	25.5
457.51047	13.2
543.10571	13.7
760.77838	15.0
778.10529	14.4
931.50555	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	17.5
73.15002	14.7
73.82413	15.4
78.59425	14.3
89.02436	23.6
107.84560	15.9
112.79646	14.0
115.86324	19.4
152.07591	19.1
209.11804	100.0
227.12807	26.6
255.23245	98.8
379.12280	27.2
397.13675	72.0
455.35294	72.7
601.87842	16.6
607.25372	24.7
931.49805	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00684	0.3
69.03462	0.5
71.01374	3.8
73.02950	0.8
74.98600	0.4
78.56693	0.4
81.03453	0.8
83.01380	0.5
85.02943	4.3
93.03445	2.0
95.01385	2.3
99.00867	0.5
101.02438	1.8
108.02166	58.3
109.02944	64.2
113.02441	1.9
117.03390	0.3
119.05012	0.7
121.02965	2.0
123.00870	1.7
123.04491	6.9
125.02415	0.5
133.02942	2.4
135.04482	1.5
137.02403	1.6
139.11284	3.6
145.02919	0.9
147.04510	2.1
150.03125	0.6
151.04001	4.6
152.01141	79.2
153.01927	23.1
153.03169	0.8
159.04494	1.4
161.02429	3.9
161.04568	0.5
161.28325	0.4
163.03993	1.7
165.01933	0.8
173.04518	0.7
175.03928	0.6
177.01917	16.1
183.10277	3.4
187.04007	0.6
188.04762	0.4
189.01921	30.1
190.02698	5.8
191.03468	6.8
191.05588	3.8
195.02979	0.5
203.03531	4.1
216.00616	5.1
217.01413	26.2
218.02077	1.5
219.02982	10.1
225.03995	0.4
231.02977	6.4
233.04594	0.4
289.07300	0.8
297.07559	0.7
315.07178	3.3
323.05511	0.8
341.06665	48.7
342.06836	1.5
451.10370	46.1
452.10498	1.5
467.15735	0.7
481.17154	100.0
482.17712	3.0
674.82104	0.4
904.83514	0.5
941.61072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00308	0.5
66.18936	0.3
67.01882	2.7
69.03451	0.6
71.01380	2.1
76.94363	0.3
82.10868	0.3
83.05032	0.6
85.02933	7.4
87.00862	5.3
92.10772	0.7
93.03432	25.2
99.00861	0.4
101.17003	0.3
107.01360	1.7
108.02161	0.5
109.02959	3.1
111.04502	4.4
121.02941	1.5
125.02362	0.6
127.04002	2.3
129.01933	0.6
133.02916	0.4
134.03726	2.2
135.04550	1.2
135.71858	0.3
136.01672	2.4
137.02405	5.3
148.01703	0.6
151.00340	8.1
151.03870	0.5
153.01903	0.3
154.02670	0.7
155.03465	0.6
159.04501	0.5
160.01613	0.6
163.00304	1.1
171.03011	0.6
173.04529	12.1
174.03273	0.4
176.39059	0.3
177.02002	0.4
178.99823	2.8
187.04030	0.5
187.07594	1.5
191.05600	100.0
192.05913	1.3
199.04063	0.5
200.04836	0.4
202.06287	0.5
203.10715	0.4
205.08743	0.4
211.04019	0.6
213.09192	3.3
215.07018	0.3
217.05043	0.4
226.02664	1.2
227.03488	1.4
229.05106	0.5
229.08531	0.6
231.10239	2.8
233.08398	0.5
243.02962	4.7
244.03423	0.5
245.04440	0.5
254.02222	1.4
255.03003	13.8
256.03329	1.9
257.03592	0.5
257.08179	5.6
271.02463	30.7
272.02866	3.9
273.03186	0.8
274.03174	0.4
275.09290	0.6
283.02509	0.6
299.01929	1.2
300.02744	57.6
301.03436	26.2
302.03516	5.0
303.03738	2.3
304.04279	0.4
431.13406	1.5
449.14600	7.0
463.08823	43.3
464.08954	3.5
465.09265	3.9
466.09787	2.0
467.10590	1.7
467.15576	45.3
468.15793	1.2
846.90338	0.4
872.99335	0.3
929.61578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73100	0.1
67.01888	0.2
67.10427	0.1
71.01379	0.5
73.02952	0.1
80.41467	0.1
81.03460	0.1
83.01381	0.2
83.05027	0.3
85.02415	0.2
85.02936	5.5
87.00857	1.0
91.35782	0.1
93.03436	2.0
97.02935	0.1
99.04494	0.3
109.02946	1.3
111.04512	0.9
120.89051	0.1
123.04491	0.5
125.02415	3.9
125.03339	0.1
125.23169	0.1
126.02707	0.2
127.03990	1.9
133.02925	1.0
135.04475	0.6
137.02432	1.1
149.02444	0.2
151.04019	0.6
155.03410	0.2
161.02414	4.1
161.06050	0.1
163.00407	0.1
163.04015	0.2
164.01010	0.1
165.01942	0.2
171.03000	0.7
173.04512	1.1
174.03181	0.1
175.03935	0.5
177.01863	0.4
179.01956	0.1
179.03433	0.7
187.04031	0.4
188.04723	0.1
189.05653	0.1
191.05597	100.0
192.05946	1.1
203.07132	0.5
205.05089	0.4
221.07927	0.1
227.07028	0.1
243.02979	0.1
245.04436	0.2
245.08070	0.6
255.02982	0.4
256.03726	0.1
257.04309	0.1
281.04456	0.1
283.02435	0.1
287.05728	0.3
289.07187	1.8
299.05490	0.1
339.08658	0.3
351.07248	0.1
353.08765	14.6
354.09027	0.3
398.48541	0.1
407.07715	2.0
425.08774	1.9
451.10330	0.5
559.12439	0.1
577.13556	1.5
578.13739	0.1
579.14136	0.1
641.63354	0.1
956.78448	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	931.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	0.1
71.01380	0.2
85.02949	0.3
93.03456	0.6
107.01392	0.9
109.02938	0.2
113.69584	0.1
133.02917	3.8
135.04510	0.2
137.02440	0.2
149.02411	0.9
151.00346	3.4
161.02513	0.2
166.12628	0.1
172.45177	0.1
173.04567	0.2
173.06001	0.2
175.03938	2.0
177.01926	0.2
191.03790	0.3
191.05577	4.7
192.05882	0.3
193.06157	0.2
196.32272	0.1
198.03191	0.2
199.04016	1.5
201.01947	0.6
213.05499	0.3
217.04970	1.0
241.05067	1.0
243.02995	0.3
257.04630	0.3
261.77884	0.1
267.02908	0.2
271.02515	0.2
284.03134	0.7
285.04025	100.0
286.04453	2.2
300.02744	0.6
311.05493	0.2
447.09326	24.4
448.09653	0.9
467.15497	0.5
481.17233	0.3
580.86938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.3
65.33609	0.2
73.01022	0.2
83.05009	0.3
85.02936	3.5
87.00877	1.3
89.02442	0.2
93.03441	3.1
97.39382	0.2
107.01389	0.5
109.02942	0.4
110.48439	0.2
111.04516	0.5
125.02441	0.2
127.03978	1.3
133.02928	2.3
134.03685	0.7
135.04500	0.2
149.02446	0.8
151.00363	2.9
155.03482	0.2
169.01439	0.3
171.03000	0.3
172.05350	0.2
173.04477	1.5
175.03981	1.1
183.04480	0.2
185.06015	0.3
187.04028	0.8
187.07545	0.7
191.05598	50.8
192.05963	6.2
192.07704	0.2
193.06058	1.9
196.71700	0.2
199.03970	1.1
200.04715	0.2
201.01936	0.3
202.06357	0.9
209.11906	0.3
211.04016	0.2
213.05428	0.2
213.09184	0.9
215.07207	0.2
217.05002	0.5
227.03470	0.4
231.10234	1.5
241.04959	0.4
243.03001	0.3
251.12306	0.3
255.03041	0.3
256.03751	1.6
257.04282	0.2
271.02380	0.2
284.03253	47.0
285.04028	100.0
286.04370	4.4
287.04868	0.4
297.03943	0.3
327.05048	1.1
362.31146	0.2
394.08096	0.2
447.09348	92.1
448.09634	5.1
449.09787	0.6
449.14563	5.5
449.20313	1.1
450.15109	2.4
451.15381	1.8
463.08466	0.3
467.15417	0.4
481.17188	3.7
482.17377	1.9
483.17822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.6875
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04575	0.6
68.59551	0.8
71.05035	1.7
79.62247	0.7
96.24983	0.7
113.86990	0.8
123.90504	0.7
161.33194	0.8
184.78987	0.7
191.05724	1.1
274.68878	0.7
341.28494	0.9
377.32346	0.9
383.47806	0.8
393.31927	1.1
395.33054	7.6
397.30957	1.1
413.34445	0.9
422.60422	0.8
439.32156	15.6
457.33221	100.0
458.33545	1.7
471.27997	1.7
471.34769	48.4
472.35211	3.0
539.47540	0.8
646.50043	0.9
648.47687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	10.7
79.14156	10.2
89.02444	12.4
92.64034	13.5
94.82660	10.9
116.92816	26.7
137.52979	12.0
138.02513	10.8
148.16391	13.2
173.99716	13.3
179.12294	12.2
194.46297	11.8
209.11823	100.0
211.75496	14.3
283.26413	75.3
397.13281	66.2
400.50772	13.8
826.48438	15.0
927.50281	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	3.6
83.01376	3.4
83.05014	1.7
85.02932	12.8
86.41505	2.0
87.00871	11.1
93.03435	30.7
95.05001	3.9
96.01467	1.4
98.55522	1.7
105.03446	12.4
109.02931	20.1
111.04482	2.4
121.02958	2.0
123.04511	16.1
125.02418	56.6
131.04944	1.9
133.02936	76.6
135.04483	16.2
137.02394	22.7
139.03961	2.5
145.02917	2.7
147.04428	2.5
149.02316	6.1
151.03993	14.2
155.04973	2.6
159.04546	3.0
161.02452	25.0
165.01910	3.4
173.02371	7.4
173.04526	14.2
174.03188	2.3
175.04005	16.7
177.01906	22.8
179.03499	3.8
187.03975	3.1
188.04810	1.7
191.05603	100.0
198.03233	1.9
199.04027	19.8
201.01886	3.3
203.03635	1.9
203.07179	6.8
205.05003	6.7
215.03539	2.3
215.05574	7.2
217.05112	1.9
227.59494	1.7
229.05086	3.2
241.05025	7.4
243.02962	27.0
245.04425	3.0
245.08194	13.6
253.04953	2.0
255.02885	9.1
256.03696	3.3
265.05078	2.4
271.05893	1.9
273.04059	2.8
281.04465	6.8
285.03821	3.5
287.05585	4.0
289.07175	35.0
337.03445	5.7
339.08698	2.7
351.07181	21.2
361.14536	2.0
397.12430	1.7
407.07700	35.6
425.08765	24.6
447.06906	2.4
451.10251	7.2
477.10721	3.0
577.13544	19.8
585.10547	3.0
605.32556	1.8
641.15338	3.1
737.14941	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	927.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00027	0.3
65.00332	1.7
71.01376	0.3
83.01383	0.5
85.02963	1.4
95.01375	0.4
97.74744	0.3
106.62542	0.3
107.01382	4.4
108.02183	1.4
109.02981	1.4
113.02440	3.0
121.02956	1.6
125.02500	0.7
125.07022	0.4
135.00897	0.6
135.04492	5.8
148.01697	1.1
151.00352	22.0
153.01886	0.5
159.04530	0.3
163.00375	1.5
164.01097	0.4
174.03177	0.5
175.02440	1.2
178.99817	4.0
185.05959	0.3
187.04092	0.4
199.03757	0.4
211.04022	0.6
226.02684	1.1
227.03535	2.5
243.02950	8.3
244.03360	0.3
245.04507	1.5
254.02203	2.0
255.02962	24.6
256.03500	0.6
270.01508	0.5
271.02460	49.1
272.03006	2.1
273.04019	0.6
283.02438	0.4
285.04074	3.7
286.04333	2.3
287.05609	4.2
299.02026	1.2
300.02734	100.0
301.03494	34.0
302.03940	0.5
461.07339	1.3
462.07675	0.7
463.08804	88.0
464.09543	2.5
467.86179	0.3
494.10648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	69.8
72.01744	1.1
72.99297	1.7
73.02943	19.0
79.50678	0.9
83.01388	9.0
85.02946	33.3
87.00864	5.9
87.04500	8.9
89.02434	33.5
92.47908	1.0
93.03460	5.1
95.01378	5.5
99.00875	8.0
101.02428	59.2
101.06059	10.3
111.00867	1.8
112.01659	1.0
113.02436	34.0
119.03473	14.3
125.02424	1.8
128.18396	1.2
131.03439	2.0
137.99442	0.9
143.03453	1.8
159.02975	4.3
161.04520	17.3
191.05591	6.0
255.19554	4.3
291.18134	1.6
297.20648	2.6
341.21164	1.3
351.21762	1.8
399.23843	100.0
400.24316	2.5
417.24918	76.6
418.25543	1.2
423.22571	10.0
459.25998	100.0
460.26279	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	925.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43871	15.8
81.15503	20.2
83.78333	18.6
84.22472	20.0
85.41644	17.8
101.02414	21.7
116.92841	19.4
191.56526	20.6
207.10269	69.8
225.11429	18.3
283.26321	44.0
397.13519	37.1
493.00897	24.4
505.70059	20.9
817.01276	22.1
889.51086	100.0
925.49872	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	22.7
89.02438	28.5
97.02959	5.0
99.53224	3.9
101.02414	26.4
108.27158	3.6
110.18453	3.5
113.02493	4.7
121.99200	3.9
145.04987	4.2
209.11838	100.0
210.12202	56.9
211.12389	20.7
233.13142	3.8
255.23245	51.4
256.23657	44.1
257.23865	15.2
283.98367	3.9
391.52301	4.9
397.13434	24.8
398.13696	18.1
399.14102	18.1
582.17981	4.6
763.37219	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	925.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	4.7
69.03452	1.2
71.01370	2.8
81.03455	1.2
83.05035	0.6
85.02935	7.5
85.03407	0.4
87.00854	9.8
89.02428	0.9
93.03438	35.5
99.00825	0.5
99.04507	0.5
101.02409	0.4
107.01385	0.4
108.02169	2.3
108.09353	0.2
109.02926	2.3
111.00835	0.3
111.04498	6.3
113.02433	1.0
115.47076	0.2
124.01649	0.5
125.02429	0.9
127.03992	1.6
129.01938	2.1
132.02153	0.5
133.02933	1.6
134.03708	12.3
135.04510	8.6
136.01643	4.4
137.02426	34.0
143.03519	0.3
151.00345	4.6
151.03976	1.3
153.01895	1.4
154.02730	3.5
155.03508	1.8
160.01637	5.3
161.02438	0.3
166.41650	0.3
171.02959	3.5
173.04526	19.1
175.04010	0.3
177.01842	1.2
178.02702	2.4
179.03465	1.1
179.05617	0.3
186.00284	0.3
187.07541	0.4
189.02473	0.2
189.03998	2.5
191.05597	100.0
192.05905	1.2
213.09169	0.4
223.13411	0.3
231.10188	1.0
232.05891	0.6
233.06563	1.9
257.08200	1.5
264.04950	1.0
285.04013	6.5
286.04251	0.4
287.05518	1.6
293.10321	1.0
299.05707	0.5
340.07834	0.4
341.06430	0.3
344.61621	0.2
352.08173	0.3
370.09091	3.4
431.87546	0.2
437.14645	0.4
447.09329	1.7
449.14969	6.1
467.15573	66.1
468.15964	2.2
521.12848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	4.0
68.05472	0.2
71.01370	4.9
72.99306	0.5
73.02956	0.4
75.00854	2.2
83.01373	2.5
83.66075	0.2
85.02937	12.9
87.00869	2.7
89.02440	1.7
93.03445	0.4
95.01353	3.2
99.00864	4.6
99.76220	0.2
103.00349	1.4
104.32324	0.2
107.01374	12.4
109.02940	1.2
113.02432	17.6
115.00355	1.6
117.01940	2.0
121.02930	0.2
121.17708	0.2
125.02420	5.3
128.15794	0.2
129.01904	1.2
133.02916	5.7
135.04501	43.9
149.02441	1.8
151.00352	79.6
152.00769	0.3
161.02402	2.2
165.01920	0.3
169.01450	1.0
171.04475	0.3
175.02444	5.8
175.03972	2.9
177.01903	0.4
189.05562	0.4
191.05580	3.2
192.05975	0.3
193.01421	0.4
198.03200	0.4
199.04015	2.3
201.01877	1.0
203.03404	0.3
212.04686	0.3
213.05614	0.5
214.02635	0.3
215.03381	0.3
217.05006	1.1
239.03368	0.4
241.01357	0.4
241.04976	1.2
242.02304	0.5
243.02873	1.0
255.03012	2.3
257.04477	0.6
270.01804	0.3
271.02426	4.4
283.02383	0.3
284.03229	0.6
285.04031	100.0
286.04364	6.8
287.05609	26.0
288.06076	0.3
298.01120	0.3
300.02750	6.1
301.03598	1.9
327.05191	1.8
357.06186	0.6
390.40555	0.3
461.07254	30.4
462.07532	2.9
463.08823	48.7
464.09418	1.3
568.87994	0.3
652.83490	0.3
721.31250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	12.4
73.02956	1.1
74.68073	0.8
80.02626	0.9
83.01389	1.1
83.05016	6.0
85.02959	3.5
87.00858	1.4
89.02432	11.9
101.02418	10.5
113.02435	5.3
119.03490	3.4
125.02415	4.5
127.55726	0.7
135.67538	0.7
140.51437	0.8
163.11230	3.7
165.12811	1.5
179.05550	1.2
191.10805	1.0
209.11815	100.0
211.07414	1.1
221.06616	0.9
227.12759	6.1
235.08113	2.8
255.23268	42.6
305.08694	1.0
379.12460	6.7
397.13535	24.5
415.14511	5.4
607.25836	1.9
772.04114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
87.85547	26.1
117.11066	28.4
117.15998	27.6
125.64879	27.6
137.21080	25.5
139.05348	27.4
147.64891	27.3
150.94576	27.3
158.92151	27.2
207.10251	62.4
208.10666	100.0
255.23239	58.1
256.23734	33.1
268.32205	30.1
269.40915	32.7
310.13290	31.8
343.08105	27.9
615.80957	30.9
864.49066	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28820	0.7
69.03457	1.2
71.01363	20.4
72.99304	1.5
73.02946	1.5
76.63804	0.8
78.15585	0.8
79.65402	0.8
81.03468	2.1
83.01384	3.8
83.05034	1.0
83.23781	0.9
83.86625	0.8
85.02938	6.4
87.00868	3.5
89.02426	22.3
89.02959	1.0
95.01408	1.9
97.02925	11.0
99.00842	3.3
101.02425	20.1
105.95206	0.9
107.02219	1.0
109.06578	27.9
110.03732	1.8
111.04509	1.1
113.02422	7.7
113.85218	0.9
116.92855	1.3
119.03490	7.0
121.06577	1.2
125.02418	4.8
125.09681	1.4
130.09833	1.0
130.88405	0.9
135.08130	3.9
141.01965	0.9
142.02756	1.1
143.03491	1.4
149.55009	1.0
153.60245	1.0
161.04549	3.8
161.09763	1.2
163.11269	21.5
179.05594	1.2
181.12288	4.1
189.09088	1.5
207.10254	100.0
209.11783	1.1
221.06644	1.3
225.11290	36.7
232.70375	1.0
235.08237	4.4
243.12267	2.0
255.23268	84.8
305.08572	1.0
362.11121	1.0
379.12335	7.2
397.13510	34.5
415.14648	7.8
587.23206	1.6
605.24597	4.6
613.05066	1.2
623.25305	4.4
635.36847	1.1
653.37335	6.0
861.48413	67.6
862.48828	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	921.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	20.3
73.02929	2.9
77.81167	2.2
85.02962	3.3
87.00851	5.1
89.02433	14.1
92.10159	7.0
94.68507	2.1
97.02930	10.6
99.00864	22.1
99.92556	4.0
101.02408	16.2
109.06566	16.6
113.02414	5.4
114.98611	2.2
116.92840	75.4
119.03442	2.5
125.02327	3.0
125.09705	5.0
131.20271	2.2
142.02672	2.0
151.07594	2.9
163.11217	18.2
181.12329	18.7
183.74518	2.4
200.92479	2.1
207.10263	100.0
209.11789	3.6
225.11310	76.9
226.81155	2.3
243.12331	19.7
255.23283	93.3
275.57861	2.7
297.88638	2.8
379.26666	2.5
397.13681	17.2
415.14371	2.4
605.24304	14.6
623.25354	3.5
843.45892	2.9
861.48297	89.8
861.64740	3.5
881.19159	2.7
897.51215	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	921.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	1.2
70.38013	0.7
71.00977	1.8
71.01377	53.5
72.99313	1.9
73.02936	21.3
81.03471	0.8
83.01389	8.7
83.05062	0.9
85.02952	18.5
85.76687	0.8
87.00877	7.7
87.04513	3.9
89.02440	42.3
92.10822	1.9
93.03445	10.8
95.01362	3.6
97.02927	1.0
99.00848	4.3
101.02430	53.4
101.06077	4.4
111.04516	1.3
113.01646	1.0
113.02438	29.3
119.03482	15.3
125.02406	1.9
131.03477	1.4
135.04477	1.4
137.02452	1.6
141.29637	0.8
143.03499	5.1
149.04515	1.0
150.11139	1.3
159.02936	1.4
161.04552	13.1
173.04539	3.6
179.05542	4.1
191.05612	14.5
195.06647	1.3
239.16508	1.0
255.19653	7.4
285.03986	4.3
327.05051	1.5
381.22687	1.0
399.23871	58.1
400.24524	1.0
417.08823	2.4
417.24893	65.3
418.25119	1.3
449.14621	1.9
459.25992	100.0
460.26303	1.3
467.15393	1.4
577.99963	0.9
616.27582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88267	0.8
66.83772	0.7
69.03437	1.0
69.73713	0.9
71.01370	49.6
73.02934	15.2
83.01376	7.7
85.02937	22.9
86.85664	0.8
87.00859	3.7
87.04520	5.5
89.02433	28.8
89.54872	0.9
93.03446	5.6
95.01366	5.5
95.23103	0.9
97.02962	2.1
98.51564	1.0
99.00856	5.7
101.02431	45.5
101.06062	9.1
113.02440	27.7
119.03476	12.0
125.02439	3.7
143.03473	1.2
156.53050	0.9
159.02925	1.9
161.04527	13.6
173.04495	1.5
179.05569	1.8
191.05579	4.7
255.19606	2.1
342.40289	1.0
351.21628	1.8
399.23859	84.7
400.24243	1.8
417.08368	2.0
417.24908	57.1
418.25531	1.2
459.25992	100.0
460.26050	1.4
467.15631	3.6
516.58514	1.0
686.82013	1.0
782.59082	1.0
860.17194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74062	3.5
64.33095	4.3
71.01373	100.0
72.99301	3.4
73.02953	3.8
79.77502	4.4
83.01401	6.0
85.02956	7.1
87.00840	4.4
89.02437	29.8
101.02448	18.6
109.06645	6.7
113.02444	14.6
119.03466	6.1
119.39830	3.5
125.02434	7.7
134.25226	4.2
171.10252	58.4
195.66875	4.1
199.09795	20.4
201.11330	18.1
207.10370	33.8
225.11363	23.6
225.23259	4.0
250.05461	3.9
277.21725	81.6
286.71671	3.8
319.04608	3.8
381.97760	3.8
397.13510	51.0
415.14587	9.1
576.22113	4.2
740.75586	4.5
800.21985	4.3
883.46368	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	919.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17073	2.2
68.99564	3.8
69.03432	3.4
71.01358	21.3
73.02960	3.3
78.47419	2.4
85.02951	4.1
87.00851	4.0
89.02435	27.4
91.79130	2.5
92.10828	6.7
92.63601	2.9
94.42106	2.5
101.02438	21.7
106.70122	2.8
112.98592	3.3
113.02445	14.7
116.92834	33.7
119.03436	3.6
125.02381	4.9
132.20099	2.7
136.23018	2.6
161.04518	4.2
195.13875	6.3
198.24779	2.6
205.12346	4.3
211.94518	3.4
223.13379	92.2
235.08290	3.9
255.23253	100.0
255.25914	5.6
308.13849	3.1
309.78876	3.7
379.12250	12.2
397.13513	44.7
415.14297	5.1
585.90771	3.0
603.26453	17.5
653.37518	6.5
705.56635	3.1
859.50385	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	919.6651
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25055	1.2
77.79183	1.2
88.03520	1.3
141.83195	1.3
172.65800	1.3
427.96918	1.4
467.31927	1.9
469.33026	15.4
487.34265	100.0
488.34467	2.3
711.50946	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	919.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47257	0.3
65.30724	0.3
67.01894	0.4
68.61613	0.3
71.01383	2.2
77.03998	0.5
79.01867	0.3
83.01395	0.4
85.02958	1.5
87.00885	0.7
89.02460	0.6
92.73512	0.3
93.03435	3.6
97.02934	0.7
101.02451	1.3
109.02958	2.8
111.04510	0.7
113.02406	0.6
119.05003	2.2
121.02940	2.1
122.09911	0.4
125.02444	1.8
133.02924	13.0
134.03717	0.5
135.00824	0.4
135.04538	1.3
137.02425	2.0
139.00362	0.4
145.03020	0.4
147.04510	1.7
149.02405	2.7
149.04575	0.5
149.06047	1.5
151.00397	0.3
156.70882	0.3
161.02419	2.5
161.04549	0.4
163.00317	1.9
163.03960	3.8
165.01888	1.8
173.04501	2.0
174.03072	0.3
175.02625	0.5
175.03938	3.7
177.01871	1.7
179.03479	0.5
191.03540	2.4
191.05598	10.7
193.01384	2.3
199.04007	0.8
201.01898	1.6
203.03523	1.3
211.04065	0.6
213.05731	0.8
217.05081	0.6
217.40306	0.3
225.05573	0.5
227.07135	0.4
229.01424	0.4
231.06444	0.4
237.03812	0.4
240.04309	0.5
241.05096	0.6
243.02968	0.4
253.05084	0.7
255.06624	0.6
256.03793	0.6
269.04575	1.3
270.05124	0.5
271.05969	0.4
281.04599	1.2
283.06085	0.4
284.03256	10.0
285.04059	7.4
297.04022	17.7
298.04782	11.1
299.05588	20.1
300.05914	0.5
305.72885	0.4
309.04141	1.4
310.97827	0.4
311.05542	2.5
324.02649	0.7
325.03455	0.5
325.07187	0.4
327.05090	100.0
328.05484	2.1
331.17770	0.4
339.05038	4.0
341.06317	0.4
357.06152	23.2
363.05087	0.5
369.05722	1.0
373.18536	1.8
381.06036	3.0
399.07043	0.4
417.08264	79.7
418.08673	2.0
451.16312	1.4
501.10172	0.5
501.14694	0.6
925.96753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01910	2.3
69.92577	0.4
71.01404	1.9
71.73701	0.4
77.68840	0.4
78.79793	0.4
81.03466	0.4
85.02934	10.8
85.03403	0.5
87.00856	7.5
93.03438	24.9
95.05047	0.9
108.02190	2.5
109.02939	29.2
111.04498	4.3
117.03487	0.4
119.05000	0.8
121.02980	0.6
122.03788	0.5
123.04494	15.2
125.02414	0.7
127.04007	0.8
129.01947	2.5
133.02934	4.4
134.03688	5.3
135.04523	3.8
136.01620	7.8
137.02425	66.1
143.03554	0.4
145.02982	1.9
146.65141	0.5
147.04506	4.6
149.02486	0.7
150.03210	1.5
151.03998	9.9
153.01953	1.0
154.02707	8.5
155.03531	0.8
159.04558	0.8
161.02444	7.1
171.02963	8.6
172.03693	0.5
173.04517	13.0
175.03981	0.9
177.01913	32.2
178.02649	2.9
179.03552	0.6
187.03917	1.8
189.01920	63.6
189.03967	4.2
190.02692	17.2
191.03548	15.4
191.05629	60.7
203.03481	7.8
216.00629	10.4
217.01407	52.2
218.02090	3.4
219.02966	20.3
231.02966	17.3
231.05031	1.1
232.03650	1.5
232.05852	1.7
233.04492	1.5
233.06680	3.1
257.08130	0.7
264.04819	1.0
281.04480	0.9
285.03918	0.5
288.93045	0.4
289.07129	1.7
297.07623	0.7
323.05582	2.9
327.05087	1.0
341.06662	100.0
342.06885	1.8
370.08994	9.6
417.08316	0.9
435.40591	0.5
449.14551	1.7
451.10342	86.7
452.10565	2.7
467.15579	78.6
468.15930	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	917.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	1.2
71.01372	11.2
81.03437	1.6
83.05024	2.5
85.02961	4.8
87.00877	4.9
89.02424	12.4
91.42543	1.0
97.02943	1.8
101.02431	12.2
109.02979	1.0
113.02433	5.4
119.03507	1.6
125.02406	2.6
135.35234	1.2
140.01022	1.0
161.04597	2.1
163.11208	4.3
179.05565	1.4
209.11812	100.0
210.12236	1.5
227.12836	8.0
235.08145	2.1
253.47054	1.2
277.21692	37.9
287.73285	1.2
379.12430	7.2
397.13486	23.4
415.14685	6.9
502.69159	1.4
607.25732	1.8
708.15753	1.1
849.20648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	0.7
67.45340	0.3
71.01379	0.6
72.77898	0.3
79.05511	0.7
79.76162	0.3
81.03444	18.4
85.02950	1.6
85.42071	0.3
85.53844	0.3
92.10841	0.4
93.03434	6.2
95.01330	0.4
101.02445	0.5
106.04228	3.4
107.01347	0.4
108.02155	1.4
109.02931	4.0
111.43121	0.3
113.02439	0.5
119.04973	0.4
122.03712	0.5
123.04500	97.5
124.04874	0.6
125.02426	1.9
135.04486	0.4
137.02425	2.0
138.03204	0.7
149.02431	6.4
153.01926	0.5
161.02426	0.5
173.04550	0.7
176.40785	0.4
177.05765	0.4
185.06033	1.4
187.07643	1.4
191.05603	12.5
191.07173	0.7
211.07625	0.6
221.04507	0.6
227.07138	2.4
229.08676	92.1
230.09035	0.6
255.04518	0.3
255.06604	24.0
273.07663	30.7
289.06781	0.4
297.07779	0.4
349.18704	0.6
354.07135	0.4
383.07709	0.5
435.12958	100.0
436.13455	1.6
467.16034	0.4
486.68729	0.4
563.13770	1.5
565.14783	0.7
751.49701	0.4
921.00177	0.5
950.54486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51888	0.8
65.95866	0.9
69.10423	0.9
71.01382	15.6
73.02953	2.5
78.95939	1.1
83.01390	1.4
83.05046	5.5
85.02970	5.2
87.00898	2.3
89.02430	17.4
92.10860	2.0
94.94615	1.0
97.02950	2.5
101.02414	13.9
113.02422	6.1
119.03477	1.8
122.34382	1.2
125.02430	7.0
135.08208	1.3
143.03461	2.1
161.04572	1.7
163.11235	4.8
166.00127	1.2
179.05612	2.5
183.82663	1.2
191.05672	2.0
209.11824	100.0
221.06540	1.3
227.12830	8.6
235.08202	5.7
251.20174	1.1
277.21707	60.4
379.12299	7.6
397.13516	38.6
415.14453	7.6
580.02185	1.2
589.25281	1.2
607.26428	1.2
805.22528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.9
69.03447	0.4
71.01372	2.2
73.02942	0.6
78.65849	0.3
81.03424	0.6
83.05006	0.3
85.02938	9.2
86.80947	0.3
87.00855	4.7
89.02431	0.7
92.28178	0.3
93.03438	16.0
99.00861	0.4
99.04479	0.4
101.02435	1.2
108.02164	1.1
109.02947	2.5
111.04498	3.4
113.02469	0.6
125.02428	0.6
127.04003	1.9
129.01895	0.5
130.81505	0.3
133.02963	0.6
134.03703	2.3
135.04492	2.1
136.01633	2.5
137.02432	19.0
150.03249	0.4
151.04015	1.6
152.01076	0.3
153.01920	1.8
154.02699	1.4
155.03455	0.7
159.04338	0.3
160.01688	0.5
161.02386	0.5
166.05136	0.3
171.03018	2.4
173.04527	9.2
173.06010	0.4
174.03297	0.4
175.03854	0.4
177.01973	1.1
178.02707	1.4
179.03477	0.3
189.01984	0.4
189.04065	1.5
191.05600	100.0
192.05969	1.5
200.04842	0.4
201.09229	1.4
205.01256	0.3
213.05353	0.3
229.08714	3.7
231.10274	0.6
232.05867	0.5
233.06569	0.7
257.08176	12.4
275.09338	0.5
285.04050	2.1
340.07806	0.5
370.09018	2.9
397.22278	0.3
431.13510	0.4
449.14508	12.7
457.24576	1.2
461.07309	0.4
467.15594	23.7
468.15570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.0
69.03445	0.4
71.01376	1.3
72.99323	0.1
73.02956	0.2
78.21652	0.1
81.03458	0.4
83.05051	0.2
85.02952	7.0
86.03320	0.1
87.00872	3.4
92.10847	0.2
93.03449	11.9
94.19447	0.1
95.01376	0.1
97.33623	0.1
99.04525	0.2
108.02166	0.4
108.52131	0.1
109.02940	2.2
111.00883	0.2
111.04509	2.7
113.02455	0.1
115.03983	0.2
123.04474	0.2
125.02454	0.4
127.04009	2.1
129.01910	0.4
133.02927	0.4
134.03705	0.6
135.04500	0.5
136.01637	1.0
137.02432	3.2
147.66681	0.1
151.04007	1.0
152.54355	0.1
153.01900	0.1
154.02687	0.4
155.03510	0.5
160.01595	0.1
161.02409	0.2
171.02982	1.2
172.05312	1.3
173.04526	5.6
177.01918	0.4
178.02718	0.2
179.03426	0.1
183.04424	0.3
187.07637	11.7
188.08014	0.4
189.04106	0.4
191.05609	100.0
192.05960	1.4
193.06062	0.2
199.04025	0.9
200.04781	0.5
204.04330	0.2
211.04060	0.2
211.07608	0.2
213.09250	1.5
214.06337	0.1
215.07150	2.2
227.03517	1.6
228.04370	1.1
229.08717	0.7
231.10263	0.9
233.06604	0.4
255.06548	0.2
257.08191	10.9
258.08691	0.4
275.09219	0.7
285.04062	0.2
293.10297	0.2
370.08960	0.2
405.12003	0.2
449.14539	6.5
467.15564	14.9
468.15692	0.4
541.40088	0.1
667.21942	0.1
873.32782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	23.8
79.40857	2.8
82.43208	2.6
84.33334	3.0
85.02956	6.6
87.00843	6.3
89.02425	23.9
92.10147	11.5
101.02433	15.7
108.41513	2.8
113.02429	6.2
119.03492	7.3
141.91656	3.0
155.04918	3.2
179.05569	5.1
191.05580	28.2
197.11803	100.0
270.80322	3.2
277.21701	82.7
379.12534	6.7
397.13544	47.6
415.14355	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	917.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00307	1.9
67.01883	2.5
69.03453	0.7
71.01041	0.2
71.01373	1.7
71.24624	0.2
80.04131	0.2
81.03457	0.7
83.01360	1.2
83.05030	0.8
85.02934	8.8
87.00859	5.6
90.78784	0.1
93.03437	23.5
95.01361	0.2
96.54666	0.2
99.00883	0.2
99.04491	0.2
107.01376	5.6
108.02158	2.0
109.02951	2.7
110.44598	0.2
111.04504	4.0
113.02415	0.2
115.04014	0.2
121.02918	0.3
124.01606	0.4
125.02412	1.6
127.03973	1.6
129.01889	1.7
132.02158	0.9
133.02940	0.4
134.03719	10.8
134.04741	0.4
135.04501	28.2
136.01637	5.3
137.02425	33.3
138.02745	0.2
138.29164	0.2
143.03575	0.2
151.00352	38.3
151.03922	1.7
152.00690	0.4
153.01910	1.1
154.02699	3.1
155.03500	1.1
160.01649	6.0
161.02444	0.7
168.90594	0.2
169.01392	0.3
171.02997	4.7
173.04524	13.2
177.01886	1.3
178.02690	1.6
179.03482	1.1
181.05052	0.3
187.07649	0.8
189.04028	2.4
191.05598	100.0
192.05896	1.6
208.47557	0.2
213.09137	0.2
215.05504	0.3
229.08693	0.2
231.05284	0.2
231.10277	0.9
232.05898	1.0
233.06648	1.2
257.08182	2.9
262.12955	0.2
264.04745	0.2
271.26367	0.2
285.04282	0.2
287.05594	17.3
288.05701	0.3
293.10510	0.3
321.78766	0.2
351.07227	0.4
352.07922	0.8
369.08356	0.2
370.09030	3.6
437.14462	0.8
449.10294	13.4
450.11337	0.4
467.15567	58.9
468.16037	2.7
822.21881	0.2
853.45453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26260	1.4
71.01370	17.0
71.96275	1.4
82.78957	1.5
83.01390	2.4
85.02953	3.1
86.04041	1.7
87.00879	3.1
89.02436	20.0
91.75472	1.4
97.02935	1.8
101.02411	15.5
113.02428	6.4
118.50523	1.5
119.03535	1.7
125.02481	3.9
143.71587	1.4
161.04520	2.0
169.12323	6.7
179.05588	3.7
191.05595	14.0
197.11813	100.0
218.43799	1.6
221.06624	1.9
235.08200	2.3
277.21713	51.3
324.70178	1.7
379.12402	3.6
397.13528	31.7
415.14526	3.7
577.24786	5.6
587.39868	1.8
595.25995	3.6
888.18506	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	915.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	1.7
67.01914	0.5
71.01363	1.9
78.79476	0.2
83.01412	1.3
85.02944	4.5
87.00896	1.1
88.23717	0.2
91.01881	0.2
92.10120	0.6
93.03448	1.8
95.01399	1.0
99.00908	1.0
107.01382	6.8
108.02213	0.4
109.02969	1.1
113.02449	6.1
113.03190	0.5
121.02966	1.0
125.02450	1.9
133.03006	0.4
135.00905	0.4
135.04503	17.1
148.01659	0.6
151.00352	34.5
153.02023	0.3
161.02467	0.6
163.00333	1.7
164.01190	0.4
169.01428	1.0
173.04659	0.3
175.02473	2.1
175.03914	0.5
177.01921	0.4
178.99814	3.8
183.04413	0.3
188.04811	0.4
188.08014	0.3
190.02579	0.4
190.99876	0.4
191.05583	9.4
192.05945	1.4
198.03281	0.4
199.04062	0.4
204.04149	0.3
211.04047	0.6
215.03619	0.3
216.04231	0.5
226.02681	3.8
227.03517	2.5
243.02979	13.2
245.04497	0.4
254.02184	5.4
255.02995	10.8
256.03397	1.1
271.02466	66.3
272.03033	3.5
273.03241	0.6
283.02426	0.6
285.03970	3.1
286.04410	1.6
287.05569	8.7
300.02744	81.6
301.03467	22.2
302.03531	2.5
303.03983	0.4
327.05017	0.4
343.04510	0.4
449.15131	0.9
450.14960	0.5
461.06989	0.5
462.07605	0.4
462.19495	0.3
463.08807	100.0
464.09216	3.6
465.09467	2.0
762.65521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.7
71.01363	1.2
71.48182	0.2
72.99301	1.9
83.01410	0.5
83.05028	0.3
85.02965	2.2
87.00880	2.5
87.01334	0.3
89.96017	0.3
93.03439	6.8
109.02926	2.6
111.04516	1.8
112.51538	0.4
125.02417	0.7
127.04002	0.4
133.02919	6.2
134.03719	0.4
135.04541	1.5
137.02408	0.6
149.02417	0.7
149.06073	0.4
151.03929	0.6
161.02390	1.3
161.06059	0.6
163.04008	0.6
173.02336	0.4
173.04532	4.9
175.03960	2.2
177.01894	1.9
177.05562	0.6
177.09334	0.4
179.03456	0.5
187.07611	1.8
189.05611	0.4
191.03773	1.3
191.05605	29.9
201.01955	1.3
201.05603	0.4
203.03470	1.5
203.07072	0.4
205.01474	0.6
205.05028	0.7
217.05046	0.7
219.03009	0.5
219.10158	0.4
224.16261	0.3
227.03514	1.1
231.10168	1.6
233.04480	0.5
239.07076	0.3
241.05042	0.3
243.02965	0.4
245.04602	0.3
249.11282	0.5
253.05095	0.5
255.02919	0.4
255.06850	0.5
257.08115	0.7
267.06589	0.5
282.05072	0.5
283.06003	1.2
284.03296	0.5
285.04037	1.5
285.07245	0.4
293.10385	1.4
295.06006	0.5
297.04010	3.5
298.04782	8.7
299.05588	4.1
309.04028	1.3
310.04800	0.7
311.05563	7.1
312.06375	10.0
313.07108	7.6
323.05576	1.9
325.07108	0.6
327.05112	7.6
339.05063	12.7
341.06595	4.8
344.05331	0.7
349.07584	0.4
351.05066	1.3
353.06396	3.1
357.06152	4.6
365.18066	2.2
369.06152	36.5
370.06531	1.4
371.07605	0.6
381.06119	4.8
393.06253	0.8
395.07928	0.6
399.07193	39.2
400.07535	1.5
411.07397	4.2
423.07336	2.3
429.08295	9.6
441.08206	7.5
442.08807	0.4
447.09354	3.5
449.14496	1.6
453.08484	1.8
459.02927	0.6
459.09375	14.5
460.09509	0.4
467.15588	17.9
468.15695	1.2
471.09296	1.8
489.10382	3.6
531.11212	0.5
549.12506	100.0
550.12842	4.4
563.78497	0.4
813.92487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.6
67.02528	0.3
71.01363	2.2
73.02956	0.6
73.24210	0.2
76.50142	0.3
83.01392	0.3
85.02936	2.5
87.00890	2.2
89.02461	0.5
93.03432	5.3
99.00809	0.3
99.04533	0.3
101.02445	1.5
104.24733	0.3
107.01404	0.6
109.02937	0.7
111.04531	0.6
123.04531	0.3
125.02415	0.7
125.93738	0.3
127.04005	0.4
131.05222	0.3
133.02930	6.2
134.03738	2.1
134.43230	0.3
135.04532	3.2
136.01585	0.6
136.04831	0.4
137.02426	5.5
137.09686	0.3
143.03459	0.4
147.04483	0.4
149.02475	1.3
151.00371	3.3
153.01935	0.4
160.01654	0.7
161.02432	0.5
161.04527	0.4
171.02939	0.4
173.04535	4.3
175.04002	2.3
177.01900	1.6
178.02679	0.4
179.03487	0.4
183.36115	0.3
191.05605	26.4
199.04028	1.8
201.01894	0.6
217.05061	1.4
233.20100	0.4
241.04999	0.5
243.02866	0.6
255.02771	0.3
256.03802	1.6
257.04297	0.4
257.08319	0.4
267.02945	0.4
284.03268	3.4
285.04044	100.0
286.04269	2.9
287.04895	0.5
293.04184	0.4
297.04086	1.1
301.03439	0.5
311.05429	0.5
340.05386	0.4
343.04691	0.4
370.08994	0.5
447.09338	30.3
448.09888	1.9
449.14597	1.5
459.09238	0.4
465.08252	0.4
467.15497	10.6
468.16245	0.4
938.81506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	3.2
69.03461	0.9
71.01382	1.9
72.99297	2.6
73.02958	0.4
81.03458	1.1
83.05017	0.8
85.02944	8.1
87.00864	6.0
89.34918	0.2
93.03442	24.8
97.02957	0.4
99.00866	0.3
99.04514	0.6
101.02477	0.3
109.02921	2.9
111.04510	3.7
113.02470	0.4
115.00419	0.2
120.02757	0.2
120.89561	0.2
121.02932	1.1
122.03722	0.5
123.04485	1.1
125.02433	2.0
127.03968	2.4
129.01901	0.5
133.02928	4.8
135.04524	1.3
137.02420	6.5
147.04478	1.1
149.02440	1.2
151.03946	0.4
155.03456	1.2
158.03896	0.3
159.04495	1.2
161.02412	1.6
163.00331	1.0
163.03960	1.7
164.01210	0.3
165.01935	0.9
171.02954	0.4
172.05162	0.3
173.04529	11.0
173.05981	0.9
174.03195	0.5
174.06856	1.3
175.03976	1.7
176.04662	0.4
177.01978	0.5
177.09210	0.9
178.02676	0.2
178.06064	0.2
179.03528	0.4
187.04008	1.5
187.07640	3.9
188.04736	1.9
189.01857	0.3
191.05597	100.0
192.05907	1.5
193.01349	1.0
199.04028	0.8
200.04797	0.3
201.05554	0.3
201.09209	0.4
202.06343	1.3
202.09998	2.3
203.07187	1.0
203.10742	6.1
205.08641	1.1
213.05588	0.5
213.09196	1.1
215.07098	0.5
219.10237	1.0
225.05589	0.3
231.10236	12.2
233.08266	0.3
240.04294	0.3
243.02872	0.4
245.04468	0.3
249.11255	2.1
253.04988	0.8
255.06865	0.4
257.08261	3.0
269.04269	0.3
271.06033	0.3
275.09317	2.2
281.04614	0.5
284.03177	4.0
285.04016	2.9
293.10199	1.3
297.03989	7.7
298.04813	4.4
299.05585	7.6
309.03983	0.3
311.05557	1.3
324.02557	0.4
325.03540	0.3
327.05075	34.4
328.05457	1.3
329.12360	0.4
339.04990	1.0
357.06119	9.4
357.10345	0.5
358.06271	0.3
369.06094	1.5
447.09329	20.1
448.09695	0.5
449.14581	6.0
467.15567	49.5
468.15930	1.4
484.59143	0.2
547.14764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68986	0.4
67.01892	2.3
71.01380	2.4
72.99301	3.2
73.02917	0.4
77.63258	0.4
80.43028	0.4
81.03458	0.7
85.02941	8.3
87.00854	6.1
89.28530	0.4
93.03439	23.6
96.96042	0.6
109.02957	2.8
110.24816	0.5
111.04507	4.0
121.02952	1.8
123.04510	1.7
125.02427	2.3
127.04002	1.8
129.01941	0.7
133.02939	6.7
134.03801	0.5
135.04492	2.0
137.02452	1.9
146.03641	0.5
147.04486	0.7
151.03896	0.7
155.03482	2.3
159.04445	0.8
159.98576	0.4
161.02390	2.0
162.03171	0.5
163.04141	0.4
166.94328	0.5
167.03508	0.6
173.04556	10.6
173.05983	0.7
173.22832	0.5
174.03180	0.9
175.03986	2.4
176.04744	0.8
177.01924	1.1
177.09140	3.7
179.03461	0.9
187.04010	1.0
187.07590	4.6
189.05582	0.8
190.06184	0.8
191.05600	100.0
192.05959	1.1
201.01845	0.7
201.05676	0.6
202.06386	2.3
202.99771	0.5
203.03407	0.9
203.07111	2.3
205.08627	3.5
213.09177	0.8
215.07068	0.8
217.05086	0.9
219.10329	0.6
220.79895	0.5
227.03601	0.5
231.10226	4.7
233.08243	0.8
249.11333	2.8
254.05913	0.7
255.06526	0.6
257.08221	2.8
259.09729	0.7
267.06616	0.6
275.09277	2.7
284.03265	1.0
285.04132	3.5
293.10248	2.2
297.04004	7.0
298.04797	8.0
299.05566	5.1
309.04025	1.1
310.04944	0.6
311.05600	6.8
312.06467	5.8
313.07211	6.3
323.05652	1.1
325.07297	1.9
327.05042	14.5
339.05051	8.9
340.05612	0.6
341.06619	4.3
344.05264	0.6
351.05072	0.9
353.06601	3.1
357.06122	11.9
365.07129	0.6
369.06137	28.3
371.07959	0.6
381.05923	3.7
399.07193	28.0
411.07266	3.5
423.07285	2.1
429.08258	6.4
441.08282	5.2
447.09274	13.0
448.09631	0.8
449.14716	5.0
453.08173	0.7
459.09351	9.4
467.15567	58.9
468.15668	0.9
471.09344	1.0
489.10410	3.1
549.12524	64.3
550.12830	0.9
617.35187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.0
67.01885	2.7
68.61384	0.4
69.03432	0.4
71.01360	4.3
81.03459	0.7
83.01368	0.6
83.04997	0.6
85.02928	9.9
86.03284	0.6
87.00845	5.1
89.02412	2.1
93.03432	23.0
95.01366	0.5
95.02917	0.4
97.02928	0.7
99.00852	0.9
99.04453	0.5
101.02440	0.7
106.77015	0.6
107.01377	3.1
108.01706	0.5
109.02954	3.9
111.04538	3.6
113.02413	3.7
119.04980	0.6
121.02964	0.8
125.02419	5.4
127.03968	1.1
129.01938	0.6
133.02910	12.3
134.03723	1.8
135.04489	11.7
136.01631	2.0
136.04831	2.4
137.02432	2.7
137.05023	0.5
145.03049	0.4
147.04491	1.9
149.02374	1.9
151.00346	15.2
152.00656	4.8
153.00781	2.2
155.03477	0.8
159.04422	0.5
160.01718	0.7
161.02400	2.6
163.00359	2.2
163.04024	3.2
165.01917	1.0
173.04521	9.0
174.03162	0.7
175.02469	0.7
175.03963	3.1
177.01875	1.8
187.03970	0.5
187.07625	3.1
191.05585	100.0
192.05959	2.1
193.01443	2.0
197.06133	0.6
199.03969	1.7
200.04790	0.5
201.01929	0.8
203.03485	0.6
203.10680	0.6
212.04897	0.5
213.05536	1.7
213.09181	0.9
215.03435	0.6
223.69337	0.5
225.05490	0.8
227.03566	0.4
227.07062	0.5
229.01338	0.8
229.08615	0.9
231.06740	0.5
231.10307	0.9
233.06497	0.6
237.05547	0.5
240.04301	0.9
243.02979	0.7
253.05177	1.0
255.02971	0.8
255.06514	0.5
257.04431	0.5
257.05460	0.6
257.08112	6.9
269.04343	0.6
275.09216	1.0
281.04346	0.6
284.03271	9.5
285.03992	11.4
287.05511	2.8
288.05783	2.2
289.06192	2.1
297.04004	19.2
298.04813	10.6
299.05606	19.5
311.05652	2.6
325.03415	2.1
327.05078	89.4
328.05356	2.9
339.05118	3.9
341.06586	2.0
343.07300	0.6
353.08795	1.0
357.01682	0.8
357.06143	25.8
369.06082	3.5
393.06183	0.7
447.09293	51.7
448.09680	2.1
449.14481	15.2
463.08578	3.5
464.09091	3.0
465.09329	4.1
466.09705	2.2
467.10757	1.4
467.15549	32.2
468.15353	0.7
812.56903	0.5
839.43445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64130	0.3
63.95446	0.3
65.00294	0.4
67.01898	2.8
68.45834	0.3
69.03458	0.6
71.01385	1.9
72.99321	0.8
73.02955	0.4
83.01373	0.4
83.05041	0.4
85.02938	7.4
87.00859	6.1
93.03442	23.7
95.49660	0.3
99.00838	0.4
99.04525	0.6
101.02403	0.4
101.19904	0.3
107.01367	2.4
108.02170	0.7
109.02940	5.8
110.10559	0.4
111.04495	4.6
113.02425	1.6
123.04520	0.8
125.02399	0.7
127.04024	2.3
129.01973	0.4
133.02930	2.6
134.03720	2.1
135.04520	4.3
136.01639	3.5
137.02420	7.1
149.02463	0.6
151.00346	8.2
151.03963	2.0
154.02701	0.8
155.03500	0.6
159.04480	0.6
161.02420	1.3
168.70358	0.4
170.26517	0.4
171.02965	1.4
173.04529	13.1
174.03036	0.4
175.03934	0.8
177.01952	2.7
185.06030	0.4
187.07573	0.8
189.01933	3.2
189.03682	0.6
189.05547	0.4
190.02586	0.7
191.05600	100.0
192.05971	1.3
199.04030	0.7
205.01317	0.3
205.08784	0.4
205.29973	0.3
213.09230	1.7
216.00658	0.4
217.01419	3.6
217.04897	0.4
219.02998	0.8
227.03419	0.5
231.02980	0.7
231.10265	1.9
233.06596	1.5
233.08658	0.4
243.03009	0.5
255.02861	2.7
256.03604	1.8
257.08151	4.6
261.02878	0.4
261.05908	0.4
271.02475	4.3
275.09164	0.6
284.03241	31.7
285.04022	59.0
286.04352	2.1
287.05609	1.6
300.02713	8.6
301.03378	4.5
302.03357	0.5
341.06619	5.6
370.08698	0.6
375.32028	0.4
431.13565	0.5
447.09335	37.6
448.09644	1.5
449.14725	6.9
449.20398	0.6
450.14539	0.4
451.10364	4.9
463.08862	6.2
464.08826	1.4
467.15552	46.1
468.16138	1.6
481.17215	0.5
704.14178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02167	0.4
68.66718	0.5
68.92117	0.4
81.03448	2.3
83.01353	3.7
85.02966	0.8
87.00861	0.8
92.10199	1.0
92.63702	0.5
93.03433	5.8
95.01391	0.6
95.05012	2.7
97.02940	5.7
99.04610	0.5
100.08364	0.5
107.05035	1.0
108.02154	0.7
109.02937	21.2
111.04527	0.7
117.03445	0.8
119.05007	1.0
121.02927	3.4
122.03732	0.8
123.04491	17.6
125.02418	100.0
133.02934	4.6
135.00972	0.4
135.04509	3.0
137.02423	24.6
139.03995	3.2
145.02913	0.6
146.03719	0.6
149.02414	7.8
150.03171	1.1
151.03986	17.9
151.05122	0.9
159.04524	3.9
160.05249	0.9
161.02417	29.9
161.06035	5.8
162.03181	2.7
163.00369	2.8
163.03995	6.0
164.01140	4.8
165.01880	5.3
167.03488	2.1
173.04562	1.2
173.06041	1.9
174.03133	0.7
175.03960	13.2
175.07605	0.8
177.01917	7.1
177.05518	1.1
178.02827	0.6
179.03470	6.8
185.06084	0.8
187.03989	9.0
188.04787	3.4
189.05614	1.0
191.05602	10.9
199.03961	1.0
201.05544	2.4
202.06354	1.2
203.03574	1.2
203.07156	13.6
205.01402	3.1
205.05034	9.6
211.04028	0.9
212.04823	0.7
213.05537	0.9
214.02730	0.7
215.03481	2.1
216.78438	0.6
217.05023	1.0
221.08180	1.1
225.05548	1.0
227.03461	2.7
227.07138	1.9
228.04251	1.2
229.05113	4.1
230.05850	0.6
231.02997	1.2
243.03012	4.1
243.06656	0.8
245.04471	5.3
245.08160	16.5
247.06046	2.2
255.02974	11.5
256.03732	7.2
257.04529	2.9
269.04584	2.5
271.06088	1.9
273.04001	5.1
281.04504	4.9
283.02393	3.3
285.04108	4.1
287.05600	7.5
289.07169	49.1
297.03873	1.0
299.05682	4.2
329.06769	0.8
339.08789	6.2
381.09830	2.2
389.06644	1.0
407.07703	54.8
408.07886	0.6
425.08780	44.0
451.10297	11.8
489.67047	0.5
559.12195	0.7
577.13580	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65657	0.3
67.01897	0.8
69.03448	0.5
71.01372	0.5
77.04316	0.4
81.03452	2.3
83.01368	4.7
85.02956	0.8
87.00864	0.8
93.03435	6.5
95.01370	0.6
95.05006	3.8
97.02917	4.1
107.05050	1.4
108.02168	0.8
109.02935	23.7
111.04488	0.7
113.72563	0.4
117.03439	0.8
119.04996	2.6
121.02909	4.6
122.03721	1.6
123.04497	17.9
123.05398	0.6
125.02418	100.0
126.02786	0.6
129.00525	0.3
131.05054	0.6
133.02936	4.5
135.04547	3.1
137.02420	26.8
138.03250	0.6
139.03975	3.8
143.04974	0.4
145.02946	1.7
146.03702	1.5
147.04475	0.9
149.01306	0.5
149.02422	7.0
150.03206	2.1
151.03983	18.7
158.03653	0.5
159.04500	4.0
160.05299	0.9
161.02417	31.7
161.06049	5.7
162.03204	2.7
163.00360	2.7
163.03996	6.7
163.05293	0.6
164.01128	6.0
165.01906	5.1
167.03465	2.6
173.04521	4.3
173.06029	1.3
174.03244	0.5
175.03969	13.3
175.07538	1.3
176.01099	0.5
176.04733	0.4
177.01907	7.4
177.05536	2.1
178.02650	0.7
179.03496	6.3
179.05016	0.6
185.06114	2.3
187.03976	9.9
188.04703	4.0
189.01894	0.5
189.05498	1.5
191.03787	0.8
191.05595	15.6
193.05032	0.8
199.03966	0.8
201.05557	2.5
202.06310	2.6
203.03468	2.2
203.07124	12.8
205.01584	3.5
205.03224	0.6
205.05060	11.0
211.03981	1.4
212.04866	0.7
213.05563	1.5
214.02681	0.6
215.03537	3.0
217.05049	2.1
217.08688	0.6
219.02882	0.5
219.06595	0.7
221.08092	2.8
225.05550	0.5
227.03510	2.9
227.07126	2.7
228.04268	1.8
229.05009	4.5
230.05754	1.7
231.02917	1.9
231.06606	0.6
241.04942	0.5
243.02953	4.4
243.06628	1.8
245.04530	5.2
245.08153	21.0
247.06084	2.5
253.05101	1.7
255.02982	13.7
255.06775	0.7
256.03729	8.2
257.04614	2.8
269.04529	2.8
271.06094	2.1
273.04025	6.1
281.04526	5.3
282.01785	0.7
282.05194	0.4
283.02472	3.0
283.05774	0.6
284.03152	0.6
285.04022	4.5
287.05576	9.2
288.02774	0.8
289.07156	56.8
290.07559	0.6
297.04239	0.6
297.07620	0.8
299.05603	5.0
321.07504	0.8
329.06534	0.7
331.08154	0.4
337.09308	1.5
339.08743	6.4
363.08832	0.5
381.09732	1.8
389.06619	1.6
407.07700	56.2
408.08176	0.9
425.08768	49.3
426.09030	0.8
451.04657	0.7
451.10370	12.9
487.57809	0.4
510.28879	0.5
533.14563	0.5
559.12695	2.2
577.13507	34.5
578.13452	0.5
739.28619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03461	0.3
65.00323	1.3
69.03465	0.3
69.51337	0.3
69.96153	0.3
71.01395	0.5
76.55582	0.3
83.01390	0.6
85.02938	1.4
88.90785	0.3
89.02419	0.3
92.10843	0.6
93.03439	1.3
101.02461	0.4
107.01365	4.0
108.02170	1.5
109.02935	18.4
113.02421	1.1
117.03433	0.4
119.04995	1.1
121.02945	3.2
122.03722	0.4
123.04501	11.1
125.02393	0.6
133.02943	2.6
135.00882	0.7
135.04523	3.2
137.02438	0.4
145.02960	0.5
147.04466	2.4
148.01669	1.8
149.02417	0.6
150.03197	1.3
151.00356	15.2
151.04007	5.8
159.04555	2.0
161.02412	5.9
163.00334	3.4
163.03938	0.4
164.01164	0.7
169.01320	0.5
173.04543	0.4
176.01111	0.3
177.01910	21.1
178.99825	5.1
187.03970	1.9
188.04836	0.5
189.01915	41.6
190.02707	10.2
191.03474	10.6
191.05579	6.9
192.00665	0.4
192.05898	0.5
199.04024	0.4
203.03506	6.1
209.11946	0.5
211.03970	0.6
214.02641	0.4
215.03471	0.5
216.00655	6.5
217.01407	34.9
218.02081	1.7
219.02982	13.1
226.02725	2.1
227.03452	3.3
229.05014	1.4
231.02951	11.4
232.03668	0.6
233.04567	0.6
243.02979	9.6
244.03427	0.5
245.04652	0.5
245.08093	0.4
254.02209	2.7
255.02965	27.1
256.03448	1.2
269.13904	1.7
270.14124	0.4
271.02469	57.8
272.02966	3.6
273.03662	1.3
279.06201	0.3
281.04437	1.3
283.02454	1.7
285.04044	2.2
286.04343	0.5
287.05573	1.9
289.07080	1.4
297.07596	0.6
299.01828	1.3
299.05325	0.4
300.02747	100.0
301.03485	41.2
302.03479	1.5
323.05481	1.4
325.06979	0.3
341.06662	67.0
342.07150	2.0
343.04471	0.4
447.08948	0.4
449.14798	0.4
449.20322	1.5
450.20850	1.1
451.10373	67.1
452.10480	2.2
461.07428	0.3
463.08838	66.1
464.09137	4.0
464.15048	0.4
465.09381	1.2
519.63843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.2
67.01881	0.4
69.03448	0.2
71.01373	2.5
73.02932	0.1
81.03439	0.2
83.01391	0.2
83.05009	0.1
85.02937	8.1
87.00855	1.5
89.02429	0.2
93.03438	3.4
95.01411	0.2
99.00875	0.6
99.04511	0.2
101.02438	0.1
107.01382	0.7
109.02966	0.9
111.04514	1.2
113.02423	1.2
115.00356	3.0
121.02950	0.1
125.02430	0.6
127.03994	2.2
133.02878	0.2
134.01871	0.1
135.04501	3.4
137.02431	0.3
151.00352	4.7
151.01564	0.2
155.03476	0.1
159.04550	0.2
161.02370	0.2
171.02994	0.3
171.04294	0.1
172.05292	1.2
173.04524	1.9
173.05916	0.2
175.02473	0.4
177.01897	0.1
183.04486	0.5
187.04080	0.2
187.07626	12.8
191.05600	100.0
192.06006	1.2
193.06024	0.1
199.03960	1.3
200.04747	0.7
201.05621	0.2
202.06354	0.2
204.04184	0.2
211.03995	0.1
211.07588	0.2
213.09224	1.3
215.07179	2.5
220.81390	0.1
225.67465	0.1
227.03485	1.7
228.04306	1.4
229.08650	1.0
231.10272	0.6
243.03032	0.2
255.02924	0.5
255.06613	0.2
257.08185	11.4
258.08548	0.2
271.02420	1.2
275.09146	0.8
284.03195	0.1
285.03976	2.1
286.04407	1.3
287.05615	1.7
300.02753	2.0
301.03464	0.7
320.81519	0.1
405.11783	0.2
449.14545	9.2
450.14917	0.2
461.07135	0.2
462.07556	0.4
463.08707	3.3
463.18198	2.0
505.09445	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.3
66.80418	0.3
66.83556	0.3
67.01889	0.7
69.03455	0.3
71.01371	2.4
83.01394	0.5
85.02948	7.1
87.00861	3.5
90.08237	0.3
92.10146	0.5
93.03442	13.4
99.00883	0.5
107.01393	2.4
109.02948	2.0
111.04501	2.4
113.02433	1.5
121.02942	1.5
125.02412	1.9
127.04015	1.5
132.84569	0.3
133.02928	1.2
135.04503	0.8
137.02449	0.4
144.61725	0.3
148.01668	0.8
149.02396	0.7
151.00349	12.6
151.06224	0.4
153.01970	0.4
155.90857	0.3
158.03738	0.5
159.04506	0.6
161.02376	0.6
163.00415	2.7
168.00214	0.3
169.01440	0.6
172.05261	0.4
173.04532	5.5
178.99828	5.0
183.04501	0.8
185.06064	0.4
187.04021	0.7
187.07634	5.4
191.05600	84.3
192.05965	1.5
199.04053	0.5
201.05490	0.6
202.06270	0.7
203.03577	0.4
203.10863	0.4
211.04185	0.6
213.05559	0.5
213.09201	3.4
215.07117	0.5
217.04971	0.4
222.79277	0.4
226.02719	1.2
227.03505	2.1
228.04327	0.8
229.05051	0.7
229.08644	0.4
231.10207	1.5
243.02943	7.9
244.03635	0.5
245.04504	0.6
254.02164	1.9
255.02974	21.9
257.08127	6.6
271.02460	45.7
272.00363	0.5
272.02966	3.4
273.03665	0.4
275.09186	3.5
276.09103	0.4
283.02463	0.6
285.04028	21.8
286.04364	0.5
287.05637	0.5
299.02075	1.8
300.02740	100.0
301.03476	36.1
302.03821	0.5
361.76834	0.4
431.13608	0.6
449.14587	17.3
461.07254	7.9
463.08807	80.1
464.09302	3.7
465.09476	0.5
826.14587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33450	0.1
70.53237	0.1
82.54282	0.1
86.93550	0.1
92.64111	0.1
123.47214	0.1
164.09488	0.1
168.30518	0.2
321.47702	0.1
407.33130	0.7
455.35294	100.0
456.35733	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	911.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	3.2
72.99313	0.4
75.00888	0.3
79.56517	0.2
81.35140	0.2
81.75649	0.3
83.01388	0.3
85.02940	7.1
85.03418	0.3
87.00840	1.8
89.02459	0.6
93.03448	2.6
95.01381	0.6
96.96046	0.3
99.00872	1.2
103.00414	0.2
107.01396	1.6
109.02973	0.9
111.00808	0.3
111.04494	0.4
113.02444	2.3
115.00388	0.6
117.01905	0.5
118.72076	0.2
125.02460	0.4
127.04005	1.2
133.02942	4.5
135.04509	1.3
143.04837	0.2
146.25256	0.2
149.02455	1.3
150.13737	0.3
151.00368	4.8
154.86456	0.3
161.02405	0.3
161.04623	0.2
171.03032	0.3
171.04457	0.4
172.05322	0.4
173.04558	1.2
175.02615	0.4
175.03992	2.4
177.01971	0.4
183.04552	0.4
185.06033	0.4
187.07639	6.3
191.05606	49.7
192.05963	1.1
197.06087	0.3
199.04057	2.5
201.01945	0.5
211.04109	0.3
213.05528	0.4
213.09254	0.6
215.03503	0.4
215.07173	0.6
217.05061	1.6
227.03572	0.9
228.04184	0.5
229.05121	0.5
241.01353	0.6
241.05144	0.5
242.02258	0.3
243.02960	0.6
255.03070	1.2
255.06686	0.4
257.04370	0.4
257.05399	0.3
257.08182	4.6
270.01743	0.4
271.02426	1.5
284.03265	0.5
285.04037	100.0
286.04440	2.3
300.02750	3.2
301.03458	1.2
323.57361	0.3
327.05212	1.1
329.71097	0.3
357.06046	0.5
380.29199	0.2
431.13623	0.3
449.14639	2.8
461.07269	36.2
462.07599	1.4
463.08841	0.6
463.18112	0.4
487.78455	0.3
505.09805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33199	0.3
65.00343	1.6
77.05089	0.3
79.01551	0.3
83.01414	1.4
85.02963	2.0
95.01391	0.6
99.00872	0.4
107.01386	5.9
108.02213	0.7
109.02946	1.4
113.02446	2.8
114.28783	0.3
121.02923	2.3
125.02433	1.1
133.02913	2.5
134.03630	0.3
135.00900	0.5
135.04515	7.3
148.01672	1.7
149.02441	1.8
151.00362	25.0
161.02493	0.4
163.00381	2.8
164.01134	0.6
169.01367	0.7
175.02541	0.7
175.03879	0.9
177.01894	0.4
178.99863	4.6
180.18628	0.3
183.04544	0.4
191.05656	1.6
192.00562	0.4
193.01320	0.5
198.03061	0.4
199.03984	2.3
201.05455	0.5
211.04051	1.7
214.02597	0.5
215.03433	0.6
226.02742	1.8
227.03450	3.1
229.05049	1.3
239.03429	0.5
241.01379	0.6
242.01933	0.4
243.02946	9.0
244.03763	0.5
245.01038	0.4
245.04535	1.7
254.02155	2.7
255.02985	23.7
256.03738	2.7
270.01611	1.3
271.02463	51.3
272.03070	2.8
273.03949	0.8
283.02426	1.6
283.99969	0.5
284.03247	40.9
285.04034	80.3
286.04330	5.1
287.05627	4.0
299.01862	1.9
300.02750	100.0
301.03522	39.8
302.03995	0.4
327.05200	0.7
343.05057	0.3
447.09332	45.8
448.09564	1.3
449.20486	0.4
461.07401	3.1
462.07550	0.4
463.08823	91.2
464.09457	2.0
904.26569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.6
68.05203	0.1
69.03444	0.2
71.01373	0.9
73.02944	0.3
80.64459	0.1
81.03454	0.3
83.01352	0.1
83.05024	0.4
85.02938	7.7
87.00864	2.1
88.61055	0.1
93.03439	4.9
95.01385	0.2
97.02963	0.1
99.00864	0.4
99.04520	0.4
101.02421	0.2
107.01363	0.1
109.02943	1.2
111.04538	1.2
113.02386	0.2
125.02405	0.4
127.03999	2.2
130.75967	0.1
133.02931	0.3
135.04518	0.6
137.02391	0.2
143.03519	0.1
151.00391	1.2
155.03506	0.1
161.02422	0.1
171.02957	0.4
172.05292	1.6
173.04538	2.3
173.05937	0.2
175.03882	0.1
177.01959	0.1
183.04468	0.6
187.07635	15.0
188.08084	0.1
191.05608	100.0
192.05916	0.9
198.06914	0.1
199.04013	1.3
200.04784	0.7
201.05580	0.1
202.06418	0.4
203.10892	0.1
204.04297	0.2
211.03835	0.1
211.07707	0.2
213.09204	1.8
214.06314	0.1
215.07126	2.7
227.03494	2.3
228.04298	2.7
229.08578	0.7
231.10249	0.7
232.03795	0.1
257.08185	10.2
258.08511	0.1
275.09244	1.0
285.04031	1.5
286.04437	0.2
287.05765	0.3
332.69180	0.1
391.18134	0.1
449.14597	26.6
450.14905	0.5
780.10291	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	911.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	5.7
67.01881	0.2
68.99802	0.2
71.01369	4.7
72.99309	0.8
73.02932	0.6
75.00858	2.1
77.36589	0.1
83.01368	3.6
85.02937	13.0
87.00851	1.4
89.02429	1.2
92.10076	0.3
92.37785	0.1
95.01369	3.9
96.53838	0.1
99.00863	4.2
103.00347	1.6
107.01377	15.8
108.99277	0.2
109.02940	1.3
111.00890	0.2
113.02435	20.4
113.50723	0.1
115.00333	1.2
117.01945	1.8
125.02420	6.2
129.01901	1.0
133.02925	1.6
134.03595	0.1
135.04504	62.3
136.04802	0.8
137.02460	0.2
139.74969	0.1
147.04486	0.1
149.02446	0.2
151.00352	100.0
152.00696	1.1
157.01389	0.2
159.04477	0.2
161.02432	3.1
163.00351	0.2
163.04024	0.2
165.01886	0.2
167.03517	0.3
169.01407	1.8
175.00229	0.2
175.02478	7.5
175.03909	0.5
177.01909	0.8
178.94458	0.1
191.03397	0.2
191.05688	0.2
193.01414	0.6
199.03992	0.2
201.05576	0.2
203.03569	0.2
217.01364	0.2
225.05588	0.2
269.04407	0.5
284.03253	0.6
285.04019	6.2
286.04343	1.8
287.05603	33.5
288.05908	0.8
297.04059	1.4
298.04712	0.9
299.05563	1.6
327.05099	4.5
327.08896	0.2
328.05475	0.6
339.05136	0.2
357.06119	1.1
447.09247	1.0
448.09787	0.4
449.09662	0.2
461.07339	1.6
462.07230	0.9
463.08813	60.3
464.09079	2.1
637.47662	0.1
771.27545	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	909.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.9
65.00317	4.5
71.01387	0.9
73.02937	0.9
83.01373	3.3
89.02442	0.2
92.10814	0.4
93.03471	0.3
101.02414	0.7
107.01376	13.2
109.02920	1.2
113.02434	0.3
125.02433	3.6
134.03745	0.3
135.04501	59.2
136.01639	0.5
136.04819	0.6
151.00354	100.0
152.00690	0.9
156.20763	0.1
161.02400	1.0
164.01126	0.8
165.01933	0.3
169.01454	1.5
174.03194	0.2
177.01929	0.3
191.05580	0.8
196.00114	0.3
201.02113	0.2
213.85695	0.1
223.03749	0.1
243.06686	0.1
255.02937	0.3
269.04605	0.8
283.02661	0.2
285.04004	1.1
286.04626	0.1
287.05600	46.6
288.06046	1.2
297.09775	0.7
327.05145	0.2
420.90518	0.2
449.10898	46.1
450.11298	1.9
500.31033	0.1
584.41003	0.2
772.41309	0.2
837.44556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	20.6
73.02972	3.1
81.03416	2.3
83.05038	3.8
85.02943	4.1
87.00862	2.6
89.02434	25.3
89.71461	2.0
90.42342	2.1
97.02967	4.3
101.02429	20.4
113.02438	10.4
116.92851	11.9
119.03539	3.7
125.02463	4.7
125.09673	3.4
155.10793	3.5
161.04518	2.4
163.11305	3.1
165.12798	2.9
171.10240	4.4
179.05617	3.0
191.05678	3.6
201.11314	77.0
209.11836	100.0
221.06612	2.3
227.12878	4.7
235.08214	4.4
277.21692	83.6
295.35526	2.1
341.06631	2.1
379.12302	9.4
397.13458	50.1
415.14578	16.5
485.32648	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	903.583
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	2.6
72.11092	3.2
76.23109	3.1
83.22970	2.7
85.92474	2.8
96.96000	3.9
108.07604	3.0
116.92796	3.7
168.44463	2.6
191.05608	13.0
201.24971	2.8
269.04364	2.6
327.05008	4.2
338.80475	3.6
439.32440	3.0
467.31555	4.0
485.32629	23.9
503.33810	100.0
504.34485	3.4
766.11176	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	907.452
Annotation	Unknow
Peak:m/z	Relative Intensity
75.85662	0.4
76.81914	0.3
82.63821	0.4
99.92573	6.6
109.05980	0.5
116.92841	100.0
116.97211	0.7
117.92850	0.8
136.37947	0.4
192.39096	0.4
233.81195	0.4
285.62668	0.4
333.83981	0.4
346.68832	0.4
888.50745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41401	1.2
70.18520	1.3
71.00976	3.4
71.01372	100.0
73.02943	29.1
78.88172	1.3
83.01371	13.8
85.02943	44.2
87.00873	5.5
89.02429	12.1
93.03473	3.1
95.01392	6.0
96.95997	2.9
97.02950	3.4
99.00867	14.6
101.02425	64.3
108.02184	1.7
109.03017	2.0
111.00893	1.9
113.02442	44.8
119.03508	2.2
135.00999	1.9
135.04529	7.7
137.02437	2.2
143.03453	2.7
152.01088	2.0
159.02969	9.0
161.04546	29.4
163.44852	1.4
184.62924	1.7
191.05606	15.1
209.86276	1.6
236.70226	1.4
243.06522	13.3
287.77701	1.8
315.18109	46.8
343.28445	2.7
357.19214	36.0
401.18015	2.0
405.11902	5.6
505.33926	59.9
506.14456	1.4
506.34207	2.1
518.32379	1.9
780.31226	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	903.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	0.5
67.01534	0.6
67.01881	12.1
69.03447	3.3
71.01366	6.5
73.02913	0.6
81.03442	2.3
83.05019	2.8
85.02950	2.1
87.00859	20.7
87.01400	0.7
89.02427	0.4
93.03437	100.0
94.03783	0.5
97.75027	0.3
99.00867	2.4
99.04495	2.0
101.02413	1.2
105.03441	1.4
105.14257	0.3
108.02183	0.4
109.02927	1.3
111.03733	0.6
111.04503	14.8
113.02441	2.4
115.03978	1.1
117.03407	0.3
121.02937	0.3
124.01672	0.3
125.02475	0.4
129.01118	0.3
129.01917	3.0
131.02061	0.3
132.02228	0.3
133.02930	3.6
134.03722	8.0
135.04498	7.5
135.08263	0.3
137.02431	0.6
143.03447	1.2
151.03995	1.2
151.28410	0.3
153.01970	0.3
155.03497	2.8
160.01654	1.5
161.02420	0.4
161.40131	0.3
162.03232	2.2
173.04517	37.7
174.04977	0.3
177.01889	0.4
179.03503	2.0
191.05580	16.0
192.05980	0.4
193.06013	0.3
231.10211	6.3
231.94093	0.3
242.29825	0.3
257.08282	0.6
275.09204	7.8
351.07159	0.5
352.07928	0.6
353.14880	0.3
359.20551	0.3
449.14536	90.5
450.14468	2.4
503.33640	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	903.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	5.6
68.57613	0.2
69.03439	2.0
71.01376	3.1
73.02924	0.4
75.77349	0.2
81.03436	1.4
83.05007	1.5
85.02936	6.5
87.00856	10.5
89.02414	0.5
89.03945	0.4
91.37344	0.2
93.03438	41.9
94.03725	0.3
94.61588	0.2
95.40910	0.2
99.00849	0.9
99.04501	0.8
101.02402	1.0
107.04919	0.2
108.02179	0.4
109.02914	1.0
111.00858	0.2
111.04510	7.0
113.02422	1.2
115.03977	0.3
116.57783	0.2
117.03426	3.2
119.03432	0.3
121.02927	0.9
124.01661	1.6
125.02406	1.4
127.04015	2.1
129.01907	0.9
132.02167	2.1
133.02942	2.0
134.03716	5.7
135.04507	19.6
136.05298	0.3
137.02390	1.1
143.03464	0.4
149.02390	0.3
149.04503	0.3
150.03168	1.3
151.03986	2.5
155.03473	1.5
160.00305	0.4
160.01640	11.2
161.02438	1.8
162.03239	3.0
163.03931	0.2
171.03070	0.3
173.04526	16.8
177.01888	1.2
178.02693	1.1
179.03468	4.5
180.04218	0.3
187.07587	0.7
189.05750	0.2
191.05598	100.0
192.05962	1.3
213.09236	0.4
215.05553	0.5
257.08167	3.4
275.09225	4.1
287.22168	0.8
307.08218	1.1
308.09012	1.8
350.29803	0.2
351.07260	2.8
352.07980	3.8
447.22122	0.3
449.14545	52.1
449.27283	2.7
450.14764	1.6
464.67392	0.2
489.76492	0.2
501.44781	0.2
647.39117	0.2
877.28564	0.2
908.60675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	14.6
78.87055	3.6
85.02947	5.9
87.00859	3.3
89.02449	16.6
101.02419	14.1
104.69147	3.3
113.72656	3.2
116.92861	6.6
149.68214	2.8
165.12776	6.9
171.10255	3.9
183.13905	52.9
191.05634	7.2
195.13863	5.6
209.11794	5.6
223.13275	4.5
272.77612	3.3
275.20264	10.8
293.21262	37.0
343.15952	3.0
397.13165	5.9
502.13983	3.5
889.27844	3.7
901.47864	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	903.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	3.0
71.01387	10.4
73.02970	2.4
80.32841	2.2
81.03418	2.1
83.05022	3.7
83.55833	2.2
87.00894	12.5
87.96528	2.5
89.02427	5.1
92.63957	2.4
93.03436	41.3
96.95954	3.0
97.28323	2.1
101.02423	4.0
111.04489	5.8
119.03523	2.5
123.13187	2.4
125.02412	3.5
135.04471	5.0
165.12956	3.4
166.95978	2.8
173.04588	17.1
174.78854	2.6
191.05605	36.7
209.09871	5.1
209.11815	100.0
227.12863	19.0
379.12332	6.1
397.13480	27.2
415.14630	5.1
415.85046	2.6
449.14679	23.8
503.33496	10.7
589.25049	2.9
607.26538	9.1
639.44983	3.0
767.73169	2.8
799.37646	4.0
903.39630	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09069	2.1
66.20026	2.0
71.01388	11.7
83.05046	4.4
84.06333	2.6
86.63527	2.3
87.00877	2.6
88.76382	2.7
89.02451	15.4
101.02449	14.3
113.02449	3.7
125.02442	5.6
139.23717	2.6
163.11267	4.5
185.46492	2.5
195.13942	3.4
209.11823	100.0
223.13481	3.3
227.12875	6.1
293.21210	92.9
397.13538	33.9
415.14526	10.4
487.34128	4.1
607.26703	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	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03432	1.2
69.03448	1.5
69.94421	1.1
71.01379	30.3
72.99303	1.8
73.02940	2.9
77.87144	1.7
81.03514	2.0
82.67198	1.3
85.02966	6.5
87.00883	6.6
89.02433	20.9
95.01376	1.7
95.04980	1.7
96.67207	1.2
97.02940	3.3
101.02422	18.8
109.06590	2.0
113.02444	9.8
116.92866	2.4
119.03452	6.2
125.02409	8.7
143.03432	1.5
161.04523	3.2
163.11230	4.5
171.10246	100.0
179.05573	6.7
191.05641	2.8
207.10255	12.3
222.33453	1.3
225.11327	41.6
234.10379	1.5
235.08153	3.2
240.28282	1.5
277.21713	66.7
294.21338	1.7
305.08557	1.7
379.12402	11.0
397.13568	31.1
415.14502	8.6
471.34830	2.6
533.02496	1.7
551.23267	3.3
569.24463	1.7
605.24420	2.1
623.25494	6.0
650.96643	1.6
675.36194	1.8
883.47021	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	901.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	4.3
73.02946	1.2
81.03459	0.7
85.02944	4.6
87.00895	2.6
89.02486	0.7
93.03457	7.2
96.96001	0.8
97.59322	0.5
101.02444	3.3
108.02171	8.1
109.02950	77.5
110.03307	0.8
113.02436	3.3
123.04494	1.1
125.02405	1.4
133.02939	1.3
135.04503	1.1
137.02402	1.1
151.04015	0.9
152.01155	7.4
153.01923	100.0
161.02408	2.7
161.04536	0.7
163.04018	0.8
173.04578	2.7
177.01898	13.0
189.01897	3.6
191.05608	13.2
217.01364	1.2
281.04568	1.0
283.02505	0.6
285.04156	0.9
331.17496	1.4
339.05026	1.0
341.06665	4.0
353.06778	0.6
449.14920	0.9
467.15387	1.3
469.16022	0.7
481.17352	4.4
482.17584	3.2
483.18515	13.7
749.13995	0.7
932.77002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96274	1.7
69.03468	3.8
71.01387	19.8
72.99303	2.3
73.02959	2.6
75.78070	1.5
79.84006	1.5
83.01391	2.0
85.02941	2.4
87.00852	2.0
87.70964	1.6
89.02425	15.1
97.02938	3.3
101.02417	14.9
110.37785	1.4
113.02459	3.3
125.02395	2.6
125.09657	2.3
132.93175	1.5
149.44809	1.5
161.09691	6.7
179.10764	11.5
197.11832	62.4
198.12166	1.6
274.70935	2.0
277.18823	3.3
277.21695	58.8
277.24783	2.5
427.28342	1.7
471.34811	6.8
899.46350	100.0
900.47198	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	899.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21959	6.6
71.01361	8.2
77.81311	5.5
84.92056	6.1
90.79165	6.7
93.34853	5.4
96.35457	5.8
101.02415	6.5
116.58743	5.9
135.46313	6.6
141.01669	25.4
209.11769	100.0
227.12828	11.4
255.23235	36.0
277.21585	10.6
397.13556	43.3
899.48041	42.3
907.43713	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	901.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39360	0.3
67.01888	0.4
71.01393	1.4
73.02935	0.4
78.85572	0.3
79.01891	0.3
79.70516	0.3
85.02932	3.8
87.00900	0.6
87.13277	0.3
93.03447	4.5
109.02927	2.5
111.04511	1.3
117.03430	4.1
117.84454	0.3
119.05029	0.7
125.02442	0.6
127.03991	1.3
128.95540	0.3
135.04517	2.1
137.02419	0.4
141.75484	0.3
145.02951	0.4
147.04523	1.1
149.02452	0.7
149.06032	0.3
151.00293	0.3
155.03464	0.4
159.04463	0.4
161.02443	2.9
161.06023	0.4
163.03992	1.7
171.03033	0.3
173.04547	2.5
175.03966	1.5
177.01933	1.3
177.05573	1.2
179.03462	0.4
187.04065	0.4
189.01952	0.5
189.05722	0.5
191.05595	67.5
192.06035	0.5
203.03508	1.1
205.05031	0.5
213.01738	0.3
217.05049	0.4
221.04518	0.3
225.05656	0.3
227.03453	0.4
229.01430	0.3
231.02963	0.4
233.04480	0.6
237.05301	0.4
241.04829	0.5
245.04494	2.0
251.07234	0.5
253.08665	0.4
267.06699	0.4
268.07263	0.7
279.06644	0.3
281.04633	0.5
282.05270	1.9
283.06119	3.9
295.06119	5.7
296.06940	2.9
297.07672	20.0
298.08115	0.4
307.06055	1.7
309.07819	2.6
311.05606	3.0
323.05655	4.0
324.06296	1.5
325.07117	7.4
328.05869	5.0
335.05682	1.9
337.09787	6.9
341.06723	0.5
347.93842	0.4
349.06897	0.4
353.06641	36.3
354.06989	0.7
355.08276	2.0
356.05252	1.2
361.07169	0.4
365.06653	6.4
367.08139	0.5
370.55899	0.3
379.07971	0.5
383.07718	33.1
384.08069	0.5
389.07025	0.4
395.07733	3.3
397.09280	1.1
407.08096	1.1
413.08856	4.9
425.08881	4.3
443.09787	6.6
455.10043	0.5
473.10886	4.0
503.11829	2.4
545.12933	1.0
563.14050	100.0
564.14240	2.8
901.23608	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	4.2
71.01374	17.4
71.05002	1.4
72.99312	1.7
73.02962	1.9
75.23454	0.9
76.23002	0.9
77.71962	0.9
83.05091	0.9
84.21410	0.9
85.02953	5.3
87.00871	2.6
89.02436	15.6
95.01367	1.1
95.98763	1.1
97.02958	2.3
99.00822	1.4
101.02425	16.6
104.79919	1.2
106.42797	1.0
113.02456	8.1
116.92883	2.3
119.03497	2.7
125.02426	4.6
125.09647	1.5
151.11281	1.9
161.04506	1.3
161.09668	2.7
179.10774	6.9
191.05579	5.0
197.11821	99.5
205.71179	1.3
206.36743	1.1
220.36465	1.2
221.06641	2.2
223.09567	1.7
224.50729	1.0
237.60901	1.1
241.10757	6.2
277.21722	36.5
336.12082	1.2
397.13397	1.6
466.67764	1.5
872.86359	1.3
899.46429	100.0
900.47015	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	899.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02413	0.9
65.00325	5.3
65.00648	0.2
67.01914	0.1
75.07513	0.1
83.01382	3.3
83.01843	0.2
87.00861	0.3
92.10958	0.1
93.03436	2.1
107.01380	15.6
108.02219	0.2
109.02939	1.4
111.04510	0.2
111.38950	0.1
125.02423	3.7
134.03734	0.8
135.04506	64.0
136.01656	0.5
136.04842	0.5
151.00354	100.0
152.00693	0.6
159.04543	0.2
161.02402	1.0
164.01137	1.0
165.01894	0.6
169.01399	1.2
173.04536	0.6
174.03175	0.1
177.01883	0.8
191.05637	2.8
196.00119	0.2
199.04036	0.2
201.01994	0.2
227.68100	0.1
257.08182	0.4
269.04495	0.7
286.04730	0.1
287.05591	42.3
288.05920	1.0
297.09790	0.7
307.90021	0.1
323.07678	0.2
449.10840	40.5
450.11276	1.5
457.83167	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	899.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	13.0
67.32957	0.3
69.03452	4.1
71.01363	5.2
73.02943	0.9
81.03449	2.7
82.21513	0.5
83.01363	0.4
83.05019	2.1
85.02940	12.4
87.00861	21.0
87.01399	0.7
87.04478	0.4
93.03438	100.0
94.03766	0.6
95.01376	0.7
96.96005	1.5
99.00860	2.1
99.04508	2.1
101.02392	1.9
108.02184	1.8
109.02927	6.3
111.04505	15.7
113.02437	3.1
115.04015	0.6
119.05017	4.9
121.02908	0.5
123.00867	5.6
123.04512	1.9
124.01636	11.0
125.02405	0.7
127.03999	1.8
129.01926	3.5
133.02934	4.3
134.03726	13.6
135.04506	6.5
136.01633	4.0
137.02429	50.0
139.04007	8.3
139.11299	3.0
143.03461	0.9
150.03064	0.5
151.00336	0.7
151.04004	3.3
153.01907	2.1
154.02689	3.9
155.03439	3.7
160.01653	0.6
161.02426	0.6
161.04523	1.9
171.02982	4.7
173.04536	46.6
175.03906	0.5
177.01926	3.1
178.02704	7.6
179.03462	3.5
183.10262	6.3
189.01901	0.7
189.03966	1.8
191.05608	99.9
192.05954	1.9
199.03987	0.4
208.40909	0.4
231.10284	0.8
232.05940	0.8
233.06598	1.7
243.02785	0.5
251.12105	0.4
257.08270	1.4
264.04865	0.8
269.17441	1.6
275.09213	0.9
284.03046	0.5
285.04034	28.5
286.04285	1.6
293.10278	1.8
301.09094	0.5
311.05545	5.5
319.35553	0.4
340.08032	2.0
341.06610	0.7
352.07944	1.7
369.08139	0.6
370.08990	4.8
437.14633	0.8
449.08731	3.6
449.14499	27.1
450.15149	0.8
467.15485	99.4
468.16245	2.8
595.28314	0.5
890.64661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02395	0.3
64.33569	0.3
65.00314	0.4
73.07240	0.2
75.25298	0.2
83.01382	0.4
85.02933	0.6
87.00876	0.5
89.02435	1.6
93.03442	1.8
95.04998	1.1
99.04486	0.3
101.02428	0.6
103.05516	0.4
105.03469	0.4
107.01395	1.7
107.05024	0.3
109.02937	20.5
110.03306	0.3
113.02443	0.4
117.03438	0.4
119.03478	0.5
119.05014	0.5
121.02953	1.0
122.03738	0.4
123.04498	11.3
127.03944	0.3
133.02925	6.6
134.03691	1.1
135.04485	1.4
145.02951	0.6
147.04483	3.0
148.01625	0.3
149.02426	2.0
150.03230	0.4
151.00357	4.1
151.03987	6.3
159.04469	1.1
161.02437	5.6
161.06105	0.3
162.03210	0.3
163.03998	0.6
175.03941	2.6
176.01071	0.5
177.01906	24.0
183.04422	0.3
187.03978	1.9
188.04724	0.3
189.01915	49.1
190.02698	11.1
191.03471	11.3
191.05577	9.8
192.05933	0.5
199.03995	1.5
200.04718	0.4
201.01877	1.1
203.03500	6.2
207.13838	1.1
209.11818	4.0
210.12122	0.3
211.03938	0.6
212.04767	0.4
213.09145	0.3
215.03427	0.3
216.00613	8.9
217.01407	40.6
217.04842	1.2
218.02151	2.3
219.02975	16.1
225.14883	1.6
226.15295	0.3
227.03487	0.6
229.08659	0.3
231.02988	12.7
232.03694	1.1
233.04497	1.0
241.05029	0.6
243.03040	0.4
251.12935	0.6
255.03001	1.0
255.06520	0.4
256.03754	2.7
257.04562	0.5
269.13922	5.0
270.14319	1.4
281.04474	0.6
284.03241	54.7
285.04016	100.0
286.04306	8.1
287.04581	3.2
288.05151	0.3
289.07236	2.1
297.04169	0.4
297.07678	0.5
323.05640	2.4
327.05234	2.3
341.06650	83.2
342.06873	1.2
417.08090	0.3
447.09323	44.4
448.09561	5.0
449.10236	2.7
449.20255	11.7
450.20746	2.9
451.10352	74.8
451.20673	2.5
452.10553	1.9
470.47858	0.3
521.46558	0.3
547.40259	0.3
551.21777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	99.5
74.12860	3.0
78.95905	5.0
84.43433	3.2
85.02958	6.5
87.00905	4.6
89.02419	28.3
97.02962	7.6
99.00909	4.5
101.02463	22.6
113.02457	8.9
114.49424	3.8
125.02437	6.2
171.10257	59.7
199.09756	6.0
201.11363	7.5
207.10298	33.9
225.11380	24.3
246.32298	3.6
255.23286	100.0
273.02100	4.3
397.13425	45.3
400.73074	4.8
408.04898	4.1
415.14972	12.9
433.47412	4.2
456.59448	4.3
861.48456	15.2
897.50000	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	897.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	4.5
83.05036	1.0
84.02123	7.5
86.71984	1.1
89.02402	1.9
92.10249	1.6
92.10739	1.4
97.06566	5.0
99.04501	1.8
101.02427	4.8
107.62289	0.9
109.60912	1.2
113.02391	1.6
116.92876	1.8
119.03506	1.3
120.24982	1.2
171.10294	8.8
183.13884	7.9
192.43117	1.0
193.12294	6.7
211.13338	2.1
225.15001	10.1
235.08212	9.8
243.16031	4.3
253.09297	11.6
257.71854	1.1
277.21680	100.0
291.19711	1.5
326.09137	1.2
341.23291	74.0
546.28705	1.2
601.44141	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	897.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
99.37199	14.9
112.15043	16.1
163.11194	17.1
196.76659	14.2
207.10229	80.2
225.11266	32.0
255.23233	77.2
260.82248	16.5
275.12805	16.2
391.90140	16.0
397.13519	29.4
432.85480	17.6
458.26349	16.5
587.89502	19.1
861.48651	100.0
897.46509	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	16.4
89.02441	21.5
92.10156	15.0
92.64261	3.5
97.02910	3.5
99.83566	3.0
101.02438	15.6
105.18628	3.1
109.06578	16.7
113.02423	5.3
150.17349	3.3
156.21352	3.4
163.11253	6.3
207.10269	73.4
225.11305	39.9
235.08369	3.6
255.23274	71.1
257.37204	4.1
281.37064	3.6
379.12488	5.9
397.13498	61.9
415.14581	14.0
455.35358	17.0
455.51990	3.4
623.25830	3.8
635.37030	4.0
653.37555	15.5
843.46558	5.6
861.48480	100.0
862.49182	3.9
897.45905	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.5
67.01891	13.1
69.03452	4.3
71.01375	6.1
71.04952	0.2
73.02951	0.5
75.00870	0.4
75.48716	0.3
81.03447	2.4
83.05018	2.2
85.02945	2.9
87.00870	18.9
89.02445	0.6
93.03445	100.0
94.03755	1.0
97.02937	0.3
97.06635	0.3
99.00859	2.0
99.04494	2.2
101.02426	0.5
102.02763	0.3
103.04005	2.0
105.03432	1.0
109.02955	2.1
111.04514	14.8
113.02433	1.8
115.03974	1.3
121.02898	0.4
123.04470	0.3
124.01630	0.4
125.02409	1.2
126.03157	0.3
127.04002	0.4
129.01927	3.9
133.02937	4.1
134.03716	8.9
134.77788	0.3
135.04503	11.3
135.37068	0.3
137.02431	4.3
143.03465	1.3
150.03156	0.5
151.03981	1.4
155.03499	3.9
160.01671	2.2
161.02379	1.5
162.03221	3.0
173.04518	40.5
177.01913	1.5
178.02684	0.4
179.03429	3.0
181.05052	0.3
191.05602	20.6
231.10245	5.2
247.54465	0.3
257.08127	0.4
275.09235	7.1
276.09601	0.3
285.03949	1.1
307.08035	0.3
308.08743	0.4
351.07172	0.4
352.08066	0.6
375.20175	0.3
449.14520	98.1
450.14999	2.2
481.16788	0.6
897.35541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	7.5
69.03433	2.0
71.01364	3.7
71.04977	0.2
73.02924	0.3
77.60317	0.2
81.03445	1.5
83.05008	1.7
85.02466	0.4
85.02942	7.3
87.00855	10.9
89.02447	0.4
89.03962	0.5
92.10081	0.3
93.03438	53.6
95.01355	0.3
99.00874	1.1
99.04496	1.1
101.02403	0.8
108.02157	0.3
109.02941	1.3
111.04511	8.6
113.02417	1.3
115.04011	0.2
117.03442	3.4
121.02911	0.4
124.01633	1.4
125.02402	0.5
127.03970	2.0
129.01875	1.7
132.02156	1.9
133.02940	2.1
134.03712	7.2
135.04503	19.3
136.04861	0.2
137.02396	1.3
143.03502	0.4
145.02937	0.3
150.03233	0.9
151.03996	3.2
155.03508	1.5
160.01642	10.6
161.02463	1.7
162.03221	4.3
163.03943	0.4
165.01923	0.2
173.04523	19.5
177.01917	1.7
178.02690	0.9
179.03505	4.1
180.04280	0.4
187.07646	0.5
190.02748	0.2
191.05598	100.0
192.05957	1.0
194.02087	0.3
213.09222	0.4
215.05646	0.3
230.08559	0.2
231.10265	0.3
233.49931	0.2
254.34865	0.2
257.08197	4.1
275.09204	5.1
284.03174	0.3
285.03976	0.8
307.08340	0.5
308.08920	2.3
351.07230	3.1
352.07962	4.2
447.07874	0.4
449.14536	60.4
450.14691	2.0
869.92242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.7
67.41124	0.3
70.29886	0.3
78.09343	0.3
85.02968	1.6
91.01926	0.3
93.03471	0.7
107.00771	0.5
107.01359	2.6
109.02946	1.5
110.96307	0.3
121.02958	1.4
124.52989	0.3
133.02975	0.6
135.00916	0.4
135.04515	0.4
148.01689	0.5
150.99178	0.6
151.00351	8.5
153.01936	0.5
159.04608	0.5
163.00357	2.6
164.01106	0.4
169.01387	0.5
175.03964	0.4
178.99860	4.1
183.04500	0.4
187.03996	0.3
187.07605	0.6
191.05597	16.4
199.04074	0.6
211.04007	0.7
216.04169	0.5
226.02715	1.6
227.03546	2.5
231.78377	0.3
243.02965	8.5
245.04393	0.4
250.17415	0.4
254.02219	1.7
255.02982	24.3
255.06898	0.7
256.03650	0.8
257.08255	0.4
271.02466	45.2
272.03018	1.9
273.03992	1.6
283.02505	1.6
284.03253	8.4
285.04004	15.5
286.04309	1.2
299.02115	1.2
300.02750	100.0
301.03491	28.0
302.03903	0.4
327.04810	0.9
381.01740	0.5
403.15839	0.4
417.08032	0.7
447.09280	10.0
448.09344	0.5
449.14929	2.2
463.08749	1.8
479.25015	0.7
505.09875	74.8
506.09988	3.0
575.79962	0.4
783.45874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.8
67.01881	0.6
71.01372	2.1
75.00855	0.4
77.03952	0.6
83.01376	0.9
85.02943	6.6
87.00861	1.9
89.02443	0.8
92.10824	0.7
93.03429	7.3
95.01422	1.3
97.02951	0.5
99.00867	1.6
99.71045	0.4
101.02443	0.5
103.00369	0.6
104.38898	0.4
107.01373	5.1
109.02922	2.8
111.04517	0.7
113.02435	7.0
117.01930	0.6
119.05029	0.4
121.02966	1.8
123.04563	0.5
125.02425	5.6
127.04028	0.6
133.02925	13.2
134.03563	0.4
135.03503	0.8
135.04503	16.7
136.04803	0.6
147.04546	0.9
149.02415	2.4
151.00351	27.0
151.01588	0.9
151.03975	0.5
152.00671	0.4
159.04555	0.4
161.02431	3.2
163.00348	2.3
163.04018	3.0
165.01817	2.8
173.04446	1.8
174.03265	0.5
175.02431	2.2
175.03955	4.1
177.01910	1.8
185.02287	0.6
187.07597	2.5
191.03616	2.1
191.05591	36.5
192.05798	0.6
193.01334	1.6
197.06160	0.7
199.03958	2.9
201.01880	1.6
203.03514	0.6
211.03961	0.6
211.07549	0.5
213.05508	1.6
215.03535	0.6
215.07164	0.5
217.05049	0.6
225.05504	0.8
227.03462	0.8
227.07126	0.5
229.08826	0.6
231.10289	0.5
240.04210	0.4
241.05150	0.6
243.02814	0.5
253.05159	0.8
254.05815	0.5
255.02911	1.7
255.06566	1.5
256.03754	0.5
257.04367	0.6
257.08182	2.2
267.06714	0.4
269.04391	0.8
271.06165	0.5
275.09244	0.9
284.03235	9.9
285.04031	39.8
286.04282	5.0
287.05545	8.3
297.04044	21.1
297.06595	0.4
298.04797	10.9
299.05585	20.8
309.03848	0.7
311.05518	4.5
325.03354	0.8
327.05078	100.0
328.05481	4.2
329.05722	0.9
339.05017	3.5
341.06534	1.9
357.06146	26.5
358.06699	0.6
369.06134	3.6
393.05963	0.7
447.09323	62.0
448.09787	3.2
449.09375	0.8
449.14655	8.6
461.07260	10.6
462.07611	1.5
463.08780	17.1
465.09610	0.5
525.40198	0.5
526.77838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72533	3.2
71.01383	22.7
80.48632	3.2
85.02946	4.4
87.00860	3.9
89.02451	24.9
101.02441	19.4
113.02466	7.7
116.92839	36.6
125.02498	6.4
169.12363	7.4
179.33849	4.0
197.11835	98.9
255.23300	100.0
379.12537	8.0
397.13483	53.1
415.14508	6.6
539.40790	5.0
577.25391	6.2
653.37848	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	895.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87309	0.2
67.01920	0.3
69.03431	0.2
71.01404	1.1
85.02941	0.3
87.00858	0.4
93.03447	4.2
95.05033	0.3
101.02435	0.3
109.02937	1.2
109.03624	0.2
111.04558	0.4
113.02432	0.5
121.02958	0.3
123.04504	3.3
125.02383	0.3
133.02940	0.4
134.03737	0.3
135.04532	1.5
151.04056	0.9
167.04901	0.3
173.04514	1.4
179.03488	0.4
191.05598	4.3
192.05878	0.3
195.04588	0.4
199.04007	0.3
209.11688	0.3
211.03969	0.8
223.03966	1.3
239.03465	2.7
240.04370	0.3
251.03362	1.6
257.04843	0.3
266.02222	0.3
267.02921	8.4
268.03720	4.0
281.04520	0.3
282.01718	3.6
283.02411	2.1
285.03949	1.0
293.00974	1.3
294.05182	0.4
295.02451	60.9
296.03198	13.5
297.03897	1.7
300.55707	0.3
309.03937	0.9
321.04059	0.2
323.01920	6.3
325.03473	1.7
328.02063	1.4
337.03564	1.0
338.04395	0.8
339.05151	0.3
403.08112	0.8
417.24762	0.5
429.06381	0.5
447.07199	100.0
448.07465	3.7
449.08432	0.3
449.14484	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	893.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	7.0
72.25725	0.8
73.02942	1.2
73.36837	0.7
81.03433	0.9
83.01422	1.4
85.02939	8.4
87.00883	2.0
89.02439	3.9
92.64500	0.9
93.03471	7.3
93.03973	0.8
95.01378	0.9
96.68755	0.9
101.02435	5.5
107.01360	3.0
108.02164	31.1
109.02944	49.3
113.02437	6.5
117.03416	1.2
119.05015	5.1
121.02965	1.4
123.00878	1.6
125.02434	3.1
132.02151	1.9
133.02917	6.2
134.03737	9.5
135.00775	0.9
135.04482	7.5
137.02405	3.6
147.04590	1.0
149.02251	0.9
151.00343	14.4
151.03978	1.2
151.99854	0.9
152.01135	52.2
153.01921	52.8
160.01639	19.8
161.02399	13.8
161.04549	1.2
161.13200	1.2
164.03687	0.9
165.01874	1.9
173.04523	1.1
173.56009	0.9
175.03967	23.6
177.01898	3.5
179.03458	4.0
191.05589	28.7
192.05913	1.0
193.05022	5.5
225.91063	0.8
243.06621	1.4
255.02960	1.1
269.04355	0.9
271.02530	1.4
271.06122	15.8
283.06015	1.0
285.04044	21.2
286.04361	1.4
300.02756	6.6
301.03482	9.1
311.05649	1.8
315.07260	23.6
323.07867	1.2
337.09412	1.1
353.08850	1.3
373.22147	4.1
401.08508	2.0
415.22925	6.5
441.50711	1.0
445.07715	2.0
461.07455	6.8
463.09192	1.6
473.84979	0.9
491.11966	100.0
492.12210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	7.0
72.25725	0.8
73.02942	1.2
73.36837	0.7
81.03433	0.9
83.01422	1.4
85.02939	8.4
87.00883	2.0
89.02439	3.9
92.64500	0.9
93.03471	7.3
93.03973	0.8
95.01378	0.9
96.68755	0.9
101.02435	5.5
107.01360	3.0
108.02164	31.1
109.02944	49.3
113.02437	6.5
117.03416	1.2
119.05015	5.1
121.02965	1.4
123.00878	1.6
125.02434	3.1
132.02151	1.9
133.02917	6.2
134.03737	9.5
135.00775	0.9
135.04482	7.5
137.02405	3.6
147.04590	1.0
149.02251	0.9
151.00343	14.4
151.03978	1.2
151.99854	0.9
152.01135	52.2
153.01921	52.8
160.01639	19.8
161.02399	13.8
161.04549	1.2
161.13200	1.2
164.03687	0.9
165.01874	1.9
173.04523	1.1
173.56009	0.9
175.03967	23.6
177.01898	3.5
179.03458	4.0
191.05589	28.7
192.05913	1.0
193.05022	5.5
225.91063	0.8
243.06621	1.4
255.02960	1.1
269.04355	0.9
271.02530	1.4
271.06122	15.8
283.06015	1.0
285.04044	21.2
286.04361	1.4
300.02756	6.6
301.03482	9.1
311.05649	1.8
315.07260	23.6
323.07867	1.2
337.09412	1.1
353.08850	1.3
373.22147	4.1
401.08508	2.0
415.22925	6.5
441.50711	1.0
445.07715	2.0
461.07455	6.8
463.09192	1.6
473.84979	0.9
491.11966	100.0
492.12210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56067	5.1
69.22619	5.8
74.71003	4.9
109.06580	13.2
117.03465	32.1
119.05037	22.7
145.02954	100.0
146.03357	7.6
163.03973	6.1
191.05611	11.6
207.10239	45.5
224.53827	6.2
225.11292	13.6
249.18605	22.6
379.12335	8.7
397.13522	24.7
415.14441	7.5
458.93842	6.1
607.45013	7.3
633.38007	70.2
634.38361	35.4
855.44189	51.3
891.41022	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	891.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	22.4
83.05038	4.1
85.02956	6.3
89.02422	20.9
101.02444	14.1
112.15470	2.6
113.02447	10.7
125.02402	4.8
153.19022	2.6
163.11340	3.1
179.14305	4.4
191.05643	16.6
195.13870	10.9
205.12367	4.8
209.11826	100.0
221.47537	2.7
223.13377	75.4
227.12918	14.6
297.65976	3.0
364.92352	2.8
379.12439	4.0
397.13489	29.0
415.14697	4.2
603.26575	5.9
607.25885	3.3
621.27496	9.9
727.57813	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	891.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	22.4
83.05038	4.1
85.02956	6.3
89.02422	20.9
101.02444	14.1
112.15470	2.6
113.02447	10.7
125.02402	4.8
153.19022	2.6
163.11340	3.1
179.14305	4.4
191.05643	16.6
195.13870	10.9
205.12367	4.8
209.11826	100.0
221.47537	2.7
223.13377	75.4
227.12918	14.6
297.65976	3.0
364.92352	2.8
379.12439	4.0
397.13489	29.0
415.14697	4.2
603.26575	5.9
607.25885	3.3
621.27496	9.9
727.57813	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	891.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	2.1
91.60318	0.3
99.92567	8.2
104.72660	0.4
116.92839	100.0
117.01917	2.7
117.92879	0.5
179.16631	0.4
200.16521	0.4
254.05219	0.5
399.38760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5081
Annotation	Kulokainalide-1
Peak:m/z	Relative Intensity
69.54145	57.3
80.45840	57.5
86.45523	63.4
141.32469	58.7
147.73605	54.4
177.27972	53.5
210.56287	54.2
277.21820	75.3
283.40836	60.6
293.21283	79.8
447.92804	57.4
697.05237	61.6
889.50012	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	891.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74828	0.1
69.03470	0.1
71.01384	0.4
74.83810	0.1
77.31032	0.1
80.32368	0.1
81.03445	0.1
83.05028	0.2
85.02944	5.2
87.00868	1.2
93.03442	2.0
99.04525	0.1
109.02927	0.6
111.04515	0.8
113.02431	0.1
127.03991	1.4
133.02911	1.0
135.03619	0.1
135.04460	0.5
137.02402	0.1
138.07011	0.1
146.10968	0.1
155.03435	0.1
161.02417	2.7
171.03058	0.5
173.04544	1.2
177.01912	0.1
179.03484	0.5
191.05603	100.0
192.05948	1.2
216.75035	0.1
229.01468	0.1
351.06989	0.1
353.08765	15.9
354.09225	0.1
589.63434	0.1
698.99146	0.1
751.79089	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	889.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69231	4.6
64.81673	4.1
66.08462	4.6
71.01373	27.9
78.55402	4.7
83.05023	4.8
85.02958	5.7
89.02422	19.6
92.10799	10.3
93.03461	5.5
97.02932	7.5
99.00827	5.0
101.02422	20.1
109.06585	24.3
109.91960	4.6
110.51960	5.9
121.06561	5.1
161.02411	5.5
163.11227	20.4
181.12315	7.7
191.05539	24.3
195.13805	6.9
207.10249	100.0
223.13370	38.7
225.11305	53.9
397.13327	17.7
413.23645	7.0
501.32806	7.1
545.28223	5.9
623.25739	10.2
659.15796	5.5
811.37341	43.9
829.38647	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26629	1.8
71.01370	15.8
73.02958	3.7
75.78017	2.0
78.95903	2.8
85.02924	3.1
89.02427	18.7
97.57152	1.9
101.02436	12.7
113.02447	8.7
116.92848	13.2
119.03534	2.4
119.82536	2.5
125.02406	3.3
127.11250	3.1
147.14697	2.0
148.48795	2.0
171.10248	100.0
206.96118	2.2
271.28909	2.3
277.21722	71.7
278.22064	2.5
369.09256	2.7
379.12473	12.2
397.13464	38.3
415.14627	4.1
551.23419	3.3
815.52130	3.5
889.49414	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	889.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33115	0.1
67.01882	3.8
69.03442	1.4
71.01379	2.0
81.03458	1.0
83.05032	0.9
85.02941	5.7
85.03412	0.3
87.00864	6.9
87.74123	0.2
92.10905	0.3
93.03439	28.4
94.03786	0.4
99.00861	0.8
99.04493	0.4
101.02438	0.3
109.02940	1.3
111.04514	5.0
113.02464	0.3
115.04066	0.2
117.03450	1.1
119.05014	0.9
121.02955	0.3
127.04012	1.7
129.01924	1.0
133.02950	0.2
134.03717	9.8
135.04538	1.8
137.02423	0.7
143.03523	0.2
143.05020	0.3
147.50299	0.1
149.06055	1.0
155.03494	1.0
160.01703	0.6
161.02394	0.7
163.04005	0.2
171.02948	0.7
173.04517	10.0
174.04927	0.3
175.03967	0.8
178.02716	0.4
179.03477	0.9
191.05605	100.0
192.05975	3.1
193.04930	4.9
212.03134	0.2
243.06506	0.2
249.05969	0.1
265.08569	0.3
271.09683	0.3
293.04459	0.2
321.03891	0.2
327.08731	2.0
328.09229	0.2
329.09360	0.2
335.07901	0.2
367.10352	25.2
368.10678	1.3
369.11307	0.2
371.09790	0.3
501.14026	1.0
502.14606	0.8
503.14944	0.2
529.68707	0.2
654.57233	0.2
764.03815	0.2
889.23364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71662	0.3
65.54482	0.4
67.01885	1.5
67.56500	0.3
68.99813	1.4
69.03446	1.5
71.01370	12.1
71.01744	0.6
72.99306	3.8
73.02943	0.8
75.00854	12.5
75.18592	0.3
76.47102	0.3
81.03439	0.6
83.01390	0.9
83.04974	0.5
85.02937	16.4
85.17440	0.3
86.03268	0.3
87.00848	5.7
89.02431	4.3
89.91872	0.3
91.04031	0.3
93.03438	6.5
93.95394	0.4
94.03768	0.7
95.01360	4.1
96.95988	0.4
97.02958	0.4
97.31208	0.3
99.00853	8.1
101.02423	0.5
103.00364	1.3
109.02936	1.4
111.00833	0.4
111.04495	0.6
113.02437	16.9
115.00371	1.7
117.01906	2.8
119.05046	0.5
121.02931	80.0
129.01904	1.9
133.02936	0.6
135.04504	2.7
157.01393	0.5
161.02428	0.7
163.03879	0.4
173.04506	2.2
175.02434	1.7
189.04042	1.4
191.05597	29.5
192.05910	3.0
193.06003	0.6
231.05098	4.5
238.06128	0.3
249.06129	43.3
250.06593	0.5
267.06750	0.4
305.04422	0.4
325.07089	0.7
327.08762	1.9
328.09012	0.4
353.08582	0.7
363.16602	0.6
371.09811	100.0
372.10254	1.8
501.14063	1.7
502.14249	0.7
503.14169	0.5
515.26135	0.4
517.13501	2.2
889.22742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98830	2.0
69.03441	1.7
70.90470	0.4
71.01369	18.9
71.01743	0.8
72.99303	1.7
73.02941	2.7
74.62198	0.4
78.95917	0.5
81.03436	0.5
83.01377	3.4
83.05006	0.5
85.02937	5.3
87.00852	3.8
89.02426	19.1
95.01357	0.9
97.02943	2.5
99.00286	0.5
99.00882	1.0
101.02426	16.7
107.38403	0.4
109.02947	0.7
111.04508	0.5
111.08150	0.7
113.02438	7.7
119.03500	5.1
125.02457	3.9
131.03502	0.5
143.03452	0.9
149.04575	0.5
153.05527	0.5
161.04529	3.0
163.11249	0.6
165.12828	9.7
179.05556	2.1
183.13884	64.6
190.29196	0.5
191.05542	0.7
197.15373	0.7
209.11868	1.7
221.06670	2.9
222.07402	0.5
227.12851	3.9
233.22893	0.8
235.08192	2.4
277.21701	73.2
278.21976	0.9
287.07532	0.6
379.12521	0.5
397.13419	7.7
406.32367	0.5
415.14560	1.8
625.27655	0.7
719.70270	0.5
856.49677	0.5
867.46191	0.5
885.48553	100.0
886.48694	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	887.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55751	0.2
67.01879	2.0
69.03461	0.4
71.01378	2.3
73.02951	0.2
81.03455	0.8
83.05035	0.5
85.02949	11.3
87.00864	5.9
87.95325	0.2
93.03442	17.1
99.00862	0.3
99.04550	0.3
108.02165	3.2
109.02943	9.3
111.04520	2.8
113.02520	0.4
115.00354	2.5
120.68022	0.2
121.02971	1.1
123.04543	0.2
127.04000	3.1
129.01949	0.3
133.02931	0.4
135.04492	2.8
137.02464	0.4
138.69189	0.2
146.03749	0.2
146.92818	0.2
147.04538	1.0
148.05240	0.9
149.06053	2.1
155.03525	0.8
156.64789	0.2
159.04530	0.3
161.02422	0.5
161.06085	3.3
162.06831	0.3
163.04031	0.4
163.07661	0.3
171.02975	0.5
173.04529	9.5
175.03978	0.4
177.05626	0.2
179.03505	1.2
187.03993	1.1
187.07521	0.2
191.05602	100.0
191.41605	0.2
192.05966	1.7
213.05606	1.5
223.03952	0.2
225.05502	0.4
226.06335	0.4
233.06587	0.4
241.05070	4.9
242.03369	0.5
242.05829	11.7
243.06590	6.8
253.08649	0.3
257.04715	0.3
267.06387	0.3
269.08200	0.5
271.09738	16.1
282.05182	0.3
289.05627	1.4
295.06293	0.3
297.07626	4.1
299.05600	1.6
341.06757	0.4
359.07751	4.1
362.73358	0.2
402.96759	0.3
454.68509	0.2
489.14224	0.3
533.12982	57.4
534.13226	1.8
592.90411	0.2
754.14392	0.2
782.58350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00752	0.3
69.03449	0.8
71.00974	0.7
71.01368	17.7
72.99297	0.7
72.99718	0.3
73.02938	3.5
75.36648	0.3
80.02674	1.4
81.03439	2.5
82.71162	0.3
83.01366	3.1
83.05016	6.4
84.02123	1.0
85.02942	4.4
87.00851	3.7
89.02432	17.0
91.04034	0.4
95.01376	1.6
95.05003	0.6
97.02924	2.5
99.00857	0.6
101.02427	12.5
101.30258	0.4
102.55489	0.3
109.03003	0.4
111.04536	0.5
113.02441	6.9
116.34398	0.3
119.03474	4.5
125.02419	5.5
130.12733	0.3
131.03473	0.6
139.04042	0.6
143.03497	2.2
145.10135	0.4
148.48198	0.3
157.16177	0.3
161.04568	2.3
163.11269	5.2
165.12758	2.5
179.05615	3.0
181.12366	0.7
191.10699	1.3
209.11827	100.0
210.12122	1.8
217.07170	0.5
221.06595	1.4
227.12904	8.8
235.08241	5.3
253.09218	0.6
277.21704	57.0
278.22037	1.8
287.07816	0.6
305.08786	1.4
351.43961	0.3
361.84821	0.3
379.12436	5.5
397.13492	34.8
398.13614	0.5
415.14566	7.7
654.78552	0.4
675.36426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.5
71.00977	0.8
71.01370	21.1
72.99299	1.5
73.02938	3.8
74.48463	0.3
75.00845	0.3
81.03474	0.6
83.01376	3.5
85.02938	6.3
87.00864	3.9
89.02429	23.2
89.77197	0.3
95.01389	1.6
97.02932	2.9
97.06591	0.5
99.00870	0.8
101.02421	17.0
111.04523	0.5
111.08168	0.6
113.02432	9.3
119.03474	4.6
125.02432	4.2
131.03499	0.7
143.03499	2.0
161.04524	2.1
165.12825	9.1
179.05608	2.3
183.13881	100.0
184.14183	0.7
185.04616	0.4
209.11826	1.4
221.06651	3.5
227.12836	6.6
235.08145	2.9
262.08728	0.4
277.21707	40.5
278.21976	0.8
311.35196	0.4
332.42245	0.4
379.44876	0.4
397.13455	7.4
415.14560	1.8
581.28607	0.5
607.26306	0.7
625.27094	2.5
820.17017	0.4
885.48529	90.8
886.48792	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	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.0
70.60175	0.2
71.01382	14.0
71.05025	0.3
72.99297	0.4
73.02944	2.8
74.59388	0.2
80.02676	1.5
81.03456	2.4
83.01394	1.9
83.05028	5.0
84.01740	0.3
84.02180	1.7
85.02958	3.4
87.00874	2.9
89.02436	13.7
89.02959	0.5
95.01395	0.5
95.04999	0.5
97.02938	2.5
99.00868	0.4
101.02432	9.8
111.04519	0.3
113.02441	5.9
113.64555	0.3
119.03483	3.0
125.02427	4.5
125.06092	0.6
127.03880	0.3
131.03508	0.3
135.08195	1.0
143.03514	1.2
161.04546	2.6
163.11293	5.4
165.12851	3.0
165.43404	0.3
179.05602	2.9
181.12355	0.5
191.10828	1.1
209.11832	100.0
210.12236	1.4
217.07176	0.3
221.06631	1.5
227.12883	8.1
230.12892	0.3
235.08232	4.0
236.68474	0.3
251.12888	0.7
253.09326	0.5
259.08453	0.3
277.21704	38.1
278.22134	0.5
287.07709	1.2
288.75461	0.3
305.08832	1.4
323.09808	0.5
326.46542	0.3
351.73331	0.3
362.16946	0.3
379.12369	4.4
397.13504	25.9
415.14465	6.4
589.25269	0.4
607.25677	1.1
675.37000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	3.7
69.03439	1.0
70.13246	0.1
71.01363	2.1
73.02923	0.3
81.03444	1.0
83.05029	0.6
85.02937	5.8
87.00855	6.9
93.03434	27.9
94.03766	0.2
95.01376	0.2
96.10223	0.1
97.02901	0.1
99.00841	0.7
99.04514	0.5
101.02407	0.6
104.22031	0.1
109.02940	1.2
111.04500	4.7
113.02428	0.8
117.03421	1.1
119.05003	0.2
119.41275	0.1
125.02428	0.2
127.03987	1.6
129.01938	1.1
134.03711	9.9
135.04495	0.6
137.02402	0.3
143.03418	0.3
149.06023	0.9
155.03448	1.0
159.04436	0.3
160.01634	0.3
170.09705	0.1
173.04529	8.8
175.03934	0.7
178.02690	0.2
191.05606	100.0
192.05910	0.9
193.03339	0.3
193.05022	5.9
239.07251	0.3
255.10222	0.3
265.04929	0.2
266.05759	0.2
266.72421	0.1
269.10193	0.1
270.63568	0.1
281.08124	0.3
294.37018	0.2
295.06067	0.2
325.07242	0.5
367.10327	33.9
368.10678	0.3
413.14722	0.3
431.15616	0.6
455.62543	0.2
473.16577	0.6
500.31436	0.1
517.13483	1.7
703.23407	0.1
885.22339	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74014	0.4
64.18378	0.5
67.01886	12.8
69.03441	4.5
70.37503	0.4
71.01370	23.0
73.02939	5.1
75.44762	0.4
81.03423	2.2
83.01361	2.1
83.05008	2.0
85.02939	10.9
87.00351	0.9
87.00863	19.4
89.02424	2.5
92.10152	0.6
93.03441	100.0
95.01382	1.2
97.02959	0.5
99.00854	4.8
99.04486	1.8
101.02433	12.9
109.02929	1.0
111.04514	15.7
113.02451	9.3
115.04000	0.6
119.03449	0.5
121.02943	9.3
123.04498	0.6
129.01917	3.3
133.02994	0.8
134.03716	9.2
135.04504	6.5
137.02406	2.5
138.12668	0.5
139.04001	98.8
143.03496	1.1
151.04024	0.7
155.03499	3.1
159.02971	2.0
161.04553	6.7
173.04527	34.9
177.02002	1.1
178.02739	5.4
179.03525	2.9
191.05589	7.4
213.44876	0.6
275.09271	0.8
293.10446	1.0
304.49722	0.5
314.63556	0.5
331.17621	13.8
351.07703	0.6
373.18729	8.9
404.48239	0.5
411.96054	0.6
441.54184	0.5
449.08301	1.1
449.14542	32.1
467.15118	49.9
468.15994	1.1
568.70892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	13.4
69.03455	3.6
71.01368	5.0
71.04999	0.3
73.02946	0.4
80.91801	0.2
81.03439	2.8
83.05025	2.3
85.02942	1.6
87.00861	22.1
92.10141	0.4
93.03440	100.0
94.03790	0.4
96.95992	1.0
97.02938	0.2
97.06618	0.3
99.00859	2.3
99.04507	2.0
101.02429	0.4
104.28487	0.2
109.02952	1.5
111.00864	0.3
111.04507	17.2
113.02437	2.0
114.37111	0.2
115.04015	1.0
121.02908	0.3
125.02415	0.3
129.01938	3.2
133.02957	1.9
134.03720	11.3
135.04509	7.1
137.02467	2.2
139.04015	0.3
143.03470	1.1
150.03215	0.3
151.03981	0.3
151.93858	0.3
155.03490	3.6
161.02371	0.4
162.03140	0.3
165.01942	0.3
173.04526	40.2
174.04840	0.2
177.01891	1.5
178.02708	6.1
179.03502	3.2
191.05592	8.7
209.11836	0.4
231.10258	0.5
275.09213	1.4
293.10278	1.6
352.07718	0.3
363.40479	0.3
372.87817	0.2
431.22940	0.3
449.14560	29.7
450.15213	0.8
467.15594	60.7
468.16232	1.8
814.17419	0.3
889.28705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	13.4
69.03455	3.6
71.01368	5.0
71.04999	0.3
73.02946	0.4
80.91801	0.2
81.03439	2.8
83.05025	2.3
85.02942	1.6
87.00861	22.1
92.10141	0.4
93.03440	100.0
94.03790	0.4
96.95992	1.0
97.02938	0.2
97.06618	0.3
99.00859	2.3
99.04507	2.0
101.02429	0.4
104.28487	0.2
109.02952	1.5
111.00864	0.3
111.04507	17.2
113.02437	2.0
114.37111	0.2
115.04015	1.0
121.02908	0.3
125.02415	0.3
129.01938	3.2
133.02957	1.9
134.03720	11.3
135.04509	7.1
137.02467	2.2
139.04015	0.3
143.03470	1.1
150.03215	0.3
151.03981	0.3
151.93858	0.3
155.03490	3.6
161.02371	0.4
162.03140	0.3
165.01942	0.3
173.04526	40.2
174.04840	0.2
177.01891	1.5
178.02708	6.1
179.03502	3.2
191.05592	8.7
209.11836	0.4
231.10258	0.5
275.09213	1.4
293.10278	1.6
352.07718	0.3
363.40479	0.3
372.87817	0.2
431.22940	0.3
449.14560	29.7
450.15213	0.8
467.15594	60.7
468.16232	1.8
814.17419	0.3
889.28705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24724	0.2
65.03984	0.3
67.01881	13.2
69.03439	4.3
71.01370	4.7
72.99282	0.3
73.02942	0.5
81.03445	2.4
82.17726	0.2
83.05013	2.2
85.02953	1.0
87.00861	20.2
93.03436	100.0
93.81073	0.2
94.03785	0.5
95.01338	0.3
96.95991	1.7
97.06559	0.3
98.95617	0.2
98.96238	0.2
99.00877	2.1
99.04525	1.5
101.02413	1.1
109.02942	1.2
111.04502	16.5
113.02435	2.5
115.03971	1.1
127.03952	0.2
129.01909	3.1
133.02885	1.5
134.03720	11.3
134.04741	0.4
135.04504	5.7
137.02388	2.5
139.03938	0.4
143.03482	1.2
150.03194	0.4
151.03955	0.3
155.03493	3.3
160.01622	0.2
161.02383	0.3
173.04532	39.9
175.10608	0.2
177.01904	2.4
178.02704	6.5
179.03494	3.2
191.03981	0.4
191.05606	5.6
231.10159	0.2
275.09244	1.5
293.10394	2.1
327.04953	0.3
341.06427	0.2
449.14536	26.7
450.14929	0.2
467.15570	62.9
468.15909	1.3
574.01306	0.2
885.23926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87366	0.5
67.01878	12.2
69.03452	3.0
71.01372	15.3
72.99305	0.5
73.02931	4.0
81.03441	3.4
83.01381	1.2
83.05022	1.1
85.02937	7.4
87.00861	20.3
89.02433	2.1
92.10875	0.6
93.03437	100.0
94.03734	0.5
95.01359	0.7
99.00864	3.0
99.04504	2.2
101.02436	8.1
109.02946	2.7
111.04501	14.6
113.02430	6.6
117.96506	0.5
118.58926	0.5
120.99618	0.7
121.02953	4.4
125.02437	1.1
129.01921	3.3
133.02927	0.9
134.03722	10.6
135.04500	8.7
137.02412	3.1
139.03993	44.2
143.03481	0.8
151.00374	0.7
151.04002	1.2
153.01901	0.6
155.03445	3.1
161.02449	0.7
161.04486	4.5
162.03160	2.0
173.04521	39.6
174.04811	0.6
177.01875	3.1
178.02722	6.6
179.03471	3.2
189.01956	0.6
191.05612	12.3
200.73552	0.5
293.10101	1.1
325.66653	0.7
327.05222	1.0
331.17679	5.9
339.05368	0.6
373.18524	4.8
449.14517	31.7
450.14847	0.7
467.15387	61.1
468.16095	0.7
487.66098	0.6
725.63092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	4.2
68.66066	0.4
69.03448	0.9
71.01379	2.5
74.09467	0.5
81.03466	2.0
85.02941	8.4
85.03401	0.4
87.00866	9.0
93.03438	33.6
99.00866	0.9
101.02458	0.5
108.02164	0.8
109.02948	7.6
111.04504	6.2
127.03985	2.0
129.01895	0.9
133.02904	6.8
134.03711	3.6
135.04492	2.6
136.01642	5.5
137.02414	10.9
145.02957	0.6
147.04459	0.6
149.02480	0.6
151.00380	0.9
151.03987	3.0
154.02621	1.7
155.03490	0.9
159.04503	0.8
160.01649	0.6
161.02435	2.0
163.00349	2.3
163.03967	1.9
165.01912	0.9
171.03024	1.0
173.02399	0.5
173.04536	18.7
173.06036	0.8
175.03952	3.5
177.01877	1.0
179.03566	0.6
187.04031	0.5
189.03915	1.1
191.05603	100.0
192.05907	1.0
199.03926	0.7
201.01935	1.0
203.03479	0.7
205.01437	0.8
209.70802	0.5
211.07663	0.6
227.03555	1.1
229.01399	2.8
231.10292	1.2
233.06593	2.0
253.05162	1.8
255.03000	1.9
257.08197	2.7
267.06558	0.9
269.04526	2.1
271.02481	0.9
275.09149	0.6
277.05011	1.0
284.03317	6.1
285.03992	11.9
293.10397	0.8
295.06107	1.1
297.04047	20.6
298.04834	14.2
299.05539	8.2
300.02802	2.2
311.05566	3.4
324.02887	0.9
325.03726	0.8
327.05099	30.8
339.05075	8.1
357.06186	36.4
370.09113	2.0
381.06290	1.0
399.07233	5.0
417.08270	48.9
449.14294	4.5
467.15582	58.3
468.15729	1.7
487.12854	0.7
505.10272	2.0
531.11591	2.4
701.32898	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	885.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.4
67.01895	1.9
69.03449	0.6
71.01382	2.2
73.02940	0.6
77.03984	0.4
79.01896	0.4
81.03455	0.7
83.01363	0.4
83.05047	0.5
85.02940	7.7
87.00858	5.0
89.02405	0.4
92.10828	0.6
93.03438	16.3
93.04031	0.5
95.01377	0.4
97.02959	0.4
101.02453	0.6
105.03428	0.3
107.01364	0.7
108.02189	2.4
109.02950	7.4
111.04520	2.8
113.02437	0.5
119.05011	0.8
121.02943	1.6
123.00880	0.6
123.04508	1.9
125.02402	1.7
127.03991	0.9
129.01894	1.7
133.02930	14.1
133.13896	0.4
134.03741	3.6
135.04510	3.4
136.01631	4.2
137.02422	37.6
139.04021	0.6
143.03484	0.5
145.02966	0.5
147.04527	2.5
149.02434	1.8
151.00327	0.6
151.04016	3.5
152.01195	0.4
153.01913	1.5
154.02702	4.1
155.03450	0.5
157.08719	0.4
160.01624	0.3
161.02414	2.5
163.00342	2.8
163.03963	3.7
165.01889	2.4
167.03491	0.7
171.02948	4.5
173.02408	0.4
173.03021	0.4
173.04517	8.9
175.00371	0.5
175.03915	4.4
177.01892	6.6
178.02690	2.0
179.03510	0.6
187.03981	0.4
189.01917	6.6
189.03999	2.1
190.02748	1.7
191.03590	3.4
191.05595	49.4
193.01401	2.1
197.06084	0.5
199.03972	2.1
201.01924	2.4
203.03497	1.8
211.04024	0.7
211.07774	0.5
213.05499	1.7
215.05585	0.6
216.00679	0.5
217.01453	4.5
219.03058	2.5
225.05545	0.8
227.07005	0.5
229.05017	0.4
231.02924	1.7
231.04950	0.5
232.05948	1.5
233.06682	1.8
240.04216	0.7
241.04912	0.7
243.02734	0.5
253.04988	1.7
255.02982	2.7
255.06567	1.4
256.03790	0.5
257.08115	1.6
264.04709	0.7
269.04623	1.7
284.03238	12.5
285.04028	10.7
297.04019	23.4
298.04776	12.4
299.05576	23.6
309.04150	1.3
311.05582	4.9
319.14029	0.6
324.02881	0.6
325.03467	1.3
327.05087	100.0
328.05466	1.8
339.05023	5.8
341.06635	11.2
342.06961	0.6
355.04095	0.4
357.06143	27.4
363.05112	0.6
369.06049	1.7
370.08981	4.9
381.06201	2.7
417.08255	88.4
418.08484	2.4
449.14395	1.5
451.10312	7.4
467.15625	54.4
467.22528	4.1
468.15918	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04997	0.3
67.01873	1.5
69.03420	0.6
71.01371	1.8
77.03957	0.5
79.01894	0.4
81.03448	1.3
83.05016	0.4
85.02939	3.4
85.06841	0.3
87.00862	4.0
92.60292	0.3
93.03432	17.5
96.95995	0.8
97.02911	0.3
107.01397	0.5
108.02094	0.4
109.02948	4.8
111.04527	2.8
113.02426	0.4
119.05012	1.3
121.02938	0.8
123.04486	0.4
125.02409	1.5
127.03944	0.7
129.01976	0.6
133.02919	12.7
134.03682	2.1
135.04474	2.5
136.01630	2.2
137.02403	6.6
141.54187	0.3
147.04471	1.5
149.02415	1.4
151.00351	0.4
151.03996	2.0
154.02693	0.8
155.03505	0.7
161.02406	2.6
163.00333	2.1
163.03992	3.4
165.01851	2.3
171.02913	0.7
173.04497	9.3
175.03943	3.8
177.01904	1.5
179.03468	0.7
189.03749	0.4
191.03569	3.0
191.05582	42.5
192.06026	0.4
193.01337	1.8
196.00009	0.4
197.06044	0.4
199.03949	2.4
201.01909	1.6
203.03519	0.8
212.04744	0.6
213.05518	1.4
217.05043	0.7
225.05379	0.4
227.03455	0.5
229.01372	0.3
231.06557	0.4
240.04167	0.6
241.04982	0.8
244.54839	0.3
253.05025	1.8
255.03012	0.7
255.06627	0.8
256.03677	0.5
257.08130	2.2
265.05045	0.3
269.04514	0.6
281.04532	0.5
284.03229	9.8
285.04031	8.5
297.04028	19.1
298.04776	10.5
299.05585	23.9
300.06006	0.4
309.04315	0.5
311.05670	2.9
324.02695	1.6
325.03525	0.6
327.05084	100.0
328.05508	1.8
339.05112	4.1
341.06631	0.4
357.06168	22.3
361.97723	0.4
363.04959	0.5
369.06110	0.7
381.06104	2.1
417.08261	89.2
418.08795	2.6
431.13608	0.7
449.14474	2.8
467.15570	32.7
468.16010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.1
71.01381	1.5
73.02843	0.9
78.35471	1.1
81.13318	0.9
85.02927	8.8
87.00876	1.4
93.03435	13.6
109.02928	6.3
111.04516	2.1
127.04000	4.2
133.02884	3.9
135.04471	5.4
147.04515	1.3
159.04596	1.3
161.02368	6.8
161.06096	1.1
163.03912	0.9
173.04485	6.2
179.03465	2.2
191.05606	100.0
192.05875	3.9
192.25980	1.0
241.05106	1.2
242.05862	6.7
243.06764	3.2
253.05037	1.1
255.06502	1.4
271.09723	8.1
277.05237	0.9
293.04459	1.2
295.06158	6.8
299.05670	1.9
323.07941	1.1
339.04874	4.1
359.07617	3.7
372.99918	1.1
515.13745	1.7
531.11292	2.3
533.12994	30.4
707.17914	1.6
708.18665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	31.6
85.02963	6.8
89.02420	32.2
97.02905	6.4
101.02426	27.5
109.06573	15.7
113.02442	7.3
125.02467	8.3
129.58084	3.0
136.18817	3.3
154.34911	3.3
161.04553	7.3
161.05806	3.9
163.11232	12.6
181.12311	4.5
191.05579	19.2
207.10274	53.0
225.11325	100.0
277.21680	72.2
299.44092	3.9
393.06638	3.8
397.13434	41.6
415.14642	15.7
546.95575	4.0
575.54089	5.4
605.24976	16.1
623.25525	7.0
883.47089	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	19.5
62.34480	1.1
63.89254	1.2
71.01369	3.2
80.00462	1.3
80.96500	2.5
83.01404	1.6
83.54363	1.5
85.02959	10.8
88.73076	1.6
89.02448	5.3
101.02442	5.9
113.02443	7.0
122.38644	1.3
127.00058	6.1
171.10248	17.8
183.13887	9.4
185.77687	1.4
193.12077	1.6
211.13342	16.2
229.14363	10.9
235.08238	16.4
253.09293	24.7
277.21698	100.0
291.19632	7.7
309.20676	9.1
327.21783	70.8
389.54977	1.7
545.29279	6.2
563.30658	5.9
600.89899	1.6
603.86047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	0.2
73.01900	0.1
75.51941	0.1
80.29475	0.1
83.01403	0.2
85.02964	0.4
87.00874	0.1
89.02481	0.1
90.73042	0.1
93.03468	0.4
96.01558	0.1
101.02416	0.1
105.03464	0.1
107.01364	0.9
109.02922	0.2
117.03402	0.3
121.02944	0.1
124.15253	0.1
125.02466	0.1
127.08162	0.1
127.47528	0.1
133.02917	4.8
133.03917	0.2
135.04495	0.4
135.80875	0.1
147.11679	0.1
149.02452	1.4
151.00354	3.9
161.02461	0.4
171.04367	0.1
173.02403	0.1
173.04572	0.1
175.03969	1.9
177.01884	0.5
179.03496	0.2
189.05595	0.1
191.03654	0.2
191.05597	2.2
197.06139	0.2
198.03302	0.1
199.04036	1.5
201.01968	0.5
213.05592	0.4
215.03568	0.1
217.05061	1.1
239.07303	0.1
241.05078	0.9
242.02171	0.1
243.02992	0.7
257.04489	0.2
267.03033	0.1
268.03702	0.1
269.04480	0.4
281.04593	0.5
282.05173	0.1
283.06107	3.5
284.03235	0.5
285.04034	100.0
286.04388	1.7
300.02756	0.2
301.03445	0.1
311.05621	5.2
323.05695	0.2
327.05124	0.2
341.06601	1.4
401.08734	5.8
402.09094	0.1
447.09320	25.2
448.09604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84022	1.6
69.80898	1.8
71.01367	15.1
72.58173	1.9
73.02952	2.7
80.02028	1.8
85.02937	3.2
85.30045	1.9
85.81971	1.7
89.02428	18.1
93.03459	2.2
95.05002	2.5
97.02907	3.1
100.53394	1.9
101.02431	13.1
109.06574	10.1
110.03680	2.8
113.02409	2.8
119.03443	2.4
122.65025	1.8
125.02452	2.5
128.41019	2.2
161.04570	2.3
163.11307	19.8
179.05591	2.4
179.10666	2.3
181.12408	4.0
189.09106	4.0
191.05632	10.6
207.10249	42.3
225.11313	100.0
277.21674	28.8
397.13492	18.1
415.14450	7.9
446.33554	2.2
455.38382	2.4
605.24390	10.0
618.32379	2.2
623.25525	17.0
883.46692	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	883.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98806	0.8
69.03440	0.7
71.01371	17.5
71.01741	0.8
71.75826	0.4
72.99302	0.9
73.02927	3.4
80.02646	0.5
81.03444	3.8
83.01400	2.4
83.05032	3.0
84.02181	0.4
85.02944	5.0
87.00864	5.2
89.02429	17.8
89.02957	0.7
95.01374	1.0
97.02930	10.2
99.00875	2.7
101.02424	14.9
103.39788	0.4
104.28040	0.4
106.04274	0.4
107.05022	0.8
109.03004	0.4
109.06583	29.8
110.03793	0.9
111.00905	0.5
111.04516	0.4
113.02439	7.9
114.36997	0.4
119.03474	5.3
121.06561	3.6
123.04444	0.5
123.08130	0.4
125.02422	4.8
131.03577	0.6
135.08125	4.2
136.05309	2.0
141.01883	0.6
142.02737	2.7
143.03494	2.3
145.10202	0.6
161.04506	3.2
161.09714	2.8
163.11275	19.6
179.05647	3.8
179.10815	0.7
181.12363	5.0
185.04489	0.5
189.09210	2.5
201.11360	0.8
207.10266	100.0
208.10597	1.6
209.11810	3.9
221.06744	3.1
225.11328	50.2
226.11551	0.5
235.08160	3.8
243.12384	2.4
253.09305	0.9
255.23192	1.0
277.21716	47.1
278.22015	1.8
281.14005	1.7
286.02783	0.4
287.07813	0.7
299.15002	2.0
305.08875	0.9
379.12534	4.0
397.13519	27.0
415.14569	9.2
441.33932	0.9
461.20505	0.8
587.23187	0.5
605.24487	7.4
623.25537	7.6
636.66949	0.4
865.45502	0.8
883.46960	47.9
884.47308	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	883.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.7
69.03452	0.9
70.71162	0.5
71.01381	24.2
72.99309	1.2
73.02949	4.5
80.02651	0.9
81.03458	3.7
82.05514	0.5
83.01389	3.0
83.05046	2.6
84.61803	0.6
85.02950	6.5
87.00873	5.1
89.02441	25.1
89.02962	1.1
92.10139	0.7
95.01408	0.9
96.04333	0.6
96.41900	0.7
97.02944	13.8
99.00868	4.7
101.02425	19.2
101.03025	0.8
109.05826	0.9
109.06583	27.4
109.07291	1.2
110.03757	1.2
111.04500	1.4
113.02444	10.0
119.03473	5.0
121.06560	1.4
124.01621	0.7
125.02438	6.3
135.08179	4.6
136.05298	2.8
139.04056	0.7
141.01869	0.6
142.02701	2.9
143.03481	1.4
149.96555	0.7
161.04543	4.5
161.09711	2.6
163.11278	20.7
175.91635	0.6
179.05600	3.1
179.10719	2.1
179.24350	0.8
181.12360	4.4
187.23688	0.7
189.09174	1.0
207.10257	100.0
208.10536	0.9
209.11845	2.4
221.06642	2.4
225.11327	38.0
225.13580	1.3
235.08157	4.8
243.12323	0.8
253.09372	1.4
277.21701	69.5
278.21863	0.9
299.14990	1.2
323.09555	0.7
379.12521	4.1
397.13507	37.8
415.14590	9.4
605.24731	3.5
623.25922	3.6
883.46997	47.5
884.47388	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	879.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.9
63.46783	2.7
71.01363	25.0
73.02966	4.3
83.05064	3.3
85.02950	5.6
87.00884	3.7
89.02423	22.7
97.02910	2.9
101.02431	16.8
101.15458	2.8
103.39774	2.8
113.02436	12.0
119.03430	5.7
132.25122	2.8
142.07851	2.7
163.11253	3.4
171.10237	79.5
174.77692	2.8
175.19896	2.9
189.05301	3.3
207.10222	6.3
225.11284	28.2
241.43661	3.1
255.23300	100.0
379.12451	13.9
397.13528	42.5
415.14417	5.5
653.37683	5.4
861.48969	4.9
868.38525	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	883.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.1
67.01902	0.1
69.03466	0.1
70.15977	0.1
71.01362	0.8
73.02932	0.3
74.21610	0.1
81.03446	0.1
85.02948	7.9
86.03285	0.1
87.00874	1.6
92.10163	0.4
93.03442	3.4
99.04531	0.4
107.01371	0.2
109.02941	1.1
111.04507	1.3
121.02937	0.2
125.02430	0.6
127.03976	2.3
135.04500	0.2
137.02415	0.2
151.00383	1.5
151.03952	0.1
159.04498	0.2
161.02377	0.2
162.84630	0.1
163.00356	0.5
171.02968	0.2
172.05252	1.5
173.04486	1.7
173.05908	0.1
177.01958	0.5
178.99858	0.7
181.78775	0.1
183.04480	0.5
187.04071	0.2
187.07623	12.1
188.07953	0.1
191.05600	100.0
192.05948	1.5
193.06181	0.1
199.03986	1.1
200.04755	0.6
201.05519	0.2
202.06392	0.2
204.04291	0.4
211.04068	0.2
211.07671	0.2
213.09181	1.5
215.07159	2.1
226.02773	0.2
227.03468	2.1
228.04276	1.4
229.08673	1.0
231.10204	0.7
243.03015	1.3
245.04501	0.2
254.02225	0.4
255.02936	3.2
257.08179	12.3
258.08484	0.2
271.02472	6.4
272.02875	0.1
275.09164	0.8
282.28513	0.1
285.03885	0.2
300.02722	11.7
301.03470	4.9
400.48099	0.1
419.97275	0.1
433.07733	8.0
449.14487	7.8
450.14236	0.1
505.10330	0.2
506.10080	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.162
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06645	0.1
63.02393	0.2
65.00309	0.3
69.03469	0.2
71.01368	1.9
72.99301	0.2
75.00872	0.8
83.01418	0.3
85.02933	2.8
87.00871	1.0
89.02428	0.4
95.01373	0.4
99.00876	0.9
105.03435	0.2
106.32801	0.2
107.01375	1.4
109.02960	1.0
110.33971	0.2
111.44901	0.2
113.02425	2.0
115.00301	0.2
117.01920	0.2
121.02943	0.4
126.82848	0.2
129.01907	0.3
133.02927	7.1
135.04471	0.3
147.04510	0.3
149.02402	1.8
151.00352	3.7
151.03961	0.2
161.02365	0.3
163.00389	0.2
163.03989	0.4
165.01903	0.3
167.03505	0.2
175.02641	0.3
175.03957	2.4
177.01910	0.4
185.06094	0.3
191.03586	0.2
191.05569	1.0
192.48459	0.2
193.01361	0.3
198.03250	0.3
199.03954	2.3
201.01942	1.0
204.22530	0.2
210.73615	0.2
213.05643	0.7
215.03465	0.3
217.05023	1.1
239.03581	0.2
240.04305	0.3
241.05064	1.0
243.02870	0.4
257.04553	0.4
284.03265	2.9
285.04025	100.0
286.04410	2.1
297.04044	3.2
298.04736	2.0
299.02209	0.2
299.05563	4.3
311.05457	0.4
327.05084	16.9
339.05121	0.9
341.06372	0.2
355.04562	0.2
357.06152	4.4
369.05975	0.3
381.05954	0.3
417.08279	10.1
418.08731	0.3
461.07242	39.5
462.07471	1.0
581.34595	0.2
772.37921	0.2
887.85999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19901	1.2
66.14207	1.2
71.01372	100.0
72.99303	3.3
73.02936	64.8
75.00894	1.5
79.10468	1.4
83.01376	22.0
85.02938	45.7
87.00878	5.4
89.02428	24.7
95.01389	8.2
97.03004	2.8
99.00865	12.8
101.02423	95.6
113.02438	51.1
119.03482	7.9
125.02413	2.6
131.03496	2.9
143.03528	5.0
149.04492	5.9
152.01129	2.2
159.02971	9.8
161.02428	1.5
161.04541	50.4
169.12308	1.5
179.05649	1.5
191.05553	13.1
221.06584	1.6
248.95509	1.7
285.03976	7.9
298.04947	1.9
327.05200	6.5
331.17618	67.4
332.18137	2.1
337.09232	1.5
373.18622	77.9
373.22467	6.4
375.20490	1.6
415.23297	31.6
417.08173	2.2
460.37393	1.9
464.57172	1.8
622.08997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.2
69.03458	5.1
71.01385	13.4
71.05027	1.2
76.51118	1.0
83.01432	1.4
85.02957	2.4
87.00861	1.7
89.02438	14.5
92.10887	1.7
97.02949	1.8
99.00915	1.0
101.02435	13.0
109.02995	1.0
113.02445	5.3
116.92840	1.5
119.03496	4.6
119.94680	2.0
123.08160	1.0
125.02448	4.0
125.09670	1.7
141.39578	1.1
151.11250	1.7
161.04517	1.1
161.09717	5.2
179.10753	7.8
197.11821	53.6
213.94055	1.1
221.06598	1.3
241.10768	4.3
255.23277	78.2
282.66013	1.1
349.72971	1.2
518.60468	1.2
877.47943	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	877.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77745	1.6
69.03439	3.0
71.00984	3.1
71.01372	93.6
72.99311	3.9
73.02937	35.7
75.00863	2.3
77.05281	1.4
81.03439	1.9
83.01369	22.1
85.02943	56.4
85.03423	3.2
85.77593	1.4
87.00862	4.1
89.02431	33.5
93.03445	8.7
95.01369	10.1
97.01624	1.6
97.02948	3.7
99.00872	15.1
101.02421	80.2
105.38515	1.5
107.01344	1.6
109.02910	14.4
113.02436	37.6
115.04007	2.5
119.03487	3.1
120.18401	1.8
125.02430	14.8
129.01939	1.9
133.02959	3.0
135.04501	11.2
137.02400	3.7
143.03473	2.8
148.01077	1.7
148.05287	7.3
149.02516	1.9
151.00331	9.0
153.01941	16.3
159.02927	4.1
161.02437	2.9
161.04565	25.6
163.07626	2.6
173.04558	1.7
175.03778	1.8
177.01906	3.6
179.03586	1.6
179.05537	2.3
191.05620	36.3
216.96080	2.0
223.13373	4.1
224.13693	1.9
233.06566	6.7
273.04630	1.6
285.04044	68.1
286.04404	3.4
293.08807	20.6
297.03931	2.5
298.04700	1.9
315.18127	44.0
327.04953	7.2
327.75348	1.7
331.17542	7.1
332.17987	2.7
333.19235	38.7
373.18378	6.7
374.18936	3.3
375.20184	100.0
403.19376	2.1
429.08307	2.6
447.03467	2.0
447.09320	11.5
461.07095	8.3
467.15454	3.0
473.73456	2.0
599.90887	1.8
657.93390	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	875.493
Annotation	Unknow
Peak:m/z	Relative Intensity
92.63407	15.5
191.05606	69.8
253.09114	21.1
293.21252	100.0
327.21780	67.5
497.66730	15.4
745.65283	15.0
875.49017	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05030	0.9
102.73607	0.7
183.70131	0.9
184.44676	0.9
194.97249	0.7
199.88382	0.7
228.71800	0.8
374.24481	1.5
379.30096	3.2
389.28265	0.9
391.30142	1.9
409.30920	4.0
483.31195	16.4
501.32208	100.0
502.32672	4.2
537.03491	0.8
609.97882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	69.0
72.73942	0.8
72.99310	2.3
73.02931	23.9
83.01376	11.4
85.02940	42.2
86.58719	1.0
87.00891	4.2
89.02435	15.6
93.03441	5.0
95.01382	6.6
96.96007	1.1
97.02950	1.8
99.00880	8.6
101.02422	59.3
113.02433	33.7
113.03182	1.6
119.03500	5.4
120.10450	1.1
125.02467	2.3
137.09686	1.5
143.03487	2.2
159.03018	6.1
161.02446	1.1
161.04539	21.4
164.16872	1.0
165.02095	1.2
181.03348	1.1
191.05576	12.3
209.15466	10.2
331.17734	9.0
353.01898	1.1
353.19598	26.9
371.20758	41.0
373.18646	6.2
413.21796	100.0
520.38928	1.1
668.13861	1.1
716.65613	1.2
891.72076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20092	0.9
68.36623	1.0
69.03448	2.6
71.01371	100.0
71.05031	1.7
72.99291	1.1
73.02930	32.7
73.03320	1.8
74.71986	1.1
75.00896	1.2
81.03467	1.2
83.01379	15.5
84.72573	1.0
85.02940	52.0
86.94790	0.9
87.00871	4.7
89.02431	40.0
93.03451	5.1
95.01390	7.0
97.02948	4.3
99.00859	15.5
99.04498	2.2
101.02424	76.8
101.85425	1.0
107.01349	1.0
108.98771	0.9
109.02946	2.1
111.00860	1.3
111.84586	1.0
113.02435	40.6
115.04002	2.0
119.03487	7.1
125.02442	13.5
131.03404	1.5
133.02885	1.2
135.04509	20.5
137.02403	2.3
138.27872	1.1
143.03487	5.8
148.05292	5.9
149.04578	1.7
151.00372	8.7
159.02969	8.9
160.08130	1.0
161.02415	4.5
161.04526	40.4
163.07626	1.6
173.04550	2.1
177.02000	1.3
179.03471	5.0
179.05618	2.6
191.05606	29.5
192.06076	1.2
223.13464	11.7
233.06619	5.1
244.60596	1.1
285.04062	7.7
287.05634	2.1
293.08823	19.5
331.17645	72.9
373.18680	69.2
374.18890	1.3
403.19913	4.6
417.17532	4.8
449.10483	1.9
457.17398	1.9
474.45523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	1.0
64.75195	0.1
67.01877	3.5
69.03441	0.9
70.51203	0.1
71.01366	1.5
71.05008	0.1
73.02926	0.1
81.03432	0.9
83.05024	0.7
85.02937	4.7
87.00856	6.1
90.77898	0.1
93.03436	23.2
94.03772	0.1
97.02913	0.1
99.00858	0.5
99.04486	0.6
109.02930	0.6
111.00823	0.1
111.04507	4.7
113.02442	0.5
115.03959	0.1
117.03452	0.2
119.05004	8.6
125.02370	0.1
127.03995	1.4
129.01918	1.1
137.02408	0.5
143.03506	0.1
145.02943	1.5
145.04985	0.1
155.03493	1.0
163.03984	8.1
171.02980	0.2
171.96754	0.1
173.04521	11.6
177.73294	0.1
191.05598	100.0
192.05969	0.6
251.40915	0.1
337.09286	30.4
338.09702	0.5
732.01074	0.1
830.93408	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.3
73.02936	1.0
74.10516	0.2
74.84962	0.2
76.12783	0.2
76.56006	0.2
87.81699	0.2
93.39478	0.2
99.92570	8.7
107.63451	0.2
109.10755	0.2
109.30479	0.2
114.93380	1.0
116.02256	0.2
116.92841	100.0
116.97215	2.6
117.01916	1.1
117.92854	1.2
131.96605	0.2
182.59787	0.2
261.74670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
95.34970	12.1
156.07224	11.7
178.75990	11.0
199.09793	17.5
207.10205	18.6
209.11867	11.3
235.08110	14.2
277.21716	100.0
309.46420	12.5
331.41370	10.2
388.62045	12.0
402.52176	12.9
511.15805	11.5
721.42950	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	873.513
Annotation	Unknow
Peak:m/z	Relative Intensity
78.30161	24.5
81.90453	23.5
83.41211	26.2
102.54984	25.5
115.20478	30.1
116.92822	28.9
121.45963	23.9
156.63033	26.8
277.21899	100.0
335.82605	34.8
341.23129	35.0
873.51849	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27160	1.7
66.66949	1.9
71.01383	13.2
74.51926	1.7
87.00876	2.0
89.01541	1.8
89.02419	15.1
92.10802	7.4
97.06579	3.7
101.02451	10.2
113.02458	4.5
116.92859	12.7
119.03468	3.5
125.02439	2.6
138.67798	2.2
151.11224	14.1
155.11652	2.2
169.12315	54.6
213.11342	2.4
277.21725	44.0
293.94595	2.0
335.81851	2.3
350.20493	2.0
380.72916	2.4
397.13846	2.7
472.77621	2.3
593.24957	2.0
810.11523	2.7
871.46899	100.0
872.47302	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	0.2
71.01400	0.4
73.02935	0.1
78.45210	0.1
83.05019	0.1
85.02949	4.3
87.00864	1.0
92.10160	0.2
93.03446	1.9
95.61678	0.1
99.04510	0.1
109.02944	0.5
111.04517	0.6
127.03992	1.2
133.02933	0.7
134.03734	0.1
135.04504	2.3
161.02431	3.5
171.02985	0.6
173.04536	1.2
179.03488	1.8
191.05602	100.0
192.05945	1.2
255.10039	0.1
307.77002	0.1
353.08752	11.3
354.09167	0.2
517.15582	17.6
518.15912	0.4
571.14496	0.1
575.36212	0.1
656.74274	0.1
871.24048	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	871.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55724	1.4
71.01368	12.8
72.38015	1.1
72.49486	1.3
85.02952	5.5
89.02428	16.6
89.02782	1.0
97.02945	1.9
97.06593	2.2
101.02441	16.5
101.73445	1.3
113.02439	5.1
113.10726	1.2
116.92830	2.7
119.03470	2.3
133.00755	1.3
151.11305	10.7
161.04572	1.3
169.12338	90.1
191.05568	2.4
213.11331	15.1
221.06554	2.1
277.21680	22.4
611.24994	1.9
871.46899	100.0
872.47278	5.3
877.67993	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	871.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37875	0.2
67.01895	0.5
69.19702	0.2
84.99319	0.3
87.00860	1.0
88.82150	0.3
93.03448	4.8
94.03797	0.5
95.51984	0.2
106.22388	0.3
109.02931	1.4
111.04505	0.6
119.05028	0.4
121.02930	0.6
125.02453	0.5
133.02925	7.4
135.04495	1.3
137.02437	0.5
147.04468	0.9
148.01620	0.3
149.02415	1.1
151.03992	0.3
155.03468	0.3
160.01195	0.2
161.02380	0.6
163.00330	1.2
163.03946	2.0
165.01897	1.3
173.04468	2.0
173.05873	0.4
175.03896	2.0
189.05415	0.3
191.03488	2.0
191.05576	4.6
192.05989	0.3
193.01413	1.7
198.31934	0.3
199.03918	1.2
201.01915	1.0
203.03497	0.5
211.03990	0.3
213.05605	0.5
225.05573	0.5
227.03661	0.3
227.07011	0.4
229.01357	0.3
231.06624	0.4
241.05002	0.4
246.90938	0.3
255.02864	0.5
255.06757	0.5
269.04504	1.0
271.05975	0.5
277.10880	0.3
281.04504	0.5
284.03256	7.5
285.03992	6.8
297.04019	15.3
298.04752	8.8
299.05569	19.5
300.05975	0.4
309.03897	0.6
311.05609	3.3
324.02835	1.3
325.03421	0.6
325.07040	0.3
327.05078	100.0
328.05386	3.3
329.05676	0.3
339.05060	3.4
341.06750	0.4
357.06146	23.6
358.06631	1.0
363.05066	0.3
369.06061	1.1
381.06055	2.1
392.39633	0.3
417.08258	96.9
418.08572	3.9
451.15921	3.0
452.16449	4.4
453.05826	2.2
453.16541	2.4
457.10040	0.3
464.72919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	1.4
66.06761	0.2
66.80357	0.2
67.01880	4.9
69.03454	1.3
71.01368	2.6
73.02918	0.3
76.55524	0.3
77.03925	0.2
78.38904	0.2
81.03445	1.1
83.05025	0.4
84.56505	0.2
85.02937	9.8
87.00856	8.9
93.03438	32.9
94.03785	0.4
95.01385	0.4
96.24343	0.2
96.95950	0.3
99.00867	0.6
99.04526	0.4
101.02493	0.3
108.02145	1.9
109.02942	3.2
111.04516	5.8
113.02433	0.4
114.94547	0.2
115.04013	0.3
117.03409	2.4
119.05009	0.5
121.02934	1.0
123.04523	0.3
127.04030	2.4
129.01900	1.3
132.02165	0.4
133.02921	1.5
134.03722	13.3
135.04503	6.5
136.01648	5.0
137.02428	33.5
143.03499	0.3
149.02437	0.6
150.03210	0.4
151.00336	1.5
151.03990	2.4
153.01878	1.1
154.02733	3.2
155.03491	1.6
158.99380	0.2
159.04538	0.6
160.01656	6.6
161.02423	2.3
163.00320	0.3
163.03966	1.3
164.46114	0.3
171.02969	3.2
173.04526	18.8
177.01935	2.0
178.02704	2.3
179.03493	1.8
187.06123	0.4
187.07634	2.9
189.04039	2.6
191.05598	100.0
192.05911	1.4
193.01518	0.3
197.06042	0.3
203.03198	0.3
211.07613	0.4
213.09171	1.0
225.05710	0.3
231.04964	0.3
231.10258	1.1
232.05838	1.2
233.06621	1.8
239.07210	0.6
251.07016	0.4
257.08176	3.8
264.04639	0.3
268.03625	1.8
269.04535	3.0
275.09229	0.6
281.04517	2.4
282.05292	0.5
283.06091	17.2
285.03934	3.8
286.04382	0.5
293.04626	1.0
293.10306	0.5
295.06082	1.2
311.05618	24.2
312.05774	0.3
314.04385	0.6
323.05649	3.2
341.06659	6.6
369.08322	0.3
370.09039	4.2
401.08765	31.0
402.09109	0.6
403.09665	0.3
431.09784	0.6
449.14667	8.2
467.15588	72.2
468.15955	1.7
771.89581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46900	0.2
67.01901	0.3
69.03461	0.2
71.01400	0.8
79.60181	0.2
83.05033	0.2
85.02935	7.5
87.00856	2.1
93.03437	4.8
99.04515	0.4
109.02942	0.6
111.04520	1.4
113.02449	0.2
117.03452	1.2
123.04434	0.2
127.03992	2.7
132.02174	1.0
133.02933	6.2
135.04501	4.6
145.91406	0.2
155.03487	0.3
160.01610	2.9
161.02425	50.0
162.02722	0.8
171.02988	0.4
173.04541	2.4
179.03476	5.5
191.05598	100.0
192.05975	1.5
193.06142	0.3
203.47139	0.2
244.59203	0.1
250.06500	0.2
262.49039	0.2
323.07703	29.5
324.08032	0.8
341.08755	0.8
353.08749	1.3
353.11713	0.2
515.14056	43.8
516.14313	1.8
517.15076	0.9
664.57977	0.2
677.17316	0.2
717.36633	0.2
869.22021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99307	0.4
67.01899	1.3
69.03467	0.3
71.01380	1.0
81.03464	0.3
83.05025	0.4
85.02943	7.5
87.00872	3.2
89.02428	0.4
89.04515	0.2
93.03440	12.5
96.96008	0.9
99.00885	0.3
99.04509	0.3
109.02934	7.8
111.04530	2.3
111.85925	0.2
115.00362	1.0
125.02412	0.3
127.04002	2.1
133.02917	1.1
135.04497	10.8
136.04753	0.3
137.02405	0.4
145.02959	3.1
151.03906	0.4
155.03511	0.9
159.04486	1.4
161.02434	7.0
161.05972	0.8
171.02930	0.5
173.04520	10.6
179.03476	12.7
186.03185	0.3
187.03990	3.3
191.05597	100.0
192.05928	5.2
193.06131	0.5
199.93637	0.3
213.01910	1.1
214.02609	0.5
224.77794	0.3
225.05531	1.4
239.03500	1.9
239.07265	0.3
240.04271	0.4
243.06371	0.4
249.05556	0.3
253.05058	4.3
254.05766	1.6
255.06520	0.4
269.08112	1.5
277.04935	0.4
277.50424	0.2
279.02954	1.5
279.06323	0.3
280.03723	1.1
281.04535	4.1
281.08005	0.4
283.05896	0.4
289.05469	0.5
293.04639	0.3
295.06097	1.7
297.07721	1.5
297.11032	0.3
305.04523	0.4
307.06018	1.1
320.82370	0.3
323.05478	2.3
337.09421	0.3
339.04965	0.3
341.06079	0.4
341.09006	1.0
349.07132	0.4
353.08646	4.0
354.09259	0.3
363.08670	1.0
395.09659	1.3
405.09732	7.0
425.10678	0.9
455.11926	0.4
459.10672	0.3
503.10098	0.3
515.13824	9.4
517.13397	1.0
691.18781	3.9
692.19055	2.3
693.18640	0.9
741.26196	0.3
869.04840	0.4
869.21454	11.8
870.21790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
112.32655	0.5
114.06010	0.6
155.24817	0.6
160.80408	0.7
179.59961	0.7
219.20227	0.6
277.21539	2.3
278.22031	0.8
279.22495	1.1
655.29437	0.7
766.94708	0.7
889.11292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70192	0.4
65.00303	0.5
67.50737	0.5
83.01376	0.5
85.02932	1.1
87.00849	0.5
92.10138	0.9
93.03448	2.2
95.05001	1.2
97.17578	0.6
105.76690	0.4
108.02169	0.7
109.02935	24.1
117.03509	0.6
119.04971	1.3
121.02927	3.5
121.55077	0.5
123.04500	12.5
125.02421	2.6
133.02931	20.0
135.00854	0.9
135.04497	2.5
137.02434	1.1
145.02963	2.1
147.04535	5.1
149.02417	3.0
150.03249	0.8
151.00391	0.6
151.03998	8.5
159.04472	2.1
161.02420	10.2
163.00417	3.7
163.04002	3.7
165.01927	2.8
173.02342	1.2
175.03999	4.8
176.01122	0.6
177.01918	29.4
179.03470	0.9
185.02380	0.6
187.04013	2.3
189.01918	60.6
190.02716	12.9
191.03484	17.4
191.05580	9.7
192.05978	1.2
193.01376	2.2
199.04047	2.7
201.01961	2.4
203.03528	7.4
213.05554	0.9
215.03368	0.6
216.00650	9.4
217.01422	43.4
218.02142	2.8
219.03001	17.3
225.05385	1.2
227.03426	1.3
229.05084	0.7
231.02966	15.0
240.04315	0.9
241.05019	0.6
253.05075	1.2
255.03030	0.9
255.06516	1.2
269.04385	2.2
271.05911	0.5
281.04355	1.0
281.75558	0.6
284.03259	12.9
285.04004	12.0
289.07104	2.0
297.04037	29.2
297.07324	1.5
298.04782	14.2
299.05591	26.9
309.04001	1.1
311.05609	5.4
323.05618	2.2
324.02615	0.9
325.07346	0.6
327.05099	89.1
328.05371	4.0
339.05023	6.3
341.06653	94.8
342.06931	1.2
357.06174	34.2
363.05347	0.7
369.06088	2.8
381.06201	3.8
399.07068	0.8
417.08270	76.8
418.08536	4.6
419.08984	1.0
451.10345	100.0
452.10355	2.2
575.03790	0.8
727.94220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69867	0.3
67.01888	0.4
69.03460	0.6
71.01373	8.1
72.99323	0.4
73.02954	2.2
80.02671	1.6
81.03449	2.3
83.01389	0.7
83.05016	4.8
84.02177	0.9
85.02924	3.1
87.00862	3.5
89.02428	8.2
93.03436	3.4
95.01381	0.5
95.05020	0.7
97.02969	1.4
101.02419	6.9
109.02942	0.5
111.04517	0.5
113.02422	2.7
119.03489	1.9
121.02943	0.6
125.02402	1.9
125.06097	0.7
135.04469	1.5
135.08176	0.5
143.03471	0.7
151.00330	0.4
153.40388	0.4
161.02492	0.4
161.04529	0.8
163.11272	4.7
165.12814	3.2
173.04584	1.2
179.05594	1.5
181.12326	0.5
187.21646	0.4
191.05598	7.7
191.10777	1.5
192.05986	0.6
207.10289	0.4
209.11826	100.0
210.12050	0.8
227.12915	10.9
235.08214	0.9
253.09132	0.4
379.12613	2.3
397.13516	16.7
415.14679	4.3
449.14874	0.9
520.22772	0.4
554.57587	0.4
589.24768	0.6
607.26172	2.1
799.37494	0.6
867.37140	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	867.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	4.6
65.03970	0.3
67.01882	12.9
68.80021	0.2
69.03439	3.7
71.01367	5.1
72.99261	0.3
73.02947	0.4
81.03444	2.3
83.01372	0.3
83.05026	2.3
83.35013	0.2
85.02935	5.2
87.00860	20.6
89.02427	0.3
93.03436	93.2
94.03777	0.3
97.02901	0.4
99.00845	2.1
99.04496	1.5
101.02419	0.5
105.03446	0.4
108.02150	0.5
109.02937	1.5
111.00861	0.4
111.04507	15.8
113.02459	1.9
113.07173	0.3
115.03997	0.6
116.68543	0.3
117.03429	0.5
123.04519	0.3
124.01560	0.3
125.02393	0.5
127.03986	1.7
129.01912	2.7
131.18460	0.2
132.02130	1.0
133.02933	4.7
134.02731	0.4
134.03722	8.5
135.04497	16.1
137.02396	1.1
143.03444	1.1
149.02454	0.3
151.03976	2.3
154.34866	0.3
155.03525	3.6
160.01640	5.6
161.02376	1.4
162.03201	2.0
172.05293	0.3
173.04526	38.1
177.01912	0.6
178.02695	0.6
179.03465	4.5
187.07654	0.6
191.05598	57.7
192.05878	1.3
194.02116	0.3
197.58058	0.3
209.11737	0.4
215.05638	0.5
227.03313	0.4
227.12935	0.3
231.08266	0.3
231.10280	5.8
237.63174	0.3
257.08160	1.5
275.09213	7.0
276.74969	0.3
279.97977	0.3
283.13342	0.3
285.04056	0.3
295.14539	0.3
307.08356	0.4
308.09030	1.2
327.05466	0.4
351.07138	1.4
352.07846	1.9
353.08801	0.3
355.06900	0.3
357.06262	0.4
385.70822	0.3
417.08310	1.0
449.14551	100.0
450.14728	3.5
467.15176	0.3
585.23700	1.8
585.73779	1.0
759.62341	0.3
867.38257	0.5
887.58612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.7
65.00317	4.8
67.38574	0.1
71.01377	0.9
73.02953	0.2
75.87715	0.1
81.03404	0.1
83.01376	2.9
85.02959	0.8
93.03446	0.8
99.00870	0.2
99.78551	0.1
101.02414	1.0
107.01378	14.9
108.99301	0.2
109.02934	1.1
113.02425	0.7
125.02425	4.0
133.02946	0.7
134.03752	0.7
135.04504	59.7
136.01649	0.3
136.04811	0.3
151.00354	100.0
152.00729	0.6
158.65753	0.1
159.04510	0.2
161.02428	1.4
161.04543	0.7
164.01146	1.0
165.01883	0.9
169.01369	1.4
173.04564	0.2
174.03271	0.1
177.01894	0.9
191.05542	1.0
196.00104	0.6
199.04056	0.2
201.01897	0.2
201.17844	0.1
202.02061	0.1
222.22737	0.1
264.32452	0.1
269.04620	0.8
285.04050	1.3
287.05612	44.0
288.06100	0.2
297.04083	1.7
297.09836	0.7
298.04486	0.2
299.05634	0.8
300.02750	0.5
323.07758	0.2
325.03595	0.7
327.05130	2.6
328.05536	0.2
331.17532	0.9
331.77362	0.2
343.04663	1.7
357.06079	0.8
373.18701	0.8
429.08170	0.9
447.09253	0.8
449.10876	49.0
450.11240	0.8
618.44324	0.1
623.59534	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	0.6
67.66157	0.3
69.03426	0.4
71.01374	0.7
79.01907	0.4
85.02939	7.6
87.00851	2.8
93.03439	10.8
95.01366	0.4
97.02935	0.6
105.03449	0.4
107.01360	0.4
109.02969	2.5
111.04524	2.4
119.05013	0.5
121.02946	0.8
125.02439	1.6
127.03991	1.9
133.02939	13.2
134.27304	0.4
135.04506	2.1
135.61601	0.4
137.02438	0.5
139.03938	0.4
147.04521	2.2
149.02452	0.7
151.00372	0.5
151.03909	0.5
159.04521	0.4
161.02451	1.9
163.00369	2.0
163.04034	3.2
165.00725	0.4
165.01933	2.4
173.02399	0.7
173.04532	5.8
174.03209	0.7
175.04001	4.8
177.01973	0.8
179.03516	0.5
185.02448	0.5
187.03932	0.5
187.07626	7.7
191.05602	88.7
192.05940	0.9
193.01440	2.1
197.06104	0.6
198.03197	0.4
199.04060	2.6
200.04803	0.5
201.01990	1.6
201.10919	0.4
202.06264	0.8
203.03401	0.5
211.03981	0.6
212.04787	0.4
213.05641	1.6
213.09235	4.4
215.07184	0.8
225.05472	0.8
227.03477	0.6
227.07054	0.7
228.04282	0.8
229.05055	0.6
229.08682	0.4
231.06691	0.5
231.10236	3.0
240.04236	0.5
241.05190	0.8
253.05113	1.8
255.03021	0.9
255.06738	0.5
256.03845	0.5
257.08200	13.8
265.05527	0.4
269.04434	1.5
271.06216	0.8
275.09311	3.1
283.06079	0.4
284.03271	10.0
285.03995	7.7
297.04025	17.9
298.04816	11.7
299.05594	23.9
309.04144	1.3
311.05679	4.1
324.03070	0.8
325.03455	0.8
327.05106	100.0
328.05597	2.1
329.05774	0.4
339.05099	4.2
357.06171	21.6
363.05319	0.7
369.06137	1.9
381.06122	2.3
381.27411	0.4
404.66260	0.4
417.08295	83.1
418.08829	3.5
431.13531	8.8
449.14532	13.1
449.20313	0.9
493.89038	0.4
601.53180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41424	0.3
67.01880	0.8
69.03440	0.4
71.01391	1.9
79.01849	0.4
81.03443	0.5
83.05016	0.4
85.02933	7.6
85.69232	0.3
87.00854	3.4
93.03439	9.9
99.04470	0.4
109.02948	2.4
111.04511	2.4
121.02909	0.8
123.00761	0.4
124.68784	0.4
125.02423	0.9
127.03999	2.2
133.02934	11.7
135.04536	1.5
137.02478	0.7
147.04501	0.7
149.02428	1.6
151.00340	0.4
151.03860	0.5
152.69450	0.5
155.03479	0.6
159.04599	0.5
161.02466	1.9
163.00363	1.7
163.04001	3.5
165.01862	3.1
171.02966	0.4
172.05281	0.5
173.04578	6.3
173.06027	0.7
174.03117	0.6
175.03947	4.2
177.01897	0.7
184.05360	0.4
187.03970	0.6
187.07634	8.2
191.05598	89.0
192.05931	0.8
193.01370	2.1
194.07178	0.4
197.06081	0.6
199.04028	2.3
201.01894	2.0
202.06453	1.4
203.03532	0.5
211.04044	0.6
211.07726	0.5
213.05598	1.4
213.09201	4.5
215.07193	0.8
217.05229	0.5
225.05458	0.4
226.89635	0.4
227.03455	0.8
227.07135	0.5
228.04248	0.5
229.08658	0.4
231.06528	2.1
231.10252	2.5
239.07195	0.4
240.04196	0.8
241.05054	0.8
243.02827	1.3
253.05048	1.6
255.02859	0.6
255.06673	1.8
257.08179	15.4
267.06635	0.4
269.04520	1.9
271.06134	0.6
275.09210	3.4
284.03229	12.7
285.04013	7.9
297.04022	16.4
298.04752	12.1
299.05600	23.6
309.04135	0.6
311.05557	3.7
323.34955	0.4
325.03503	0.8
327.05090	100.0
328.05411	2.8
339.05090	4.6
341.06628	0.9
357.06146	20.8
369.06241	0.7
381.06186	2.4
417.08264	86.3
418.08527	2.4
431.13470	9.9
449.14560	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	867.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41424	0.3
67.01880	0.8
69.03440	0.4
71.01391	1.9
79.01849	0.4
81.03443	0.5
83.05016	0.4
85.02933	7.6
85.69232	0.3
87.00854	3.4
93.03439	9.9
99.04470	0.4
109.02948	2.4
111.04511	2.4
121.02909	0.8
123.00761	0.4
124.68784	0.4
125.02423	0.9
127.03999	2.2
133.02934	11.7
135.04536	1.5
137.02478	0.7
147.04501	0.7
149.02428	1.6
151.00340	0.4
151.03860	0.5
152.69450	0.5
155.03479	0.6
159.04599	0.5
161.02466	1.9
163.00363	1.7
163.04001	3.5
165.01862	3.1
171.02966	0.4
172.05281	0.5
173.04578	6.3
173.06027	0.7
174.03117	0.6
175.03947	4.2
177.01897	0.7
184.05360	0.4
187.03970	0.6
187.07634	8.2
191.05598	89.0
192.05931	0.8
193.01370	2.1
194.07178	0.4
197.06081	0.6
199.04028	2.3
201.01894	2.0
202.06453	1.4
203.03532	0.5
211.04044	0.6
211.07726	0.5
213.05598	1.4
213.09201	4.5
215.07193	0.8
217.05229	0.5
225.05458	0.4
226.89635	0.4
227.03455	0.8
227.07135	0.5
228.04248	0.5
229.08658	0.4
231.06528	2.1
231.10252	2.5
239.07195	0.4
240.04196	0.8
241.05054	0.8
243.02827	1.3
253.05048	1.6
255.02859	0.6
255.06673	1.8
257.08179	15.4
267.06635	0.4
269.04520	1.9
271.06134	0.6
275.09210	3.4
284.03229	12.7
285.04013	7.9
297.04022	16.4
298.04752	12.1
299.05600	23.6
309.04135	0.6
311.05557	3.7
323.34955	0.4
325.03503	0.8
327.05090	100.0
328.05411	2.8
339.05090	4.6
341.06628	0.9
357.06146	20.8
369.06241	0.7
381.06186	2.4
417.08264	86.3
418.08527	2.4
431.13470	9.9
449.14560	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	865.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35377	0.6
64.33591	0.6
71.01378	3.4
85.23782	0.7
89.02451	2.6
91.89232	0.6
96.99311	1.1
101.02431	3.1
113.02444	0.7
181.45480	0.6
195.13902	10.0
209.11812	2.9
209.40768	0.6
210.12141	0.8
223.13397	5.7
224.31584	0.6
253.09247	14.3
255.23334	0.9
256.13190	1.0
256.23624	1.0
275.20190	7.4
293.21213	100.0
294.21515	1.6
309.20187	0.7
372.68036	0.7
378.52646	0.7
399.13757	0.7
519.00415	0.9
529.30267	1.4
569.42188	1.0
580.21649	0.7
656.05267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15138	0.6
61.98831	6.1
69.83482	0.7
71.01403	2.8
73.02950	0.7
77.81958	0.6
78.03248	0.6
80.28621	0.6
81.47276	0.7
85.02974	1.0
89.02472	2.4
93.65726	0.6
101.02440	4.1
104.08820	0.7
111.08163	3.7
113.02444	0.9
137.82448	0.7
161.04533	1.3
169.12294	3.7
171.10178	0.7
197.11815	23.0
199.13275	0.7
199.89478	0.7
209.15398	1.2
211.13406	4.0
222.13464	0.8
225.14934	1.2
235.08147	5.3
242.27390	0.7
253.09264	9.1
263.20258	1.4
277.21698	100.0
291.19666	15.1
309.20712	34.0
513.31158	1.2
527.27954	0.7
545.29620	1.0
795.27777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50829	1.1
69.03464	1.3
71.01385	16.9
83.01383	2.0
83.05036	5.3
85.02943	9.3
87.00867	6.5
89.02435	16.4
89.41668	1.2
92.10782	1.6
93.03463	6.7
95.01390	2.0
97.02933	2.6
101.02418	14.2
113.02460	8.5
119.03517	2.5
123.22565	1.2
125.02425	9.1
129.01955	1.4
135.04518	2.3
137.02422	2.5
138.03235	2.0
141.09282	1.2
147.60475	1.2
153.05489	1.3
161.02449	1.9
161.04582	1.5
163.11263	2.8
165.12849	2.3
169.12315	7.3
169.45515	1.2
173.04364	1.3
176.01149	1.9
177.01958	2.5
191.03748	2.3
191.05565	22.4
192.04289	1.8
192.05995	1.5
193.01369	1.4
197.11821	88.2
207.06677	2.1
208.03845	1.5
209.11823	100.0
221.06581	2.1
223.06137	5.9
227.12892	13.4
235.08131	2.2
379.12363	8.8
397.13580	31.3
415.14664	6.3
577.25171	5.1
595.26245	7.2
607.25824	2.4
865.27112	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	865.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78544	1.2
68.99816	2.8
72.01645	1.3
75.06597	1.1
96.99304	12.4
104.76018	1.5
133.98149	1.3
141.01685	100.0
186.24066	1.7
209.11839	36.6
231.09982	7.7
249.09821	7.0
253.09363	2.0
277.21680	20.6
359.21936	3.0
509.32568	2.4
535.27808	1.6
593.05829	1.4
682.31366	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	865.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	1.2
96.99284	11.6
140.00542	1.2
141.01691	100.0
151.95042	1.3
187.66347	1.8
201.02605	1.5
209.11821	21.0
227.12851	1.9
231.09941	3.0
235.08189	1.9
249.09541	2.4
277.21710	28.0
289.58545	1.3
291.11713	1.3
359.21930	8.0
361.46466	1.3
451.76361	1.3
509.32202	1.4
535.28845	2.1
629.21814	1.5
745.40057	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	865.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	1.1
64.47587	0.2
67.01878	4.3
67.81629	0.1
69.03442	2.0
71.01364	2.4
73.02934	0.3
75.71522	0.2
79.63786	0.1
81.03464	1.2
83.05016	0.9
85.02934	6.4
87.00856	8.2
89.03952	0.9
89.67746	0.1
93.03436	33.8
94.03788	0.2
95.01381	0.1
97.06567	0.2
99.00854	0.9
99.04519	1.1
101.02422	0.3
104.15956	0.2
108.02140	0.7
109.02947	1.3
111.04506	5.6
113.02421	0.8
115.04021	0.2
117.02684	0.2
117.03448	4.0
121.02946	0.7
122.03705	0.2
123.04544	0.2
124.01608	1.2
125.02420	1.1
126.03199	0.2
127.03989	1.9
129.01907	0.8
132.02153	2.1
133.02925	1.9
134.03734	4.8
135.04500	18.4
137.02391	0.9
143.03474	0.4
149.02446	0.2
150.03204	0.9
151.00348	0.3
151.03998	2.5
155.03520	1.3
160.00299	0.4
160.01639	11.7
161.02409	1.5
162.03198	2.0
163.03914	0.2
171.02954	0.6
173.04521	12.4
177.01886	1.5
178.02663	1.0
179.03456	4.6
187.07605	0.7
191.05595	100.0
192.05916	1.1
195.15096	0.2
200.30261	0.1
213.09224	0.6
215.05606	0.7
231.10219	0.3
257.08151	4.4
275.09256	4.7
285.03802	0.2
290.07944	0.2
307.08249	1.1
308.09058	2.3
351.07211	3.8
352.07922	4.4
449.14532	40.5
450.14865	1.1
452.24185	0.2
718.94879	0.2
750.72791	0.2
803.25830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
73.93884	0.4
81.03458	1.0
83.01369	3.1
85.02938	0.9
85.11183	0.4
87.00874	0.7
89.03983	0.6
93.03434	4.2
95.05006	0.9
97.02912	1.9
107.04991	1.7
109.02944	13.0
117.03459	0.7
119.05047	0.8
121.02936	3.9
122.03690	0.7
123.04499	8.8
125.02419	100.0
126.02728	0.5
131.05003	1.6
133.02930	6.1
135.04485	2.2
136.01590	0.4
137.02414	15.4
138.03297	0.4
139.03984	2.0
145.02946	0.8
146.03719	0.9
147.04512	0.8
149.02434	5.1
149.06073	0.5
150.03157	0.7
151.03983	13.3
155.05026	0.5
159.04475	3.7
161.02422	35.1
161.06053	2.3
162.03116	2.4
163.00365	3.2
163.03990	4.5
164.01129	7.6
165.01947	5.6
167.03444	1.6
173.02509	0.5
173.04488	1.5
173.06042	1.7
174.03180	1.0
175.03981	17.6
175.07545	0.8
176.01147	0.9
177.01921	12.3
177.05568	1.6
179.03549	3.0
179.04810	0.4
181.06413	0.4
183.04504	0.6
185.06068	0.8
186.03226	0.4
187.03981	7.1
188.04727	2.3
189.01912	3.2
189.05571	1.6
191.03677	1.3
191.05591	14.4
193.05031	0.8
199.03911	3.5
200.04872	0.5
201.01888	1.8
201.05540	3.0
202.06427	0.5
203.03476	3.4
203.05309	0.6
203.07083	6.1
205.01353	1.9
205.05020	4.5
211.03967	0.8
212.04698	0.7
213.05536	1.5
214.02733	0.8
215.03470	1.5
216.00558	0.4
217.01654	0.5
217.05075	7.2
219.02953	4.7
219.06577	0.7
221.04419	0.6
225.05544	1.8
227.03477	2.9
227.07159	0.8
228.04211	0.7
229.05132	3.7
231.02924	0.9
231.06476	0.5
239.65958	0.5
241.05025	1.0
243.02933	19.1
243.06628	1.9
245.04533	12.8
245.08101	5.9
253.05040	0.6
255.02965	8.5
256.03754	3.4
257.04501	1.6
259.05975	0.7
261.03946	6.0
267.02887	0.5
269.04440	4.2
271.06006	0.7
273.04047	2.0
281.04565	3.5
283.02435	2.8
284.03061	0.5
285.04041	2.4
285.07306	0.5
287.05600	18.7
289.07172	21.2
295.06064	0.6
297.04227	0.8
299.05603	3.2
305.04550	0.5
327.05209	0.4
327.08786	1.9
329.06836	0.5
339.08682	2.0
341.06659	2.2
363.05133	0.7
363.16498	0.5
381.09784	0.5
383.07562	0.5
389.06717	0.5
405.05957	4.6
407.07678	20.5
413.08835	4.6
417.06418	0.6
423.07281	2.8
425.08719	8.5
449.08893	4.1
451.10464	5.1
501.14438	1.0
525.08295	2.7
533.11383	0.4
543.09271	2.5
559.12646	0.9
561.09882	0.8
575.12006	4.5
577.13452	7.3
587.11798	1.9
655.48212	0.4
695.14032	6.1
713.15118	2.9
739.16205	1.8
865.19995	2.0
873.72034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.3
71.01366	15.4
73.02939	2.0
80.96535	1.3
83.01354	1.3
85.02950	5.4
87.00851	1.5
89.02429	15.8
97.02934	1.1
99.00851	1.2
101.02419	13.9
113.02427	6.8
119.03471	4.4
125.02454	3.9
158.24373	1.3
165.12814	6.9
183.13872	48.1
221.06612	1.4
227.12837	4.1
235.08139	2.2
255.23282	77.2
397.13574	4.9
643.81873	1.2
863.50012	100.0
864.50366	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	865.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25353	0.3
63.02403	0.6
63.71454	0.3
65.00345	0.6
72.22961	0.3
73.38147	0.3
83.01393	0.3
86.86000	0.4
107.01395	1.9
109.02973	0.5
116.73190	0.3
121.02987	1.4
125.02428	1.4
133.02928	12.4
134.03783	0.8
135.00867	0.4
135.04568	0.5
137.02498	0.5
143.22675	0.3
149.02466	1.9
151.00354	3.6
159.04535	0.3
161.02458	2.1
163.00317	2.8
163.03999	1.8
165.01904	0.7
175.03983	4.4
177.01974	0.7
179.03491	0.5
187.04123	0.4
189.01810	0.4
189.05862	0.3
191.03391	0.5
191.05617	1.6
193.01471	0.8
197.05936	0.5
199.03973	3.0
201.01901	0.7
203.03496	1.4
211.03978	0.7
212.04698	0.5
213.05562	0.8
217.05046	1.3
224.04924	0.4
225.05559	1.3
227.03503	2.0
233.42789	0.3
240.04318	0.5
241.05096	1.2
243.02905	0.7
253.05013	0.8
255.02910	2.1
256.03751	3.8
267.02890	0.4
267.06735	0.5
269.04538	2.6
270.05020	0.3
284.00903	1.3
284.03250	56.1
285.04037	100.0
286.04449	2.3
297.04034	25.6
298.04797	20.1
299.05576	9.8
309.03854	0.6
311.05661	5.8
324.02786	2.0
325.03473	1.7
325.07080	0.5
327.05096	44.3
328.05383	0.7
339.05093	7.4
341.06708	1.7
357.06161	49.5
358.06534	1.6
363.05127	0.7
369.06250	2.0
373.67557	0.3
381.06161	3.2
399.07153	5.6
417.08264	85.6
418.08536	3.1
447.09335	59.4
448.09674	2.0
652.07611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55817	0.3
69.03465	1.6
71.01369	17.8
72.99304	0.5
73.02925	3.7
76.44075	0.3
80.02673	1.5
81.03466	1.5
83.01373	2.3
83.05004	4.6
84.02168	0.8
85.02946	3.7
87.00866	3.6
89.02428	17.4
89.02962	0.7
89.50157	0.3
95.01384	1.4
95.05049	0.7
97.02921	3.2
99.00871	0.9
101.02424	12.8
113.02427	7.5
119.03472	4.6
119.47343	0.4
121.02930	0.3
124.01615	0.4
125.02410	5.7
125.06025	0.4
131.03532	0.3
139.04005	0.6
139.36703	0.4
143.03493	2.2
147.61696	0.3
149.04588	0.4
161.04541	2.1
163.11263	4.3
165.12834	3.0
179.05602	2.4
191.10706	1.4
208.08397	0.4
209.11818	100.0
210.12123	0.5
211.86713	0.4
217.07234	0.5
221.06581	1.6
223.10669	0.3
227.12875	10.2
235.08228	4.6
253.09413	0.5
255.23273	64.1
256.23621	0.7
258.75317	0.4
263.07715	0.5
269.24814	0.7
281.08121	0.4
287.07736	1.6
305.08737	0.7
323.09824	0.8
379.12424	7.0
380.12927	0.4
397.13504	39.7
398.13605	0.5
415.14627	8.0
589.25146	0.7
607.26111	0.6
653.37683	2.2
688.45587	0.4
741.87781	0.4
772.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52881	1.9
69.62083	1.8
71.01373	9.7
73.02958	2.0
74.03674	2.0
74.07742	2.0
79.01068	1.8
80.96495	2.1
89.02432	8.2
95.01415	2.4
96.99297	20.6
101.02390	2.6
113.02426	2.3
141.00584	3.6
141.01685	100.0
163.11224	3.5
179.05591	2.9
194.72830	2.0
195.04022	2.0
200.99022	2.0
207.10310	3.7
209.11819	55.3
224.82614	1.8
247.09608	3.2
255.23309	36.3
272.76923	2.1
277.21677	2.4
379.12582	2.7
397.13379	21.3
476.85596	2.0
721.40613	3.0
753.87738	3.5
899.20093	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	863.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93545	1.6
61.98870	1.5
63.64670	1.4
68.23814	1.5
71.01395	13.6
76.56799	1.9
80.96530	1.9
83.05035	3.8
85.02949	7.0
87.00874	3.1
89.02425	17.3
97.02942	2.1
101.02454	13.4
113.02439	9.2
116.92845	3.0
119.03481	6.8
125.02432	2.9
141.01706	15.0
148.96906	1.8
163.11261	3.7
165.12769	2.0
165.60501	1.9
179.05708	2.3
207.10222	1.8
209.11824	100.0
227.12915	11.8
235.08308	2.8
255.20653	3.2
255.23262	63.9
271.34018	1.8
379.12335	8.9
397.13437	31.8
415.14526	8.1
513.47284	1.8
723.06219	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	861.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	23.5
74.01148	2.3
79.95727	3.4
80.96502	3.4
81.03482	2.7
85.02938	3.1
87.00906	4.6
89.02421	23.9
97.02941	12.2
101.02451	18.2
109.06598	32.3
109.27863	2.4
111.08161	2.4
113.02447	11.7
119.03490	4.0
121.47981	2.3
125.02440	5.4
134.89458	4.3
135.08136	3.5
139.43921	2.7
145.20171	2.8
146.60667	2.7
163.11290	20.1
181.12260	2.8
189.09244	3.4
207.10265	100.0
209.11792	3.5
225.11333	40.9
255.23323	72.2
291.19623	3.9
372.35843	2.8
397.13553	30.3
504.74091	2.9
861.48273	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38457	0.1
67.01892	0.2
67.98878	0.1
68.59893	0.1
70.46736	0.1
71.01382	0.5
73.02934	0.1
75.41465	0.1
81.03452	0.2
85.02938	5.1
87.00866	1.3
89.02441	0.1
91.46870	0.1
93.03439	3.1
96.44884	0.1
99.04510	0.1
100.01089	0.1
101.02398	0.1
109.02960	0.5
111.04517	1.2
111.31706	0.1
113.02499	0.1
119.05013	0.8
125.02402	0.2
127.03996	1.9
135.04567	0.1
145.02911	0.8
145.08739	0.1
155.03461	0.1
161.02484	0.1
163.03947	0.8
167.65242	0.1
171.02980	0.5
173.04523	1.6
191.05603	100.0
192.05965	1.4
200.39409	0.1
307.13934	0.2
337.09314	16.9
338.09653	0.6
353.08807	0.1
445.40100	0.1
462.66333	0.1
535.56299	0.1
697.43835	0.1
722.99658	0.1
736.21582	0.1
845.65045	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	859.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53402	11.6
62.24599	10.6
92.10125	31.8
116.92865	31.8
117.92860	12.4
123.03795	12.4
124.26318	12.1
134.02684	13.2
134.89450	65.2
136.89149	67.5
235.08185	21.2
246.12593	13.0
253.09137	16.6
277.21652	100.0
314.17303	13.8
327.21848	58.5
334.69284	13.9
350.01291	14.0
447.48685	15.2
799.80914	16.7
859.49658	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	55.9
71.05018	11.9
72.99317	4.3
73.02924	0.9
77.47134	0.6
78.86996	0.8
79.46024	0.7
83.01376	4.2
85.02950	14.1
86.41540	0.7
87.00866	3.6
89.02435	78.1
92.10163	3.3
92.63767	0.7
93.03477	1.7
95.01383	4.7
99.04511	12.1
101.02426	31.7
111.08114	1.1
113.02446	28.5
119.03477	27.2
123.08118	0.8
125.02410	1.0
131.03462	2.7
135.04503	3.8
136.80765	0.6
141.26196	0.8
143.03558	5.2
143.04567	0.8
144.38342	0.7
149.04475	1.5
150.91220	0.6
151.00333	3.9
161.04578	4.9
162.62697	0.7
173.04475	0.8
179.05600	30.3
179.14371	1.3
191.05600	11.7
223.13390	100.0
224.13615	1.1
231.77611	0.7
239.69882	0.8
285.04083	1.1
287.05576	1.4
291.92874	0.7
358.75363	0.8
376.93234	0.7
403.19699	64.2
404.19696	1.0
686.04749	0.8
833.91998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
75.81580	0.2
79.06278	0.3
79.63107	0.3
91.68114	0.3
99.92558	2.3
116.92870	0.5
132.89941	0.4
133.01410	0.4
134.86702	2.1
134.89461	100.0
135.89453	1.4
144.48834	0.3
206.15309	0.3
342.02341	0.3
766.56335	0.3
879.02216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08675	0.3
68.06467	0.3
69.98190	0.2
82.71168	0.3
99.92567	2.6
117.46732	0.3
120.63484	0.3
132.90016	0.7
133.01437	0.3
134.86699	2.3
134.89455	100.0
135.89456	1.6
202.60948	0.3
207.10233	0.4
221.31323	0.3
225.11325	0.3
233.17940	0.3
397.13150	0.4
602.03687	0.3
661.60101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13784	13.3
66.34354	13.5
73.32654	15.3
73.83315	15.2
103.00387	28.7
115.21787	17.0
116.92870	29.0
118.91237	14.4
124.53123	15.0
127.47552	15.2
131.23521	16.4
134.89468	32.7
136.89169	31.3
171.10228	20.0
219.66644	18.4
231.79050	15.7
235.08078	16.3
277.21683	85.1
296.91129	16.4
323.86023	17.3
325.84842	16.2
327.21820	100.0
787.97876	17.5
859.49500	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27749	0.6
71.01364	0.9
71.05008	1.2
92.10118	1.2
209.11763	3.9
249.18520	3.6
277.05765	0.6
350.64655	0.7
369.27972	0.8
377.28625	0.7
397.13367	0.8
403.29807	1.0
407.29926	0.7
423.32645	1.0
425.30649	1.2
437.30899	0.9
441.33636	1.0
467.31671	15.0
485.32727	100.0
486.32974	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	858.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
77.99970	2.6
82.95390	22.2
84.00897	100.0
84.95091	3.3
92.10911	5.6
102.99733	2.4
198.62244	2.7
277.18869	4.5
277.21707	92.5
292.57059	3.6
372.13358	3.1
372.19739	2.9
416.78577	3.1
519.98773	3.0
772.30676	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	857.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24038	0.2
67.01889	0.9
71.01379	1.4
73.02988	0.3
73.59037	0.3
75.25176	0.2
81.03462	0.3
83.05044	0.3
84.37634	0.2
85.02934	7.6
85.03408	0.4
87.00874	2.6
93.03436	8.1
96.96001	1.6
99.35677	0.2
107.42560	0.3
109.02950	1.1
111.04478	1.9
115.03992	0.2
127.04008	2.1
133.02937	2.1
134.03751	0.3
135.04494	4.7
137.02452	0.4
151.04028	0.3
157.61658	0.3
161.02429	3.9
161.67485	0.3
171.02950	0.5
173.04547	3.0
177.01886	0.4
179.03462	1.9
191.05606	100.0
192.05991	1.5
251.75746	0.2
265.05078	0.3
311.05746	0.3
346.13269	0.2
353.08835	7.5
371.68539	0.3
449.14398	2.6
813.35455	4.2
857.42657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73095	0.7
66.35425	0.7
78.46156	0.8
92.10188	1.3
92.63519	1.1
99.92562	7.7
116.92843	100.0
117.92828	1.3
134.89447	2.0
152.33072	0.9
209.00447	0.9
309.20724	0.9
320.58548	0.9
349.55234	1.0
465.48965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24038	0.2
67.01889	0.9
71.01379	1.4
73.02988	0.3
73.59037	0.3
75.25176	0.2
81.03462	0.3
83.05044	0.3
84.37634	0.2
85.02934	7.6
85.03408	0.4
87.00874	2.6
93.03436	8.1
96.96001	1.6
99.35677	0.2
107.42560	0.3
109.02950	1.1
111.04478	1.9
115.03992	0.2
127.04008	2.1
133.02937	2.1
134.03751	0.3
135.04494	4.7
137.02452	0.4
151.04028	0.3
157.61658	0.3
161.02429	3.9
161.67485	0.3
171.02950	0.5
173.04547	3.0
177.01886	0.4
179.03462	1.9
191.05606	100.0
192.05991	1.5
251.75746	0.2
265.05078	0.3
311.05746	0.3
346.13269	0.2
353.08835	7.5
371.68539	0.3
449.14398	2.6
813.35455	4.2
857.42657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24038	0.2
67.01889	0.9
71.01379	1.4
73.02988	0.3
73.59037	0.3
75.25176	0.2
81.03462	0.3
83.05044	0.3
84.37634	0.2
85.02934	7.6
85.03408	0.4
87.00874	2.6
93.03436	8.1
96.96001	1.6
99.35677	0.2
107.42560	0.3
109.02950	1.1
111.04478	1.9
115.03992	0.2
127.04008	2.1
133.02937	2.1
134.03751	0.3
135.04494	4.7
137.02452	0.4
151.04028	0.3
157.61658	0.3
161.02429	3.9
161.67485	0.3
171.02950	0.5
173.04547	3.0
177.01886	0.4
179.03462	1.9
191.05606	100.0
192.05991	1.5
251.75746	0.2
265.05078	0.3
311.05746	0.3
346.13269	0.2
353.08835	7.5
371.68539	0.3
449.14398	2.6
813.35455	4.2
857.42657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93996	0.2
99.92540	1.8
102.24037	0.2
115.00336	0.4
132.90007	0.2
134.89456	100.0
135.89452	1.3
225.49069	0.3
277.21783	0.3
610.31421	0.3
736.40424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	3.3
65.03979	0.7
65.97553	0.6
66.86411	0.6
67.01878	11.4
67.47697	0.6
68.02121	0.7
69.03456	4.2
71.01373	13.2
71.01694	0.8
73.02946	3.1
81.03465	3.7
83.05042	3.1
85.02944	12.9
87.00863	26.2
87.04468	1.0
89.02438	3.8
93.03439	100.0
95.01375	1.3
99.00858	1.3
99.04523	1.1
101.02425	5.6
104.87705	0.7
108.02152	1.4
109.02958	4.5
111.04514	16.6
113.02433	5.1
113.03190	0.7
115.15714	0.7
122.03755	1.2
125.02399	1.8
127.03990	3.0
129.01924	3.8
133.02946	4.0
135.04498	15.2
137.02411	3.6
145.02934	1.2
151.00374	1.4
152.01080	0.9
153.01967	1.5
155.03477	6.4
159.73886	0.8
161.02452	1.4
161.06027	1.7
162.06842	1.5
163.07617	3.4
173.04530	29.5
173.06000	1.6
175.03909	1.0
177.01859	0.8
177.09164	5.8
179.03462	2.9
189.09232	1.3
191.05598	79.1
192.05942	0.8
221.11890	1.1
227.13988	0.9
233.11838	12.6
247.11066	1.0
247.13383	14.4
257.08475	0.9
265.14444	23.2
285.04034	56.1
327.05151	1.3
409.18500	3.8
427.19604	12.8
443.11914	0.8
449.14691	1.0
461.06955	15.5
500.45007	0.8
502.90149	0.9
597.29260	4.5
631.92291	1.0
639.30334	0.8
663.07544	0.8
701.27032	0.8
813.35535	78.5
814.35474	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	857.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09396	0.2
86.85295	0.2
92.10160	1.0
93.77684	0.2
93.96416	0.2
99.92577	2.1
114.25680	0.2
115.00307	0.3
116.92800	0.3
118.21698	0.2
132.90021	0.9
134.89459	100.0
135.89481	0.9
169.96400	0.2
326.97379	0.3
393.20084	0.2
484.33746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47457	0.9
67.01893	1.8
71.01382	9.6
83.01389	2.4
85.02927	11.1
87.00856	8.2
89.02447	2.1
93.03452	9.1
93.86368	1.1
99.00883	7.4
101.02457	4.9
109.02967	8.6
111.00882	1.2
113.02451	7.0
115.00362	20.0
119.03529	1.1
124.01663	1.0
125.02471	1.3
127.00372	2.3
133.02957	8.6
133.06558	1.0
135.04514	8.8
137.02397	1.3
145.02919	1.4
147.04495	6.1
149.02365	1.7
149.06071	43.5
151.34569	1.0
159.04533	1.6
161.02428	45.3
161.05966	1.9
163.04007	5.3
165.05481	1.5
173.04485	2.3
174.03201	1.7
175.02455	40.4
175.03963	12.6
177.01907	14.6
177.05591	2.3
179.03455	4.3
187.04010	2.4
189.05562	4.9
190.02608	1.4
191.03726	2.3
191.05615	43.8
192.05943	7.9
193.05034	6.2
203.03508	2.0
205.05069	2.3
215.03494	8.3
219.02960	16.7
228.07654	1.4
229.05064	1.5
231.06633	2.4
233.04578	19.1
236.55788	1.2
237.04080	25.9
245.04482	2.2
247.06317	1.2
255.10246	8.1
256.10587	6.3
257.04568	1.3
275.05557	6.7
277.03464	6.6
293.06732	7.3
319.04599	1.5
337.05420	25.0
439.29745	1.1
445.58234	1.1
455.11569	4.8
499.10947	100.0
500.11490	1.8
517.13556	5.9
518.13898	7.7
519.14301	9.5
728.09216	1.4
784.34332	1.3
792.65106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5985
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52891	1.1
71.01404	0.8
78.39883	0.9
82.95397	1.2
91.96658	0.8
96.95995	1.3
98.24396	0.9
153.47322	0.9
155.10486	0.8
164.55002	0.9
171.33519	0.9
191.05647	4.5
377.28445	1.9
393.31741	1.9
422.46045	0.9
423.32712	11.3
425.34216	3.5
437.30295	1.1
441.33789	3.8
457.32907	1.4
467.31744	3.6
469.33340	7.9
486.32816	1.0
487.34271	100.0
488.34683	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	857.214
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99287	0.2
65.00332	0.4
67.01894	1.2
69.03468	0.3
71.01379	1.4
73.02914	0.2
77.03960	0.5
77.37566	0.2
79.01897	0.4
81.03455	0.4
81.72206	0.3
83.01389	0.5
85.02959	1.3
87.00853	2.2
93.03433	10.6
95.05045	0.2
96.96033	0.2
97.02943	0.5
101.02436	0.3
105.03462	0.5
107.01392	0.5
109.02935	3.5
111.04520	2.0
113.02421	0.5
119.05006	10.2
121.02925	1.7
123.04539	0.3
125.02441	1.7
133.01929	0.5
133.02931	14.1
134.03702	0.5
135.04497	3.5
137.02429	0.6
145.02974	0.4
147.04504	1.4
148.01697	0.3
149.02428	2.2
151.00340	1.0
151.03970	1.0
155.03464	0.5
161.02434	2.7
163.00368	2.2
163.03987	14.0
164.00986	0.3
165.01926	2.0
173.04607	2.6
173.05963	0.4
174.03166	0.3
175.03964	3.9
177.01814	1.9
177.09175	0.5
179.03490	1.2
189.09196	0.2
191.03517	2.7
191.05592	10.2
193.01416	2.7
198.03223	0.4
199.04018	2.3
201.01909	1.5
203.03476	0.6
211.04013	0.5
211.07622	0.3
212.04779	0.5
213.05574	1.4
217.04955	0.4
217.66592	0.3
225.05542	1.3
227.03464	0.5
227.07069	0.4
227.13911	0.4
229.04993	0.3
231.06691	0.4
240.04248	1.2
241.04993	1.3
243.02896	0.3
247.13322	1.4
253.05000	1.3
255.02940	1.0
255.06627	1.1
256.03781	0.3
265.05096	0.4
265.14490	2.0
269.04480	1.2
271.06195	0.3
281.04437	0.5
284.03235	12.1
285.04034	8.1
297.00623	0.5
297.04022	18.7
298.04785	11.7
299.05585	22.5
309.04114	1.3
311.05576	3.8
324.02640	0.9
325.03650	0.7
325.09506	3.1
327.05081	100.0
328.05411	2.0
339.05072	4.2
341.06808	0.4
353.06586	0.4
357.06146	22.0
363.05035	1.2
369.06134	1.3
381.06140	2.9
391.25003	0.3
417.08249	88.0
418.08475	2.1
427.19803	0.6
439.11520	0.3
473.81012	0.2
579.42548	0.3
813.35474	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	855.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77738	7.4
65.53378	6.9
67.94943	8.4
78.95901	11.7
95.70708	9.4
104.48742	8.2
116.92882	15.3
132.89955	14.5
146.73665	8.6
163.25168	9.6
204.13376	7.8
207.10234	33.6
224.25175	8.1
277.21725	100.0
479.11459	8.5
721.41821	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
109.06605	15.9
109.79871	10.1
143.73242	9.3
205.94542	11.4
207.10211	76.6
225.11301	19.8
259.89044	10.7
277.21600	100.0
293.17169	11.5
721.41675	55.1
722.42352	15.7
773.48212	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	855.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.6
67.20466	0.1
69.03473	0.1
71.01373	3.7
73.02912	1.3
83.01396	0.8
85.02940	6.8
87.00861	1.7
89.02448	0.7
93.03436	4.4
95.01370	0.1
96.96026	0.2
99.00877	0.7
99.04541	0.2
101.02425	3.3
109.02956	0.8
111.04460	1.0
113.02434	2.1
113.91688	0.1
117.03435	0.2
119.03507	0.2
119.05015	1.9
121.02976	0.2
125.02421	0.5
127.03995	1.7
129.01968	0.1
135.04520	0.1
143.03557	0.2
145.02927	0.7
155.03526	0.2
159.02985	0.2
161.02452	0.1
161.04536	0.9
163.03957	1.4
171.03038	0.2
173.04506	2.3
177.63158	0.1
179.03363	0.2
180.84671	0.1
191.05605	100.0
192.05957	1.0
227.07140	0.2
255.10298	0.2
269.10263	0.9
337.09302	18.1
338.09900	0.2
364.19821	0.1
401.91202	0.1
411.29388	0.1
431.15582	1.5
456.70325	0.1
472.06473	0.1
473.16629	8.6
474.16882	0.2
484.37283	0.2
517.13721	0.7
714.68835	0.1
811.92859	0.2
855.23743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02404	0.8
65.00339	0.7
67.01899	0.1
71.01385	2.1
73.03001	0.1
75.00864	0.6
83.01408	0.6
85.02938	3.0
87.00860	0.8
89.02432	0.6
92.22531	0.2
95.01389	0.7
99.00869	1.5
103.00349	0.2
105.03452	0.3
107.01371	1.8
109.02936	0.6
111.00903	0.2
113.02447	1.9
115.00348	0.3
116.19878	0.2
117.01906	0.2
121.02904	0.6
122.34383	0.1
125.02431	0.3
133.02925	5.5
135.04506	1.0
143.04967	0.2
149.02429	1.7
151.00345	5.2
151.03993	0.2
155.04965	0.2
171.04434	0.2
175.02498	0.4
175.03955	2.6
177.01842	0.2
180.51317	0.2
181.76176	0.1
185.06027	0.6
189.67975	0.1
191.05588	0.9
197.06123	0.2
198.03244	0.2
199.03963	2.8
201.01947	0.7
211.03973	0.2
213.05618	0.8
215.03532	0.3
217.05070	1.5
229.05042	0.2
239.03444	0.2
240.04227	0.2
241.05028	1.2
243.02823	0.3
257.04526	0.8
267.02969	0.3
284.03265	0.8
285.04028	100.0
286.04330	2.3
287.05710	0.2
297.03915	0.3
325.03690	0.2
327.05063	0.8
339.08582	0.2
357.06143	0.8
417.95578	0.2
461.07257	28.2
462.07675	1.1
463.08804	0.2
526.25220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	0.5
67.01882	2.3
69.03453	0.4
70.53239	0.2
71.01374	3.2
81.03466	0.6
83.05039	1.0
85.02950	10.2
87.00866	5.1
89.02445	0.3
92.10061	0.4
93.03446	19.3
96.02241	0.3
102.57847	0.2
108.02165	4.4
109.02945	10.4
111.04517	4.2
113.02445	0.5
115.00386	2.7
119.05006	1.6
121.02930	0.3
122.03696	1.9
123.04493	0.5
125.02411	0.3
127.03999	3.9
129.01952	0.3
131.05055	0.3
133.02962	0.4
134.03784	0.3
135.03510	0.5
135.04501	10.4
136.04875	0.4
137.02400	0.5
140.93869	0.2
145.02943	0.3
145.06577	0.4
147.04454	0.3
149.06059	0.5
155.03470	1.2
159.04460	0.4
161.02422	0.4
161.06042	0.5
163.03990	1.0
171.02972	0.5
173.04523	12.4
179.03487	5.9
191.05602	100.0
192.05919	5.3
193.06046	1.8
213.09140	0.3
225.05580	0.3
226.06364	5.5
227.07106	7.1
239.07085	1.1
253.08789	1.8
255.10254	34.7
256.10651	0.5
260.06793	0.2
266.05780	0.3
268.98059	0.2
281.08191	0.4
283.06213	1.1
289.05457	0.5
299.09201	0.3
337.09363	0.5
343.08200	8.0
346.80008	0.3
353.08817	0.6
354.09116	0.4
473.14627	0.6
499.10931	0.3
517.13495	45.1
518.14020	1.5
855.22559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	0.7
67.01892	3.7
69.03481	0.4
70.07464	0.3
71.01373	2.8
81.03463	0.7
83.05045	0.6
85.02950	8.0
87.00867	7.1
92.10074	0.5
93.03445	28.4
99.04515	0.4
101.02425	0.4
102.96844	0.3
108.02145	2.3
109.02943	9.2
110.70625	0.2
111.04514	5.3
115.00364	1.5
119.05003	4.2
122.03706	1.6
127.03982	2.9
129.01918	1.5
133.02881	0.4
133.06656	0.4
134.03687	0.6
135.04503	27.7
136.04869	0.4
136.60329	0.3
137.02408	0.7
137.38925	0.3
143.03539	0.3
145.06564	0.3
154.02733	0.4
155.03485	1.8
161.02422	1.4
161.06055	0.5
163.04012	2.6
171.02960	0.4
173.04532	13.6
179.03482	15.8
191.05603	100.0
192.05992	2.2
226.06372	3.0
227.07141	3.6
237.09235	1.5
239.07120	1.7
253.08755	1.4
255.10246	22.2
281.08249	0.6
337.09216	2.8
343.08246	6.0
353.08597	0.4
451.00812	0.3
473.14517	4.5
517.13501	48.0
518.13940	1.4
855.23877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03153	0.5
67.01902	0.5
71.01373	9.1
73.02954	2.5
73.86301	0.5
75.00848	0.5
81.03442	9.0
83.01379	5.1
84.41840	0.6
85.02937	6.4
87.00885	1.3
89.02453	0.7
93.03439	13.5
95.01381	0.8
96.95998	1.2
99.00859	1.0
101.02423	6.7
104.79510	0.7
109.02960	1.2
111.04520	0.7
113.02453	3.7
114.37431	0.6
119.05018	8.9
123.04512	31.2
125.02446	15.6
132.61899	0.5
135.04500	2.3
137.02444	1.3
149.02425	1.2
151.00342	3.4
161.04553	3.1
167.03485	88.2
169.06599	0.6
173.04514	2.3
175.23988	0.5
179.03513	9.5
189.05649	1.2
191.05615	12.8
229.08717	0.7
273.07684	100.0
274.07886	1.1
298.04938	0.9
300.80490	0.7
315.08685	0.7
331.17731	6.3
334.05508	0.6
341.06479	0.9
373.18472	4.5
435.13007	19.6
435.22565	2.1
467.15717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	1.2
70.99828	0.7
71.01366	0.6
72.08932	0.8
81.03505	0.7
83.05063	0.8
85.02955	9.0
87.00892	4.4
92.10867	1.4
93.03444	11.8
96.96040	1.5
99.04520	0.8
109.02938	10.3
111.04543	1.7
114.56202	0.7
119.04983	0.8
125.02460	1.7
127.03950	2.8
133.02939	1.5
135.04520	4.6
145.02953	2.7
159.04561	1.1
161.02428	6.1
173.04544	8.1
177.01929	0.9
179.03406	3.0
187.04010	3.6
191.05605	100.0
192.06012	3.2
195.49596	0.7
225.05467	0.9
237.05553	3.3
238.06300	0.9
253.08598	3.4
279.06558	3.6
281.04504	3.0
297.07593	1.0
307.06067	3.4
323.05472	1.6
353.08646	3.0
389.10297	1.4
447.13513	0.8
499.12637	1.4
515.12903	2.7
677.10150	0.8
853.21661	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	853.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.6
65.00314	5.1
65.00649	0.2
82.30315	0.1
83.01379	3.2
93.03460	0.6
106.42815	0.1
107.01379	14.5
108.99306	0.2
109.02917	1.2
115.23703	0.1
120.66117	0.2
125.02426	3.4
133.02895	0.2
134.03741	0.7
135.04504	61.5
136.01645	0.3
136.04826	0.6
137.02498	0.1
143.40456	0.2
151.00354	100.0
152.00713	0.9
159.04480	0.3
161.02408	1.0
161.31708	0.1
164.01166	0.7
165.01935	0.2
169.01395	1.4
173.04550	0.2
177.01901	0.9
191.05621	0.8
201.05534	0.2
223.13373	0.3
225.05759	0.2
269.04523	0.9
286.04831	0.2
287.05603	44.9
288.05991	0.8
297.09808	0.7
449.10861	45.2
450.11301	0.8
636.14166	0.2
786.91077	0.2
862.31201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99312	0.4
67.01905	1.5
69.03461	0.4
71.01371	3.0
71.98528	0.3
73.02960	0.4
76.45138	0.3
81.03464	0.6
83.05047	0.7
85.02948	14.7
87.00887	4.5
89.02436	0.3
93.03449	15.8
99.00904	0.4
99.04493	0.3
101.02419	0.5
101.50340	0.4
109.02945	14.2
111.04514	3.0
112.73633	0.3
113.02443	0.5
115.00377	2.1
119.05000	1.6
123.04578	0.4
127.04008	2.6
135.04503	1.5
137.02446	0.4
145.02957	2.9
147.04561	0.4
151.04033	0.6
155.03505	1.2
159.03419	0.3
159.04480	3.0
161.02403	2.9
161.06073	0.4
163.03938	0.4
171.03004	0.7
173.04521	6.9
173.05920	0.5
175.04015	0.6
183.26244	0.3
187.03922	1.5
191.05600	100.0
192.05928	1.3
199.99184	0.4
215.18864	0.3
225.05551	0.7
237.05530	5.7
238.06329	0.7
239.03563	0.7
239.07088	0.5
241.04961	0.5
253.05020	1.9
253.08623	2.6
255.10263	0.5
261.05417	0.4
265.08691	5.5
277.05255	0.3
279.06494	1.5
281.04495	2.0
281.08206	0.7
281.11850	1.6
282.05188	0.4
293.04694	0.4
295.06036	0.5
297.07666	0.8
307.06079	0.7
323.05548	0.8
341.06525	0.5
347.09262	2.2
353.08774	0.5
375.12424	0.5
389.10297	6.4
401.09863	0.6
401.51602	0.4
417.13370	2.0
469.09167	0.5
505.11359	1.7
515.12085	0.6
563.14008	0.8
661.15387	0.5
679.16882	0.8
808.15808	0.4
853.21899	18.2
853.38611	0.6
854.22272	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	853.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96100	0.4
66.37026	0.4
68.37582	0.4
71.01373	0.5
85.02944	5.4
87.00820	1.6
88.85381	0.5
93.03432	6.0
109.02894	1.8
111.00904	0.5
111.04509	0.9
127.04019	2.5
133.02930	6.4
135.04517	3.5
139.00345	1.2
149.06062	3.9
159.04512	0.6
161.02406	4.2
162.60356	0.5
165.01877	1.2
173.04544	2.9
175.03952	0.9
177.01945	2.6
178.08916	0.5
187.03963	0.6
191.05602	100.0
192.06001	1.7
215.05582	1.1
219.03079	0.8
231.02983	0.6
231.06633	1.0
237.04077	1.2
257.04620	0.9
259.02496	4.2
273.14886	0.5
274.05029	0.6
294.28235	0.6
316.98749	0.5
337.05820	0.7
351.07306	2.7
351.96320	0.5
352.07428	1.0
353.08716	11.5
481.09808	15.8
644.80646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.5
71.01366	1.3
73.02931	1.0
81.03450	0.2
82.78529	0.1
83.01377	2.0
83.05040	0.3
85.02934	6.9
87.00863	2.1
92.10834	0.3
93.03442	3.6
96.81698	0.1
99.00854	0.8
99.04516	0.3
101.02421	0.2
109.02938	1.6
111.04501	1.5
113.02444	0.3
115.00356	0.8
115.01211	0.1
120.17113	0.1
127.00343	3.5
127.03989	1.9
129.01906	0.2
133.02959	1.7
134.03319	0.1
135.04506	2.7
137.02443	0.2
146.22070	0.1
147.04553	0.1
149.06082	1.2
159.04459	0.1
161.02420	3.9
166.63896	0.1
171.03041	0.6
173.04524	3.4
175.02461	1.1
175.03973	0.7
177.01912	0.7
179.03490	1.9
187.03996	0.2
189.00397	2.8
191.05606	100.0
192.05997	1.1
193.05035	0.2
219.03014	0.2
233.04634	0.5
237.04001	0.8
252.09085	0.1
253.08902	0.2
277.03592	0.5
279.06702	0.2
337.05673	1.5
351.07440	0.2
352.07523	0.2
353.08777	12.2
354.09283	0.2
389.10275	0.5
395.70215	0.1
419.90964	0.1
499.10910	4.2
500.10965	0.2
542.99884	0.1
833.97034	0.1
853.22614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
87.06481	0.5
92.10062	1.2
97.83900	0.5
98.12055	0.5
110.69518	0.5
160.70009	0.5
162.39731	0.5
193.11482	0.5
406.99460	0.6
764.98840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.3
64.33387	0.2
65.00326	1.0
67.01913	0.2
71.01394	0.4
74.97520	0.2
75.20211	0.2
83.01401	0.3
85.02926	0.5
87.00889	0.2
89.66736	0.2
93.03469	1.1
101.02404	0.3
107.01380	2.7
108.02144	2.0
109.02937	1.9
121.02940	1.5
125.02422	0.4
135.00861	0.8
135.04575	0.2
148.01672	1.5
149.02422	0.2
151.00351	8.9
151.03967	0.3
152.01067	0.2
153.01910	0.2
163.00343	2.5
164.01178	0.4
169.01410	0.5
177.01889	1.4
178.99843	4.2
183.04517	0.3
187.04034	0.4
191.05623	5.8
199.04047	0.4
201.05640	0.3
203.03610	0.4
211.04004	1.0
215.03511	0.4
216.04323	0.3
219.02899	0.2
226.02734	1.1
227.03506	2.4
229.05069	0.4
243.02977	11.0
244.03693	0.4
245.04541	2.5
254.02307	1.6
255.02980	25.8
271.02475	51.1
272.03009	2.7
273.03958	0.9
283.02396	0.5
287.05594	1.3
299.01999	1.4
300.02753	100.0
301.03500	25.0
302.03629	0.5
347.16949	0.5
389.18115	0.3
427.18130	0.2
463.08820	2.0
505.09897	67.3
506.10223	1.1
648.33862	0.3
661.21338	0.3
853.21771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.7
66.16460	1.0
67.67288	1.0
68.99004	1.1
69.03465	2.0
71.01367	73.3
72.99326	1.4
73.02939	2.6
80.02647	1.4
80.81477	1.1
81.03451	4.5
83.04993	8.6
84.02122	1.3
85.02930	12.1
87.00857	7.9
89.02425	18.1
90.99606	1.1
92.63902	1.2
93.03457	9.2
95.05022	1.6
96.95993	6.8
97.02951	4.6
99.00866	1.4
101.02418	11.4
107.05073	1.3
109.02949	1.9
109.06588	12.6
110.03770	1.4
111.04513	1.8
113.02436	7.0
119.03500	2.3
124.01620	1.2
125.02423	7.4
125.09718	1.3
127.11246	1.5
135.04517	12.2
135.08110	4.2
143.03467	1.5
151.03929	2.1
153.75803	1.3
161.02374	1.4
161.04666	1.3
163.11287	14.6
165.12823	1.6
171.10234	18.8
173.04425	1.8
179.03474	2.6
179.05544	2.4
181.12340	6.2
185.11942	1.4
189.01855	1.8
191.05598	22.7
191.10722	1.6
197.11874	1.3
201.11328	11.7
207.10246	31.5
209.11816	100.0
217.01431	2.5
221.06625	1.9
225.11333	27.9
227.12880	8.8
235.08270	1.5
243.12309	1.8
341.06815	2.5
379.12561	2.0
397.13467	19.7
415.14453	10.6
417.22592	2.3
623.25543	2.7
833.38593	6.3
851.38196	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	851.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
68.47275	0.5
69.30460	0.4
70.41012	0.4
71.01372	0.9
73.02918	0.7
78.27608	0.4
83.01383	0.6
85.02951	0.8
93.03460	2.4
95.01433	0.4
97.02942	0.5
101.02430	1.7
107.01394	0.7
109.02934	2.7
113.02463	0.7
119.04994	0.7
120.99663	0.9
121.02927	2.5
125.02430	2.1
133.02943	13.7
135.04500	2.6
137.02361	1.0
147.04489	1.8
149.02400	1.7
161.02426	2.3
163.00343	2.7
163.03995	3.9
165.01884	2.5
173.02336	0.8
175.03966	3.3
177.01859	1.6
185.11797	1.8
189.01811	0.5
191.03525	1.9
191.05585	10.4
192.06007	0.5
193.01350	2.5
199.03952	2.5
201.01868	0.9
203.03340	0.8
205.01480	0.7
209.05934	0.5
211.03961	0.5
213.05586	0.8
225.05516	1.0
227.03490	0.8
227.07098	0.7
229.01411	0.5
241.04994	0.9
243.02881	0.5
245.38522	0.5
253.04961	1.7
255.02879	0.6
255.06572	0.5
267.06570	0.6
269.04648	0.8
269.18152	0.5
271.02393	0.5
271.06223	0.6
281.04504	0.7
284.03214	12.7
285.04013	10.2
286.04434	0.6
297.04025	20.0
298.04791	13.8
299.05576	22.5
300.02689	0.7
300.05844	2.3
311.05554	3.4
324.02850	0.7
325.03409	0.6
327.05087	100.0
328.05438	8.0
329.05634	2.3
338.56577	0.4
339.05078	4.9
341.06625	0.7
342.03555	0.4
357.06161	22.5
358.06522	2.7
359.06644	0.8
369.06366	0.7
373.18680	0.5
381.06021	2.0
389.18170	0.5
417.08273	82.6
418.08762	4.6
419.08899	1.6
431.09814	2.7
432.10202	3.8
433.10025	2.3
629.84076	0.5
636.06683	0.5
695.29132	0.4
772.37097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
59.88206	1.1
60.99326	2.3
63.02060	0.9
67.01910	6.0
71.01377	1.8
76.56840	1.2
77.03979	1.1
83.05005	1.0
85.02925	8.0
87.00888	11.6
88.51525	1.1
89.03963	1.2
91.05544	1.1
93.03444	49.0
95.05011	1.5
96.96008	1.1
103.74570	1.1
105.03458	14.4
107.05033	7.1
109.02945	14.8
111.04521	9.6
111.05167	1.0
117.03495	1.5
123.04538	1.5
126.99117	1.3
133.02936	100.0
135.04512	31.0
139.00368	1.2
149.06094	2.7
150.03220	2.6
151.03966	2.1
155.03502	1.6
161.02452	4.9
173.04514	28.5
177.01927	25.5
179.03477	9.3
191.05603	61.5
200.50116	1.1
211.45148	1.2
215.05623	37.0
219.03017	1.2
259.02539	1.8
307.08163	4.7
351.07202	94.1
481.10049	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	851.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
60.99313	1.2
61.39976	0.3
65.00328	0.3
67.01888	4.0
69.03443	0.5
71.01370	1.4
73.02912	0.3
75.72672	0.3
77.03979	0.8
79.56912	0.3
81.03466	0.7
83.05015	0.6
85.02953	2.7
87.00865	7.8
89.03988	0.6
93.00828	0.3
93.03445	26.6
95.05013	4.1
96.02171	0.3
99.00886	0.7
105.03455	15.1
107.05027	1.8
109.02956	6.0
111.04520	5.9
121.02958	0.6
123.04495	3.4
127.03986	0.3
128.04211	0.3
129.01903	0.5
129.11713	0.3
132.02129	0.5
133.02939	100.0
134.03252	0.7
135.04501	12.0
137.02434	0.6
139.03958	0.3
149.02417	1.3
150.03230	1.9
151.04004	1.4
155.03473	1.6
161.02431	1.9
173.04535	17.8
175.02431	0.4
177.00307	0.5
177.01906	26.4
179.03479	4.0
191.05600	28.2
204.85983	0.4
207.70979	0.4
215.03522	0.5
215.05617	16.1
229.01453	0.4
233.04370	0.4
307.08142	1.7
337.05600	0.4
351.07208	52.8
352.07434	0.6
353.08685	0.5
478.81870	0.4
499.11002	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	851.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.4
65.00327	0.3
67.01881	1.1
67.74425	0.2
71.01375	1.0
73.02927	0.4
81.03432	0.3
83.01379	0.3
83.04998	0.3
84.83227	0.2
85.02937	8.6
87.00868	2.2
92.10868	0.4
93.03441	6.5
99.04452	0.3
107.01374	1.4
109.02956	1.0
111.04501	1.9
113.44920	0.2
117.03462	1.0
121.02933	0.5
125.02457	0.3
125.97923	0.2
127.03995	2.2
129.96764	0.2
133.02910	1.8
133.93738	0.2
134.03310	0.3
135.04497	4.3
137.02408	0.3
149.02426	0.9
151.00342	6.9
155.03493	0.2
159.04544	0.4
161.02431	0.8
163.03938	0.3
163.12920	0.2
165.01826	0.3
171.03017	0.4
172.05273	2.1
173.04536	2.7
173.05913	0.3
175.04031	0.7
176.04268	0.3
177.01933	0.3
183.04425	0.7
187.05928	0.5
187.07629	15.5
191.05602	100.0
192.05954	1.6
199.04036	2.1
200.04584	0.3
202.06332	0.3
211.07574	0.2
213.09196	1.7
215.07082	2.7
217.05153	0.2
227.03545	2.9
228.04327	2.2
229.08659	1.0
231.10199	0.8
257.08185	9.1
268.03821	0.9
269.04514	1.0
275.09235	0.5
281.04504	0.8
282.05276	0.4
283.06091	6.3
284.06378	0.3
285.04028	16.4
286.04382	10.5
287.04871	6.6
293.04474	0.2
295.06082	0.3
311.05618	7.9
312.05988	1.2
313.06006	0.3
323.05716	1.2
341.06662	2.2
343.07288	0.3
347.05023	0.2
401.08734	8.3
402.09265	0.9
403.09360	0.4
447.09308	1.3
448.09760	1.2
449.14795	21.4
450.14648	0.3
514.86163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.3
70.82949	2.5
71.01368	7.3
85.52194	2.6
89.02438	7.2
97.06601	4.2
101.02441	16.8
151.11269	15.8
169.12349	63.9
210.33357	3.3
213.11470	10.1
242.26154	2.8
255.23271	62.9
268.92172	3.1
321.27814	3.1
429.03992	3.0
849.48401	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	849.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.3
71.01391	2.3
80.96513	3.4
88.51330	1.7
104.58648	1.6
113.02410	2.0
140.10077	2.2
174.96828	1.7
195.13905	8.1
223.13412	10.2
235.08333	2.0
241.41631	1.6
251.02444	1.7
253.09241	14.4
275.20117	13.8
277.21695	100.0
278.63242	1.9
293.21246	91.4
399.93362	2.2
849.49463	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	849.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.6
61.22973	0.3
66.05540	0.2
68.00917	0.3
71.01363	3.9
73.02944	1.6
80.06969	0.3
81.03444	0.3
82.89564	0.3
83.01389	1.9
85.02934	3.9
85.49792	0.3
88.19899	0.3
89.02417	2.4
92.06324	0.3
93.03447	1.6
95.01380	0.6
97.02946	0.4
99.00851	0.4
100.72623	0.3
101.02435	5.4
105.03407	0.4
107.01371	0.4
109.02917	2.1
113.02444	1.9
119.03469	0.6
119.05006	1.5
121.02936	1.9
123.04549	0.5
123.08126	0.5
125.02400	3.2
133.02921	12.3
135.00836	0.3
135.04510	2.0
147.04488	1.7
149.02431	1.9
150.03229	0.4
151.03986	1.6
159.04561	0.4
161.02400	2.5
163.00354	1.6
163.04008	3.6
164.01224	0.5
165.01926	2.7
171.04312	0.3
173.02402	0.5
173.04588	0.3
175.04008	3.7
177.01920	1.2
177.12828	1.7
179.03453	0.5
191.03516	2.8
191.05583	9.1
193.01393	1.9
195.13800	0.4
199.03998	1.2
201.01900	1.6
205.01465	0.4
211.03993	0.5
212.04857	0.4
213.05511	1.2
214.02644	0.3
215.03464	1.0
217.05011	0.5
221.11826	1.5
225.05498	0.5
227.03467	0.4
229.01208	0.4
229.05148	0.4
231.06755	0.4
237.05597	0.5
240.04344	0.6
241.05011	0.6
243.06670	0.4
252.61934	0.3
253.05081	0.7
255.03050	0.7
255.06512	0.6
256.03729	0.4
267.06537	0.6
269.04575	1.4
271.06189	1.5
281.04514	1.2
284.03244	11.4
285.04025	9.3
289.07199	0.4
297.04001	17.2
298.04773	10.6
299.05597	22.9
300.05722	0.3
309.03922	1.2
311.05508	3.7
324.02731	1.1
325.03506	0.7
327.05087	100.0
328.05411	2.2
339.05103	4.1
341.06616	0.5
357.06137	22.7
369.06085	2.4
371.04587	0.3
393.06146	0.6
401.18109	30.6
402.18362	0.5
447.09308	70.6
448.09711	1.9
459.47668	0.3
502.70630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23615	2.2
62.88504	2.2
64.10120	2.4
71.01384	11.4
74.84874	2.5
75.38737	2.2
78.95895	2.2
78.98583	10.7
79.95733	14.2
80.96503	97.8
80.96980	3.6
85.02901	3.4
87.00874	2.9
94.98070	19.6
101.02423	2.9
106.98061	4.2
116.92854	5.0
122.97594	3.3
125.02446	2.4
134.97549	10.7
147.14349	2.4
148.99072	11.2
152.98589	5.8
164.98572	13.6
173.59521	2.5
187.48010	2.6
206.99678	3.0
225.00755	29.9
241.01314	3.1
255.23175	4.9
262.42181	2.4
307.82806	2.6
501.18311	2.7
847.49011	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	849.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.1
59.46786	0.1
59.72826	0.1
63.02383	0.1
65.00324	0.4
77.03943	0.1
79.01917	0.1
83.01402	0.4
85.02935	0.1
85.82344	0.1
93.03453	0.1
107.01381	1.4
114.52229	0.1
117.03453	1.3
121.02945	0.4
132.02232	0.1
133.02928	6.9
135.04526	0.2
149.02409	1.7
151.00356	4.5
159.04510	0.4
161.02420	0.5
163.04033	0.4
171.04483	0.2
175.03972	2.6
185.05960	0.1
191.03833	0.2
191.05585	1.2
197.06122	0.4
198.03215	0.4
199.03999	2.1
201.01874	0.7
201.24069	0.1
213.02298	0.1
213.05547	0.6
215.03505	0.2
217.05040	1.5
223.03934	0.4
225.05649	0.1
229.05070	0.1
236.81985	0.1
239.07251	0.1
241.05043	0.9
243.02933	0.7
255.03111	0.1
257.04514	0.4
267.02966	0.2
268.03812	0.4
269.04504	0.8
271.02493	0.2
281.04535	1.0
282.05191	0.8
283.02988	0.2
283.06100	4.3
284.03268	0.4
285.04031	100.0
286.04440	1.3
293.04453	0.1
295.06049	0.5
300.02814	0.2
311.05612	6.1
312.05579	0.1
323.05701	0.8
341.06674	2.4
401.08780	5.0
447.09320	13.2
878.81177	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
73.02937	0.8
73.30637	0.1
92.63863	0.1
99.00875	0.2
99.92568	7.3
114.93385	0.7
116.92842	100.0
116.97148	1.3
117.01903	1.0
117.92844	1.1
244.52232	0.1
269.48343	0.1
322.97192	0.1
754.36206	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75596	0.7
65.75726	0.7
73.24034	0.6
73.24451	0.8
92.10105	1.9
99.92577	9.7
103.33517	0.8
116.92847	100.0
117.92859	16.3
118.92593	6.9
118.93372	1.7
161.82613	0.7
166.95000	0.8
200.85196	0.8
292.97415	0.8
293.21283	1.6
379.79111	0.9
498.18240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98862	67.8
68.62185	79.6
69.70029	87.2
100.95365	85.5
108.82831	90.4
188.82979	79.3
229.91754	78.7
320.15289	91.0
321.19177	100.0
519.12354	92.1
763.25494	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79850	70.6
63.63800	90.5
91.75468	65.0
92.10915	74.1
108.77548	68.4
189.88319	73.0
213.81815	83.1
305.02908	100.0
325.21338	81.2
373.53470	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24937	24.8
80.93285	20.2
116.92831	100.0
117.23737	24.1
562.63043	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	839.471
Annotation	Unknow
Peak:m/z	Relative Intensity
116.92841	100.0
124.14999	76.2
158.63170	71.3
193.16570	74.4
355.93625	73.6
378.41992	76.0
566.19293	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38747	4.5
72.08283	3.5
78.95906	4.8
86.82136	3.9
109.57897	4.2
116.92829	100.0
164.59410	4.7
168.50455	4.0
188.80045	3.8
241.06760	4.4
266.57651	5.0
291.19797	14.3
293.21216	9.4
353.97168	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	841.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.1
69.72269	0.1
73.02940	0.8
73.97443	0.1
93.05833	0.1
99.00836	0.2
99.92574	7.6
114.93410	0.9
116.92851	100.0
116.97226	1.7
117.01960	1.2
117.92871	1.3
126.21930	0.1
127.68320	0.1
182.26524	0.1
273.30441	0.1
302.62961	0.1
658.19867	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41817	0.1
73.02942	0.4
78.95870	0.1
92.10069	0.2
99.91905	0.2
99.92570	7.3
114.93393	0.8
116.92844	100.0
116.97232	0.7
117.01935	0.7
117.92854	1.1
118.81519	0.1
166.89247	0.1
234.26282	0.1
279.42484	0.1
447.39752	0.1
539.63129	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	1.6
60.33624	0.2
61.01803	0.3
67.01873	0.3
69.03446	0.2
71.01379	10.0
72.01733	0.3
73.02938	4.2
73.03580	0.2
75.68458	0.1
83.01375	2.6
85.02944	6.4
86.49850	0.2
87.00864	1.2
89.02441	1.1
93.03438	3.0
95.01385	0.8
99.00873	1.5
101.02428	10.4
102.02746	0.3
104.93336	0.1
108.22440	0.1
109.02944	0.3
109.41335	0.1
111.00827	0.3
111.04514	0.6
113.02444	5.4
115.57777	0.1
119.03470	0.2
125.02398	0.2
129.01938	0.4
134.03693	0.3
135.04485	0.3
137.02405	0.8
143.03467	0.8
159.02953	1.4
161.04536	3.3
162.04956	0.2
164.43591	0.1
171.13885	0.7
173.04559	1.3
178.48132	0.2
191.05609	4.0
192.05963	0.2
210.32547	0.2
225.50740	0.2
308.92981	0.2
315.18130	2.7
331.17654	0.2
332.17920	0.3
333.19162	7.6
334.19568	0.2
373.18347	0.3
374.19104	0.2
375.20230	15.3
376.20593	1.0
377.20761	0.3
467.15570	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	839.352
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78535	0.1
67.80244	0.1
68.15692	0.1
73.02941	0.5
74.14503	0.1
85.24289	0.1
92.11320	0.1
99.00840	0.2
99.92570	7.4
114.93409	0.8
116.92846	100.0
117.01907	0.8
117.92840	1.2
120.11486	0.1
192.03502	0.1
198.41493	0.1
199.84647	0.1
280.29599	0.1
425.47684	0.1
813.12103	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64753	0.4
59.01364	2.2
60.49502	0.4
63.57879	0.4
67.01879	1.2
67.64664	0.4
69.03445	0.6
71.01385	0.7
76.21367	0.4
85.02953	2.0
88.05169	0.5
89.02435	0.6
93.03460	5.3
95.01424	0.6
107.05022	0.6
109.02919	4.1
116.92887	0.6
119.01382	0.6
119.05046	0.8
121.02946	5.3
122.03726	9.6
123.00910	1.1
123.04501	0.7
123.46458	0.5
124.01643	0.6
133.02950	2.2
134.03685	2.1
135.04491	3.2
136.01627	8.4
137.02428	22.7
138.03169	1.1
146.03737	0.8
147.00812	0.6
147.04469	0.7
149.02429	26.2
149.06068	0.8
150.03220	78.6
151.00322	4.3
151.04010	17.3
152.01097	0.6
152.04767	1.0
153.01944	2.4
159.04549	0.6
161.02408	1.1
161.52768	0.5
162.03235	0.7
163.03955	1.0
164.01183	1.5
164.04758	8.3
165.01909	100.0
165.05548	61.5
166.02679	13.9
167.03432	2.6
173.04524	0.7
175.03975	1.1
176.01151	0.6
177.01910	2.2
177.05527	1.3
178.02702	1.1
179.01892	0.8
179.03493	26.9
179.07054	6.2
180.04274	62.6
181.05058	23.3
187.04022	0.7
190.06364	0.6
191.03732	0.5
191.05617	15.5
192.04224	1.0
193.04912	0.8
194.05873	4.9
195.02924	2.9
195.06619	71.4
205.05072	5.3
207.06592	1.1
209.08194	3.0
210.05342	8.7
220.07387	3.0
225.05437	0.9
225.07675	24.7
273.41492	0.5
371.11243	0.8
387.10367	1.0
387.14487	3.2
403.13843	2.3
416.14893	0.6
417.15549	9.0
564.20978	0.8
565.20850	11.4
594.20905	2.4
595.21967	12.1
601.13696	0.6
613.22821	3.8
625.22382	0.8
643.24164	2.6
681.58289	0.7
711.51105	0.7
743.26910	7.1
755.27173	0.7
773.27802	2.0
791.28723	1.2
839.30566	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	839.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.5
67.01889	1.5
71.01370	2.2
73.02933	1.2
85.02961	5.2
87.00849	1.5
89.20340	1.3
89.23379	1.1
92.10905	2.3
93.03423	10.4
109.02945	4.4
119.17818	1.0
119.19916	1.0
121.02948	2.1
122.03724	11.0
123.00887	1.2
131.39078	1.3
133.02890	2.3
133.49124	1.2
134.03761	1.3
135.04521	14.2
136.01628	6.2
137.02428	17.2
139.04008	1.1
149.02415	18.4
150.03204	83.8
151.00354	5.5
151.04025	9.2
161.02379	2.6
164.01112	1.7
164.04713	1.4
165.01907	100.0
165.05542	71.3
166.02696	12.8
171.10216	1.7
177.01945	2.1
179.03474	21.4
180.04268	64.1
181.05060	19.8
191.03754	1.7
191.05609	44.8
192.06000	1.2
194.05876	2.5
195.02979	2.0
195.06618	90.1
196.06964	1.1
205.05035	1.3
209.08089	1.2
209.11786	5.8
210.05338	10.0
225.05496	1.4
225.07692	37.7
225.30649	1.3
278.70383	1.2
300.90619	1.1
352.08102	1.3
353.08698	1.6
387.14618	4.2
403.13760	4.4
417.15308	11.8
507.20471	1.2
543.33337	1.8
565.20856	8.4
595.21893	8.6
613.22626	2.6
643.23950	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	837.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52523	1.0
64.14666	1.0
71.01380	10.8
73.02953	1.6
78.98594	7.6
79.95720	13.0
80.96503	100.0
85.02956	2.2
87.00863	4.0
94.98074	21.8
94.98624	1.4
101.02454	1.8
106.98086	4.6
110.24560	1.1
122.97572	5.3
125.02422	2.6
134.97554	7.0
136.99112	2.3
148.99106	9.9
152.98592	9.1
156.81657	1.1
164.98621	16.8
197.86050	1.1
206.99660	4.7
225.00746	26.4
277.21719	5.7
295.38904	1.3
357.17468	1.1
408.31387	1.0
559.25739	4.7
837.48297	77.0
838.48810	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	839.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.2
64.25046	0.3
66.42836	0.3
71.01362	1.3
77.03966	0.5
80.05588	0.4
85.02934	1.4
86.31102	0.3
87.00854	0.7
89.02473	0.6
93.03425	4.9
101.02430	0.4
105.03432	0.6
107.01373	0.6
109.02995	0.4
111.04562	0.4
117.03437	6.1
119.04996	1.6
121.02925	0.7
129.10667	0.3
133.02902	0.7
135.04507	2.8
137.02333	0.4
139.27953	0.3
147.04492	0.7
149.02426	1.7
151.00343	0.5
159.04482	1.8
161.02437	4.9
163.04015	3.4
165.01909	0.5
167.58759	0.3
171.06818	0.4
173.04518	1.4
175.04041	0.5
177.01971	0.4
179.03467	0.7
191.03722	1.2
191.05597	11.9
192.05998	0.6
211.07683	0.4
215.07222	0.4
225.05493	0.6
239.07138	1.6
255.06569	0.5
268.03806	3.1
269.04568	5.5
281.04474	6.4
282.05267	3.5
283.06097	42.4
284.06525	0.9
285.04037	4.0
293.04584	1.4
295.06073	2.8
309.04034	0.7
311.05609	67.6
312.06024	1.7
314.04349	0.7
323.05566	6.7
341.06635	21.5
342.07129	0.4
347.05850	0.6
365.06744	0.5
383.07407	0.8
401.08749	100.0
402.09293	2.1
447.09393	0.6
582.11621	0.4
795.36023	0.5
868.58215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
80.35161	0.5
86.73303	0.6
92.08157	0.7
99.92567	8.9
112.73622	0.6
116.92842	100.0
116.97250	1.4
117.92857	1.0
167.51939	0.7
172.15547	0.7
181.02071	0.7
189.05029	0.8
207.76495	0.7
260.50092	0.7
277.03094	0.7
354.63281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01698	0.9
61.97318	0.2
64.32569	0.2
71.01373	12.5
71.23665	0.2
72.01677	0.3
73.02929	5.7
73.97393	0.2
75.91479	0.2
78.77348	0.2
83.01369	2.8
83.48633	0.2
85.02940	8.1
86.03265	0.3
87.00863	0.5
89.02423	1.1
95.01360	1.1
99.00858	2.3
101.02427	13.2
102.25981	0.2
111.00852	0.3
113.01642	0.2
113.02441	6.7
125.02416	0.4
143.03462	0.5
159.02982	1.6
161.03279	0.3
161.04539	5.9
171.13858	0.3
182.74564	0.3
188.56882	0.2
191.05568	0.9
315.18155	2.2
327.05151	0.8
331.17587	6.1
332.17868	0.3
333.19183	4.9
355.77206	0.2
358.40094	0.2
373.13968	0.3
373.18640	8.4
374.18640	0.3
375.20203	11.1
376.20505	0.4
417.08252	0.8
417.17545	0.3
626.27252	0.3
815.40015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27455	0.1
61.98826	100.0
68.52004	0.2
71.42409	0.1
75.17251	0.2
120.47788	0.2
125.75009	0.2
164.52405	0.2
176.06882	0.2
189.77820	0.2
277.21616	0.7
278.22055	0.9
279.22153	0.5
396.86316	0.2
441.26584	0.2
451.33615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
63.81552	0.2
65.00340	0.3
71.35756	0.2
77.03964	1.0
79.01900	0.3
81.03435	0.3
83.01397	1.0
84.90938	0.2
85.02936	0.2
85.72027	0.2
93.03444	1.5
97.02936	0.4
103.98968	0.3
105.03452	0.3
106.04245	1.9
107.01394	0.5
107.05013	2.7
109.02948	2.4
111.04487	0.3
119.04986	1.2
121.02942	2.1
125.02445	1.4
133.02934	17.1
134.03314	1.4
135.03629	0.2
135.04501	2.2
137.02440	0.5
137.05069	0.3
145.02963	0.4
147.04533	1.7
148.01587	0.5
149.02376	2.1
151.00380	0.3
151.04015	0.5
161.02435	2.4
163.00316	2.7
163.03978	4.2
164.00737	0.3
165.01875	2.3
166.02213	0.3
173.02394	0.5
173.04488	0.4
173.05994	0.3
175.03963	4.7
176.04269	0.3
177.01881	1.2
179.03506	0.4
189.01920	0.4
191.03691	2.3
191.05400	2.4
193.01408	2.5
196.05264	0.3
198.03183	0.3
199.03935	1.7
201.01834	1.9
201.05484	0.3
203.03549	1.0
209.06129	0.4
211.04099	0.3
212.04659	0.4
213.05719	1.8
213.09193	7.8
214.05907	0.3
215.03429	0.3
217.05008	0.5
225.05550	1.2
226.02789	0.3
227.03471	1.1
227.07123	0.6
229.01407	0.5
229.04884	0.4
231.06602	1.0
240.04205	1.3
241.05005	1.4
243.02917	0.3
245.04533	0.3
253.04970	1.3
254.05582	0.5
255.03014	0.5
255.06548	1.3
256.03723	0.4
257.04395	0.3
257.05444	0.3
257.08221	5.3
259.06064	0.3
269.04626	1.3
270.05072	0.4
271.06030	0.4
281.04431	0.3
283.05832	0.5
284.03238	12.7
285.03955	11.3
286.04251	2.5
297.04034	19.8
298.04733	16.5
299.05566	24.6
300.05890	4.9
301.06271	2.1
309.03946	1.1
311.05640	3.8
312.05942	0.4
324.02768	1.3
325.03482	0.9
327.05099	100.0
328.05438	17.5
329.05646	9.2
339.05096	4.2
340.05511	0.5
341.06406	1.4
353.06430	0.4
357.06165	23.3
358.06534	4.0
359.06711	2.0
363.04922	0.4
369.06137	1.5
381.06219	2.4
417.08276	86.0
418.08578	16.1
419.08740	11.6
419.13611	2.2
483.88416	0.3
551.76660	0.3
625.57880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	24.2
67.33700	0.9
68.42085	0.8
70.88049	0.8
71.01368	15.7
72.02529	0.9
72.99296	0.8
73.02970	3.0
80.02676	1.2
81.03447	1.1
81.63583	0.9
83.01401	1.9
83.05032	7.4
85.02950	5.9
87.00868	2.0
89.02418	15.0
93.03438	1.2
93.48210	0.8
96.96004	9.5
97.02945	1.7
101.02426	12.9
107.55284	0.8
109.06537	0.8
111.04494	1.1
111.08167	0.9
113.02432	3.9
119.03484	4.6
125.02441	3.3
135.04495	1.3
161.04536	1.1
163.11240	6.1
165.12827	10.3
181.12355	1.7
183.13885	51.0
189.02025	1.0
191.05598	11.0
209.11824	100.0
221.06700	1.9
227.12851	10.9
285.04047	1.3
347.05615	0.9
397.13498	5.5
460.22314	1.0
595.68384	0.9
817.39380	1.5
835.39594	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	0.2
62.94421	0.1
69.03454	0.2
71.01379	19.7
72.99317	0.3
73.02528	0.2
73.02941	6.2
75.00869	0.6
78.61691	0.1
83.01385	3.1
85.02950	11.2
87.00867	0.8
89.02446	2.6
93.03448	0.2
95.01390	1.3
97.02926	0.6
99.00870	2.8
100.48318	0.1
101.02429	13.8
108.41074	0.1
113.02438	9.8
119.03445	0.5
125.02418	0.3
129.01910	0.2
135.04504	0.2
143.03487	0.9
145.42059	0.1
150.44797	0.1
153.01895	0.2
159.02968	1.8
161.04539	8.3
177.01788	0.1
191.05579	1.9
203.05586	0.2
273.04996	0.1
323.17758	0.1
327.04974	0.2
331.17621	12.0
357.37387	0.1
373.18652	10.2
375.16891	0.1
417.08157	0.5
417.17542	0.6
417.24982	1.7
571.81421	0.1
772.33545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	0.2
58.33769	0.2
58.85207	0.2
58.92868	0.2
59.01372	11.2
60.23616	0.2
62.61457	0.2
65.34805	0.2
68.34669	0.2
69.03441	0.3
71.01369	7.8
71.05001	0.2
73.02946	1.3
75.17368	0.2
80.02662	2.0
80.04668	0.2
81.03455	2.1
83.01377	1.1
83.05015	5.7
83.25344	0.2
84.02167	1.6
85.02938	2.5
87.00862	1.5
89.02426	7.6
93.03449	0.5
95.01363	0.5
95.05002	1.3
97.02955	1.6
97.06574	0.3
99.00851	0.2
101.01801	0.2
101.02422	6.5
101.03038	0.4
109.02879	0.2
109.06570	0.4
111.04512	0.4
113.02434	2.7
119.03451	2.3
125.02419	2.5
125.06053	0.3
125.09721	0.2
135.08128	1.0
143.03482	1.1
161.04523	1.1
163.11282	6.0
165.12840	3.4
167.03435	0.3
171.10268	0.3
179.05583	1.8
181.12332	0.5
191.05580	1.5
191.10732	1.4
191.12434	0.3
209.11819	100.0
210.12151	1.2
217.07207	0.2
221.06703	1.0
227.12857	11.8
235.08263	1.8
247.13380	0.4
287.07654	0.5
305.08835	0.4
323.09818	0.3
361.11285	0.3
379.12500	1.9
397.13489	17.7
415.14597	4.8
579.88300	0.2
607.26318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
60.99326	0.8
62.00708	0.2
67.01895	2.4
68.29317	0.2
69.03472	0.4
71.01377	2.2
73.02937	0.2
81.03455	0.5
83.01408	0.4
83.05030	0.3
85.02950	7.9
87.00870	5.2
90.30343	0.2
92.10105	0.5
93.03446	17.1
95.01362	0.2
98.74530	0.2
99.00876	0.3
99.04505	0.3
101.02458	0.5
109.02932	2.2
111.04512	4.6
113.02451	1.0
121.02973	0.3
123.04535	0.9
125.02435	4.5
127.03973	2.6
129.01932	0.2
133.02959	0.9
134.03772	0.3
135.04527	0.4
137.02437	1.3
146.03706	0.4
147.02928	0.2
147.04482	0.4
149.02394	0.3
151.00362	0.9
151.03996	1.3
153.01888	0.3
155.03455	1.4
159.04482	0.4
161.02466	0.8
162.03119	0.3
162.38373	0.2
163.03926	0.2
165.01901	0.3
171.03011	0.2
172.05290	0.2
173.04529	10.0
173.05975	0.8
174.03189	0.8
175.03981	0.4
175.07550	1.6
175.30785	0.2
176.04779	2.4
177.09192	4.5
178.99883	0.4
179.03467	0.4
187.03978	0.4
187.07591	2.9
188.04761	0.3
190.06291	0.5
191.05602	100.0
192.05954	1.7
200.04900	0.3
201.05641	0.4
202.06418	1.4
203.03775	0.2
203.07137	2.7
205.01422	1.2
205.08728	3.8
207.32880	0.2
213.62106	0.2
215.07115	1.6
219.10368	0.8
229.01437	1.1
230.01826	0.3
231.10266	3.1
233.06314	0.3
233.08229	1.0
249.11314	4.6
257.08133	0.9
259.06158	2.5
261.06030	0.4
269.04565	2.3
275.09293	0.5
287.05609	1.2
289.07175	1.0
293.04947	0.2
295.06165	0.3
315.05206	0.8
338.04642	0.2
339.05176	0.3
349.89444	0.3
367.10315	0.8
437.14670	1.0
445.09784	1.1
449.10510	2.9
449.16614	0.4
449.23230	0.2
466.75717	0.3
467.15579	43.3
468.15927	1.0
573.36932	0.3
591.66559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.5
59.01591	0.2
59.19030	0.2
60.99308	1.2
62.88321	0.2
67.01875	3.1
67.50742	0.2
68.09335	0.3
69.03441	0.6
71.01374	2.3
72.99303	1.8
73.02944	0.3
81.03448	0.4
83.05011	0.6
85.02932	9.4
87.00856	7.4
89.02428	0.3
92.10161	0.8
93.03435	25.5
94.03801	0.3
96.96034	0.4
99.00874	0.5
99.04538	0.4
101.02419	1.0
108.02188	0.3
109.02940	2.3
111.04514	4.7
113.02419	0.5
121.02925	0.5
122.03699	1.1
123.04521	0.3
125.02425	0.6
127.04002	2.8
129.01900	0.6
130.84785	0.2
133.02968	0.6
134.03722	0.6
135.04506	0.5
136.01634	0.9
137.02415	7.1
151.03920	0.3
155.03537	1.1
159.04514	1.7
160.01613	0.5
161.02432	0.5
161.04510	0.3
162.03084	0.3
171.02995	0.6
173.04532	11.8
173.05980	0.6
174.03214	0.4
174.06761	1.9
175.03984	0.5
176.04738	0.5
177.01974	0.3
177.09146	0.6
183.04668	0.3
187.03957	1.7
187.07605	3.7
188.04819	1.9
191.05594	100.0
192.05972	1.4
200.04674	0.4
201.05482	0.3
201.09100	0.4
202.06319	0.5
202.10039	2.1
203.07092	0.4
203.10776	8.2
205.08801	1.0
213.09206	1.3
219.10175	0.5
229.08585	0.3
231.10248	11.2
249.11256	1.7
257.08148	3.1
275.09222	1.8
285.04160	0.6
293.10245	1.3
297.03888	0.9
298.04764	1.1
327.05042	2.6
328.05673	0.3
329.12515	0.3
339.04819	0.3
357.06107	2.6
367.10092	0.5
371.32495	0.3
388.99747	0.3
401.18140	2.6
417.08310	3.0
449.14520	5.2
467.15567	48.7
468.16101	1.5
697.84589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.1
63.43578	0.2
66.58466	0.2
71.01036	0.3
71.01347	1.6
73.02937	0.4
85.07532	0.2
89.02437	0.9
93.53466	0.2
100.11140	0.2
101.02417	1.3
113.02455	0.4
115.67017	0.2
117.93631	0.2
119.03456	0.3
120.64845	0.2
125.73358	0.2
127.07642	0.2
130.95148	0.2
151.50697	0.2
159.66974	0.3
161.04601	0.3
235.08156	1.4
253.09276	3.4
275.20105	0.4
277.21701	100.0
278.22055	1.4
337.26965	0.2
498.75479	0.2
609.34583	0.3
720.67920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
71.01382	0.7
71.05011	1.8
74.30598	0.2
76.56320	0.2
83.01389	0.4
85.02418	0.2
85.02940	6.1
87.00850	1.2
93.03432	2.6
95.05008	0.3
96.96008	0.7
97.02933	3.0
109.02937	6.4
111.04524	1.0
113.02410	0.3
121.03046	0.1
125.02419	0.6
127.03999	2.2
133.02934	1.0
135.04494	1.0
137.02434	1.3
139.03993	36.1
140.04379	0.6
149.02403	0.2
151.00346	0.2
153.01915	10.6
155.03572	0.2
161.02431	2.8
163.04010	1.0
165.01909	4.1
171.02988	0.6
173.04526	1.3
179.03487	0.7
181.05029	0.2
183.02898	0.3
191.05595	100.0
192.05942	0.8
193.94920	0.2
252.49037	0.2
327.07120	1.5
345.04907	0.2
345.08255	8.9
353.08771	14.3
354.09058	0.3
377.97559	0.2
481.09836	3.8
771.46417	0.2
847.00500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.0
61.98832	32.2
63.22511	3.4
65.35748	2.8
68.87110	3.5
69.03446	3.9
71.01385	26.2
76.76669	3.3
77.15607	3.3
83.01394	4.2
83.05038	3.3
85.02969	13.9
87.00892	4.1
89.02453	15.1
96.96008	7.8
97.02954	5.2
101.02428	24.5
109.02981	3.2
109.06569	21.5
113.02480	7.2
125.02380	8.3
135.08119	4.5
163.11272	21.4
165.12805	13.6
176.04721	8.5
183.13896	82.2
191.05643	25.6
207.10255	54.5
209.11835	16.2
225.11322	24.2
227.12788	7.5
301.14447	18.2
312.13168	4.2
390.32819	4.0
393.99905	3.6
450.40735	3.7
605.87360	3.4
833.38177	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	833.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	28.8
60.05450	0.4
69.03442	2.2
70.38333	0.4
71.00979	0.7
71.01369	18.4
72.99308	0.7
73.02917	3.7
75.09418	0.4
80.02670	3.5
81.03443	4.8
83.01401	2.6
83.05013	9.0
84.02171	2.0
85.02925	5.8
86.35890	0.5
87.00851	4.0
89.02430	16.3
93.03440	2.8
95.01379	0.8
95.05031	1.7
97.02937	11.4
99.00864	2.8
101.02430	13.0
106.04269	0.5
107.05029	0.9
109.02950	0.6
109.06587	23.5
110.03721	1.2
110.06927	0.5
111.04488	0.6
111.58370	0.5
113.02438	6.7
116.92873	1.1
119.03500	3.4
121.06582	2.8
123.04549	0.8
123.08130	0.8
125.02428	4.4
125.06119	1.0
125.09688	3.6
135.04538	0.7
135.08189	4.4
136.05264	1.1
137.02362	0.5
142.02722	2.6
143.03450	0.7
143.57872	0.5
145.10242	0.7
161.04607	1.1
161.09692	2.1
163.11276	22.2
165.12788	3.9
171.10229	1.9
179.05550	2.7
181.12315	4.8
185.11809	1.1
187.09735	0.5
191.05605	5.3
191.10765	0.9
197.12064	0.5
207.10262	74.5
209.11821	100.0
210.12105	0.9
211.13397	0.6
217.12299	0.8
221.06691	1.7
223.13440	0.7
225.11320	31.8
227.12877	8.0
231.10454	0.9
235.08215	3.1
235.13304	0.6
243.12393	1.9
245.11769	0.6
251.12762	0.7
263.12820	0.9
265.07492	0.6
265.14224	0.8
299.14920	0.9
323.09848	0.5
373.24060	0.7
373.38364	0.5
379.12405	0.8
389.22955	0.5
397.13489	16.3
398.13123	0.4
399.21890	2.9
415.14624	6.2
417.22998	3.7
563.92285	0.7
589.63300	0.5
605.24542	2.3
623.25781	4.8
797.36145	9.2
815.36914	12.3
833.38104	20.6
834.38196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
59.22125	0.6
67.01901	2.4
71.01371	3.7
73.02917	0.6
81.03441	0.9
85.02943	6.4
87.00880	3.9
93.03440	16.4
93.03973	1.0
96.96011	0.8
97.88290	0.6
99.00854	1.2
103.18560	0.6
109.02961	4.2
111.04521	2.6
113.02459	2.5
121.02953	1.3
123.04510	0.6
125.02424	2.7
127.03986	1.4
133.02933	14.9
133.03900	0.8
135.04507	4.5
137.02431	3.5
147.04497	1.2
148.73677	0.7
149.02435	2.6
151.00351	1.4
155.03471	0.8
159.04501	0.8
161.02435	4.4
163.00317	3.4
163.03986	2.9
165.01961	2.6
173.04529	6.9
174.03220	0.8
174.85641	0.6
175.03990	4.7
177.01923	2.7
177.09183	0.9
179.03474	1.1
187.07588	1.1
191.05603	67.5
192.05869	0.8
193.01385	1.3
199.03984	1.1
201.01888	1.4
203.03574	0.9
203.07224	0.9
205.08632	1.1
213.05586	0.9
217.05020	1.0
225.05815	1.6
227.03528	0.6
229.01396	3.4
231.10194	1.1
241.05069	2.5
249.06128	0.9
249.11229	0.9
253.05072	2.6
255.03035	2.5
255.06462	0.8
257.04373	0.8
257.08194	1.0
265.70123	0.7
267.07098	3.6
269.04608	1.3
284.03226	9.5
285.04095	20.8
297.04025	30.1
298.04837	22.6
299.05600	14.9
309.03857	0.8
311.05664	8.8
324.02811	1.4
327.05109	66.0
328.05545	1.1
329.99371	0.7
337.03482	0.9
339.05087	11.2
341.06445	2.4
357.06180	62.2
358.06378	1.3
365.18317	1.4
369.06171	4.1
381.06100	0.8
385.11414	4.3
387.07172	0.8
390.82065	0.7
399.07275	0.8
429.08206	4.7
447.09335	100.0
448.09769	3.0
449.14426	3.4
465.13754	0.7
467.15576	24.0
833.24023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35140	2.0
59.67493	1.9
62.68185	2.0
71.01377	10.3
74.43164	2.3
78.95911	2.4
78.98581	3.5
79.95730	25.5
80.96505	69.9
83.92246	2.7
94.98069	16.7
102.28983	2.8
106.98060	4.3
122.97556	3.7
126.79724	2.5
134.97609	3.5
148.99106	6.0
152.98636	5.9
164.98567	13.2
225.00710	28.2
255.23105	2.9
289.58838	2.6
344.93463	2.7
350.31009	2.6
831.49225	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	831.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29514	4.7
68.57668	3.9
77.52847	4.7
78.95889	69.5
92.10331	4.6
96.96922	18.9
107.26840	4.8
119.01686	4.3
131.69196	5.2
152.81511	4.4
152.99504	18.0
223.00166	6.7
241.01216	32.4
255.23282	94.5
262.22379	4.9
277.21732	50.3
291.22778	4.4
324.43201	5.1
532.53455	5.0
577.03491	4.6
715.78125	4.8
825.17847	5.0
831.50293	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	831.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.4
59.01376	6.9
59.01630	0.4
71.01376	3.4
77.03979	1.6
79.01915	0.4
83.01420	0.6
85.02956	1.6
87.00896	0.5
89.02432	4.7
93.03448	3.3
95.01394	0.5
97.03013	0.3
99.04534	0.5
101.02428	2.7
109.03001	0.7
110.15601	0.4
113.02466	1.5
117.03439	11.1
117.04193	0.6
119.03527	1.6
119.05046	0.8
121.02956	2.1
133.02968	0.5
135.04474	2.6
137.02477	0.6
147.04535	0.5
149.02449	3.5
151.00378	0.6
152.03564	0.5
159.04497	2.4
161.02434	6.1
161.13341	2.4
163.00374	1.5
163.04001	5.2
164.01190	0.4
165.01933	0.6
166.02675	0.4
175.04033	0.9
177.01920	0.7
179.03494	1.7
179.05620	0.8
183.04611	0.4
189.01965	0.5
191.03517	2.4
191.05612	6.9
197.06177	0.4
203.03459	1.5
205.12354	3.9
211.07629	0.4
217.01459	0.4
225.05579	0.7
229.01282	0.4
237.05493	0.7
239.07138	1.7
247.16240	0.4
249.11313	3.9
251.07442	0.4
253.05060	0.6
268.03726	4.3
269.04559	7.4
281.04507	9.1
282.05368	6.5
283.06116	57.1
284.06512	1.9
285.04050	3.5
293.04504	2.0
295.06226	4.2
308.03418	0.4
309.04028	1.6
311.05624	88.0
312.05994	1.6
314.04245	1.9
323.05573	9.3
325.07306	0.6
341.02484	0.9
341.06659	26.6
347.05707	0.7
353.06857	0.5
365.06717	0.5
383.07617	0.6
401.08765	100.0
402.08929	3.8
429.17664	6.5
447.09741	0.5
542.10547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88207	4.8
59.01391	54.0
71.01394	33.4
77.56004	6.0
80.75748	5.8
85.02932	6.8
89.02427	11.0
92.63885	6.9
93.03457	7.1
97.02941	14.8
101.02456	10.0
109.06587	28.8
113.02439	12.0
116.92863	11.7
119.03423	7.5
125.09676	9.4
136.05217	6.5
158.93849	9.9
163.11284	25.4
185.79663	5.8
191.05591	36.6
207.10231	100.0
209.11768	24.2
224.33786	5.7
225.11346	44.2
256.17822	7.9
646.69031	7.6
787.34863	10.3
813.35834	43.1
831.36700	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80066	1.0
59.01378	100.0
62.97742	0.9
67.01894	1.1
67.87239	0.9
69.03454	1.6
69.05739	0.9
70.73289	1.0
71.01376	46.2
72.99301	1.0
73.02940	68.7
83.01392	14.3
85.02949	12.8
87.00885	5.6
89.02444	6.7
93.03448	7.3
95.01388	1.4
96.96015	1.2
99.04543	1.1
101.02429	46.1
109.02930	2.0
113.02462	13.0
116.55291	1.2
119.03446	4.3
121.02928	5.8
123.04476	1.5
125.02451	4.8
131.03493	5.7
134.03810	1.5
135.04492	6.6
136.01605	1.3
137.02382	1.3
143.03517	1.7
148.05276	2.6
149.02414	6.0
149.04509	4.1
150.03246	2.1
150.72273	1.1
151.03978	5.0
161.04581	9.8
161.05743	1.2
162.03210	1.7
163.03970	1.5
163.07573	1.3
164.04782	1.5
166.02679	1.8
173.04549	1.8
175.03944	4.7
177.05496	4.8
181.05016	2.5
190.06303	1.7
191.05611	33.3
192.04227	1.6
207.06560	1.3
229.01410	7.2
285.03961	1.1
329.10529	1.6
367.04614	2.6
386.13354	3.9
387.14514	5.4
535.19659	18.6
536.19751	1.4
542.10077	1.5
573.86816	1.2
734.17065	1.8
834.12463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93259	0.6
86.02150	0.6
93.94326	0.6
99.92564	6.8
116.92849	100.0
116.97257	1.2
117.92879	1.2
123.57217	0.7
166.14525	0.6
170.10576	0.7
243.79468	0.6
255.23424	1.2
364.35364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04334	4.5
82.95402	45.7
84.00894	100.0
89.83150	4.7
92.10156	19.6
99.11858	4.6
107.46448	4.5
118.53795	5.0
127.22343	5.0
249.18564	39.2
277.21716	30.6
279.23337	7.3
291.57043	6.0
317.88190	4.8
386.22775	5.8
400.60953	5.0
502.47180	5.1
608.85907	5.7
686.50452	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	831.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.4
59.01376	6.9
59.01630	0.4
71.01376	3.4
77.03979	1.6
79.01915	0.4
83.01420	0.6
85.02956	1.6
87.00896	0.5
89.02432	4.7
93.03448	3.3
95.01394	0.5
97.03013	0.3
99.04534	0.5
101.02428	2.7
109.03001	0.7
110.15601	0.4
113.02466	1.5
117.03439	11.1
117.04193	0.6
119.03527	1.6
119.05046	0.8
121.02956	2.1
133.02968	0.5
135.04474	2.6
137.02477	0.6
147.04535	0.5
149.02449	3.5
151.00378	0.6
152.03564	0.5
159.04497	2.4
161.02434	6.1
161.13341	2.4
163.00374	1.5
163.04001	5.2
164.01190	0.4
165.01933	0.6
166.02675	0.4
175.04033	0.9
177.01920	0.7
179.03494	1.7
179.05620	0.8
183.04611	0.4
189.01965	0.5
191.03517	2.4
191.05612	6.9
197.06177	0.4
203.03459	1.5
205.12354	3.9
211.07629	0.4
217.01459	0.4
225.05579	0.7
229.01282	0.4
237.05493	0.7
239.07138	1.7
247.16240	0.4
249.11313	3.9
251.07442	0.4
253.05060	0.6
268.03726	4.3
269.04559	7.4
281.04507	9.1
282.05368	6.5
283.06116	57.1
284.06512	1.9
285.04050	3.5
293.04504	2.0
295.06226	4.2
308.03418	0.4
309.04028	1.6
311.05624	88.0
312.05994	1.6
314.04245	1.9
323.05573	9.3
325.07306	0.6
341.02484	0.9
341.06659	26.6
347.05707	0.7
353.06857	0.5
365.06717	0.5
383.07617	0.6
401.08765	100.0
402.08929	3.8
429.17664	6.5
447.09741	0.5
542.10547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.6
59.01375	37.1
59.01669	1.5
67.01904	1.1
71.01373	19.1
71.01739	0.7
72.99308	2.9
73.02909	0.6
80.35566	0.5
81.92140	0.6
83.01398	3.8
85.02950	8.6
87.00872	4.0
89.02438	19.9
93.03469	1.0
95.01416	1.0
99.00882	3.8
101.02433	13.4
101.37930	0.6
105.86383	0.6
109.02950	5.7
109.29913	0.6
113.02449	9.9
114.67115	0.5
115.00350	13.7
119.03485	7.6
119.05026	3.3
120.41227	0.7
120.46950	0.6
121.06616	0.8
127.00354	1.0
131.04974	0.6
133.02945	5.1
135.04495	1.4
147.04512	100.0
149.06065	23.7
161.02428	23.6
161.06071	2.7
163.03993	3.4
165.05566	15.6
171.04568	0.7
174.03279	1.0
175.02458	22.0
175.03986	8.6
177.01942	9.3
177.05539	1.2
182.71599	0.6
185.06021	0.8
187.03966	4.6
189.05551	3.8
191.03636	1.3
191.05606	7.2
193.05028	5.3
203.03510	2.9
204.11987	0.6
205.04993	1.2
206.02249	1.3
213.05499	0.9
215.03488	3.9
217.04982	0.9
219.02939	7.7
231.06598	0.8
233.04512	11.9
237.04022	15.0
245.04361	1.7
247.06087	1.1
249.07663	1.1
257.04465	0.9
275.05627	4.1
277.03513	4.8
293.06592	3.9
297.04095	0.9
319.04535	1.3
327.10858	92.2
328.11038	1.4
337.05533	22.7
355.06796	0.7
499.10934	65.5
500.11255	2.5
583.42224	0.7
756.96088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
71.01368	1.0
72.99296	0.1
73.02938	0.4
81.03447	0.1
83.01355	0.1
85.02937	0.5
89.02438	0.3
93.03423	0.2
101.02407	0.7
109.02937	0.2
113.02420	0.5
121.02914	0.4
122.03719	0.2
135.04480	0.2
147.04558	0.7
148.05290	100.0
149.05618	1.4
161.02454	0.1
161.04591	0.2
163.07629	75.3
164.07954	1.0
191.05605	1.8
203.05615	0.1
214.80614	0.1
327.05048	0.2
367.13940	1.2
415.77295	0.1
417.24948	1.2
829.32025	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	825.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
60.99298	0.3
67.01892	1.4
68.14834	0.2
68.53209	0.2
69.03439	0.3
71.01376	1.3
72.14484	0.2
75.82569	0.2
78.44827	0.2
81.03440	3.0
83.05025	0.2
85.02930	4.9
85.03396	0.2
87.00872	2.4
93.03439	10.8
96.96036	0.2
99.04507	0.4
106.04241	0.3
109.02945	0.8
111.04504	2.4
119.05010	0.2
123.04498	8.4
124.04868	0.4
125.02420	0.7
125.78186	0.2
127.03998	1.5
133.02930	1.6
135.04503	9.5
137.02431	0.4
147.04434	0.3
149.02428	0.3
155.03564	0.2
161.02422	3.0
167.03491	0.7
171.03041	0.2
173.04524	7.7
179.03459	3.0
187.07648	0.3
191.05598	100.0
192.05945	1.0
227.07022	0.3
229.08667	7.0
230.09032	1.4
231.09259	0.2
245.54619	0.2
255.06566	1.7
273.07620	2.4
274.08023	0.8
281.29745	0.2
301.03549	0.2
353.08777	14.3
389.06448	24.0
390.07043	0.2
435.13083	5.5
436.13513	1.1
437.13477	0.3
467.15448	1.3
751.89087	0.2
781.33331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34911	0.5
59.01374	43.4
61.98839	0.6
71.01397	0.9
73.83482	0.5
77.65903	0.5
85.02942	2.3
89.02431	1.3
91.11484	0.6
93.03457	0.6
96.95983	1.1
101.02437	2.9
111.31276	0.5
116.92870	3.8
120.94032	0.6
121.02799	0.6
131.03493	0.9
191.05598	4.0
237.55872	0.6
266.06339	0.5
285.04102	1.4
304.99026	0.6
375.76846	0.6
408.02368	0.5
453.33624	0.6
585.38049	10.2
603.39032	100.0
604.39618	4.1
743.23767	0.6
766.98206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93313	36.5
61.98847	63.9
79.82707	41.0
80.96529	88.9
83.26849	40.4
87.49171	43.8
132.63673	50.4
135.94385	47.5
156.38554	49.4
164.98711	41.2
312.01419	50.7
396.57138	55.2
476.25284	49.7
563.81818	57.8
638.97430	56.1
647.68994	59.4
760.41016	59.8
825.47894	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	823.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90888	7.9
59.01358	11.1
59.65233	8.3
60.07603	7.4
60.79742	7.9
64.39365	8.1
66.96950	8.7
74.13087	8.7
89.13670	7.9
129.60303	8.9
132.51700	9.3
148.57510	10.6
163.39162	8.6
177.01854	8.6
184.12679	8.8
191.05563	48.8
209.11856	100.0
222.21960	9.8
222.47713	10.2
227.12695	10.6
253.09346	15.3
305.22113	9.5
341.23367	60.1
399.65363	10.5
722.65454	10.8
823.41974	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88971	22.7
65.72614	21.6
66.19204	21.7
87.68611	23.5
92.10154	100.0
117.42731	28.5
138.10605	28.0
165.45050	25.3
177.72160	26.2
277.21945	30.2
291.19525	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	823.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73861	3.6
67.39779	3.2
68.43109	3.2
71.01372	8.5
73.80389	3.7
76.51481	3.7
80.91662	4.9
82.95400	100.0
82.95821	5.4
149.63919	3.4
171.10246	5.9
178.74370	4.1
191.05609	5.6
207.10277	6.1
207.47823	4.1
209.11821	50.9
215.38950	4.1
225.11337	8.4
227.12910	4.8
253.09256	4.2
283.50357	4.1
763.93854	4.6
817.08276	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	823.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68031	16.8
60.04699	20.4
61.97487	18.8
61.98833	38.1
71.18410	18.1
76.85366	18.0
79.35523	19.9
87.87495	22.6
128.05365	22.4
191.05551	81.3
209.11899	100.0
565.11719	21.5
617.40686	27.2
682.06177	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	823.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	13.5
83.43911	12.7
132.42319	13.1
172.84543	12.9
191.05530	72.6
209.11832	84.0
341.23431	100.0
437.45355	16.6
521.03998	16.6
525.25244	15.8
586.79169	15.1
605.90161	15.0
772.18829	19.9
823.42682	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
65.48804	1.1
71.50938	1.0
90.68580	1.4
91.24419	1.1
92.10832	2.9
93.03461	6.3
106.59506	1.1
109.02946	6.3
116.92839	6.5
121.02919	7.1
122.03722	13.2
123.04382	1.1
125.02412	1.2
134.03716	1.2
135.04520	4.4
135.83434	1.2
136.01642	3.0
137.02419	21.5
149.02423	33.0
150.03209	100.0
151.00392	8.8
151.04042	11.8
152.04807	1.4
159.04460	2.6
161.02467	1.7
161.06049	1.7
164.04767	6.0
165.01920	15.7
165.05534	72.5
166.02678	32.5
167.03542	4.0
175.03989	2.8
177.01912	2.2
177.05525	1.6
179.03473	2.9
179.07120	2.9
180.04236	14.1
181.05042	39.8
184.03857	1.3
187.03999	2.4
190.06264	2.4
191.03786	2.0
191.05597	8.6
193.05023	2.1
195.06609	33.0
201.01404	1.4
203.03513	1.3
205.05064	8.6
207.06548	1.6
220.07445	5.8
221.08261	1.6
225.07526	4.6
239.03680	1.1
280.39835	1.5
319.54465	1.3
327.09079	1.2
329.10339	1.5
341.10400	1.7
357.13498	1.4
387.10538	4.3
387.14859	10.2
402.13232	5.2
417.15588	24.9
510.14670	1.4
535.15881	2.6
550.18182	1.4
565.20801	31.6
573.33197	1.2
595.21667	2.0
597.23309	1.8
601.30591	4.5
613.23169	1.8
627.24347	8.1
673.26678	1.6
775.29871	9.0
823.31726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70627	1.0
71.01398	6.0
71.65874	1.1
78.95911	10.4
97.02909	1.2
99.00881	6.6
99.92567	48.1
100.93346	6.8
102.19996	1.2
112.54580	1.3
115.92061	58.3
116.92845	100.0
126.94911	1.6
141.93695	1.5
142.94398	1.9
152.99550	2.0
156.68518	1.4
156.95996	2.5
163.11201	1.5
168.96001	1.8
173.96187	1.9
179.89214	4.9
183.13930	1.7
209.11856	5.1
234.51135	1.3
255.53490	1.2
277.21698	10.7
279.03491	1.8
281.04880	1.6
281.24722	8.9
282.25110	4.9
318.00430	6.7
497.11322	1.9
515.11395	1.5
587.87463	1.7
787.33893	18.9
823.35272	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	823.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
63.90950	0.3
67.01870	0.5
69.03430	3.2
71.00983	0.5
71.01373	16.1
72.94357	0.4
73.02934	6.0
81.03449	0.9
83.01396	2.0
83.05009	0.6
85.02941	9.1
87.00900	0.9
89.02439	2.1
92.63625	0.4
93.03444	2.5
95.01381	2.1
97.02928	2.1
99.00826	2.7
101.02427	11.5
102.66806	0.4
107.01378	2.5
108.02156	2.6
109.02956	0.9
111.04518	0.4
113.02449	6.5
123.00800	0.4
125.02429	5.4
135.04515	1.4
137.02414	0.5
151.00371	4.1
153.01933	0.4
159.02983	1.5
161.04549	6.8
173.04581	0.7
177.01854	0.5
179.48193	0.4
189.01892	0.6
191.05600	7.6
192.05901	0.8
199.07626	2.0
242.05838	5.1
243.06525	2.5
285.04010	0.4
297.06183	0.7
331.17676	10.4
338.68845	0.4
373.18652	5.6
405.12085	3.7
449.14172	0.6
617.18658	0.5
635.06189	0.5
823.55573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
67.57578	0.3
71.01377	2.0
75.00836	0.5
79.16412	0.3
83.01371	1.1
85.02950	0.6
89.02441	1.6
90.92258	0.3
91.55973	0.3
93.03456	2.2
101.02483	0.4
108.02200	0.4
109.02932	3.4
111.04433	0.5
113.02441	0.8
114.85217	0.4
119.05067	0.6
121.02953	0.9
125.02425	1.8
133.02937	13.0
135.04489	2.0
137.02411	0.5
139.03998	0.4
147.04504	0.8
149.02408	1.5
151.04018	0.5
161.02443	1.3
163.00319	1.6
163.03987	4.1
163.11227	0.5
165.01909	2.0
173.04466	0.8
175.03961	2.9
177.01944	1.6
181.12325	3.9
185.11829	0.4
191.03494	3.1
191.05568	5.1
193.01372	2.0
199.04019	2.3
201.01912	1.8
203.03499	0.6
211.04077	0.6
213.05577	1.6
225.05444	0.5
225.11305	5.1
227.03563	0.6
229.01437	0.6
231.06647	0.4
240.04237	0.4
241.05035	1.4
243.03001	0.6
253.04979	0.7
255.03004	0.7
255.06656	0.7
257.04660	0.5
269.04504	1.6
274.92181	0.4
284.03238	11.4
285.04010	8.4
297.04028	18.9
298.04782	10.3
299.05594	23.4
300.05917	0.5
309.04062	1.4
311.05627	3.0
324.02878	0.5
325.03409	0.6
327.05090	100.0
328.05515	4.0
329.05807	0.5
339.04968	4.1
341.06607	1.3
353.06799	0.7
357.06180	21.4
358.06412	0.6
363.05182	1.3
369.06073	1.5
381.06107	1.8
403.11029	0.5
405.11963	1.5
405.17551	12.0
405.23621	0.6
405.24792	0.5
417.08264	82.3
418.08496	3.3
419.09207	0.6
449.14249	0.5
712.08380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	20.2
71.60464	7.9
72.49414	8.9
75.39430	9.0
79.27477	9.3
85.02991	8.1
89.58804	9.5
92.10863	13.5
93.03442	11.3
112.25683	9.9
131.06812	8.6
163.11382	16.1
191.05612	39.1
207.10283	60.4
209.11899	15.9
222.52692	10.4
225.11276	21.2
341.23203	100.0
438.96777	10.0
485.32666	13.8
577.32416	10.2
744.29443	12.0
785.43439	59.5
821.40930	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49046	13.7
61.98812	23.2
65.14572	14.7
65.61279	13.8
70.59122	16.5
78.95909	23.2
93.03455	22.3
127.20018	15.0
147.77460	17.8
191.05611	67.9
207.10243	65.3
209.11832	100.0
221.15401	17.3
236.10522	17.4
341.23254	67.7
449.04474	18.3
747.42340	27.5
785.42987	29.7
821.40472	30.9
848.16882	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	821.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78207	0.5
61.98826	3.8
62.51324	0.5
65.00031	0.5
67.06643	0.5
70.07839	0.5
71.01372	0.5
73.28381	0.5
77.40554	0.5
78.31375	0.5
79.74522	0.5
80.10028	0.4
89.00027	0.6
104.42400	0.5
136.30055	0.6
152.84711	0.5
165.06100	0.6
170.67091	0.5
274.88232	0.5
277.21622	0.6
285.69321	0.5
423.32788	0.9
469.33221	100.0
470.33514	3.4
838.64661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22800	2.6
71.01373	6.8
71.66451	2.9
72.34678	2.8
76.98438	2.9
78.95914	5.6
80.96517	18.0
82.95397	100.0
89.39640	2.7
94.98113	2.8
95.31382	2.8
125.09648	4.7
127.23395	2.9
134.38277	2.9
138.34326	3.2
138.50616	2.9
142.61345	2.8
171.10220	3.0
191.05659	4.2
199.09758	5.0
201.11377	4.3
207.10252	18.7
209.11876	4.9
225.11319	12.3
277.21753	6.8
310.59796	3.0
381.46457	3.6
607.27979	3.2
659.27753	3.8
669.31262	4.6
753.98615	3.4
821.39758	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
74.57909	0.3
84.44778	0.3
86.54101	0.3
90.42535	0.3
92.10114	0.7
98.68578	0.3
114.36549	0.3
121.30102	0.3
148.77151	0.4
301.46014	0.3
303.85754	0.4
314.86090	0.4
323.46527	0.4
470.06396	0.4
471.34592	1.3
472.35046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.8
61.70581	2.2
61.98823	3.5
62.75531	2.0
78.95892	30.5
81.03440	2.6
83.01393	4.3
83.05025	10.2
84.02125	3.2
97.06581	3.0
105.37843	2.5
123.92625	2.4
125.00058	2.4
152.99541	9.8
163.11266	5.4
168.04327	13.6
191.10771	10.1
209.11827	100.0
223.13423	5.5
226.12129	10.2
227.12888	4.3
241.14423	44.7
279.23264	94.7
291.19727	4.2
330.65549	3.0
504.31354	4.0
521.43561	3.0
643.36462	6.1
669.38232	3.7
714.43494	9.7
728.45221	56.5
746.46490	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
65.03968	0.4
67.01893	1.8
71.01372	1.6
73.02935	0.3
79.05531	0.3
81.03445	21.0
85.02950	2.2
87.00852	0.5
93.03447	8.1
94.97338	0.3
95.01376	1.2
101.02432	0.6
105.03528	0.4
106.04232	4.1
107.01363	0.4
108.02155	1.4
109.02958	4.0
111.04532	0.4
113.02431	0.4
119.05027	0.3
122.03706	1.3
123.04504	100.0
124.04906	0.4
125.02425	1.1
135.04510	0.6
137.02463	1.9
138.03201	1.3
149.02431	5.1
153.01868	0.3
162.30516	0.3
165.05574	0.4
166.02657	0.3
173.04543	1.3
175.03925	0.5
177.01863	0.4
177.09120	0.4
179.47545	0.3
182.39003	0.3
185.06049	1.6
187.07593	1.5
189.01894	0.4
191.05600	14.9
192.05940	0.4
205.08720	0.3
207.58498	0.3
211.07674	1.1
219.02739	0.3
227.07170	1.2
229.08682	94.1
230.09016	1.7
247.09967	0.3
249.11446	0.5
255.06619	22.8
273.07681	28.7
435.12949	88.9
436.13257	2.8
467.15579	4.6
469.34970	0.3
484.92657	0.3
705.50354	0.3
718.64484	0.3
806.46558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
71.01373	0.6
78.05068	0.3
79.95747	0.5
80.96494	4.1
82.26823	0.3
85.21455	0.3
90.17351	0.3
94.98066	0.7
95.15536	0.4
145.08994	0.4
148.99057	0.4
164.98662	0.6
225.00706	0.7
278.21960	0.4
296.23050	0.4
549.18140	0.3
674.67340	0.4
772.17340	0.4
820.42004	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	820.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07917	0.6
61.98823	100.0
67.57281	0.6
71.01375	0.8
80.96516	8.4
85.29305	0.7
92.10075	1.4
94.98067	1.4
101.31994	0.6
152.98592	1.2
164.98489	1.3
221.66289	0.7
225.00673	3.0
277.21494	1.0
435.04996	0.8
581.28076	0.9
820.42560	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	820.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
63.47956	0.5
65.05746	0.5
71.01378	0.8
73.75970	0.5
74.18316	0.5
78.30614	0.5
78.95932	0.6
79.01550	0.5
80.96527	3.7
82.95421	1.3
88.97786	0.6
91.96072	0.5
94.98071	0.6
104.05698	0.5
135.61838	0.6
173.15184	0.6
209.11797	0.8
252.11174	0.6
325.28769	0.7
405.21027	0.6
820.42511	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	819.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
62.89120	0.3
63.78928	0.3
65.23042	0.3
71.01386	1.4
75.73756	0.3
81.03402	0.4
83.01427	0.6
85.02944	5.8
87.00887	1.8
87.79438	0.3
93.03436	4.1
96.95985	1.8
109.02912	0.9
110.78496	0.4
111.04523	1.8
125.02413	4.1
126.24256	0.3
127.03989	1.8
133.02919	1.3
135.04506	3.9
137.02397	0.8
149.02423	2.4
151.00403	0.8
151.95761	0.4
153.01909	2.0
161.02409	1.9
164.01091	0.4
165.01820	0.4
166.02724	0.8
167.03412	0.6
168.74367	0.3
173.04559	4.2
175.03918	0.7
177.01950	0.4
178.99797	0.4
179.03468	2.4
181.01390	0.4
191.05597	100.0
192.05951	2.1
199.03976	1.5
217.05055	0.7
229.01355	0.5
241.05006	1.9
243.02956	0.4
275.05569	0.6
285.03995	6.3
303.05093	3.2
329.08929	0.9
351.07278	0.4
353.08710	10.3
365.49112	0.3
437.43741	0.5
465.10068	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	819.384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96230	0.4
73.89009	0.4
81.31081	0.4
99.92577	7.3
111.79579	0.4
116.92847	100.0
116.97163	0.6
117.92849	0.8
134.00696	0.4
137.61388	0.5
159.33714	0.5
185.69852	0.4
339.53510	0.5
460.81247	0.5
761.63788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.60236	0.3
58.63305	0.3
59.01381	1.7
59.35738	0.3
59.47727	0.3
59.55495	0.3
59.86671	0.3
67.01894	1.8
69.03447	0.4
71.01384	2.0
73.02962	0.4
81.03421	0.4
83.01379	0.6
85.02935	9.5
87.00869	1.7
93.03440	14.6
96.95985	6.0
101.06013	0.4
109.02919	1.6
109.74159	0.3
111.04505	3.4
113.02387	0.3
113.05061	0.3
120.99623	0.4
125.02432	4.4
127.00272	0.6
127.03985	2.1
133.02943	1.5
134.03717	1.8
135.04501	29.3
137.02426	9.1
140.20512	0.3
149.02408	0.7
151.00348	1.8
153.01929	2.1
155.03526	1.9
161.02408	3.4
165.01880	1.3
168.60867	0.3
173.04523	32.5
177.01936	0.5
179.03485	23.6
181.01306	0.5
189.00471	1.1
191.05598	100.0
192.05949	0.6
199.03949	0.4
203.32291	0.3
259.06250	0.5
262.19299	0.3
273.07715	0.4
275.05612	0.8
285.03983	2.4
303.05072	8.1
353.08765	30.1
354.09146	0.6
407.99460	0.4
465.10391	2.2
609.16632	0.4
721.19348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
71.01369	0.4
71.05009	5.0
72.28146	0.2
73.02935	0.2
78.96566	0.2
81.03448	0.4
83.01391	1.1
85.02938	2.2
87.00893	0.5
93.03448	2.0
93.03951	0.2
95.05005	2.4
96.96004	1.5
97.02926	9.3
99.04517	0.3
101.02444	0.4
108.02177	0.3
109.02937	14.4
111.04464	0.2
119.05022	0.3
121.02884	0.4
123.04514	0.3
125.02425	2.2
133.02972	1.5
135.04465	0.4
137.02457	3.0
139.03995	100.0
140.04335	1.0
151.00368	0.3
153.01917	25.2
153.05492	0.4
161.02379	0.3
163.04025	3.3
165.01904	8.1
167.03473	4.7
173.04485	1.2
175.04013	0.3
177.01866	0.3
181.05045	0.5
183.02977	1.0
191.05595	19.9
197.04535	0.4
207.02911	0.4
214.56226	0.2
219.03197	0.2
235.02458	0.4
327.07199	4.0
345.08334	20.0
353.08884	1.7
465.10321	0.9
481.09805	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	818.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	7.4
67.20758	0.9
76.15574	1.0
82.06623	2.0
87.05646	7.7
112.07697	1.5
118.06653	1.3
121.04060	2.0
129.10324	30.4
130.08693	5.5
131.05020	1.3
136.71655	1.1
139.08719	7.8
140.07147	6.4
145.02902	1.6
146.06137	4.5
153.10390	1.2
155.08240	8.2
155.11914	2.4
164.09561	8.5
165.10350	7.9
167.08321	2.4
182.13013	2.7
183.11263	1.7
195.15009	1.7
197.16568	6.5
200.14026	8.1
207.15045	26.2
224.17717	12.3
225.15918	7.6
241.13463	5.5
242.11897	6.8
242.18742	23.6
259.14462	8.6
268.16779	1.3
268.20270	1.6
276.17371	1.9
295.21310	15.2
312.17178	5.3
313.22412	12.2
329.19785	1.2
330.18283	4.4
337.26053	16.2
339.20334	1.5
347.20816	1.9
355.27097	9.0
402.36200	1.1
463.27142	1.3
463.43430	1.1
468.35950	1.3
539.39142	1.9
573.37933	2.0
615.42633	1.7
693.92328	1.4
782.51813	100.0
783.52002	2.6
793.43542	1.3
818.49939	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	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
64.89882	0.5
81.60526	0.4
97.24501	0.5
129.99194	0.5
131.81572	0.5
140.85512	0.5
166.43938	0.5
191.05562	0.9
193.83929	0.5
209.11847	0.6
219.84340	0.5
284.54459	0.5
474.34702	0.5
645.99164	0.6
772.42975	0.6
799.74933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98824	100.0
68.74632	0.1
77.39297	0.1
83.05040	0.2
84.96989	0.1
85.53253	0.1
91.18377	0.1
104.51593	0.1
110.29410	0.1
110.42952	0.1
124.25616	0.1
130.39484	0.1
209.11856	1.7
210.12091	1.1
211.12422	0.3
213.30717	0.2
277.21719	1.1
278.22018	1.3
279.22345	0.6
419.05396	0.2
422.16983	0.2
446.34799	0.2
538.41949	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.6
61.98818	15.2
73.55520	1.4
75.31013	1.5
78.95892	16.9
80.96507	2.2
83.19894	1.5
86.24251	1.5
92.63366	1.6
152.99544	3.5
157.45079	1.6
168.04277	6.1
171.10265	1.8
191.05344	2.8
191.10701	3.0
202.29622	1.5
209.11827	23.8
224.07069	1.6
241.14371	8.8
277.21674	100.0
278.21951	6.6
278.76096	1.6
376.55673	1.5
641.34357	2.4
712.41351	2.3
726.43634	26.2
744.44873	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	817.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12031	0.4
61.15664	0.3
66.13587	0.4
66.86469	0.3
68.66353	0.3
82.43348	0.3
87.89455	0.4
93.64256	0.4
96.60651	0.4
99.92568	7.5
104.48444	0.4
110.49703	0.4
114.98408	0.4
115.10550	0.4
116.92846	100.0
117.92839	0.8
152.69588	0.5
189.90315	0.4
209.67987	0.4
217.45052	0.4
692.27594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44056	1.4
58.09935	1.4
59.01384	6.9
61.98826	9.6
65.07719	1.6
70.02754	1.4
71.01370	92.4
75.05894	1.4
81.61558	2.0
84.62973	1.4
85.61089	2.2
97.02799	1.5
101.02429	2.9
109.06577	2.1
120.43512	1.6
131.22058	1.6
135.08195	1.9
158.86699	1.8
171.10262	81.4
184.13249	2.1
199.09808	8.6
207.10222	12.0
225.11324	3.4
235.08173	2.6
253.09270	8.6
277.21710	100.0
411.75330	1.7
460.06500	2.2
721.41882	6.9
763.85278	2.0
775.74445	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	817.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.9
65.00332	2.5
67.01884	0.5
71.01385	3.1
73.02916	0.5
83.01393	1.0
85.02944	10.2
87.00867	3.6
88.30280	0.4
89.02441	1.1
91.01913	0.8
93.03436	5.3
96.95990	0.5
101.02430	0.7
101.79642	0.5
107.01386	3.3
108.02251	0.5
109.02940	11.0
111.04495	1.8
112.07175	0.5
113.02460	1.2
113.43789	0.5
115.01880	1.0
119.03474	0.6
123.04494	0.5
125.02412	1.0
127.03965	2.4
131.01369	0.7
133.02956	2.1
134.63821	0.5
135.04500	57.0
137.02463	0.6
137.10588	0.5
151.00352	12.9
153.02002	0.6
156.59151	0.5
157.12265	0.6
159.00868	9.1
161.02435	4.3
171.02882	0.6
173.04517	2.4
175.00372	0.9
177.01917	13.8
191.05602	78.2
192.06084	0.7
201.01859	0.7
202.99855	100.0
203.12849	4.5
204.00267	0.9
217.01442	1.0
221.00966	3.4
229.01355	1.1
257.41196	0.5
285.04025	0.6
287.05563	3.0
297.03918	0.5
313.03525	5.5
321.04059	3.7
339.05087	52.1
340.05591	0.8
349.16971	0.5
365.18106	7.1
449.08774	41.0
450.09344	0.8
625.12054	13.7
641.14960	2.8
817.17767	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	817.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01377	2.1
65.00311	0.7
73.38804	0.4
73.76031	0.4
80.68884	0.4
85.02934	9.2
85.48679	0.4
87.00873	2.5
92.10043	0.5
93.03444	3.8
103.00360	0.5
107.01362	2.2
109.02949	2.6
111.04522	0.9
121.02952	1.9
125.02429	0.8
125.12886	0.4
127.00314	0.5
127.03993	2.4
131.19795	0.5
133.02940	2.1
135.04486	5.1
148.01639	0.9
148.95036	0.5
149.02435	0.5
151.00359	14.7
161.02380	4.2
163.00343	1.9
173.04521	2.0
177.01874	0.8
178.99863	3.9
179.03445	1.1
191.05598	100.0
192.05937	0.8
202.99812	3.1
216.04170	0.6
226.02567	0.8
227.03392	1.8
229.05118	0.6
243.03018	7.0
245.04568	0.9
254.02182	2.0
255.02988	17.9
256.03296	0.8
271.02469	37.5
272.03073	2.5
283.02679	0.7
285.04074	0.6
300.02740	84.0
301.03497	38.7
302.03653	0.7
339.05069	1.8
353.08792	7.1
401.37454	0.5
449.08792	1.1
463.08847	59.9
464.09091	2.3
617.57373	0.6
817.18152	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	817.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93986	0.4
57.03495	0.4
58.17678	0.4
59.01374	4.7
65.00348	2.1
67.01918	0.5
71.01408	1.8
73.02949	0.5
74.70099	0.4
81.03487	0.5
83.01380	0.6
85.02944	14.5
85.03416	0.7
85.58884	0.4
87.00893	2.7
89.02465	0.5
93.03461	5.5
107.01393	3.7
109.02937	10.5
109.03622	0.6
111.04526	0.5
113.02424	0.9
115.01920	2.1
125.02436	1.8
127.04010	2.6
133.02924	1.6
134.03682	0.5
135.04503	58.8
137.02403	0.7
140.62819	0.4
147.00894	0.6
151.00354	16.4
151.01566	0.5
159.00865	10.8
161.02411	4.7
169.57443	0.4
171.02982	0.7
173.04518	1.7
176.01053	0.8
177.01906	13.2
191.05602	93.8
192.05954	2.0
202.99855	100.0
204.00195	0.9
204.21094	0.4
217.01483	1.0
221.00928	3.3
229.01363	2.3
287.05655	3.4
293.04706	0.5
313.03534	5.9
321.03818	3.1
337.09216	2.1
339.05084	51.1
340.05389	1.8
353.08691	0.5
449.08768	32.3
450.08945	0.8
625.11920	14.4
632.91449	0.7
641.15057	2.3
817.18073	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	817.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
62.41750	0.3
63.02406	0.4
63.80974	0.3
65.00314	0.7
71.01383	0.7
83.01404	0.6
85.02950	8.4
87.00873	2.2
92.10190	0.7
93.03442	4.0
107.01405	3.7
108.02184	0.7
109.02948	2.9
111.04524	0.7
113.02387	0.6
121.02946	1.6
125.02490	0.4
127.04015	2.0
133.02913	0.9
135.04509	6.1
137.02400	0.5
147.14017	0.4
148.01657	0.7
149.02484	0.5
151.00369	15.0
151.03998	0.5
159.00844	0.7
161.02452	4.6
163.00395	1.5
165.05554	0.5
173.04533	2.0
177.01944	1.6
178.88321	0.5
178.99855	5.0
179.03445	0.5
187.03951	0.4
191.05606	100.0
192.06012	1.4
201.59409	0.4
202.99841	3.7
215.03418	0.5
227.03432	1.7
229.04987	0.6
243.02928	5.2
244.03554	0.5
245.04567	0.6
254.02191	1.6
255.02983	15.8
271.02478	34.6
272.03180	1.7
273.03818	0.4
283.02460	0.9
287.05530	0.8
299.02170	0.6
300.02756	72.1
301.03528	31.1
327.05316	0.5
339.05081	2.4
352.53320	0.4
353.08774	6.5
414.97574	0.4
449.08755	1.7
449.26782	0.4
463.08844	50.7
464.09409	0.8
464.95169	0.5
625.11078	0.7
673.54468	0.4
817.18195	6.5
818.18060	0.7
828.08441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
61.98832	100.0
67.50176	0.6
78.95888	0.7
191.05528	1.5
444.22931	0.8
466.29108	0.8
742.43298	0.9
774.39117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76194	0.2
61.98824	100.0
65.18118	0.3
65.25446	0.3
82.24731	0.3
91.59668	0.3
159.42621	0.3
191.05544	1.1
207.10243	0.4
209.11842	0.4
218.47084	0.3
417.00931	0.3
487.40546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98828	100.0
63.37946	0.4
64.58073	0.3
67.30505	0.3
80.34750	0.3
85.02993	0.4
92.10806	0.4
102.36478	0.3
102.66732	0.4
116.09558	0.3
121.02947	0.4
156.99242	0.4
182.08881	0.4
191.05687	1.3
195.89540	0.4
197.11772	0.4
207.10141	0.5
363.95908	0.4
439.53198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98833	100.0
73.35043	0.5
92.21461	0.5
100.18979	0.6
101.17708	0.5
106.51785	0.5
111.73499	0.5
113.20680	0.6
116.92833	0.6
132.13618	0.6
204.37196	0.6
209.11885	0.7
277.21619	0.9
278.21844	0.7
413.60132	0.6
756.42249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01378	8.3
60.99287	0.5
63.02401	0.5
65.00323	10.5
67.01894	2.8
69.03445	0.4
71.01373	6.8
72.99315	0.8
73.02939	0.7
75.00861	2.3
83.01367	4.0
85.02943	16.1
87.00864	4.6
89.02414	0.5
93.03439	19.0
95.01373	3.2
99.00877	4.9
103.00375	1.6
107.01373	19.7
109.02976	3.8
111.04517	3.1
113.02433	18.8
115.00367	1.5
117.01909	1.7
125.02425	11.1
127.03946	0.4
129.01889	1.5
133.02919	0.7
134.03705	0.5
135.04500	87.4
136.04822	0.6
138.21581	0.4
151.00348	100.0
152.00676	0.8
153.01923	2.1
153.05676	0.5
155.03404	0.6
161.02426	4.3
169.01405	1.9
173.04521	8.6
175.02455	6.6
175.03828	0.5
177.01903	1.6
179.03465	7.7
191.05597	28.0
193.01332	0.6
203.03514	0.7
207.89667	0.4
238.37697	0.4
287.05600	32.4
288.05746	0.5
332.31866	0.4
339.79282	0.4
340.49844	0.4
353.08774	13.6
463.08829	35.3
464.09116	0.9
494.71603	0.5
817.18005	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	815.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
59.08958	0.2
71.01372	2.8
73.02938	0.4
80.02682	0.9
81.03462	0.5
83.01379	0.3
83.05012	5.0
84.02158	0.4
85.02959	0.5
87.00886	0.4
89.02435	2.5
89.90352	0.2
95.05033	0.4
96.00916	0.2
101.02413	2.9
113.02444	1.4
119.03478	0.4
125.06019	0.5
125.64213	0.2
135.08145	0.3
154.51431	0.2
161.04526	1.3
163.11267	3.8
165.11609	0.2
165.12752	2.1
167.54341	0.2
181.12411	0.4
191.10791	1.3
191.40091	0.2
209.11835	100.0
210.12143	1.6
227.12886	9.3
235.08156	2.3
253.09314	6.7
277.21716	78.6
278.22021	1.7
382.65704	0.3
383.44250	0.2
393.44315	0.2
445.20761	2.7
513.30432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11561	0.2
63.18119	0.3
63.35195	0.2
71.05016	1.8
92.10241	0.3
92.63309	0.3
99.04510	0.3
101.06070	0.4
112.71217	0.3
138.32906	0.3
154.63179	0.3
155.10747	1.6
171.10263	3.0
253.26918	0.3
295.22797	5.4
313.23846	100.0
314.24255	2.1
318.99414	0.3
355.26352	0.3
375.26865	0.4
377.28522	0.4
379.29990	1.7
391.30112	1.8
393.27850	0.4
409.31140	1.1
441.30081	1.2
457.33081	0.4
483.31189	10.4
501.32245	57.6
502.32709	1.7
510.62381	0.3
529.77576	0.3
734.70038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.6
59.64297	1.5
61.98816	1.7
65.42062	1.6
71.01385	2.8
83.05022	9.1
89.02425	3.3
101.02422	4.7
111.08145	9.7
118.15091	1.8
163.11253	4.5
169.12274	3.3
170.91768	1.8
191.05571	2.4
197.11804	50.5
209.11829	100.0
211.13429	3.9
227.12823	11.1
253.09221	14.3
284.07553	2.2
291.19601	13.6
309.20740	42.8
579.85663	2.3
585.91602	2.1
633.49738	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	815.2035
Annotation	CHEBI:75516
Peak:m/z	Relative Intensity
59.01377	0.9
65.00311	0.4
67.01881	0.4
68.82723	0.2
71.01363	0.9
77.03958	0.5
80.94931	0.3
81.03413	0.3
83.01388	0.4
85.02931	3.3
87.00864	1.2
88.41707	0.2
92.10134	0.2
93.03423	3.1
96.95940	0.8
97.02924	0.4
105.03481	0.5
107.01399	0.4
109.02937	3.1
119.04993	1.1
121.02914	2.1
123.00866	0.4
123.04484	0.3
125.02423	1.4
127.03986	1.0
133.01932	0.6
133.02930	13.8
134.03691	1.5
135.04491	2.4
137.02426	0.5
143.43355	0.3
145.02917	0.3
147.04475	2.0
149.02452	2.1
151.00388	0.5
151.03990	0.5
159.08553	0.3
161.02411	2.0
163.00336	2.5
163.03983	4.2
165.01955	2.4
171.02963	0.3
173.02356	0.4
173.04521	1.5
175.00340	0.3
175.03967	4.1
177.01851	1.2
179.03474	0.5
181.08743	0.2
187.03970	0.3
189.01920	0.2
189.05414	0.3
191.03575	2.3
191.05592	38.9
192.05948	0.4
193.01357	2.1
199.03931	1.9
201.01894	1.7
203.03438	0.4
211.03979	1.0
211.07605	0.4
212.04724	0.4
213.05580	1.5
215.03517	0.9
217.05080	0.4
225.05467	1.1
227.03441	0.4
227.07004	0.3
229.04997	0.4
231.06601	0.5
237.05461	0.3
239.07262	0.3
240.04227	0.9
241.05052	0.5
243.02977	1.2
251.03563	0.3
253.05061	1.9
255.02962	1.0
255.06567	1.1
257.04556	0.6
267.03070	0.3
269.04480	1.6
271.06107	0.4
281.04517	1.1
283.02435	0.3
283.05972	0.4
284.03241	12.0
285.04031	10.0
297.04022	19.4
298.04779	11.3
299.05582	24.0
300.06033	0.4
309.04126	1.1
311.05600	3.3
324.02527	0.5
325.03516	1.0
327.05087	100.0
328.05536	2.2
337.03433	0.4
339.05026	4.3
341.06635	1.1
357.06149	26.0
358.06635	0.4
367.10406	3.4
369.06226	2.3
393.05969	0.4
401.17996	0.3
447.09323	66.1
448.09619	1.5
558.94708	0.3
639.13818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
65.00299	1.5
65.55093	1.0
65.83963	0.9
67.01906	1.3
71.01379	1.7
76.56139	1.2
83.01392	1.7
84.97172	1.0
85.02939	14.7
87.00857	2.5
91.84043	1.0
93.03452	7.0
96.95977	1.3
107.01360	5.1
109.02930	2.7
111.00857	1.2
112.41088	1.4
113.02435	1.2
125.02400	4.9
127.03994	2.4
135.04497	34.6
151.00320	11.5
156.31737	1.2
161.02370	1.6
173.04552	2.7
173.08177	1.6
185.02377	2.2
191.05591	100.0
192.05913	1.7
197.02403	1.3
199.52156	1.3
213.01791	1.7
225.01881	5.2
243.02921	12.4
265.05099	4.5
269.00894	80.9
277.05026	5.9
279.02786	1.4
283.84320	1.3
292.03812	1.6
293.04602	9.0
295.06088	16.2
311.02005	4.6
321.03906	9.8
405.06131	39.9
406.06000	1.8
447.07178	36.5
504.84259	1.2
513.10126	2.1
623.10565	1.5
639.13202	15.5
785.33777	1.5
815.16376	7.9
838.25305	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	813.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07281	0.6
71.01390	0.8
75.24014	0.7
81.71693	0.6
91.33854	0.6
96.96010	3.2
117.07433	0.7
121.06549	0.8
171.10248	15.1
191.05571	4.4
198.63295	0.7
263.20129	1.2
275.20203	5.1
275.22827	0.8
293.21240	12.5
309.20218	0.8
311.22281	62.9
312.22562	1.4
325.06207	0.8
361.25159	1.0
363.26968	5.5
373.29303	0.7
377.28610	1.3
379.30133	7.7
391.30139	5.4
393.28186	1.1
407.29761	2.3
409.25769	1.3
409.31158	36.6
410.31271	1.0
423.28833	1.0
425.30569	4.3
427.32199	3.5
453.30112	14.5
455.31586	3.4
471.30975	4.2
501.32242	100.0
502.32468	5.9
566.07123	0.7
766.85278	1.0
772.37256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98824	100.0
78.95895	0.7
130.11848	0.6
191.05612	1.5
198.88025	0.8
326.15091	0.7
534.69788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01375	3.7
60.49464	0.3
60.99297	0.5
63.02377	0.6
63.30194	0.3
65.00319	0.6
66.30673	0.3
67.01897	1.3
71.01360	2.5
75.00846	0.5
81.03445	0.5
81.30407	0.4
83.01387	1.5
83.05050	0.4
85.02941	5.3
87.00847	4.0
89.02426	1.6
93.03435	11.9
96.96003	0.5
99.00880	0.6
104.80032	0.3
105.03474	0.4
107.01374	1.6
109.02953	1.8
109.21779	0.3
111.04516	1.7
113.02452	2.2
115.00363	0.3
119.04963	0.4
121.02963	0.6
125.02401	0.7
127.03925	0.6
129.01880	0.4
133.02937	11.1
135.03519	0.5
135.04514	10.5
149.02388	1.5
151.00349	6.2
159.04370	0.4
161.02467	2.9
163.00256	0.4
173.04521	5.3
175.03972	2.7
177.01901	2.0
178.99718	0.6
179.03510	3.1
187.03964	0.4
191.05602	27.6
192.05823	0.6
198.03204	0.5
199.03998	3.5
201.01895	0.7
205.12274	0.4
211.03978	0.5
214.02744	0.8
215.03566	0.7
215.05679	1.9
217.04994	1.5
227.03426	0.8
241.01314	0.8
241.05077	1.3
242.02219	4.4
243.02960	2.2
245.00835	0.6
255.03090	1.3
260.07321	0.4
267.02997	0.3
270.01636	3.0
271.02466	8.1
283.06247	0.4
284.03168	0.6
285.04031	100.0
286.04498	2.8
297.03973	0.4
298.00995	0.4
299.01993	11.2
299.05292	0.5
300.02762	1.3
301.03519	1.8
311.05637	0.6
327.05020	1.4
339.04877	0.5
351.07245	4.6
353.08801	11.3
357.06134	0.6
401.08780	1.2
405.61191	0.4
417.06104	0.5
429.17514	0.7
433.07425	0.7
461.07245	29.4
462.08081	2.4
463.08954	0.4
467.16467	0.4
623.10150	1.4
662.93939	0.4
695.31360	0.4
815.16504	5.9
815.31238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90573	0.9
59.01365	14.3
59.87956	1.1
60.99286	1.2
71.01373	2.4
72.99303	4.5
73.02935	1.1
74.92734	0.9
75.82246	1.0
78.95885	15.6
79.54358	1.0
80.02679	1.4
80.96512	4.4
81.03413	1.4
83.01369	1.1
83.05028	2.2
85.02943	1.4
88.98801	9.6
89.02436	2.5
96.96959	4.3
97.02917	2.5
101.02444	1.8
109.06573	12.8
113.02464	1.3
116.92884	1.3
123.21223	1.0
135.08133	1.1
142.02644	1.3
144.86845	1.1
152.99585	5.5
161.04541	1.3
163.11299	12.3
164.98547	1.0
165.12837	1.3
181.12300	1.4
207.10245	50.8
209.11807	21.6
223.00197	1.3
225.11348	15.3
235.08192	5.3
241.01099	8.4
253.09262	6.4
255.23265	17.3
277.21692	100.0
443.19470	2.0
461.19763	1.1
528.91290	1.0
721.41742	31.8
813.43854	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	813.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
69.97358	1.1
78.95886	56.5
80.96493	9.5
81.03429	1.4
83.05016	8.1
88.98782	6.4
96.96931	18.5
109.32968	1.3
116.92854	2.0
122.38530	1.5
152.99559	18.6
155.21120	1.3
163.11287	5.7
165.12848	2.4
179.88939	1.3
209.11824	93.5
223.00061	2.5
225.00751	1.5
227.12856	5.0
241.01199	34.6
255.20651	2.1
255.23293	59.0
259.02243	1.9
277.21548	2.1
297.03833	1.4
315.04825	1.4
373.91055	1.5
487.00018	1.6
571.27240	1.5
772.25153	1.7
781.40985	5.6
792.53156	1.6
813.43964	100.0
814.44812	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	813.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96680	0.8
59.01373	23.2
64.57237	1.0
65.54932	0.9
71.01379	4.9
71.56104	0.9
72.57922	0.9
76.56339	1.1
78.95889	19.7
80.02702	1.1
80.36244	0.9
80.96505	1.5
81.03448	2.1
83.05018	4.8
85.02914	1.2
88.98799	7.1
89.02431	4.6
96.96946	5.7
97.02934	6.5
101.02465	3.6
109.06575	34.4
113.02454	3.9
121.06612	1.3
135.08133	4.0
135.47202	0.9
136.05211	1.1
136.72279	1.2
142.02644	1.9
152.99586	5.7
154.86160	1.1
161.09692	1.9
163.11263	21.4
181.12283	6.7
189.09201	1.9
196.11057	1.0
207.10260	100.0
208.10594	1.5
209.11839	31.9
225.09227	1.9
225.11327	37.4
225.77821	1.1
241.01163	11.4
243.12543	1.0
253.09146	10.8
255.23270	18.5
277.21689	76.8
278.22021	1.8
299.15240	1.1
400.11340	1.0
441.33670	2.2
443.19189	6.5
461.20386	10.6
565.90656	1.1
703.41144	1.9
721.41638	36.6
722.41309	1.6
781.40741	2.0
813.44043	26.0
814.45740	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	813.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
60.99303	19.5
69.20519	0.8
74.22055	0.9
80.96510	1.1
87.00867	4.4
88.00418	2.1
88.98788	100.0
89.02433	24.6
92.10114	2.4
132.28880	0.9
147.81410	0.9
207.10330	1.7
209.11798	3.9
277.21701	9.3
299.20282	1.8
355.66290	1.1
471.34937	1.9
508.94812	1.3
813.43823	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	813.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
60.99315	5.9
71.01344	2.6
72.99305	12.0
76.04362	2.1
78.63898	2.5
78.95887	60.8
78.96287	4.2
80.02642	2.4
80.96507	5.6
83.05024	4.4
88.98793	38.4
96.96944	18.8
111.06510	2.3
114.37055	2.7
119.82092	2.8
123.78979	2.7
128.76653	2.6
151.47154	2.6
152.99577	16.6
163.11246	4.5
209.11804	90.7
223.00064	3.4
241.01222	38.5
255.23282	60.3
277.21701	2.9
391.22504	3.6
411.30191	2.8
549.26776	3.5
610.78534	2.9
633.19482	2.9
711.90619	3.1
813.44031	100.0
813.59448	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	813.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.2
68.69225	0.3
77.52889	0.3
78.30230	0.3
92.10806	1.1
99.92563	6.6
110.78286	0.4
114.93419	0.4
116.92842	100.0
116.97237	1.3
117.92863	1.6
124.37202	0.3
126.69836	0.3
137.05429	0.3
211.66742	0.3
274.89493	0.3
292.83978	0.3
648.82465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36096	0.7
60.99303	21.6
64.59503	0.8
87.00890	5.0
88.00423	1.7
88.98795	100.0
89.02437	20.3
89.02965	1.1
98.72407	0.9
116.92854	4.2
117.92844	1.1
124.56287	1.0
139.12747	1.0
209.11826	5.5
277.21652	4.4
520.11066	1.0
669.31909	1.2
785.16693	1.2
821.34851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24112	1.0
59.01386	1.8
64.02425	1.2
70.50674	1.1
71.05013	1.3
74.76096	1.4
85.02955	1.8
101.06081	1.8
105.71902	1.6
119.08658	5.2
125.09678	1.6
137.09714	8.3
152.08414	1.8
162.10503	2.2
167.10745	1.7
170.13049	1.3
171.10248	30.0
176.91058	1.4
178.89732	1.6
182.13432	1.3
183.10312	2.0
185.11798	8.2
186.49272	1.3
190.71909	1.5
191.05556	11.4
209.15483	2.5
219.17459	1.8
262.40146	1.4
273.18594	2.5
291.19638	16.6
309.17175	10.6
309.20648	71.6
363.10266	1.4
375.27054	2.8
379.30072	8.3
388.70718	1.4
391.29965	17.7
393.27939	2.5
409.31207	17.1
423.29077	2.9
427.32074	1.8
453.30466	1.6
455.31903	5.2
471.31326	10.7
501.32233	100.0
502.32550	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	813.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
59.12043	0.4
63.71279	0.4
65.00336	0.5
67.01878	0.5
67.42444	0.4
71.01376	2.2
85.02930	0.9
89.02440	0.9
93.03446	2.3
109.02905	1.2
113.02413	0.6
118.54528	0.5
120.58009	0.6
121.02916	1.1
123.04429	0.7
125.02418	0.9
128.96942	0.5
133.02907	13.7
134.03778	0.8
135.04521	1.3
147.04570	0.7
149.02431	0.7
151.00354	0.6
161.02437	2.2
163.00360	4.2
163.04012	2.9
165.01942	0.8
173.04559	0.7
175.03938	3.4
177.01944	2.4
187.03978	0.6
191.03709	0.9
191.05582	11.3
193.01416	1.0
199.04033	1.1
201.01903	1.2
203.12889	2.6
204.94380	0.5
205.01382	0.6
211.03984	0.8
212.04831	1.3
225.05565	1.1
227.03444	0.6
240.04236	0.9
241.05038	0.7
243.02841	0.5
253.04961	2.5
255.02895	2.3
267.02695	0.7
269.04480	1.3
284.03281	9.8
285.04068	20.0
297.04050	30.4
298.04807	22.8
299.05597	15.4
309.00552	0.8
309.03992	2.1
311.05597	6.7
324.02707	0.9
325.03458	1.1
327.05096	72.5
328.05377	0.9
339.05103	8.6
341.06525	2.8
357.06180	69.2
365.06915	0.6
365.18201	5.4
366.18674	0.8
369.06061	4.0
387.07346	1.0
393.06226	0.7
399.07108	0.6
411.07639	0.7
429.08389	4.1
445.05661	2.6
447.09335	100.0
448.09845	2.9
609.67474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99298	21.4
61.66934	0.8
78.95874	2.2
87.00835	3.5
88.00377	0.9
88.98790	100.0
89.02439	15.7
98.72282	0.9
159.60364	0.7
204.66621	1.2
209.11795	1.8
237.14923	5.1
258.31693	1.1
277.21600	3.9
427.60013	1.0
811.41687	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	811.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	18.9
62.70204	0.8
74.15764	0.8
81.92715	0.9
84.53033	0.8
86.45648	0.8
87.00870	2.1
88.00390	1.8
88.98801	100.0
89.02426	15.1
89.02863	0.8
91.47437	0.9
185.17569	0.9
192.23439	1.0
255.23338	1.9
277.21558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17541	1.5
58.83500	1.6
59.01379	18.1
59.46569	1.5
62.89452	1.6
69.03455	3.0
71.70239	1.8
77.90520	2.0
78.02774	1.7
92.10238	2.3
97.62026	1.9
101.02458	3.5
111.08115	8.4
116.92773	2.0
148.89865	1.7
162.84799	2.0
165.37991	1.8
167.10703	2.6
169.12337	2.1
179.10822	2.1
179.14351	2.8
191.05592	8.7
195.13863	9.3
197.11812	47.9
199.13525	1.9
205.12328	14.3
211.13295	3.7
223.13387	100.0
235.08270	4.1
253.09265	9.0
270.71619	2.0
291.19550	13.1
297.02908	1.8
309.20667	42.6
459.22540	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	811.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65827	0.4
60.77628	0.4
64.08750	0.4
67.58475	0.4
69.03430	0.6
70.85506	0.4
71.05009	1.0
73.02932	0.4
77.18633	0.4
89.76386	0.4
95.01379	1.0
96.96039	0.5
97.02957	0.6
99.00863	4.5
101.06079	0.5
111.00856	0.9
119.08631	0.7
130.85182	0.4
137.09676	1.7
141.72919	0.4
151.04001	15.4
151.07629	23.8
152.08417	25.4
153.09148	0.8
155.41164	0.5
162.10481	1.8
171.10284	4.3
175.07590	0.6
184.07404	6.8
185.11757	1.0
190.09999	2.3
191.05600	0.7
193.08667	1.1
208.11049	2.9
209.15462	37.9
247.16988	2.7
252.09959	6.8
265.18008	7.7
291.16058	3.1
291.19717	1.9
309.17145	58.4
309.20694	8.1
310.17432	2.2
379.30057	2.2
391.30057	3.0
409.31183	2.0
441.30157	1.7
459.30389	0.5
471.31195	0.6
483.31146	14.0
484.30963	0.5
501.32251	100.0
502.32602	4.2
532.74017	0.4
536.65448	0.5
603.35413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.3
59.13079	0.3
69.09240	0.2
104.13967	0.3
114.93406	0.5
116.92826	2.1
242.61162	0.3
250.69624	0.3
263.70004	0.3
278.25308	0.3
287.66385	0.3
315.74884	0.3
356.68219	0.3
455.35300	100.0
456.35623	3.5
653.01843	0.3
664.25989	0.3
771.90594	0.3
804.83679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96978	0.2
59.57660	0.2
67.96431	0.2
68.01511	0.2
73.02943	0.3
99.92569	8.8
102.87737	0.2
114.93385	0.4
116.92847	100.0
117.01930	0.3
117.92881	1.3
118.74382	0.2
194.02557	0.2
214.92972	0.2
216.05820	0.3
771.95172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
74.67648	70.6
94.82697	79.6
96.01187	80.5
121.21291	79.0
136.03754	89.3
160.05666	83.0
197.51646	87.5
205.21590	78.9
213.40695	88.1
251.06300	82.5
343.35861	100.0
369.38647	86.2
525.10437	88.6
582.87378	87.7
686.33783	91.6
695.56708	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
66.33974	0.2
67.01891	0.2
70.11866	0.2
78.57188	0.2
82.66319	0.2
83.29242	0.2
85.02924	0.3
93.03433	3.8
105.03436	0.3
109.02934	1.1
112.15728	0.2
116.92849	1.0
121.02943	4.8
122.03717	12.8
123.04496	1.1
124.01611	0.4
125.02386	0.4
127.52728	0.2
133.02951	2.1
134.03712	1.1
135.04494	1.9
136.01643	5.3
137.02426	3.0
145.02852	0.4
146.03729	1.3
147.04521	0.3
149.02425	21.6
149.06108	0.4
150.03207	100.0
151.00377	2.0
151.04001	6.5
152.01099	0.4
152.04770	0.3
161.02412	0.4
161.06027	0.3
162.03270	0.4
164.04788	5.1
165.01895	2.4
165.05548	73.6
166.02698	6.0
166.05896	0.9
167.03551	0.3
168.68893	0.3
175.03989	0.4
177.01886	0.5
177.05563	0.3
179.03479	1.2
179.07202	2.0
180.04263	7.0
181.05057	6.4
184.03712	0.3
187.04050	0.3
190.02815	0.3
191.03835	0.3
191.05611	2.4
192.31226	0.3
195.06612	36.2
196.07037	0.3
205.05078	1.3
219.06737	0.4
220.07355	0.5
221.08188	0.2
225.07687	1.2
234.70963	0.3
329.10226	0.3
341.10199	0.3
357.09875	0.5
372.12698	0.3
387.14648	3.6
403.14301	0.3
417.15488	4.8
565.20886	7.1
566.21179	0.3
595.22784	0.3
613.23035	2.2
667.24707	0.3
713.26178	0.4
730.94037	0.3
746.13586	0.3
809.29871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01410	2.2
73.53017	1.5
73.57262	1.6
82.95414	100.0
83.05005	1.6
84.00903	40.3
84.95101	14.3
109.59093	1.9
205.83406	1.9
209.11826	64.9
213.49365	1.7
227.12834	3.8
253.09322	2.8
277.21695	30.4
281.25003	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	808.485
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03827	0.3
61.98825	100.0
79.66425	0.2
92.37125	0.3
96.60090	0.3
102.94863	0.3
104.49032	0.3
182.10370	0.3
646.49005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.69976	0.2
71.01399	0.4
81.03461	0.4
85.02975	0.2
93.03445	4.6
93.29643	0.2
94.91649	0.3
95.01390	0.6
95.05017	0.4
105.03445	0.5
107.05041	0.2
108.02141	0.3
109.02908	1.9
116.92857	1.2
121.02940	6.6
122.03722	13.9
123.00874	0.3
123.04491	1.1
124.01634	0.9
125.02416	0.4
132.02124	0.6
133.02951	2.6
134.03712	2.9
135.04504	1.7
136.01642	7.4
137.02426	7.4
138.03226	0.4
139.03983	0.4
145.02968	0.4
146.03719	1.4
147.04482	0.5
149.02425	34.0
149.06044	2.9
150.03212	100.0
151.00400	2.4
151.04001	13.5
152.01106	0.4
152.04785	1.1
153.05569	1.0
159.04445	0.5
161.02409	1.4
161.06056	0.5
162.03200	0.6
163.03998	1.1
164.04771	7.6
165.01871	1.5
165.05548	79.2
166.02698	7.7
166.05934	1.1
167.03482	1.2
175.03940	1.3
176.04759	0.4
177.01897	0.4
177.05540	1.6
178.02702	0.3
179.03471	1.5
179.07101	4.0
180.04271	5.9
181.05060	9.5
184.03726	0.5
187.03987	1.0
190.02742	0.3
190.06340	0.5
191.03531	0.4
191.05586	2.4
192.04175	0.3
193.05026	0.4
193.97194	0.3
195.06616	27.1
196.06979	0.3
203.03497	0.3
204.04320	0.4
205.05077	3.2
219.06543	1.0
220.07343	1.9
221.08232	0.3
225.07657	0.4
235.09692	0.4
266.05844	0.3
269.08243	0.3
315.08740	0.4
329.10330	1.1
343.11816	0.4
357.09622	0.5
357.13498	0.5
372.12057	0.5
373.12955	2.3
386.14084	0.3
387.10526	0.9
387.14536	3.6
401.12872	0.4
402.13293	0.8
403.13907	1.0
416.14691	0.4
417.15643	5.4
421.14951	0.5
535.15662	0.4
535.19543	0.3
550.18347	0.5
564.19946	1.3
565.20776	12.6
566.21405	0.5
595.21881	1.3
613.22913	3.7
713.25928	5.7
743.27344	2.6
761.27753	1.2
791.29553	0.6
809.30383	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	807.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	19.3
68.09678	15.3
92.10148	35.0
100.62627	16.4
104.92528	14.8
111.55161	14.7
183.31653	18.3
183.74289	16.7
191.05574	32.6
209.11821	72.0
293.21164	31.6
302.76096	16.0
487.34399	100.0
564.78912	19.4
768.15924	18.3
793.60889	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.4
59.01388	8.7
59.01674	0.5
61.60276	0.3
62.70279	0.3
71.01375	5.2
78.41102	0.3
83.01419	0.4
83.05116	0.4
85.02953	1.9
87.00885	0.4
89.02437	6.5
93.03465	0.4
95.01382	0.6
101.02434	3.3
107.01392	0.6
111.08170	1.8
113.02466	4.0
116.19641	0.3
119.03486	1.6
133.02946	0.6
135.04510	5.8
142.89590	0.4
145.65327	0.3
151.00395	4.6
161.04506	0.7
165.12827	36.7
179.05661	0.5
181.12329	0.4
183.13881	100.0
184.14230	1.7
191.05621	2.1
191.10681	0.5
197.15407	2.2
207.13812	3.1
209.11874	3.9
225.14992	1.2
227.12874	97.9
228.13196	1.6
241.14487	0.5
251.12843	4.7
269.13998	0.6
285.04028	5.7
287.05609	3.0
293.13803	0.9
299.15118	0.4
323.93350	0.4
329.16025	1.5
389.18158	28.9
443.23624	0.4
688.08228	0.4
757.70447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33264	1.6
71.01379	1.8
82.95407	100.0
84.00896	49.5
84.95116	12.3
100.58499	1.4
101.02415	1.7
103.80501	1.4
122.88258	1.4
174.77959	1.6
176.24573	1.7
209.11816	38.9
241.41241	1.6
253.09267	7.1
277.21692	52.6
277.24744	1.9
485.39182	1.7
673.08026	1.8
808.46741	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	807.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
60.97928	0.6
62.03001	0.6
68.81900	0.6
71.01365	0.6
79.95737	3.0
85.02948	5.3
87.00863	1.6
93.03439	3.6
96.95996	100.0
97.95911	3.0
98.95585	39.8
98.96403	5.3
99.92575	12.3
100.93345	0.8
115.92052	9.9
116.92838	1.2
133.02922	1.1
134.33563	0.7
135.04503	4.6
153.12878	0.8
161.02426	3.3
162.02783	0.7
171.07936	0.6
173.04494	1.2
179.03497	1.7
191.05609	58.6
192.05952	12.7
193.06047	7.7
215.95187	5.2
216.95883	2.8
217.96738	4.3
218.97551	1.2
219.94673	1.0
219.98596	0.8
220.95389	0.8
229.72974	0.8
234.97014	1.4
243.06636	1.0
243.94632	4.0
260.94965	1.6
261.95712	6.3
262.96460	3.5
263.97275	1.0
290.96066	1.0
317.99847	0.8
320.01343	1.3
323.05334	1.1
350.99600	0.7
373.00125	2.9
390.00601	1.2
391.01096	0.8
435.00189	3.5
436.00903	1.6
551.02466	0.8
569.04102	2.8
707.18262	6.9
708.19012	4.5
709.18970	12.7
727.09491	1.2
771.08118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	9.3
69.04665	4.8
71.01406	7.1
78.95885	5.5
131.75964	7.4
155.39828	6.4
190.26366	6.1
191.05562	23.3
195.63593	6.3
197.11832	13.1
207.10252	12.0
209.11835	100.0
225.11308	9.4
227.12849	9.4
253.09454	10.2
289.18155	9.1
291.19699	9.7
309.20648	30.3
322.99567	6.2
487.34305	28.4
704.75854	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	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	32.0
69.22533	1.0
71.01356	1.2
92.10807	4.5
99.12520	1.3
100.89606	1.3
105.67184	1.2
114.98296	1.3
249.18562	100.0
253.09023	3.7
277.21692	70.2
279.51788	1.4
514.76428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
61.00863	1.2
70.94917	1.4
82.95402	100.0
84.00889	31.6
84.95081	9.9
89.25236	1.3
109.06590	6.2
148.93999	1.3
155.35788	1.4
163.11244	2.3
181.70528	1.4
207.10243	20.4
225.11259	6.5
277.21759	13.8
443.19107	1.6
461.20169	2.6
473.20407	1.6
544.27478	1.6
721.41406	9.8
724.55621	1.5
772.10931	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	806.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32812	1.4
64.61250	1.6
82.95405	100.0
82.95895	3.7
84.00900	34.1
84.95122	9.2
101.02419	2.1
109.06615	3.5
196.09987	2.1
207.10175	17.1
223.13196	2.1
246.39706	1.9
249.11105	7.1
267.12234	2.5
277.21725	28.1
280.24612	2.0
293.21338	4.3
400.41147	1.9
564.72308	1.8
647.78436	1.9
721.41498	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44118	1.1
59.01393	2.6
68.20193	1.4
70.04883	1.6
71.01398	2.6
78.95905	2.8
80.91676	1.6
82.95411	62.3
82.95898	2.7
89.02424	1.8
101.02443	1.8
121.41068	1.5
172.23958	1.3
176.76651	1.4
183.13876	9.3
195.13892	8.8
203.10577	5.4
205.12350	2.2
209.11748	2.8
221.11513	3.0
222.64606	1.5
223.13206	28.2
225.99771	1.5
228.65620	1.5
237.10992	2.0
249.11026	44.5
253.09259	15.9
265.10794	1.7
267.12103	12.7
275.20062	10.8
293.21210	100.0
342.68399	1.5
389.67337	1.5
405.16281	1.4
407.43289	1.8
467.19180	5.9
485.20068	8.1
532.87378	1.6
796.73059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64058	1.2
59.01376	34.0
70.76099	1.4
71.01373	16.2
73.02935	1.6
76.56556	1.4
78.83064	1.4
80.92784	1.4
83.05022	6.0
85.02949	3.6
87.00860	3.5
89.02429	17.0
93.03445	2.0
96.96014	7.2
101.02423	16.6
104.84444	1.5
109.02966	2.0
113.02438	3.6
114.93422	2.0
116.92853	3.5
119.03539	2.3
122.40330	1.5
125.02421	6.0
141.01721	1.8
153.02026	2.1
153.12856	2.1
161.04561	2.9
163.11284	3.6
165.12880	2.3
169.12273	10.6
191.05582	12.1
197.11823	92.2
198.12192	1.5
209.11819	100.0
221.06581	1.5
227.12909	14.9
235.08186	3.7
295.09564	1.7
320.98911	1.7
379.12143	6.4
379.38052	1.5
397.13458	32.8
415.14563	9.7
474.45767	1.6
547.49139	1.6
595.26074	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	805.451
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	68.5
87.71809	5.0
96.96928	5.2
98.61857	4.7
102.76370	3.9
104.65746	4.0
109.06583	5.0
152.99586	82.0
163.11234	4.4
171.00604	9.0
171.10287	100.0
199.09724	10.7
199.13351	5.1
207.10226	4.8
209.11832	17.7
212.82036	4.3
227.03325	5.6
253.21790	5.7
265.95758	5.4
361.24915	5.0
377.85223	4.8
399.14255	21.7
453.15225	7.3
455.16653	8.2
471.16537	18.2
569.23956	7.9
626.65070	6.0
635.35553	20.4
805.47400	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	805.378
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02604	14.7
61.98853	20.5
62.87621	16.0
64.85867	15.5
69.92632	16.1
88.98806	76.1
93.03460	17.2
95.60208	14.8
109.39148	17.2
191.05603	100.0
207.10283	39.4
209.11813	24.2
258.04205	20.5
318.09637	20.7
325.20401	19.5
355.57874	18.0
391.51852	18.1
392.49982	19.7
393.13599	19.3
453.29642	20.8
501.32230	70.2
505.07932	18.5
583.70068	18.9
620.46368	18.2
769.40161	30.8
805.36560	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.4
58.00589	1.5
59.01374	69.1
67.01875	1.5
71.01371	38.6
72.99329	1.4
76.84422	0.9
83.01353	1.3
85.02944	18.1
87.00873	6.2
88.93192	0.9
89.02429	47.4
89.02962	2.0
93.03438	15.1
95.01378	4.5
97.28764	0.9
101.02418	17.1
107.58917	0.9
108.02134	1.1
109.02938	7.5
111.04523	1.1
113.02425	17.5
119.03487	15.2
121.02929	2.1
122.03801	1.0
125.02399	1.6
127.03954	2.0
133.02933	6.1
135.00890	1.2
135.04523	22.5
136.04872	2.0
137.02405	17.9
143.03487	1.2
149.02440	4.0
149.04572	1.1
150.03210	6.2
151.00362	7.6
151.03983	7.1
156.05870	1.1
161.02428	4.4
161.04497	2.4
162.03043	1.2
162.46046	1.0
165.01903	100.0
165.05521	2.3
166.02690	22.8
167.03493	2.1
173.04492	5.9
174.80151	0.9
175.03972	1.4
177.01955	16.9
178.02267	6.6
179.02165	1.0
179.03519	22.0
179.05583	14.2
179.07069	1.4
180.04262	63.9
181.05055	22.1
187.03970	1.2
189.01921	4.1
190.02600	1.4
191.03767	3.3
191.05594	91.2
192.04364	2.4
192.05959	9.5
193.06187	1.8
194.05853	1.9
195.02914	1.9
195.06613	73.8
203.03548	1.2
205.04993	1.6
207.06708	1.3
210.05345	15.5
217.01395	1.2
225.07675	65.7
234.58997	1.0
308.09061	1.1
321.03802	1.3
322.04578	1.9
335.05591	1.6
341.06747	2.5
350.03986	1.4
351.07486	1.8
352.07816	1.7
353.08554	5.2
354.08990	2.0
373.18658	1.8
387.14346	4.6
417.15634	20.1
451.10300	1.3
535.19629	7.3
613.12604	1.3
618.86414	1.1
625.23425	1.4
636.44568	1.2
643.23828	13.6
787.24042	7.5
805.19940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.7
57.35786	0.6
59.01378	17.0
65.00333	0.7
67.01893	1.3
71.01369	6.8
74.37386	0.7
85.02941	13.8
87.00869	3.7
89.02441	7.0
93.03441	12.3
95.01387	0.9
96.96027	1.2
101.02422	1.7
107.05029	0.8
109.02940	11.3
111.04507	2.9
113.02438	1.4
115.98193	0.8
119.03444	1.4
119.05010	0.8
121.02934	1.0
123.00868	1.6
123.04498	3.5
125.02422	3.2
127.04004	1.7
133.02942	4.5
135.04509	11.0
136.01596	3.2
137.02428	28.0
137.03409	1.5
147.04427	1.3
149.02393	1.3
150.03247	5.9
151.00368	14.6
151.03986	9.1
152.01102	1.5
152.04820	1.8
153.01854	1.1
161.02409	3.8
162.03207	1.4
163.04021	1.7
164.01175	1.6
165.01906	100.0
165.05547	7.2
166.02692	42.8
167.03490	4.9
173.04547	4.6
175.03995	3.1
176.01057	1.3
177.01895	7.8
178.02669	1.7
179.03464	28.1
179.05063	1.3
179.05644	0.8
180.04269	61.2
181.05051	42.6
184.03751	1.6
187.04012	3.9
189.01907	6.9
190.02737	1.4
191.03780	3.9
191.05603	83.5
192.04272	1.4
192.05908	4.5
193.04935	1.0
194.05801	6.0
195.02989	1.8
195.06621	69.7
196.06898	0.9
203.03497	1.4
205.05038	7.0
210.05305	11.8
217.01372	3.9
219.02977	1.0
220.07372	5.3
225.05457	1.5
225.07678	39.7
225.14952	1.5
231.02902	1.7
253.08722	1.1
285.04196	1.1
299.05273	1.0
329.10120	1.3
329.15988	1.3
341.06720	8.8
359.11404	1.6
371.11353	1.0
387.10358	7.4
387.14691	3.3
402.13483	3.3
416.14526	3.1
417.15546	40.4
451.10211	8.6
565.16919	1.6
595.21790	40.0
596.21820	1.0
643.24060	21.4
644.24365	1.1
666.42517	0.9
787.24652	7.9
805.25586	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	805.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01387	1.9
59.01632	0.2
59.04951	0.2
60.99318	1.3
67.01896	2.9
69.03458	1.0
71.01367	1.8
73.02991	0.2
81.03481	0.8
83.05016	0.8
85.02948	7.6
87.00866	5.2
93.03446	22.2
95.01363	0.2
96.96011	0.9
99.00855	0.2
109.02960	1.2
111.04510	3.8
127.04001	2.1
129.01923	0.7
137.02411	0.4
141.07193	0.2
145.71053	0.2
146.03716	0.4
153.01883	0.2
155.03539	1.5
161.02257	0.2
162.03220	0.4
171.02998	0.4
172.05232	0.3
173.04541	9.2
173.06012	0.7
174.03186	1.3
174.04683	0.2
175.07588	0.4
176.04767	2.8
177.09198	5.7
187.04074	0.3
187.07622	4.1
188.04758	0.5
189.05745	0.2
190.06329	0.9
191.05603	100.0
192.05894	1.6
202.06328	1.5
203.07149	3.1
205.08678	4.4
215.07114	1.0
228.04256	0.3
231.10226	5.1
233.06517	0.9
233.08266	1.1
249.11304	4.0
257.08270	1.6
275.09271	1.6
293.10431	0.3
337.09402	1.5
337.12939	0.2
449.14352	2.1
467.15555	53.0
468.15829	1.1
536.36566	0.2
714.83533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
71.01385	0.2
79.95729	2.7
82.13428	0.2
85.02946	3.1
87.00876	1.2
92.10289	0.3
93.03445	2.0
94.14016	0.2
96.95998	100.0
98.95578	2.4
107.08527	0.2
109.02922	1.2
111.04530	0.5
127.03979	1.2
129.69601	0.2
133.02948	0.6
135.04517	0.9
152.96536	0.2
157.02921	0.3
159.04384	0.3
161.02409	2.9
173.04544	1.4
174.35550	0.2
179.03493	0.3
187.03944	0.3
191.05606	58.2
192.06064	0.4
229.01424	1.1
230.01616	0.3
242.05721	0.3
243.06618	0.4
339.05032	0.5
353.08929	1.1
366.50107	0.2
430.87234	0.3
536.13934	0.2
707.18231	17.6
708.19733	0.4
810.82477	0.3
823.65222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
60.99301	0.4
67.01891	0.7
70.11076	0.3
71.01375	1.4
79.95715	2.8
85.02928	3.6
87.00861	3.5
92.98173	0.3
93.03435	8.5
96.95988	100.0
98.95604	0.4
109.02948	1.7
111.04501	1.7
115.00359	1.7
121.02938	0.6
127.03981	0.7
133.02950	0.4
161.02383	0.6
171.02991	0.6
173.04524	6.5
179.03348	0.7
187.03917	0.8
191.05592	47.8
192.05882	0.6
213.05580	0.6
219.03053	0.4
240.41216	0.4
241.04968	0.8
242.05865	3.3
243.06537	1.9
271.04541	0.6
271.09625	1.3
274.16629	0.4
278.07239	0.4
279.06537	0.5
289.05551	2.0
295.06000	0.5
297.07629	2.2
323.05649	3.7
333.14984	0.4
341.06485	0.6
375.07541	0.4
410.94873	0.4
463.10858	1.6
467.16055	0.4
515.12097	0.5
707.18323	21.7
708.18433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	23.3
68.05717	15.8
87.26195	16.2
120.71441	15.4
166.37267	16.5
232.41345	17.1
240.60414	14.7
253.21309	18.6
373.87479	17.4
455.35294	100.0
535.94971	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	803.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
58.63935	0.3
59.01380	2.0
60.99300	1.2
67.01881	1.7
69.03444	0.4
71.01356	3.5
74.42544	0.3
79.95731	0.7
81.03439	0.6
83.04987	0.7
85.02936	11.1
85.03418	0.5
87.00856	6.2
92.10201	0.6
93.03435	18.2
93.23022	0.3
94.34874	0.3
95.95740	0.3
96.95985	38.7
99.00847	0.5
100.07996	0.3
109.02943	4.2
111.04484	3.9
115.00336	2.9
121.02916	1.4
123.04527	0.6
125.02426	0.4
127.03974	2.9
129.01906	0.4
133.02913	1.3
135.04485	3.4
137.02475	0.5
145.02936	0.4
147.04521	1.1
149.06065	0.6
153.01933	0.4
155.03462	0.6
159.04436	0.7
161.02397	3.6
163.03970	2.8
171.02992	1.2
172.05252	1.4
173.02310	0.5
173.04529	10.4
173.05966	0.8
174.03259	0.6
175.03964	2.0
175.07689	0.4
177.01964	0.6
179.03447	0.7
187.03989	0.7
187.07617	9.6
188.04636	0.4
189.01865	2.9
189.05463	0.4
191.05588	100.0
192.05904	1.3
199.03996	2.0
200.04759	0.5
201.05653	0.5
206.08292	0.5
213.09181	1.4
215.07179	2.6
217.01430	1.5
217.08734	1.7
219.03001	0.6
220.06898	0.3
227.03487	1.9
228.04237	1.3
229.01344	0.4
229.08646	1.3
249.05598	0.4
251.06877	0.4
257.08136	4.5
266.06003	2.3
281.04504	0.7
283.06094	0.6
289.05673	1.6
293.04480	0.5
294.05197	0.4
294.08902	0.4
295.06552	0.5
295.09616	2.7
311.05707	0.7
322.04837	0.5
339.05057	2.9
339.12320	0.6
352.07843	0.7
353.08691	1.2
393.13275	0.4
419.11127	0.6
449.14752	1.3
463.10861	1.4
513.10248	6.9
611.11298	0.5
705.16492	2.7
803.24023	16.2
804.24243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01375	3.0
67.01903	0.4
71.01366	5.8
73.02935	1.2
77.05943	0.3
81.03426	0.3
85.02937	4.3
87.00876	1.6
89.02438	1.7
93.03437	6.1
95.01382	0.7
96.95992	21.4
99.00888	1.2
101.02414	2.5
105.86895	0.3
108.02161	44.8
109.02251	0.5
109.02946	13.1
111.04514	1.1
113.02443	1.4
119.04939	0.3
119.28901	0.3
121.02940	4.4
123.00906	1.3
123.04493	0.3
127.04007	0.3
131.03513	0.3
135.04498	0.5
143.03488	0.3
151.03990	1.6
152.01138	100.0
153.01959	3.3
159.02921	0.4
161.04500	1.2
163.04002	4.2
173.04535	4.5
176.39529	0.3
177.01892	1.3
179.03447	0.4
179.56755	0.3
181.05061	0.4
191.05589	13.6
207.02992	1.5
239.73877	0.3
286.61514	0.3
295.06140	0.7
297.06024	0.4
315.07285	1.4
339.05087	3.9
355.10333	6.7
447.11420	80.4
448.11700	1.7
513.10388	5.6
518.45923	0.3
705.17499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01363	2.4
60.99303	0.3
62.65501	0.2
67.01884	2.2
69.03445	0.3
71.01365	4.1
73.38866	0.3
81.03451	1.1
83.01362	0.4
83.05022	0.5
85.02934	11.9
85.03419	0.5
87.00867	6.5
92.10191	0.7
93.03434	19.5
96.96018	1.8
99.00900	0.3
99.04504	0.4
102.79259	0.3
108.02144	0.3
109.02934	4.9
111.04498	4.2
113.02438	0.6
115.00342	4.0
115.24714	0.3
116.15269	0.3
121.02905	0.4
122.03686	0.4
123.04414	1.1
125.02406	1.2
127.03990	3.1
129.01952	0.7
133.02942	1.7
134.03723	0.4
135.04501	9.5
137.02390	0.3
146.39127	0.3
147.00854	0.3
147.04538	0.5
149.06119	0.5
151.00356	1.9
151.04015	0.6
155.03468	1.1
159.00853	1.3
159.04482	1.4
161.02437	1.7
161.06102	0.4
163.03951	3.0
171.02951	1.1
172.05298	0.6
173.02420	0.4
173.04538	13.6
173.05969	1.0
174.03177	2.0
175.04001	2.3
175.07597	0.7
177.01892	3.0
179.03378	0.5
184.05330	0.3
187.03955	1.9
187.07635	2.0
188.04825	0.4
189.01950	0.5
191.05594	100.0
192.05948	4.0
193.01440	0.4
193.06091	1.1
199.04041	0.7
200.04924	0.4
201.05548	0.6
201.09186	0.6
202.99855	10.2
203.03381	0.4
213.09189	0.4
215.07112	1.4
216.07680	0.4
217.01460	0.3
217.08739	2.3
219.02998	1.2
225.05606	0.5
229.01529	0.4
229.08659	0.5
241.05005	0.4
257.08109	0.7
263.86847	0.3
266.05780	2.0
269.04483	1.2
269.07590	0.3
271.04547	0.4
283.09784	0.3
285.03894	0.6
287.05539	0.4
289.05762	2.3
292.03732	0.5
293.04602	0.3
295.06085	1.2
295.09747	3.3
298.04480	0.5
299.05521	0.6
311.05765	0.4
313.03528	1.3
320.06686	0.4
321.04080	1.1
322.04837	1.3
327.05087	3.6
338.04333	0.4
339.05151	6.7
339.12326	0.5
353.08774	1.3
357.06256	0.6
367.10352	2.2
367.14984	0.3
368.10648	0.4
393.13632	0.7
419.11337	1.5
435.94885	0.4
447.09317	1.8
449.08856	5.8
457.09430	0.5
459.07364	0.4
463.11008	1.5
611.12042	2.2
629.18549	0.5
667.35229	0.3
803.23956	20.0
804.24670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00336	0.4
59.01386	2.4
60.47546	0.5
63.39264	0.5
67.01885	0.8
71.01360	1.1
83.05016	0.8
85.02938	10.6
87.00864	2.7
93.03429	7.7
95.33920	0.6
108.02132	0.9
109.02927	11.7
111.04543	0.9
121.02882	0.7
122.03682	0.5
124.01620	1.3
125.02420	2.4
127.03958	2.5
133.02902	8.6
134.03688	2.6
135.04500	33.4
136.05200	0.6
137.02437	1.2
145.02936	2.1
147.04428	0.7
149.02318	0.7
150.03203	2.0
151.03998	5.7
160.01729	0.7
161.02420	15.3
173.02365	0.7
173.04475	3.2
174.03305	0.6
175.03992	0.9
176.01099	3.3
177.01903	56.5
179.03450	7.0
185.02435	0.8
187.04018	0.5
189.01900	9.8
191.05595	100.0
192.05939	3.4
193.06133	1.0
199.04048	1.2
200.01181	0.8
201.01900	1.2
202.99921	0.7
203.03574	1.0
214.02626	0.9
216.00644	3.7
217.01416	2.9
227.03394	0.7
229.01448	6.2
242.02147	2.6
243.03040	0.7
248.04469	0.6
255.06557	0.8
265.05142	1.0
266.05453	0.7
267.06409	1.0
277.05005	3.0
278.05746	0.6
278.53693	0.6
279.02368	0.7
279.06708	1.1
282.01724	0.7
283.06046	0.6
285.03928	4.2
287.05515	2.4
293.04526	3.2
294.05219	0.6
295.05936	1.0
303.03186	0.9
305.04471	1.1
307.08380	0.6
308.09045	3.4
311.05615	1.1
312.06094	0.8
317.04398	0.8
321.04037	11.3
322.04706	3.0
323.05524	3.5
331.02484	2.4
332.03232	2.2
333.03915	1.1
335.05658	20.2
337.03522	2.7
338.03790	2.3
339.05057	10.0
347.05563	1.2
348.06573	0.8
349.03540	16.8
350.04233	2.7
351.05051	6.2
352.07935	9.3
353.08893	9.3
361.03494	2.6
379.04486	1.0
391.04398	1.2
403.07568	0.6
449.08682	8.7
457.09332	0.7
459.07196	13.0
501.08096	7.9
611.11774	12.5
706.16858	4.5
787.01001	0.7
803.17554	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	803.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
66.52181	0.3
67.01894	0.7
69.03463	0.3
71.01382	1.9
73.02956	0.5
81.03474	0.3
83.04991	0.4
85.02951	9.6
85.03422	0.5
86.45283	0.3
87.00858	3.1
87.14433	0.3
88.70026	0.3
91.91248	0.3
93.03444	9.0
94.03801	0.4
96.95982	0.7
100.52586	0.3
108.02187	0.6
109.02941	5.4
111.00902	0.5
111.04528	2.0
115.00352	0.5
121.02941	0.8
122.03711	0.5
123.04490	0.3
123.11380	0.4
124.01630	3.0
125.02422	2.3
126.03222	0.5
127.03987	3.2
129.24986	0.3
133.02940	3.5
134.03751	2.5
135.04507	42.5
136.05208	0.6
137.02423	2.2
139.03938	0.4
145.02917	0.4
148.01701	0.4
150.03175	2.6
151.00221	0.3
151.03981	6.3
155.03471	0.4
160.01628	0.4
161.02440	8.3
167.03494	0.4
171.02943	0.8
173.04520	5.0
175.03984	0.5
176.01089	1.3
177.01921	18.1
178.02473	0.6
179.03471	13.0
180.04298	0.5
187.03978	0.5
189.01967	3.8
191.05602	100.0
192.05974	2.9
199.04065	0.5
203.03581	0.6
208.14151	0.3
213.01883	0.4
214.02757	0.5
216.00627	1.9
217.01433	1.3
229.01367	3.0
229.08670	0.3
242.02242	0.5
242.05748	0.6
249.05710	0.4
255.03131	0.3
256.00165	0.4
257.08154	1.3
261.05551	0.5
265.05112	1.2
267.06433	0.6
268.07150	0.4
269.04639	0.3
277.04932	0.5
279.02725	0.4
285.04041	0.4
291.06537	0.4
293.04523	1.6
294.05463	0.5
295.05991	1.4
305.04590	0.4
307.08286	2.0
308.08994	4.9
311.05756	0.5
321.04001	3.8
322.04788	1.3
323.05646	0.4
327.05093	0.6
331.02414	0.4
332.03058	0.5
333.03946	1.5
335.05649	7.9
337.03580	1.4
338.03827	0.6
339.04959	3.3
347.05658	1.2
348.06378	0.4
349.03580	5.2
350.03879	0.4
351.05093	2.0
352.08002	13.0
353.08786	13.8
360.02692	0.5
377.03104	0.5
379.04810	0.6
417.08469	0.4
449.08823	1.9
449.14420	0.7
451.10559	0.6
459.07187	4.1
461.08560	0.4
463.10925	0.5
501.08282	3.8
611.11719	5.0
704.14307	0.4
705.16040	0.4
706.17334	3.1
772.34967	0.4
803.22321	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	803.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
59.01377	0.7
61.07611	0.3
63.14122	0.3
65.55676	0.3
67.01894	0.3
69.88016	0.3
71.01377	0.6
79.95708	2.4
83.34837	0.4
85.02936	4.6
87.00858	1.8
93.03434	5.2
96.95988	100.0
109.02924	0.7
111.04527	0.7
127.03981	0.5
133.02948	0.5
135.04468	0.8
138.14551	0.3
144.57390	0.3
161.02422	1.5
173.04547	2.4
178.05008	0.3
179.03360	0.4
187.07614	2.9
188.00368	0.3
191.05594	37.9
192.06055	0.5
195.08067	0.7
211.07610	0.3
215.07095	0.4
221.06003	1.3
223.07603	1.4
227.03397	0.5
237.05388	0.4
239.07106	0.8
251.07054	2.0
257.08124	1.7
265.05148	0.5
267.06699	3.3
277.04950	1.6
293.04501	1.8
295.05994	4.4
311.05573	1.7
321.04001	3.6
339.05078	31.2
353.08960	0.5
449.10379	0.5
467.15463	0.6
513.10376	39.3
514.11127	1.3
590.23236	0.4
594.71820	0.3
705.16675	2.7
706.17456	0.4
772.33875	0.5
803.23706	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	803.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27251	0.4
59.01387	1.0
64.49969	0.4
67.01882	1.1
68.96077	0.4
69.03439	0.4
71.01385	0.5
78.95913	0.5
81.03450	0.7
83.05022	0.7
84.61005	0.4
85.02941	8.0
87.00856	4.0
90.97617	0.4
93.03438	14.1
96.95983	10.1
106.69639	0.5
109.02930	5.0
111.04504	3.4
127.03975	2.1
129.01901	0.6
133.02933	1.0
135.04518	1.6
137.02492	0.5
155.03510	0.7
157.02919	3.9
158.50290	0.5
159.04523	4.0
160.01694	0.8
161.02435	2.4
173.02332	0.5
173.04558	2.7
178.96013	0.6
185.02425	0.7
191.05606	46.9
192.05798	0.7
193.06651	0.7
195.08128	2.5
203.03404	0.8
206.07413	0.6
211.07663	0.7
221.06073	3.3
222.06868	2.2
223.07611	4.4
224.04803	0.9
229.01413	28.6
237.05565	2.8
238.06114	0.6
239.07182	4.0
247.03775	0.5
248.04741	0.8
249.05502	5.5
250.06267	2.3
251.07137	7.7
252.04240	0.8
253.05115	0.5
264.04297	0.8
265.04947	4.8
266.05890	1.4
267.06577	14.7
269.08200	0.8
276.04184	0.7
277.05072	6.8
281.04300	0.5
291.02783	0.6
292.03711	1.0
293.04562	11.3
294.05017	0.7
295.06091	18.0
311.05542	5.4
313.07114	0.8
321.00253	0.6
321.04041	17.8
337.03552	0.9
338.04187	1.8
339.05087	84.5
339.33786	0.5
340.05365	2.3
369.84235	0.5
383.81973	0.5
495.09534	0.6
513.10352	100.0
514.10889	4.2
641.24335	0.6
691.58569	0.5
705.16675	15.7
706.16211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67268	0.2
60.54918	0.2
61.98823	100.0
72.27020	0.2
78.95899	0.3
91.54430	0.2
116.61809	0.2
123.47762	0.2
133.05324	0.3
280.04156	0.3
347.92398	0.3
620.26593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
74.46632	0.3
78.95908	0.5
92.10911	0.7
139.14886	0.3
191.05617	0.5
195.14964	0.4
201.01054	0.3
209.11835	0.4
263.79169	0.3
273.65881	0.3
274.83188	0.4
298.91754	0.4
351.62680	0.3
747.46844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04037	0.2
65.25186	0.2
79.95721	2.2
85.02959	1.0
87.00854	0.4
93.03440	1.0
96.95998	100.0
109.02946	2.4
111.04509	1.1
127.03988	0.3
133.02905	0.5
135.04510	0.2
137.02434	0.3
157.02884	1.6
159.04495	1.0
161.02391	0.3
167.03598	0.2
171.87762	0.2
185.02457	0.3
187.14124	0.2
191.05594	10.3
192.05884	0.3
193.01427	0.3
203.03514	0.3
229.01404	19.3
233.43924	0.2
247.99596	0.2
249.05560	0.9
265.05017	0.4
266.05551	0.2
267.06628	2.4
269.08063	0.9
277.05112	1.7
284.79266	0.2
292.03763	0.3
293.04538	3.4
295.06174	2.5
311.05402	0.5
313.07166	0.4
321.03989	3.7
337.03546	1.1
338.04208	1.2
339.05038	6.9
353.08783	0.5
361.05527	0.3
513.10358	9.4
705.16711	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78921	0.5
59.01377	5.7
61.98830	10.4
67.20131	0.5
71.01373	4.7
83.05039	3.0
85.02937	1.1
85.64288	0.6
89.02435	3.8
97.26531	0.7
101.02432	3.5
111.32867	0.6
113.02422	1.4
125.09678	2.5
127.11262	2.3
152.99516	0.6
155.10756	0.8
161.04480	1.0
163.11238	1.0
165.12854	1.3
191.10799	0.8
199.09753	0.7
199.13347	0.7
201.11319	38.5
209.11826	73.7
210.58798	0.6
227.12885	8.9
235.08163	4.3
253.09299	10.2
269.61209	0.7
277.21698	100.0
278.22046	2.2
279.22314	0.7
343.06259	0.6
343.44870	0.6
354.01273	0.6
419.18857	0.8
437.20224	1.2
443.31479	0.6
445.21106	1.2
463.22198	0.7
513.30798	1.1
553.20630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
61.98824	100.0
80.96521	0.4
85.02946	0.4
85.53231	0.3
93.13956	0.3
123.04498	0.3
155.41936	0.3
159.50673	0.2
177.01915	0.6
191.05505	2.1
198.28188	0.2
209.11789	1.3
210.12207	0.3
277.43683	0.3
305.90189	0.3
672.07446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50875	0.1
61.98822	100.0
85.02993	0.2
89.71326	0.1
93.03451	0.2
108.34452	0.1
127.11230	0.2
164.00476	0.1
168.19005	0.1
191.05530	0.9
209.11855	0.2
215.59883	0.2
293.21017	0.2
294.21536	0.2
319.68011	0.1
516.98956	0.2
575.75909	0.2
802.49487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.5
61.98828	5.1
68.10059	0.7
68.34021	0.7
71.01372	3.4
78.95890	0.9
80.96518	1.7
83.05019	4.2
89.02447	1.1
91.99761	0.7
101.02422	4.9
142.21336	0.7
144.59235	0.8
151.45958	0.9
161.04579	0.8
163.11243	4.2
165.12845	1.9
167.31482	0.8
198.81924	0.8
199.81490	0.8
209.11826	100.0
210.12148	1.3
227.12865	11.1
235.08133	3.8
253.09315	7.1
277.21698	89.2
278.22003	1.1
445.20724	1.6
709.43921	1.2
711.37909	1.2
801.41351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.9
59.01384	3.4
67.01893	1.1
71.01385	3.1
73.02938	0.9
83.05019	0.8
85.02943	15.4
87.00858	3.8
89.50505	0.7
93.03434	12.1
105.03403	0.7
109.02937	6.5
111.04512	3.4
120.00140	0.6
121.02885	1.1
123.04418	0.7
125.02406	1.5
127.04004	1.7
133.02934	5.5
135.04497	3.6
137.02431	1.0
139.09744	0.8
142.39038	0.7
145.02937	1.1
147.04482	0.8
151.00377	3.0
155.03491	0.9
157.01837	0.7
157.02927	6.0
159.04460	4.4
161.02400	3.6
171.03026	1.1
171.04500	1.1
173.02373	0.9
173.04503	4.1
174.03151	0.8
175.04028	2.6
176.04802	1.3
177.01877	1.4
180.82353	0.7
191.05595	100.0
192.05948	1.1
195.73361	0.7
199.04051	1.3
201.01944	1.6
205.08690	0.9
229.01385	30.5
241.05090	1.2
243.02982	0.8
249.05591	1.0
264.04285	1.7
265.04974	4.4
266.05783	1.2
267.02841	0.9
267.06638	1.0
269.04449	3.3
271.02451	1.1
277.04987	3.4
278.05725	2.9
279.03006	1.2
281.04630	2.9
284.03244	6.2
285.03964	17.3
291.06628	4.0
292.03665	4.3
293.04535	13.6
293.79837	0.8
294.05249	4.4
295.06183	2.8
297.03949	4.9
297.07587	2.8
298.04807	4.0
299.05545	3.5
305.08167	0.9
307.06000	1.2
311.05615	1.7
315.06421	1.0
319.06158	1.1
320.03247	2.7
321.03995	1.5
321.11139	0.9
325.07266	5.2
327.05011	10.6
333.07727	1.1
335.01923	1.1
336.02826	2.7
337.03638	5.9
339.05148	0.9
345.11349	1.1
347.09210	3.4
348.02695	11.2
357.06219	9.3
359.05560	0.9
363.05090	2.5
363.12350	2.7
365.13962	1.1
373.10956	0.8
377.06616	18.0
389.10300	3.0
391.11899	4.4
403.07190	1.6
407.11444	1.6
409.12827	2.5
417.09677	11.8
435.10843	27.6
445.07278	0.8
447.09387	21.5
463.10779	2.8
565.17285	1.6
609.16260	40.2
639.13916	1.4
775.25806	0.8
801.21991	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	801.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01378	1.8
63.02398	0.3
65.00330	0.6
67.01884	0.9
69.03438	0.4
71.01379	1.4
73.02953	0.4
81.03436	0.7
83.01393	0.5
85.02940	11.8
85.03419	0.6
87.00854	4.8
93.03440	9.8
99.04469	0.6
107.01411	0.5
109.02948	5.3
111.04503	1.9
113.02463	0.6
119.05019	1.6
121.02010	0.4
121.02888	0.7
123.04507	1.7
125.02425	6.7
127.04002	2.9
133.02939	2.6
134.03708	0.4
135.04506	25.8
137.02394	2.1
143.05049	0.4
145.02945	0.7
147.04477	1.5
151.00398	5.1
151.03958	1.6
159.00896	1.8
159.04460	0.7
159.18839	0.4
160.86781	0.4
161.02472	4.9
163.00418	0.7
163.03986	0.9
164.01147	0.5
165.01900	0.6
171.03011	0.7
173.04530	3.4
175.03969	3.1
177.01929	7.6
178.99825	0.5
179.03445	0.6
183.04527	0.4
187.03983	1.9
187.07681	0.4
189.01933	0.7
191.05608	100.0
192.05913	0.6
199.03998	0.8
201.01939	1.5
202.99858	20.4
203.03583	1.4
203.07027	0.5
205.05130	0.4
211.04004	1.6
215.03575	0.4
215.07141	1.6
217.01515	0.6
219.03003	3.5
227.03517	1.5
229.01422	1.9
229.05080	0.7
237.05446	0.4
243.03014	1.8
244.86816	0.4
245.04459	0.7
245.08182	0.5
251.03259	0.5
253.04953	0.8
255.02962	11.2
256.03638	0.5
257.08148	0.6
265.05038	0.4
269.04489	1.4
271.02481	6.3
271.06104	2.4
283.02408	0.6
284.03256	7.1
285.04044	17.9
287.05612	1.6
289.07257	2.7
293.04568	0.6
294.05536	0.4
297.04047	22.1
300.02756	11.8
301.03537	7.7
308.03885	0.4
315.04922	0.4
338.04358	1.4
339.05106	10.3
351.07373	0.4
353.08673	2.3
407.07794	0.8
433.09268	21.8
435.10913	1.9
447.09323	13.9
463.08890	6.6
471.05499	0.4
609.15735	13.1
754.22058	0.4
801.18695	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	801.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40664	0.3
56.45863	0.3
56.69011	0.3
57.03461	0.5
59.01373	3.6
62.41479	0.3
65.00315	1.1
67.01880	1.3
69.03439	0.3
69.46511	0.3
71.01368	3.0
72.99289	0.5
73.02969	0.5
83.01383	0.5
83.05013	0.4
85.02937	13.9
87.00857	4.3
89.00317	0.5
89.02447	0.6
93.03432	11.3
96.96007	0.4
99.04482	0.5
107.01364	0.7
108.02173	0.6
109.02928	5.9
111.04504	3.0
113.02415	1.7
119.04984	0.5
125.02441	3.5
127.04021	3.6
133.02921	2.9
134.03735	0.5
135.04506	46.1
137.02412	0.7
143.04993	0.7
145.02954	0.8
147.04544	0.6
149.02495	0.4
150.99263	0.5
151.00331	3.8
152.01149	0.8
153.01923	0.4
157.02951	0.5
159.00830	2.9
159.04515	1.6
161.02428	4.2
161.06114	0.4
171.03043	0.5
173.02415	0.5
173.04558	3.5
173.05930	0.5
174.03154	0.4
175.02551	0.4
175.03969	0.8
176.01070	0.4
176.98145	0.5
177.01913	4.9
181.06650	0.4
183.04497	0.5
185.06146	0.5
187.03970	3.1
191.05608	100.0
192.05930	1.6
201.01849	0.6
201.05515	0.6
202.02687	0.8
202.99866	32.2
203.03040	0.9
203.03418	0.8
203.07242	0.5
209.06284	0.6
211.03960	2.3
213.05528	0.4
213.09109	0.4
215.03511	0.4
215.07155	0.5
217.01379	0.4
221.00955	0.5
225.05524	0.5
227.03368	0.7
229.01500	2.4
229.04970	2.3
239.03456	0.5
240.04289	0.6
247.70349	0.4
253.05098	1.4
255.02982	13.6
257.08279	0.6
265.05093	0.6
269.04474	0.7
271.06067	3.8
285.04047	2.3
287.05441	1.2
292.03732	0.5
293.04459	1.3
297.04031	34.5
298.04651	0.6
302.06140	0.4
311.05698	0.6
315.05273	1.5
321.04031	1.7
325.07315	0.4
327.05106	1.5
339.00958	0.5
339.05078	16.0
357.06158	0.6
373.10831	0.5
389.10275	0.6
391.11942	0.5
417.09912	2.5
433.09268	39.3
434.09830	0.6
435.11081	0.7
447.08734	2.0
449.14706	1.3
591.15344	0.5
609.12183	10.6
625.15320	0.8
690.89386	0.6
801.19482	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	800.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35196	0.3
59.66262	0.2
61.98824	100.0
62.04514	0.3
85.02950	0.3
86.86886	0.3
108.23010	0.3
145.40599	0.4
181.15643	0.3
191.05602	1.6
209.11777	0.7
292.19687	0.4
351.66324	0.3
456.13031	0.3
522.43781	0.3
655.91949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.3
59.01386	3.8
63.43259	0.6
71.01392	1.5
85.02942	15.1
87.00408	0.7
87.00858	5.4
92.10896	1.8
93.03443	11.0
95.80734	0.7
109.02940	6.5
111.00857	0.8
111.04505	1.9
123.04485	1.1
125.02423	7.7
127.04015	1.6
133.02933	5.2
135.04497	22.8
137.02385	1.4
145.03004	0.8
151.00380	4.2
159.04492	3.2
161.02434	7.6
163.03970	0.9
168.26755	1.1
171.02971	0.9
173.02365	0.9
173.04489	3.0
174.03194	1.6
175.03995	3.0
177.01910	4.7
179.03468	1.3
187.04025	3.1
187.07619	0.8
191.05598	100.0
192.06012	1.1
199.03999	1.0
201.01872	1.3
201.05710	1.0
202.99866	15.2
203.03485	3.2
203.07198	0.9
215.03583	0.9
227.03482	1.0
229.01355	1.7
229.05028	1.7
243.02892	1.7
255.02908	7.4
265.05197	1.2
269.04626	0.9
271.02512	1.1
271.06027	1.5
284.03152	1.4
285.03983	21.7
287.05264	0.8
289.06998	1.0
292.03644	1.2
293.04510	3.1
295.06094	1.6
297.04007	18.5
299.05542	0.9
300.02765	3.3
301.03552	1.2
321.03961	1.7
325.07123	1.4
327.05103	1.5
339.04987	8.0
389.10724	0.9
391.11899	1.1
406.51202	0.7
417.09595	5.6
427.44913	0.9
433.09198	16.7
435.10825	3.1
447.09055	6.1
461.07147	1.5
511.20364	0.8
591.15619	2.7
609.14496	11.2
774.96777	0.8
801.20270	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	800.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05230	0.3
61.98830	100.0
68.41546	0.3
72.28616	0.3
72.29050	0.3
79.64689	0.3
101.27270	0.3
156.91534	0.3
191.05568	1.3
202.11833	0.3
209.11771	1.2
210.12202	0.4
253.24187	0.3
372.82434	0.3
483.04929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
60.37616	0.2
61.98832	100.0
65.99310	0.2
77.08551	0.2
86.72456	0.2
93.45150	0.2
102.72314	0.2
104.88576	0.2
140.38170	0.2
191.05586	0.3
198.34688	0.2
207.10245	0.3
209.11824	0.9
211.13435	0.2
226.11459	0.2
293.21057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29172	0.4
61.98832	100.0
62.74459	0.4
64.18446	0.3
72.00286	0.4
83.64034	0.4
89.08705	0.4
92.10081	1.0
93.03404	0.6
95.42596	0.4
152.42534	0.4
175.75424	0.4
182.61047	0.4
185.98766	0.4
191.05585	1.8
207.10292	0.4
227.10320	0.5
618.44373	0.4
644.51837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57018	0.3
59.01389	0.3
61.98824	100.0
71.01374	0.3
78.95895	0.4
83.61146	0.3
92.10089	0.6
101.35285	0.2
120.11034	0.3
171.10153	0.3
185.05023	0.3
191.05537	0.4
217.93095	0.3
223.13310	0.4
224.13623	0.3
277.21674	0.6
293.21329	0.3
294.21515	1.0
399.27307	0.3
452.44809	0.3
523.66132	0.3
576.28546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
59.39468	1.2
61.98836	2.8
63.96242	1.6
71.01379	7.8
71.63839	1.3
73.02953	1.4
78.95911	5.6
78.98586	6.3
79.95725	14.8
80.96503	96.9
85.02942	2.7
87.00860	2.4
92.10216	1.8
94.98063	20.7
101.02425	2.0
106.98084	2.3
116.92794	1.7
122.97554	1.8
125.02415	2.0
134.97556	6.6
136.99146	1.4
148.99078	12.5
152.98607	8.1
164.98625	21.6
168.66510	1.4
206.99648	2.5
209.11806	6.8
216.14180	1.3
225.00740	30.4
252.91731	1.3
255.23279	5.7
533.30914	1.6
541.19550	3.1
779.40387	4.4
797.43597	100.0
798.43860	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	797.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	21.2
59.05511	0.7
59.49914	0.6
61.98825	0.8
63.65918	0.7
71.01380	5.0
73.02943	1.2
78.82452	0.8
81.03452	1.8
82.95409	0.9
83.01433	0.9
83.05018	4.1
85.02951	4.2
87.00896	1.0
89.02425	5.9
93.03436	1.2
97.02922	6.4
97.89024	0.8
101.02439	5.0
109.06585	37.7
113.02429	1.2
121.06591	1.8
123.04491	1.4
123.44608	0.8
125.09738	0.8
135.08134	3.9
142.02731	3.3
161.04553	1.4
161.09805	2.8
163.11276	23.1
171.10201	1.5
179.14565	1.0
181.12372	6.2
189.09241	1.2
191.05646	3.5
195.13937	6.1
197.11887	1.7
207.10266	100.0
209.11829	4.2
223.13387	8.9
225.11320	43.0
235.08148	5.5
252.86697	0.9
253.09279	14.4
267.61908	0.9
275.20197	7.2
293.21228	58.1
294.21304	1.5
309.20789	1.3
443.19394	5.2
461.20328	11.2
719.40210	3.3
737.28650	1.8
737.41174	40.3
737.54181	1.7
738.41394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
71.01377	1.3
81.03436	1.5
83.05025	5.0
85.02971	1.1
89.02419	3.9
101.02437	1.2
111.08178	4.9
113.02439	1.8
116.92863	1.2
135.08188	1.5
163.11252	2.2
165.12772	4.5
191.05608	6.0
195.13838	1.6
209.11835	100.0
210.12178	1.6
223.18539	1.0
227.12897	10.3
253.05795	1.1
253.09235	6.2
291.19653	53.1
375.31317	1.0
445.20932	2.0
487.34598	2.0
527.28357	1.4
530.71997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53054	0.7
59.01383	8.4
61.80814	0.8
68.91331	0.8
68.94170	0.8
71.01369	3.8
80.02689	1.3
83.05025	5.3
85.02937	1.7
89.02425	2.0
92.76562	1.0
95.04987	1.1
101.02444	3.8
108.00506	1.0
111.08172	10.5
147.75172	0.9
150.29195	0.9
150.39514	0.9
150.47681	1.0
159.31790	1.0
161.04582	1.0
163.11252	2.2
167.10718	1.9
168.33479	0.9
177.12775	1.2
179.10722	1.5
191.05617	7.5
195.13902	8.6
207.10143	1.8
209.11824	65.2
227.10878	1.5
227.12872	10.7
235.08203	1.4
247.20610	1.8
253.09248	6.3
291.19662	100.0
292.19931	1.2
293.21204	1.4
527.28613	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	793.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.9
61.98812	1.1
71.01370	15.0
78.36940	0.8
78.95903	1.2
85.02969	1.9
87.00896	1.4
88.70485	0.8
89.02433	1.7
92.10841	2.4
97.02970	1.7
99.00880	1.8
101.02448	2.4
109.06612	4.3
120.03665	0.9
125.09711	1.4
127.11274	2.3
138.43977	1.1
140.01353	1.1
151.80605	1.0
155.10750	1.6
161.04570	2.4
163.11290	2.2
171.10252	19.4
179.54929	1.1
181.08710	1.0
181.12286	1.9
182.84940	1.0
191.05544	1.2
199.09732	15.9
199.13394	4.2
201.11334	26.5
207.10266	17.6
225.11340	22.6
235.08212	5.9
243.12222	2.1
253.09222	11.3
277.21707	100.0
278.22250	1.8
370.20871	1.1
435.18777	1.9
443.19016	1.1
461.20157	1.9
487.47336	1.1
496.93231	1.3
513.30634	1.9
535.78278	1.2
647.02020	1.2
695.40100	8.9
721.42126	8.8
739.42932	6.9
757.43884	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	793.4423
Annotation	A 77003
Peak:m/z	Relative Intensity
61.84625	2.6
71.01373	5.4
78.98597	5.0
79.95737	19.4
80.96507	100.0
85.02991	3.3
94.98075	20.3
98.31322	2.8
101.02455	4.4
106.98031	3.3
116.92850	14.1
130.08357	2.8
134.97620	3.9
148.99167	5.0
152.98622	5.6
164.98592	17.1
225.00742	30.5
793.43903	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	36.3
62.92717	4.5
71.01384	6.6
85.02940	6.1
89.02429	6.2
93.03452	4.9
97.02937	9.7
101.02469	6.1
109.06576	39.6
111.08195	5.4
111.30666	5.1
112.71735	4.8
133.99812	5.1
163.11264	20.2
191.05594	43.8
195.13849	6.6
207.10278	100.0
220.14656	5.5
225.11307	56.6
253.09207	6.4
270.76654	5.0
291.19577	61.3
327.11783	5.1
422.73688	4.8
461.20258	9.2
471.34714	17.3
481.29303	8.1
487.80289	5.2
529.31012	6.4
621.31219	5.2
717.38550	31.7
735.39856	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	795.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01376	18.6
64.78313	0.5
69.03445	1.3
71.01367	5.5
71.04988	0.7
76.61443	0.5
80.56363	0.6
83.05030	0.6
83.70655	0.6
85.06616	0.6
89.02414	5.4
101.02415	4.9
113.02413	2.3
124.33582	0.7
145.17767	0.6
148.13463	0.7
161.04526	2.5
166.31697	0.6
167.10811	4.4
171.10201	3.9
179.10738	1.3
179.14397	4.7
189.61897	0.7
189.87962	0.7
191.05563	1.3
195.12115	0.8
195.13887	21.1
199.09714	0.8
201.11293	1.2
205.12318	12.3
205.15868	0.7
207.10213	1.5
209.11815	2.7
223.13387	100.0
235.08141	3.8
249.18709	0.8
253.09306	15.3
256.13107	0.9
275.20151	6.1
277.21756	9.1
293.21219	84.4
334.69278	0.7
376.01843	0.6
459.22440	15.7
499.34445	0.9
529.30023	3.8
575.86578	0.8
609.43866	0.7
735.43018	5.5
757.43488	0.7
779.92078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38958	1.8
59.01379	16.9
61.98842	2.3
67.01939	2.0
76.56751	1.8
78.95895	36.6
78.98621	1.9
80.96510	23.3
82.83745	1.7
83.01427	8.3
84.02199	2.2
92.33259	1.8
94.98074	7.7
111.97089	2.0
125.00049	3.2
125.09659	3.0
128.21135	1.8
134.97601	2.2
137.13489	2.2
147.96652	2.1
152.99588	10.0
163.11269	4.1
164.98561	4.3
165.12849	2.8
168.04276	10.1
173.48767	2.4
191.10759	8.9
209.11818	93.6
210.12085	2.1
223.13380	11.2
224.06931	8.1
225.00754	8.6
226.12080	3.1
241.14439	40.0
255.23296	100.0
301.23764	1.8
318.71146	2.2
322.04910	2.1
453.31784	2.2
619.35638	3.2
631.57800	2.4
645.37921	2.6
690.43018	3.5
704.45074	53.5
722.46246	34.4
796.40765	3.1
797.43744	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	797.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.29084	0.6
64.33289	0.8
67.40644	0.7
71.01363	1.0
87.00863	0.8
92.83415	0.7
93.03458	1.7
109.02937	32.5
116.70901	0.6
119.05025	2.7
121.02874	0.9
123.04501	18.2
133.02939	3.1
139.08595	0.7
141.90479	0.7
145.02945	1.1
147.04507	4.9
150.03246	1.5
151.04004	8.1
157.32826	0.7
159.04471	1.1
161.02402	9.1
163.04007	1.4
177.01912	32.0
187.04033	1.5
189.01918	72.6
190.02711	17.1
191.03459	16.7
191.05545	9.4
203.03491	10.1
216.00594	11.7
217.01416	53.1
218.02173	2.6
219.02968	20.2
227.61032	0.8
231.02971	18.9
232.03717	0.9
233.04457	1.1
289.07184	1.4
323.05508	3.3
334.01035	0.8
341.06662	100.0
342.06897	0.9
451.10373	97.2
452.10770	2.9
488.79596	0.9
780.79077	0.8
786.77625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01382	2.5
63.02386	0.9
65.00340	0.5
71.01373	1.9
72.99310	0.3
73.02947	0.2
75.00880	0.7
83.01393	0.3
85.02940	2.7
87.00874	0.9
89.02436	0.6
95.01360	0.4
99.00850	0.9
103.00392	0.2
105.03445	0.6
107.01383	1.6
109.02934	0.6
113.02441	2.0
115.00368	0.2
117.01933	0.6
121.02983	0.5
126.02743	0.1
129.01959	0.2
133.02937	5.8
149.02437	1.9
151.00352	3.7
151.04034	0.2
155.04871	0.2
169.06601	0.1
171.04478	0.4
173.06111	0.2
175.02559	0.3
175.03976	2.7
177.01930	0.2
185.06133	0.4
197.06071	0.6
198.03191	0.5
199.04033	2.4
201.01929	0.8
213.05563	0.6
215.03447	0.5
217.05055	1.3
223.04128	0.1
240.04344	0.2
241.04968	0.7
243.02957	0.7
257.04568	0.5
267.02872	0.3
274.56042	0.1
276.77835	0.1
284.03156	0.6
285.04037	100.0
286.04395	1.5
297.04028	0.5
299.05789	0.1
327.05011	1.0
339.48276	0.1
357.06262	0.7
450.93817	0.1
461.07263	30.3
462.07574	0.8
486.31909	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	791.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11583	11.7
61.63369	12.8
66.51501	9.9
70.13203	11.4
71.06270	12.0
74.50838	12.4
74.97765	12.0
78.95891	56.7
80.07919	10.6
85.14973	11.7
92.10165	53.0
92.25036	11.8
92.32499	11.7
95.78481	14.9
121.59403	12.1
128.93188	12.3
178.46381	11.7
196.89459	12.6
209.11823	100.0
236.50308	12.7
277.21655	81.2
390.82852	12.8
649.98352	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	791.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93464	2.0
61.98832	14.1
68.71757	2.6
72.42066	2.9
78.95889	66.7
80.96513	9.1
85.02948	4.2
88.39213	2.8
96.96007	9.4
119.36231	2.5
152.99574	65.5
153.51871	2.6
168.48259	2.9
171.00656	4.4
171.10239	25.0
196.89546	5.5
209.11818	2.9
211.13420	24.4
221.12065	3.0
227.03329	4.4
229.14426	16.5
239.12814	4.2
253.21761	10.1
291.19742	2.8
327.21786	49.9
555.25714	45.4
650.37463	2.5
791.31158	5.0
791.47162	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	792.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05013	1.2
83.05011	0.2
92.63261	0.1
102.26273	0.1
112.27098	0.1
141.77805	0.1
145.20078	0.1
168.13860	0.2
205.15773	0.1
209.11786	0.2
209.65326	0.1
371.29428	0.3
391.30157	0.2
405.31705	0.6
407.33267	1.9
423.32809	0.7
425.34320	2.0
427.32281	1.7
439.32172	0.3
443.35245	1.1
455.31680	0.2
467.31833	0.2
469.33234	16.5
470.33673	0.5
487.34286	100.0
488.34601	2.9
513.32416	0.3
792.40381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06673	6.7
55.31870	6.5
56.46526	7.8
59.79844	7.1
60.74021	7.2
61.98842	13.9
67.59172	6.7
67.64707	6.9
68.21253	6.5
92.63718	10.8
93.03448	10.5
116.92849	88.5
123.81763	8.4
127.65876	8.5
171.10277	15.3
172.07408	8.1
191.05579	16.8
209.11903	100.0
211.13387	42.3
227.12889	14.1
235.21725	8.5
238.29256	9.0
291.19696	57.8
319.91013	9.9
440.88202	8.8
451.55353	8.6
501.32104	69.6
502.32828	17.5
791.40051	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.47353	0.2
57.03444	1.2
59.01375	100.0
60.01715	1.3
61.01805	0.3
63.28133	0.2
69.03429	0.2
71.01373	10.4
72.99292	0.3
73.02934	4.1
76.21231	0.2
83.01366	2.3
85.02939	7.6
86.00072	0.2
87.00888	0.3
89.02437	1.3
92.63780	0.2
93.03436	0.8
95.01373	0.5
99.00870	1.2
101.02422	10.3
109.02937	0.2
111.00888	0.2
113.02425	4.5
124.67793	0.2
125.02396	0.4
129.01886	0.3
143.03543	0.4
159.02936	1.0
161.04541	3.3
161.83907	0.2
167.10725	0.2
171.13895	0.4
173.04501	0.2
180.08205	0.2
185.32811	0.2
191.05603	4.5
197.64029	0.2
242.71675	0.2
315.18228	1.9
321.15714	0.4
331.17609	1.2
332.18042	0.7
333.19196	7.0
333.77307	0.2
360.14563	0.2
371.20770	0.3
373.18741	0.4
374.18994	0.8
375.20215	11.7
415.23633	0.2
449.14575	0.4
753.39264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29767	2.3
56.45770	2.1
61.98829	4.9
76.84485	2.7
78.95897	100.0
83.05035	2.6
88.52911	2.6
92.10840	7.0
99.92564	4.5
115.92032	19.6
116.92842	17.0
128.58125	2.6
152.99588	48.5
166.64558	2.5
171.10220	5.9
179.89218	31.1
180.89995	16.3
181.90648	4.7
196.89473	31.8
209.11897	29.2
210.12082	3.2
211.13242	3.2
227.12869	4.3
229.14479	3.8
253.21675	14.8
281.24896	10.6
327.21609	11.7
519.07654	3.0
555.25720	11.9
716.44562	3.7
717.45575	10.8
755.28833	15.8
791.30554	37.8
791.46814	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	18.0
61.98830	14.6
93.03539	8.4
116.92794	9.7
117.34427	8.3
119.68080	9.4
144.72260	7.7
149.25432	8.4
191.05592	20.4
197.11792	8.5
209.11813	100.0
227.12848	18.7
253.09317	14.4
291.19687	12.1
309.20844	33.2
791.39777	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
61.98828	13.1
62.93342	5.5
78.95884	6.0
82.36472	5.4
85.02937	6.6
116.92859	11.7
122.27713	5.6
191.05518	14.4
197.11800	38.2
209.11826	100.0
211.13336	8.8
227.12885	38.2
253.09273	27.8
287.36484	7.4
291.19614	8.9
309.20795	73.8
311.17697	6.9
354.27600	6.0
357.50107	6.4
396.08725	6.6
501.32523	7.4
791.39783	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76633	9.9
61.98560	12.0
61.98821	100.0
68.80176	11.6
70.21297	11.8
78.95911	56.9
80.50843	12.9
92.63692	11.2
96.96034	15.4
109.06576	17.3
152.99553	27.2
181.78352	14.2
207.10217	56.5
209.11847	15.1
211.13498	14.5
225.11417	15.4
277.21750	30.7
279.23318	17.9
280.23761	16.7
299.50427	13.5
330.23532	18.4
433.88654	16.2
721.41827	28.8
789.41266	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	19.4
71.01370	1.1
71.05013	1.1
78.95902	1.1
93.03419	1.3
94.21751	1.0
104.67458	1.0
106.98206	1.1
111.07804	1.0
116.86119	0.9
116.92845	9.5
135.04491	1.4
149.10539	1.1
191.05592	5.5
277.08618	1.1
377.28558	1.1
415.37711	1.1
423.28497	1.2
453.29971	13.3
471.31140	7.4
483.31360	8.3
501.32263	100.0
502.32874	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	791.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61029	0.1
59.01383	0.5
59.49122	0.1
66.21157	0.1
71.01362	0.2
73.02932	0.9
78.76817	0.1
85.02943	0.1
87.00902	0.1
93.03407	0.2
96.96017	0.2
99.00874	0.4
99.92564	7.1
114.93420	0.6
116.92843	100.0
116.97231	0.7
117.01935	1.2
117.22217	0.1
117.92828	1.2
135.04498	0.2
138.00282	0.1
191.05586	1.5
201.39615	0.1
209.11780	0.6
247.19099	0.1
267.07703	0.2
285.08713	0.1
549.62274	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	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.3
61.98827	25.9
92.10112	14.2
93.03448	10.8
109.06583	13.6
113.41134	5.2
121.08707	6.2
159.96927	6.3
163.11269	8.1
191.05595	36.8
197.11827	40.4
207.10240	100.0
209.11777	7.5
211.13344	8.0
225.11339	35.4
235.08458	6.2
253.09273	13.9
268.16336	6.6
291.19757	10.1
309.20581	73.8
358.38867	6.0
487.34265	13.2
735.39325	10.1
753.40759	82.1
785.11035	7.1
789.38556	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.1
61.98834	13.0
85.02972	11.1
93.03437	13.0
99.43266	7.2
191.05602	100.0
207.10257	11.0
209.11771	10.8
291.19434	9.5
309.20499	9.7
487.34128	28.2
548.83746	7.8
789.35870	10.7
812.63904	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	789.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01656	0.2
55.01876	1.5
55.32991	0.2
57.03454	1.2
58.00618	0.2
59.01384	100.0
60.74107	0.2
67.01878	0.2
69.03450	0.2
71.01379	14.6
72.99326	0.3
73.02944	5.8
83.01376	2.8
85.02948	10.3
85.88982	0.2
87.00877	1.0
89.02415	1.6
93.03460	1.1
95.01374	1.3
96.78680	0.2
97.02914	0.3
99.00871	2.6
100.31698	0.2
101.02428	13.9
113.02444	7.2
125.02420	0.4
129.01927	0.3
131.03514	0.2
135.04556	0.3
135.71558	0.2
137.02415	0.3
143.03487	0.4
159.02966	1.4
161.04532	7.7
162.44447	0.2
173.04585	0.3
191.05573	4.8
191.35571	0.2
214.51740	0.2
240.01036	0.2
331.17609	12.4
332.18115	0.2
333.19208	0.4
371.20715	2.5
373.18655	13.1
375.20401	1.4
417.18259	0.3
467.15781	0.9
688.01367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36406	0.1
59.01380	0.6
67.00125	0.1
73.02946	0.9
74.80441	0.1
92.09877	0.1
96.95992	0.6
99.00834	0.3
99.92566	8.1
99.93203	0.3
114.93417	0.3
116.92844	100.0
116.97237	1.6
117.01907	1.4
117.92850	1.3
135.04562	0.2
191.05563	0.9
209.11797	0.3
285.64380	0.1
363.82169	0.2
766.56305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.1
55.76926	0.1
59.01376	8.5
61.57145	0.1
63.02400	0.2
65.00307	1.2
71.01372	1.4
73.02945	0.2
75.95142	0.1
81.03450	0.1
83.01378	0.9
85.02957	0.6
87.00880	0.1
89.02437	1.2
93.03447	0.5
95.01373	0.1
96.95997	0.2
101.02423	1.3
105.03467	0.2
107.01379	2.7
108.18535	0.1
108.30363	0.1
109.02930	0.2
113.02413	0.5
119.03481	0.4
121.02901	0.4
124.01603	0.1
125.02448	0.1
133.02934	13.0
135.04512	1.3
137.02449	0.4
149.02434	2.6
151.00352	7.1
161.02487	0.1
161.04593	0.3
166.02731	1.2
169.01427	0.1
171.04475	0.2
173.04572	0.2
173.06006	0.1
174.03204	0.1
175.03976	3.7
177.01958	0.7
179.03458	0.4
181.05043	1.5
185.06032	0.2
187.03880	0.1
189.05530	0.4
191.03815	0.1
191.05582	2.5
197.06133	0.4
198.03191	0.5
199.03990	2.8
201.01938	1.2
212.04745	0.1
213.05557	0.5
214.67966	0.1
215.03557	0.6
215.05530	0.1
217.05061	1.8
223.04105	0.2
229.05049	0.2
241.05130	0.9
242.02351	0.1
243.02933	0.7
255.03159	0.2
255.19667	0.1
257.04483	0.5
267.02963	0.5
283.02582	0.1
285.04041	100.0
286.04395	2.4
351.07080	0.2
352.08124	0.1
353.08594	0.1
387.10437	0.4
399.23877	1.7
402.13092	0.1
417.15872	0.9
417.24844	2.1
459.26074	2.0
617.14282	0.1
627.24365	0.4
634.75781	0.1
730.38165	0.1
753.34247	0.1
761.29602	0.1
789.33813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.6
61.98824	100.0
78.95877	10.7
85.02937	8.1
93.03432	7.9
191.05605	48.9
207.10095	7.5
209.11821	39.7
227.12903	9.6
245.84193	6.8
266.61151	7.3
307.19016	30.0
383.74432	8.4
487.34082	26.1
536.06854	9.3
543.27832	8.9
654.08508	6.7
702.30005	7.5
789.38715	8.7
799.55334	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	789.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01384	2.5
65.03959	0.6
67.01882	1.1
71.01380	3.1
73.32361	0.4
81.03443	22.6
81.03882	1.0
83.01392	0.8
85.02940	8.3
87.00877	3.4
87.89056	0.5
91.59999	0.6
92.10094	0.8
93.03432	12.9
95.01393	1.3
95.68185	0.5
96.95972	3.7
98.95564	0.6
101.02441	0.5
106.04242	4.0
108.02178	2.8
109.02946	5.5
111.04517	0.9
113.02432	0.5
119.05017	1.0
121.02941	0.7
122.03761	0.6
122.10540	0.6
123.04501	100.0
124.04782	0.6
125.02439	2.8
127.03947	1.0
133.02948	2.6
135.04533	3.3
137.02435	2.9
138.03215	2.3
149.02393	7.1
153.01945	0.5
161.02435	3.6
165.05428	0.7
167.03448	1.2
173.04523	3.8
175.03969	3.2
177.01849	0.9
179.03548	1.0
185.06027	0.8
187.07629	2.3
191.05594	92.8
192.05968	3.6
193.06107	0.9
210.19952	0.6
211.07587	0.7
227.07167	2.5
229.08679	88.6
230.09016	2.3
255.06615	24.7
273.07678	28.2
281.07892	0.9
339.05051	0.7
353.08774	7.9
435.12970	99.8
436.13086	4.4
467.15433	2.7
494.80728	0.6
505.06720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
60.99290	0.5
67.01891	2.2
69.03468	0.4
71.01378	0.7
73.02951	0.5
78.08918	0.3
78.99949	0.3
81.03426	3.1
81.36105	0.3
81.78018	0.3
83.05006	0.7
85.02934	9.5
87.00858	3.9
93.03433	14.9
93.25731	0.3
96.95991	12.9
103.20841	0.3
104.12772	0.3
107.04961	0.5
109.02945	5.7
111.04523	2.7
119.04993	2.4
122.03762	0.4
123.04504	11.7
127.03980	1.7
128.49977	0.4
129.01900	0.3
133.02954	1.3
135.04506	7.4
145.02821	0.4
147.50548	0.4
149.02391	0.7
149.06058	2.9
151.00357	2.4
154.53914	0.4
155.03496	0.5
161.02422	2.8
163.03992	2.7
171.02997	0.4
173.04521	4.7
175.03978	0.8
179.03462	0.4
191.05597	100.0
192.05939	2.6
193.06059	0.4
197.06038	0.5
211.07712	0.4
226.05920	0.4
227.07050	0.5
229.08696	11.3
234.64026	0.3
239.07101	2.6
241.05063	0.7
243.06529	0.5
253.08693	0.6
255.06619	4.1
255.10304	0.6
273.07654	5.1
281.08124	1.9
299.56866	0.4
337.09259	9.9
341.05099	0.7
349.10693	3.0
353.08746	3.5
391.11859	2.1
407.52316	0.4
417.09534	0.5
435.13049	11.7
436.12674	0.5
500.50406	0.4
544.57501	0.4
665.07428	0.4
691.18433	2.8
745.23480	7.9
771.20959	1.9
789.21783	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	789.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43998	0.1
57.03428	0.2
59.01366	1.0
59.38581	0.2
67.01872	0.4
71.01371	0.9
79.95718	2.7
84.39120	0.2
85.02936	2.8
86.72893	0.2
87.00858	1.7
87.90683	0.2
93.03436	4.4
96.95991	100.0
99.04504	0.2
109.02926	1.0
111.04532	1.4
113.02447	0.2
115.00354	0.9
123.04485	0.3
125.02422	0.9
127.03992	0.9
130.47258	0.2
135.04521	0.9
137.02411	0.9
148.36772	0.2
149.02451	0.3
151.00363	0.2
155.03426	0.2
161.02423	0.8
167.03476	1.2
173.04507	5.6
175.04008	0.3
179.03476	0.9
191.05606	38.6
192.06061	0.5
193.01381	0.4
195.02986	0.2
197.04471	0.2
207.02898	0.2
223.02412	0.3
226.06364	0.3
227.07164	2.0
241.05019	0.2
255.10323	1.6
281.08218	0.3
283.02850	0.3
285.04044	0.4
289.05548	0.3
296.75247	0.2
307.06030	0.3
345.06235	0.4
353.08737	0.7
383.36597	0.3
435.08850	1.3
474.50485	0.2
499.12592	0.2
517.13812	0.3
691.18756	19.9
692.19305	0.6
717.33972	0.2
729.13861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64512	0.6
59.01376	13.0
61.98824	1.6
68.14408	0.6
71.01346	0.7
78.95885	27.1
80.02664	0.9
80.96509	4.2
81.03436	1.6
82.50432	0.8
83.05009	7.2
84.02151	2.6
105.90935	0.7
120.87614	0.7
125.00057	0.6
125.09690	0.8
135.08104	1.0
152.99547	2.8
163.11287	8.2
165.12816	4.0
168.04298	8.5
181.12335	0.7
191.10727	3.7
209.11823	100.0
210.12175	1.4
223.13322	1.0
224.06918	6.3
226.11963	2.6
227.12900	9.3
241.14417	10.4
243.32701	0.7
279.23285	70.7
280.23669	1.2
339.18463	0.7
351.84924	1.0
462.13693	0.7
504.30914	3.1
507.84418	0.7
530.52399	0.7
643.35736	0.9
655.77386	0.8
714.43524	92.4
715.43634	3.5
728.45276	7.2
788.38641	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	788.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97975	0.5
59.01377	10.4
61.98817	6.4
62.71200	0.5
69.28087	0.5
78.95884	13.7
80.96530	1.1
83.05035	1.2
93.03383	0.5
96.96909	0.5
141.89217	0.5
145.94101	0.5
152.99550	1.0
156.57826	0.5
163.11295	2.1
165.12801	0.8
168.04253	3.7
181.08653	2.1
191.05630	1.1
191.10687	0.7
209.11806	25.0
210.28035	0.6
218.26834	0.5
223.13486	0.6
224.06960	2.1
236.46001	0.6
241.14456	1.1
277.21753	2.9
278.22122	2.6
279.23264	100.0
280.23703	1.2
407.61957	0.6
422.60461	0.6
452.20850	1.0
454.31653	0.6
466.22592	0.6
485.37045	0.6
486.37012	0.8
615.72430	0.6
643.36511	0.7
714.43500	49.3
715.44281	2.3
728.44702	4.8
787.31866	0.6
788.39465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	25.5
61.98834	18.5
71.01379	14.2
73.02965	2.6
76.56255	1.9
78.98584	3.7
79.95721	17.4
80.96503	91.9
83.05017	25.0
85.02922	2.0
87.00868	3.4
87.16256	2.3
89.02426	2.0
94.68423	1.9
94.98086	16.0
97.03003	1.8
101.02399	4.2
102.71931	2.1
106.98069	3.8
109.06578	3.7
109.26768	2.2
115.92149	1.9
122.97554	2.3
125.02437	2.4
134.97583	5.0
135.08156	7.9
137.09680	2.9
147.61662	1.9
148.99117	8.6
152.98602	8.1
161.87247	2.1
163.07634	2.3
164.98598	16.8
181.08698	100.0
199.09776	5.0
206.99651	2.6
209.11627	4.9
225.00781	28.8
253.09267	11.8
277.18872	4.1
277.21701	81.4
406.77048	2.1
509.17401	2.6
787.24829	3.0
787.39294	89.4
787.53003	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	788.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
71.17995	0.8
75.08296	0.6
77.45808	0.7
78.95888	6.2
100.03074	0.8
115.92038	0.8
140.96722	0.7
152.99568	1.7
179.89185	1.0
196.89507	0.8
281.24811	5.8
290.61108	0.7
386.71701	0.8
455.35236	5.3
456.35464	1.5
515.73364	0.9
608.79993	0.9
728.45520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48225	7.9
78.95882	9.4
85.02924	14.9
86.83129	8.8
93.03458	15.4
114.01836	10.2
145.02931	12.0
191.05568	100.0
223.13440	12.9
250.52794	10.2
272.94424	9.8
332.32568	10.6
343.99875	9.6
515.23663	15.0
515.73651	12.7
751.40179	14.1
787.39563	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	787.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42556	8.2
59.01380	10.2
85.02950	13.8
93.03430	13.4
109.06548	8.3
161.37054	8.7
182.92198	8.2
183.13821	10.9
185.98654	8.2
191.05629	100.0
192.05989	8.7
209.11774	12.4
223.13216	29.4
294.12738	8.9
308.31296	8.4
334.24136	8.7
482.95813	8.7
556.10394	9.9
785.44257	11.2
787.41180	9.9
787.82831	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	787.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44176	1.1
56.21041	1.4
59.01374	21.6
61.98819	9.3
63.08397	1.2
71.01371	10.7
73.02946	2.5
73.48209	1.2
74.39158	1.2
78.95899	3.0
78.98600	6.1
79.95727	17.7
80.96503	94.4
81.03416	2.5
83.05013	20.0
85.02943	3.3
87.00876	5.1
89.02450	3.3
94.98052	20.3
96.96024	1.3
97.02930	2.0
101.02438	8.8
106.98076	6.3
109.06577	1.7
116.92839	1.6
122.97610	2.8
125.02412	1.5
134.97569	7.1
135.08153	7.5
136.05739	1.4
138.06905	1.3
147.70680	1.1
148.99155	10.9
152.98640	7.7
159.95442	1.2
163.07646	1.4
164.98598	19.8
181.08699	88.9
181.10291	3.3
191.05565	7.1
199.09738	2.6
206.99757	2.1
209.11888	6.0
225.00700	28.2
253.09198	9.5
258.01093	1.6
277.21704	66.7
346.64432	1.5
491.77576	1.8
509.16849	2.6
787.39368	100.0
788.39703	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	787.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
61.98837	3.1
64.40266	1.0
67.63757	1.0
71.01371	15.0
72.99304	1.9
73.02942	2.5
78.95882	1.3
78.98601	5.8
79.95731	17.8
80.96507	97.6
85.02962	5.1
87.00894	3.1
94.98071	20.5
95.35098	1.3
96.84268	1.3
97.02940	1.8
101.02416	8.9
102.12292	1.2
106.98082	5.7
113.02415	1.9
122.97555	4.5
125.02409	2.2
127.03947	1.6
134.97581	7.7
136.99110	2.3
148.99144	9.2
152.98584	7.7
152.99669	1.5
164.98586	16.6
168.92493	1.4
191.05562	12.2
201.11334	9.0
206.99670	5.1
209.11844	31.6
213.65628	1.2
225.00740	31.5
227.12881	3.1
249.18530	13.3
253.09146	5.1
277.21701	38.9
283.13309	1.3
339.07834	1.5
368.58771	1.5
509.17068	1.5
583.90436	1.4
787.39362	100.0
788.40088	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	787.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81424	0.3
55.01882	0.5
57.03429	0.7
59.01374	100.0
60.01693	0.3
60.24363	0.2
61.68242	0.3
62.20448	0.3
64.31766	0.3
65.00330	0.7
67.01881	0.8
71.01370	16.8
73.02932	12.8
79.27879	0.3
81.03448	0.5
83.01379	4.2
85.02934	10.1
85.03415	0.5
87.00856	4.1
89.02427	9.8
93.03426	9.0
95.01354	0.4
96.96000	0.3
99.00851	0.3
101.02423	15.0
102.74332	0.3
107.01374	1.4
109.02954	1.5
111.04504	2.1
112.74989	0.3
112.93648	0.3
113.02426	7.8
115.00360	0.7
119.03496	2.7
119.05015	0.6
125.02417	2.1
127.03996	2.5
129.01878	0.4
131.03467	0.7
133.02899	0.4
134.03690	0.4
135.04497	7.5
137.02428	1.3
143.03418	1.0
149.02449	0.3
149.04568	1.6
151.00334	7.0
155.03458	1.3
161.02464	1.5
161.04506	4.3
163.03978	1.2
173.04533	7.5
174.05013	0.4
179.03371	0.5
179.05603	0.6
191.05597	76.7
192.05885	2.2
203.03500	0.4
205.08655	0.5
240.07935	0.6
243.02745	0.5
266.09424	0.4
269.00897	1.3
280.07492	0.5
282.01590	0.4
285.03906	0.7
287.05508	2.4
295.13336	3.3
313.16629	1.9
323.12875	2.6
323.16574	1.3
331.17654	3.1
337.09195	3.5
353.08713	0.6
361.03741	0.5
373.03513	1.8
373.18689	14.0
389.03143	1.4
390.03983	0.4
418.03366	4.0
419.04294	1.6
439.13843	0.6
447.09299	0.5
449.10345	0.5
463.11063	0.4
727.15259	1.3
787.24658	11.8
788.24695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.8
61.98832	8.5
62.34147	1.4
64.33825	1.6
71.01357	12.4
75.64390	1.5
78.98586	8.1
79.95724	13.9
80.96504	95.1
80.96980	3.8
81.03452	2.2
83.04993	12.0
85.02934	6.7
87.00841	2.0
94.98071	19.5
97.02911	2.2
101.02418	3.3
103.02494	1.5
106.98061	2.4
122.97585	3.3
134.97563	9.6
135.08118	2.8
139.71935	1.8
148.99092	12.0
152.98605	7.9
164.98618	17.1
181.08696	52.4
191.05598	11.0
195.93362	1.7
197.11786	1.7
199.09691	2.4
206.99608	2.8
209.11777	12.5
225.00746	34.0
227.12869	1.9
253.09177	7.9
254.20177	1.8
277.21732	42.2
402.90881	2.3
470.66507	1.7
509.17169	3.7
710.97504	1.7
787.39392	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	787.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66755	25.0
83.49179	27.8
89.76141	26.1
102.27759	31.8
180.33810	29.5
191.05595	71.9
207.10277	100.0
225.11436	41.2
276.10626	33.0
288.38638	28.6
289.18240	44.4
407.13376	31.7
459.00031	29.3
500.73880	32.0
689.31482	35.0
751.38361	57.1
787.35785	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	787.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69154	6.4
59.01382	6.5
61.98836	9.2
62.48692	5.9
69.68971	6.6
81.45288	6.5
85.02951	8.8
87.00875	7.3
93.03471	18.0
121.13426	7.6
121.31618	7.1
163.80174	6.8
174.26186	7.2
181.32796	6.9
191.05597	100.0
192.05951	11.2
207.10240	11.5
225.11324	8.4
307.19241	8.9
314.16879	8.4
327.12994	7.6
529.25470	16.4
529.75720	17.0
530.25500	7.8
733.38708	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	787.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.3
68.86025	0.2
73.02941	0.3
76.59847	0.2
81.98862	0.2
83.05022	0.4
85.02948	0.3
86.41666	0.2
92.10061	0.4
93.03481	0.2
96.96000	0.4
99.00856	0.2
99.92566	7.8
100.49585	0.3
100.92626	0.2
101.52231	0.2
106.21067	0.2
116.92843	100.0
116.97210	1.2
117.01906	0.8
117.92870	1.8
140.95740	0.2
191.05629	1.6
193.12268	0.2
209.11832	7.0
225.14888	0.9
227.12856	0.4
253.09174	1.0
272.08658	0.2
315.17447	0.2
341.06393	0.2
341.23270	3.3
587.39642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01373	3.3
60.99282	0.5
67.01897	1.4
71.01357	3.5
73.02934	0.4
75.38322	0.3
81.03454	0.7
85.02935	7.5
87.00867	3.6
89.02415	0.6
93.03435	12.0
96.96007	1.6
99.00861	0.5
101.02410	0.6
107.05025	0.5
108.02154	3.3
108.63480	0.3
109.02917	3.7
110.43613	0.3
111.00890	0.8
111.04503	2.8
113.02458	0.4
115.00331	0.4
119.05003	2.6
121.02934	2.7
122.03732	1.5
123.04500	0.6
124.01648	6.1
125.02416	4.2
126.03236	0.8
127.03973	2.4
128.85515	0.4
133.02925	2.4
134.03722	6.6
135.04503	100.0
136.05240	1.7
137.02444	3.1
143.97179	0.5
145.02942	2.1
148.05296	2.3
149.02397	0.5
150.03183	5.8
151.03993	12.4
153.01932	0.4
155.03435	0.5
160.01659	0.8
161.02448	4.6
161.06232	0.4
162.03238	0.6
163.04002	3.2
163.07625	2.3
167.03534	0.4
173.04507	8.5
177.01906	6.5
178.02669	0.7
179.01886	0.9
179.03477	26.7
180.04198	2.1
181.05046	0.7
189.01884	2.5
191.05594	78.8
192.05954	0.7
201.01978	0.4
203.03432	0.6
216.00581	0.4
229.01430	1.3
251.07108	0.5
279.06500	0.7
280.07629	0.5
289.07162	0.4
290.07828	0.6
306.07620	1.5
307.05417	0.4
307.08307	7.1
308.05576	0.7
308.09000	16.8
319.06122	2.0
323.05612	1.9
323.13007	0.6
331.06198	0.5
333.03900	1.4
335.05579	2.0
337.09363	7.3
341.06769	0.7
352.07986	42.5
353.08630	3.3
395.50912	0.4
433.09781	0.5
443.07153	0.7
449.14441	0.6
454.99762	0.4
463.11276	0.6
485.08698	1.7
545.34668	0.6
569.13843	0.5
595.11810	1.4
690.18127	4.4
751.31555	1.4
787.24640	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	787.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.6
56.92370	0.4
57.03442	0.7
59.01377	7.7
60.59907	0.3
67.01900	2.1
69.03468	0.4
71.01371	6.5
71.01698	0.4
72.86029	0.3
73.02943	0.9
81.03446	0.9
83.01381	0.8
85.02940	14.2
87.00859	5.9
89.02443	2.0
93.03442	15.9
95.01375	0.4
96.96010	0.6
99.00848	0.5
99.04510	0.6
101.02413	3.7
109.02942	1.6
111.04517	3.5
113.02443	2.1
115.00374	2.0
119.03509	0.6
119.04954	0.5
123.08146	0.6
125.02428	0.7
127.03110	0.4
127.03996	3.2
133.02960	2.5
135.04520	2.9
137.02397	0.4
147.04538	0.4
149.02437	0.5
155.03482	1.5
159.04437	0.7
161.02412	0.6
171.02974	0.6
172.05283	0.9
173.04570	8.6
173.06007	1.0
174.88521	0.4
175.03961	0.6
175.07658	0.9
177.01871	0.9
177.12859	0.7
179.03630	0.5
187.04042	0.7
187.07651	9.5
188.04811	0.4
191.05606	100.0
192.06000	2.0
195.13918	0.5
199.04008	0.4
201.05582	0.6
213.09062	0.5
215.07167	2.9
217.08739	2.2
227.03511	1.7
228.04272	0.8
229.08701	0.5
231.10255	0.4
250.06401	2.2
257.08197	4.0
279.10272	5.9
289.05447	0.8
323.12967	3.1
327.04941	0.5
401.18176	20.3
403.11935	0.5
449.14499	1.8
463.11160	0.8
595.16779	0.8
613.19269	0.6
681.45905	0.4
716.32318	0.5
787.24518	22.0
788.24524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
59.01379	4.7
59.56064	0.3
67.01897	1.3
69.03456	0.5
71.01362	3.5
73.02924	0.4
73.27010	0.2
81.03431	0.5
83.05054	0.4
85.02940	13.6
87.00879	3.7
92.10095	0.4
93.03436	14.5
96.96009	0.6
99.04516	0.6
107.04996	0.4
108.02158	2.2
109.02956	2.0
111.04505	3.0
113.02468	0.4
117.03555	0.3
119.05000	2.5
121.02953	1.9
121.06545	0.6
122.03807	0.3
123.04541	0.4
124.01627	3.8
125.02374	3.1
126.03215	0.6
127.03989	3.2
129.01945	0.4
132.02188	0.6
133.02953	0.7
134.03732	4.5
135.04506	73.3
136.05200	1.4
137.02449	2.1
145.02917	0.8
146.05859	0.4
147.04565	0.3
148.05257	0.3
150.03238	4.0
151.00395	0.3
151.03992	8.9
155.03586	0.5
160.01634	0.7
161.02417	2.4
162.03169	0.4
163.03998	3.6
167.03497	0.5
171.02980	0.7
173.04523	6.5
175.04105	0.4
178.02663	0.5
179.03487	18.0
180.04266	1.5
187.07500	0.3
189.05484	0.3
191.05611	100.0
192.05927	1.4
194.02283	0.4
225.05550	0.6
226.06339	1.3
251.07233	0.6
279.06522	1.5
285.04062	0.3
290.07932	0.6
304.83987	0.3
307.08194	4.1
308.08990	10.1
323.13080	0.5
337.09253	6.2
352.07990	22.0
353.08655	0.6
463.70441	0.4
524.47699	0.3
690.18762	2.2
784.03107	0.4
787.24426	24.3
788.24994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.6
56.92370	0.4
57.03442	0.7
59.01377	7.7
60.59907	0.3
67.01900	2.1
69.03468	0.4
71.01371	6.5
71.01698	0.4
72.86029	0.3
73.02943	0.9
81.03446	0.9
83.01381	0.8
85.02940	14.2
87.00859	5.9
89.02443	2.0
93.03442	15.9
95.01375	0.4
96.96010	0.6
99.00848	0.5
99.04510	0.6
101.02413	3.7
109.02942	1.6
111.04517	3.5
113.02443	2.1
115.00374	2.0
119.03509	0.6
119.04954	0.5
123.08146	0.6
125.02428	0.7
127.03110	0.4
127.03996	3.2
133.02960	2.5
135.04520	2.9
137.02397	0.4
147.04538	0.4
149.02437	0.5
155.03482	1.5
159.04437	0.7
161.02412	0.6
171.02974	0.6
172.05283	0.9
173.04570	8.6
173.06007	1.0
174.88521	0.4
175.03961	0.6
175.07658	0.9
177.01871	0.9
177.12859	0.7
179.03630	0.5
187.04042	0.7
187.07651	9.5
188.04811	0.4
191.05606	100.0
192.06000	2.0
195.13918	0.5
199.04008	0.4
201.05582	0.6
213.09062	0.5
215.07167	2.9
217.08739	2.2
227.03511	1.7
228.04272	0.8
229.08701	0.5
231.10255	0.4
250.06401	2.2
257.08197	4.0
279.10272	5.9
289.05447	0.8
323.12967	3.1
327.04941	0.5
401.18176	20.3
403.11935	0.5
449.14499	1.8
463.11160	0.8
595.16779	0.8
613.19269	0.6
681.45905	0.4
716.32318	0.5
787.24518	22.0
788.24524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01363	2.9
60.99314	0.5
65.00315	1.3
67.01868	2.1
68.67164	0.2
69.03447	0.6
70.53084	0.2
71.01376	3.0
71.04980	0.2
73.02927	0.3
75.28207	0.2
75.78940	0.2
81.03457	1.3
83.01398	1.4
83.05032	0.7
85.02940	9.1
85.03423	0.5
87.00862	5.2
89.02448	0.3
91.14079	0.3
92.62157	0.3
93.03435	17.8
96.96000	1.4
97.02935	1.8
99.00864	1.7
99.04475	0.4
101.02434	0.7
107.01384	1.9
108.02176	1.8
109.02939	6.3
111.04515	3.9
113.02422	0.9
115.00258	0.3
120.09030	0.2
121.02918	2.3
123.04492	0.6
125.02422	11.8
127.03983	2.9
129.01912	0.3
133.02951	1.7
133.06868	0.6
135.04507	1.6
137.02431	9.0
139.03963	1.1
145.03009	0.3
146.03732	0.4
147.04512	0.3
148.01642	2.2
149.02441	6.3
151.00365	8.4
151.04007	1.4
153.01904	2.9
154.47865	0.3
155.03505	1.2
161.02414	1.2
163.00420	0.3
163.04013	0.4
163.60738	0.3
164.04778	1.2
165.01907	4.8
167.03462	0.6
169.01408	4.6
171.02972	0.6
173.04544	8.7
173.05946	0.5
174.03200	1.3
175.00311	1.2
175.03946	0.7
175.07600	1.6
176.04779	2.5
177.01863	0.3
177.09209	2.9
178.99791	2.0
179.03445	0.3
179.10736	0.4
181.01434	0.5
183.02969	11.5
183.04578	0.5
187.04060	0.7
187.07652	5.3
188.04829	0.4
189.05739	0.4
190.06281	0.4
191.05603	100.0
192.05887	2.1
192.99785	0.5
193.01416	8.7
193.06065	0.3
199.03990	1.5
201.01883	0.3
201.05365	0.3
202.06329	1.6
203.07140	2.3
204.07870	0.3
205.05385	0.3
205.08702	2.5
208.03799	1.1
209.00941	5.5
213.09125	0.6
215.07199	0.5
219.10335	0.4
223.06102	1.5
227.03580	0.5
228.04292	0.5
229.01320	1.1
229.05011	0.3
229.08861	0.3
231.10257	2.2
233.08334	1.0
235.62900	0.3
240.04338	0.4
249.11304	3.6
251.03629	0.4
257.04611	0.4
257.05429	0.4
257.08176	4.1
261.06161	0.4
262.45108	0.3
265.05136	0.4
268.18616	0.3
271.08231	1.7
275.09207	1.3
291.02853	0.3
293.04501	1.1
300.02924	0.4
301.03467	2.6
319.04633	10.2
321.04095	1.3
337.03690	0.4
339.05209	0.7
351.06976	0.5
383.13922	0.5
385.11133	0.4
449.14462	1.4
467.15591	36.4
468.15829	0.6
511.08664	0.6
513.09998	0.4
539.01489	0.3
704.98682	0.3
787.25006	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	786.457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31569	0.8
59.01377	16.8
61.98836	3.8
62.47660	0.7
71.01368	1.1
78.95888	25.8
80.02672	1.3
80.96488	7.5
81.03440	1.9
83.01379	1.4
83.05020	9.5
84.02153	1.7
85.02945	1.5
94.98099	1.3
95.04961	0.9
135.08089	0.8
144.89772	0.9
152.99544	3.9
163.11252	7.3
165.12798	1.7
168.04288	6.6
171.10109	1.2
177.96687	0.9
188.42232	1.0
191.05580	7.0
209.11816	100.0
215.03362	0.9
223.13332	1.7
224.06898	5.8
225.00650	1.1
226.11929	1.9
227.12935	10.1
228.78403	0.9
241.14455	10.6
277.21701	58.2
283.13147	1.1
502.29181	4.4
641.35614	1.3
676.23602	1.1
712.41956	94.0
713.42462	4.8
726.43573	5.7
787.39178	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	787.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44575	0.3
61.53222	0.3
78.95898	0.8
79.95726	3.0
85.02946	1.7
93.03455	1.9
96.95993	100.0
99.50681	0.4
108.02154	0.7
119.55186	0.4
147.04564	0.7
151.38673	0.4
152.01125	1.7
157.02895	0.5
163.03937	0.7
173.02408	2.5
173.04498	1.7
174.03220	0.7
175.03920	1.8
185.02431	0.6
187.04018	0.6
191.05600	14.7
199.03984	0.4
201.01932	3.7
203.03514	0.9
213.02019	0.6
215.03389	0.4
216.00728	0.5
219.03082	0.9
227.03432	1.5
229.01363	0.6
231.02771	0.8
241.01221	0.6
243.02954	0.8
255.02950	1.7
257.00854	1.6
259.02466	0.8
299.01828	0.8
317.03070	4.1
335.04001	0.8
355.10297	0.5
370.39212	0.4
373.36383	0.4
447.11041	0.6
449.06903	0.5
488.09775	0.5
491.07907	0.9
509.09363	12.7
547.04047	0.4
625.89301	0.5
791.45233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28398	0.6
59.01373	11.9
61.98825	2.9
66.80602	0.5
71.01373	0.7
78.95887	19.8
80.60316	0.6
80.96508	3.5
83.05017	2.2
85.02903	0.7
114.20204	0.6
116.92811	0.8
124.99994	0.7
130.92570	0.6
152.99532	2.9
163.11215	3.2
165.12830	2.7
168.04335	6.1
171.10173	0.8
186.24867	0.6
191.05592	5.1
191.10844	0.9
203.00969	0.7
209.11832	35.3
224.06906	2.9
227.12869	2.3
227.39262	0.6
241.14468	3.2
273.71234	0.6
277.21707	100.0
278.22092	1.5
302.27554	0.7
396.83286	0.7
452.20511	2.7
667.36322	0.8
712.41949	69.2
713.42371	3.7
726.43445	6.4
727.38800	1.1
787.38495	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	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72079	0.1
56.31638	0.1
59.01375	0.1
61.98829	100.0
69.03026	0.1
80.96501	0.4
81.90375	0.1
83.05029	0.2
85.78917	0.1
86.15924	0.1
90.81406	0.1
92.10870	0.3
98.21348	0.1
114.37145	0.1
203.22672	0.1
209.09894	0.2
209.11818	2.7
210.12152	2.0
211.12381	0.6
212.12439	0.1
218.76642	0.1
236.72639	0.1
253.09227	0.1
277.21811	0.9
278.22107	1.0
279.22406	0.5
398.21024	0.1
470.60703	0.1
581.37463	0.1
786.38367	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	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81606	0.1
60.43164	0.1
61.98823	100.0
71.01358	0.2
71.03004	0.1
71.05747	0.1
80.96496	0.3
209.11891	1.7
209.69308	0.1
210.12186	1.1
211.12338	0.3
277.21677	1.5
278.22061	1.9
279.22391	0.9
735.93463	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81893	0.3
59.01378	2.0
61.98829	100.0
69.06292	0.2
71.01383	1.4
73.02953	0.3
78.62015	0.2
81.20056	0.2
85.02939	0.4
87.00845	0.4
89.02424	0.9
92.10893	0.6
97.06563	0.3
101.02416	1.8
112.23937	0.3
113.02451	0.5
116.92826	1.4
125.18113	0.2
129.64111	0.2
138.97366	0.3
150.57544	0.2
153.60298	0.2
161.04468	0.5
165.12854	3.4
177.26849	0.2
179.93484	0.2
183.13879	21.9
209.11862	1.0
227.12830	0.6
235.08287	0.3
253.09311	1.5
259.26611	0.3
277.21698	33.9
278.21942	1.0
372.22885	0.3
463.22089	0.4
500.85474	0.4
547.49316	0.3
723.43231	43.2
724.43677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.0
61.98830	10.3
62.92341	1.0
64.34328	1.0
69.69585	1.1
71.01384	1.5
82.61279	1.1
84.73613	0.9
87.00861	1.0
89.02411	1.7
89.06483	0.9
101.02391	1.2
116.92909	1.3
153.69116	1.0
169.12305	5.4
189.02087	1.1
197.11813	100.0
209.11755	1.4
222.40050	1.1
226.06580	1.2
249.48114	1.0
253.09198	2.5
277.21698	55.9
279.23257	2.5
282.06937	1.1
433.20844	13.4
434.50986	1.3
455.35583	1.3
537.66974	1.2
614.92175	1.5
625.15692	1.3
785.40857	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	786.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36689	0.1
59.01386	0.6
67.01877	0.2
71.01371	0.3
81.03458	0.2
83.05016	0.2
85.02431	0.2
85.02935	6.1
87.00853	1.3
93.03433	2.9
109.02923	0.3
111.04524	1.0
127.03995	1.8
133.02943	0.9
135.04474	0.3
140.08589	0.1
161.02432	3.3
167.35742	0.1
171.02969	0.6
173.04512	1.5
179.03455	0.2
191.05602	100.0
192.05940	1.7
223.71553	0.2
281.04382	0.2
337.09363	0.3
338.10062	0.2
343.65604	0.2
353.08780	14.4
354.09213	0.3
433.47430	0.2
658.00555	0.2
665.54645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50864	0.2
59.01379	1.0
61.98825	100.0
65.33294	0.2
71.01376	0.3
78.95920	0.4
80.96513	1.1
83.05022	0.3
92.10775	0.3
95.51846	0.2
119.01170	0.2
191.05624	0.3
209.11845	4.8
210.12120	1.8
226.11569	0.3
227.12878	0.5
253.09225	0.3
277.21704	3.8
278.22076	1.6
306.20828	0.2
574.62347	0.2
784.41974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
70.07910	0.1
77.02629	0.1
91.11609	0.1
92.10160	0.5
92.64626	0.2
103.54977	0.1
109.06540	0.1
132.05829	0.1
153.30141	0.1
187.77666	0.1
207.10220	0.7
208.10611	0.2
233.36589	0.2
277.21655	0.7
278.21957	0.7
279.22290	0.3
290.43585	0.2
453.33130	0.2
464.90671	0.2
724.43512	0.2
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	Isoorientin 7-O-(6'''-O-(E)-feruloyl)glucoside
Peak:m/z	Relative Intensity
59.01388	0.9
71.01340	0.5
85.02949	5.6
87.00878	2.2
93.03454	3.0
95.01352	0.5
104.36471	0.5
107.01373	0.5
109.02950	3.3
109.61081	0.4
111.04501	0.6
119.05010	0.8
121.03022	1.6
125.02457	1.1
127.03981	0.7
133.02930	13.5
135.04524	0.9
137.02399	0.7
139.01126	0.5
145.02960	1.0
149.02435	0.8
151.00433	1.0
161.02425	3.2
161.03632	0.4
163.00369	4.1
163.03998	4.1
165.01924	2.6
169.09984	0.5
173.04575	1.0
175.03983	5.1
177.01956	2.1
179.03474	0.7
181.00385	0.5
191.05603	74.9
192.05951	2.2
193.01389	1.0
193.06081	0.5
197.05939	0.6
198.03221	0.7
199.03984	2.2
201.01935	1.1
203.03471	0.9
205.01549	0.5
211.04092	0.6
213.05565	0.9
217.05045	0.6
219.70975	0.5
222.84796	0.4
225.05559	1.1
227.03384	0.7
227.07123	0.6
229.01532	0.6
229.05023	0.5
241.05099	1.2
253.05093	2.2
255.03102	1.5
255.06364	0.6
267.06738	0.7
269.04587	3.1
271.06104	0.6
284.03247	10.8
285.04037	22.5
297.04025	31.1
298.04803	22.1
299.05597	18.1
299.08176	0.5
309.03958	0.9
311.05646	7.0
324.02618	2.2
325.03506	2.6
325.07126	0.6
327.05087	75.7
328.05423	0.9
330.03647	0.6
337.09344	13.6
339.05078	8.9
341.06509	2.5
357.06161	61.1
358.06595	0.5
369.06189	3.2
399.07217	0.6
411.07288	0.9
429.08295	5.6
447.09332	100.0
448.09906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03452	0.3
59.01379	3.6
61.98843	0.3
71.01378	2.5
72.99311	0.1
73.02966	0.7
78.95915	0.2
78.98596	0.2
79.95747	0.8
80.02678	1.3
80.96511	4.8
80.96970	0.2
81.03432	1.0
83.01380	0.5
83.04286	0.1
83.05026	4.8
83.05497	0.2
84.02171	1.1
85.02945	1.0
87.00881	0.3
87.37452	0.1
88.73185	0.1
89.02432	2.2
89.02883	0.1
94.98066	1.2
95.01401	0.2
95.05015	0.6
97.02917	0.2
101.02429	2.3
106.98040	0.1
107.42174	0.1
109.06591	0.2
113.02440	1.6
119.03488	0.5
122.97574	0.2
125.02462	0.2
125.06069	0.5
125.09705	0.1
126.82625	0.1
134.97572	0.2
135.08144	0.6
144.61507	0.1
147.11766	0.2
148.99153	0.4
152.98602	0.5
161.04555	1.0
163.11273	4.6
164.98608	0.8
165.12836	2.8
179.05563	0.2
181.12346	0.7
191.10756	1.5
209.11827	100.0
210.12166	1.5
225.00768	1.8
227.12877	7.8
235.08231	1.1
253.06645	0.2
253.09276	6.2
264.21353	0.1
275.19852	0.1
277.21701	46.7
278.21973	1.2
325.45499	0.1
445.20834	1.7
463.22238	0.2
483.16006	0.2
739.39319	0.6
765.56049	0.1
783.41937	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
59.01369	5.6
59.01632	0.3
68.18742	0.2
69.08727	0.2
71.01372	3.1
73.02943	0.6
74.38023	0.2
76.39809	0.2
76.50658	0.3
76.51093	0.3
80.02694	1.0
80.96516	0.4
81.03468	0.6
83.01397	1.0
83.05008	2.7
84.02146	0.3
85.02956	1.1
87.00865	0.6
89.02427	2.6
93.05518	0.3
97.02922	0.3
101.02410	2.4
113.02454	1.4
119.03505	0.3
125.06081	0.3
143.03470	0.3
145.05086	0.3
147.11783	0.2
161.04546	1.2
163.11261	3.3
165.12798	1.0
181.12347	0.3
191.10815	0.4
209.11818	63.8
210.12109	1.2
227.12859	7.2
234.92282	0.3
235.08232	4.2
253.09294	7.7
277.21707	100.0
278.22070	2.5
319.51703	0.3
506.90863	0.3
513.30719	0.4
538.71600	0.3
783.41992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81907	0.1
59.01373	0.3
59.01994	0.1
61.98828	100.0
84.44707	0.1
97.02914	0.1
109.06602	0.5
163.11354	0.2
164.11635	0.2
175.00473	0.2
195.05862	0.1
207.10329	1.0
208.10611	1.0
268.74411	0.2
277.21655	0.3
278.21988	0.6
279.22412	0.3
351.38431	0.2
370.55865	0.2
445.78821	0.1
463.21530	0.1
584.39984	0.1
724.42029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.42
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42849	1.0
59.01377	5.4
59.71210	0.8
61.98822	6.2
71.01373	10.7
72.64732	0.9
73.02928	3.9
78.95894	4.9
78.98571	8.1
79.95721	14.3
80.96501	89.3
81.03436	1.4
83.05013	1.9
85.02915	3.5
87.00858	3.8
89.02418	1.3
94.98066	23.0
96.96947	1.4
97.02956	1.9
99.00905	1.0
101.02409	6.9
106.98069	4.4
122.97547	4.4
125.02425	6.9
134.97563	9.3
136.99112	1.6
148.99121	10.4
152.98601	10.5
163.11267	2.0
164.98605	19.1
165.12825	1.4
191.10574	1.3
201.11259	1.8
206.99658	5.1
209.11830	58.6
210.12047	1.2
219.93317	1.0
225.00729	35.8
227.12854	4.8
235.08182	1.2
241.01291	1.7
253.09329	5.4
255.23285	2.4
277.21704	67.0
278.22137	1.3
426.51474	1.2
445.20609	1.1
463.21698	1.2
483.15674	4.1
527.18066	1.9
537.27521	1.6
739.39331	5.2
762.58234	1.1
765.40948	2.0
783.42053	100.0
784.42017	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	783.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98828	8.1
71.01370	10.7
71.85358	1.2
73.02942	1.4
78.98592	6.6
79.95727	11.5
80.96506	78.9
85.02946	2.2
87.00854	3.0
94.98066	18.2
99.92513	1.4
101.02451	2.2
106.98062	2.1
119.29947	1.4
122.97517	1.7
125.02386	2.8
134.97562	7.1
148.99141	6.8
152.98604	7.3
164.98634	16.1
167.00058	1.3
167.46652	1.3
182.35405	1.6
184.69676	1.3
201.11301	1.8
206.99715	2.8
207.10260	1.7
209.11823	11.2
212.50581	1.3
220.66147	1.7
221.21973	1.2
225.00735	31.0
227.12894	11.6
253.08926	1.2
255.23367	1.7
277.21695	17.2
278.21597	1.5
457.13586	1.6
483.15335	5.0
527.17944	2.5
739.39648	7.6
783.42047	100.0
784.42920	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	783.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.7
61.98821	4.7
71.01363	7.9
73.02943	1.5
73.80757	0.9
78.95908	3.8
78.98576	3.9
79.95701	6.4
80.02699	0.9
80.42699	0.8
80.96503	59.6
81.03449	1.7
83.05024	4.1
85.02947	4.6
87.00829	1.6
88.07965	0.9
89.02431	1.9
94.98063	12.3
96.96902	1.1
97.02917	1.2
101.02414	4.4
106.98066	1.6
113.02435	1.6
116.92839	3.4
122.97568	4.0
125.02409	3.5
125.06121	1.0
134.97540	5.7
148.99133	5.7
152.98569	5.2
152.99655	1.2
153.89085	1.0
161.02357	1.1
163.11220	5.6
164.98610	11.3
165.12773	2.0
191.10742	1.0
206.99561	1.8
209.11819	100.0
210.12106	1.4
225.00728	20.4
227.12846	8.1
235.08241	1.9
253.09328	5.8
255.23183	4.0
277.21704	62.9
278.22012	1.1
310.78592	0.9
339.20810	1.1
419.62924	0.9
436.82965	0.9
445.21051	1.4
483.15378	1.6
527.17853	1.3
537.27618	1.2
619.40814	1.4
739.39063	4.5
767.06744	0.9
783.41919	63.7
784.42651	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	781.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06010	74.1
72.64362	86.6
83.53004	81.0
87.65275	85.4
95.70582	78.7
97.70403	82.7
169.80240	100.0
195.06360	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
73.75410	0.4
76.00900	0.5
80.96530	0.6
85.42081	0.4
89.94801	0.4
92.10809	0.7
99.27051	0.5
223.13383	0.9
224.13834	0.6
277.21747	0.7
512.79901	0.5
613.52917	0.5
782.41675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
58.49524	0.2
59.01368	6.0
63.02393	0.4
65.00322	0.4
71.01365	2.7
73.02938	0.3
78.73955	0.2
78.74442	0.1
83.01381	1.1
85.02947	1.2
86.05813	0.2
87.00884	0.2
89.02421	3.0
92.10822	0.2
93.03452	0.7
95.01363	0.3
99.00842	0.2
101.02422	2.4
107.01362	2.5
108.02163	1.0
109.02927	1.0
111.00852	0.2
111.08130	3.7
113.02415	1.5
119.03511	1.5
121.02941	1.9
135.00922	0.3
135.04514	1.5
139.07617	1.1
144.48367	0.2
148.01614	1.0
149.02377	0.3
151.00348	11.4
152.01031	0.2
154.99829	0.2
157.08670	13.2
159.04373	0.2
161.02376	0.2
162.93895	0.2
163.00360	2.5
164.01050	0.3
169.01341	0.3
177.05406	0.2
178.99843	4.0
185.06010	0.2
187.04010	0.3
190.02745	0.2
191.05591	3.0
192.00555	0.3
193.01250	0.2
199.04005	0.3
199.09688	0.3
201.05548	0.4
203.03549	0.2
211.03972	0.8
214.09889	0.2
215.03497	0.3
216.04326	0.3
226.02725	1.9
227.03484	2.8
229.05098	0.4
243.02954	8.2
244.03593	0.3
245.04520	1.0
254.02208	2.2
255.02968	24.5
256.03403	1.0
257.04468	0.3
271.02451	51.1
272.03024	2.4
273.03986	0.8
283.02444	0.8
285.04080	0.3
286.04282	0.4
287.05420	0.7
299.01999	0.9
300.02731	100.0
301.03488	30.2
302.03879	0.2
319.13965	24.2
463.08820	82.3
464.09027	1.7
535.38538	0.2
542.84198	0.2
783.26770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50970	0.8
59.01376	5.9
61.98815	1.4
62.27044	0.8
63.59504	0.8
64.33058	0.8
64.61187	0.8
71.01373	4.2
72.28777	0.9
78.44336	1.1
78.95889	39.3
78.98570	1.4
79.95737	2.2
80.02662	1.5
80.96500	27.5
81.03447	1.7
83.05027	5.9
83.72906	0.9
84.02178	0.8
87.00857	1.1
94.98062	5.6
96.96934	12.0
97.02956	1.9
101.02439	2.2
102.32545	0.9
103.84082	0.9
108.83976	1.0
109.06551	8.5
135.08183	1.2
148.99139	1.9
152.98656	1.6
152.99576	11.7
163.11269	11.1
164.98602	5.3
165.12843	3.6
181.12340	1.6
189.09248	1.2
207.10260	27.1
209.11821	53.7
215.67844	0.9
223.00136	2.0
225.00742	9.9
225.11365	9.7
227.12857	2.1
241.01173	24.2
253.09056	1.5
255.23257	37.0
256.23587	1.3
259.02194	2.0
277.21692	26.8
315.04877	1.4
363.11765	1.1
443.19006	1.7
461.20273	1.9
516.09375	1.2
533.48053	1.0
563.05615	1.2
721.41443	9.6
721.90417	1.2
763.39099	4.6
781.41217	100.0
782.41174	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.4
61.98828	3.7
66.50061	0.8
71.01370	9.0
73.02924	1.6
78.95885	37.2
78.98569	1.5
79.95722	5.4
80.02650	1.2
80.96501	31.4
81.03452	1.4
82.99499	0.8
83.05032	3.8
84.95103	1.1
85.02936	2.0
87.00879	1.6
89.02439	1.8
92.62251	0.9
94.98058	6.4
96.96935	10.6
97.02914	8.6
99.00861	8.2
101.02425	5.5
109.06565	9.8
110.03700	1.1
113.02424	1.8
125.02419	1.0
125.09716	1.7
134.97502	1.9
135.08105	3.4
140.54462	0.9
142.02676	3.1
148.99117	1.4
152.98564	1.4
152.99564	10.3
163.11258	18.4
164.98592	6.0
165.12822	1.3
179.10860	1.4
181.12315	21.2
189.09105	0.9
199.13400	1.6
207.10239	81.6
209.11818	49.3
223.00104	2.2
225.00777	8.3
225.11301	93.9
226.11586	1.8
227.12970	1.3
235.08150	1.8
241.01163	22.3
243.12386	10.2
253.09221	5.7
255.23241	29.0
263.14102	1.1
277.21680	100.0
278.21835	1.3
299.15002	1.2
315.04770	1.0
410.29514	1.1
443.19247	4.8
461.20261	34.8
553.28381	1.1
654.68359	1.1
721.41638	42.2
721.54810	1.4
722.41986	1.2
728.08063	1.0
763.39764	6.7
781.41125	89.4
782.41223	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	781.201
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	45.1
95.48519	0.1
96.96066	4.2
96.96947	100.0
105.11071	0.1
127.27763	0.1
128.73743	0.1
136.61055	0.1
154.26593	0.1
171.72421	0.1
209.06778	0.1
217.97371	0.2
341.10901	0.2
401.33630	0.2
439.08557	20.6
440.09229	0.2
446.39377	0.1
744.66040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18906	0.1
57.88578	0.1
59.01360	0.2
59.35484	0.1
60.20919	0.1
65.30102	0.1
67.17686	0.1
78.95892	42.5
89.02428	0.1
96.96942	100.0
114.60849	0.1
210.72441	0.2
240.00751	0.1
271.29593	0.2
301.74518	0.1
308.04907	0.2
317.69827	0.1
319.37372	0.2
371.14404	0.2
385.20480	0.1
439.08566	21.2
626.81348	0.2
641.17621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50370	0.2
59.01376	100.0
60.29612	0.2
61.98823	0.2
71.01377	0.9
71.05012	0.4
79.24458	0.2
85.02937	0.7
88.98765	0.4
89.02417	0.3
93.03447	0.2
97.02916	0.2
101.02404	0.8
104.79861	0.2
113.02407	0.4
116.92838	1.1
117.92831	0.2
131.79677	0.2
135.04539	0.2
138.06575	0.2
161.04521	0.3
191.05560	1.2
193.56570	0.2
209.11792	0.4
211.67641	0.2
221.06725	0.3
237.41747	0.2
329.23093	0.2
335.23917	0.4
336.66934	0.2
353.24948	0.2
425.30588	0.3
455.31845	0.8
468.60263	0.2
501.31540	0.2
512.80719	0.2
515.33746	7.8
516.34406	0.2
626.48224	0.2
739.35175	0.2
781.38129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22488	3.3
58.40456	2.8
61.98834	6.8
70.01425	3.5
76.53448	3.4
77.76257	3.2
83.84395	3.1
87.32695	3.8
92.10907	8.6
106.19121	3.4
191.05591	4.5
201.11317	23.6
207.10336	6.8
209.11775	34.9
219.42136	3.7
225.11482	4.8
227.12766	8.6
232.75664	3.4
235.08209	5.9
253.09172	8.2
277.21695	100.0
307.04489	4.0
381.36264	3.6
450.56378	3.9
697.41040	5.0
723.42810	14.9
777.41815	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	779.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	21.2
69.03468	1.3
71.01372	3.3
72.11297	0.7
74.27964	0.8
78.95882	0.7
89.02429	0.9
101.02434	2.9
109.06616	1.1
116.92826	0.9
167.10718	0.7
179.14372	1.9
195.13890	5.5
205.12286	4.9
223.13377	37.1
228.13499	0.9
231.25917	0.9
235.08185	3.4
245.21254	0.8
253.09349	7.4
277.21683	100.0
278.21948	1.4
380.14929	0.8
406.27802	0.8
438.93118	1.1
441.21408	1.8
459.22324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62945	0.2
65.13754	0.3
69.36469	0.2
71.05019	2.6
83.05006	0.3
84.09276	0.3
84.20228	0.3
93.03453	0.5
119.82479	0.3
121.10200	1.3
128.60706	0.3
141.51157	0.2
161.60590	0.3
170.05467	0.3
170.70299	0.3
171.10197	2.1
182.72049	0.3
191.05638	3.0
221.15448	0.3
275.20169	4.4
293.21222	8.1
377.28439	1.3
393.31757	1.7
403.30115	0.6
421.31305	0.5
423.32852	2.8
425.30667	2.0
437.30643	1.4
439.31882	0.4
441.33749	0.6
467.31662	18.2
485.32718	100.0
486.32852	4.2
537.25140	1.2
598.14520	0.3
814.84888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95888	47.9
92.10150	8.7
96.96929	4.0
114.36902	2.7
129.09216	3.1
132.70689	2.2
152.99579	62.0
169.12372	3.0
171.00600	5.7
181.12279	2.7
182.50203	2.3
193.12407	2.5
197.10204	2.4
197.11804	24.0
199.13312	3.4
211.13322	20.2
224.45811	2.5
227.03203	4.8
253.21712	12.8
255.23285	83.9
293.21185	9.5
309.20645	10.0
311.22287	24.2
314.35300	2.7
381.70169	2.8
489.49487	2.4
539.26257	51.9
775.47534	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	775.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	100.0
75.73438	0.6
76.35541	0.7
83.66640	0.6
94.18367	0.7
145.36493	0.7
174.09579	0.6
212.09190	0.8
214.83099	0.7
355.51337	0.8
572.12720	0.9
578.08521	0.8
692.63885	0.7
728.16132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96133	13.6
96.96024	86.1
110.06689	13.6
159.04480	17.5
167.14491	14.3
176.51404	15.3
180.95862	18.4
191.05566	100.0
224.09265	14.4
225.95763	16.1
228.37718	16.4
230.97394	21.1
284.98413	14.4
321.99332	59.8
323.00040	60.9
325.01697	22.5
338.99411	28.8
341.01111	95.5
356.00125	18.4
385.00076	16.6
398.00818	23.0
590.03064	26.9
621.04388	15.7
635.03528	16.9
732.10455	18.7
776.09009	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19604	1.0
59.01387	17.2
61.98836	1.7
68.59354	1.1
68.63596	1.5
69.03478	2.1
71.01380	5.6
80.02660	1.8
81.01204	1.1
81.03457	3.1
83.01382	2.2
83.05025	8.2
85.02948	1.9
86.64980	1.3
88.98811	2.0
89.02432	4.9
97.02928	5.7
101.02425	7.0
109.02953	1.6
109.06583	17.7
110.03847	1.3
125.06063	1.4
125.09682	5.1
135.08144	3.1
142.02687	2.2
161.04558	2.4
161.09724	2.0
163.11256	20.7
165.12939	4.3
171.10158	1.9
179.10718	1.8
181.12308	5.2
191.05588	8.0
191.10786	3.2
191.41455	1.7
207.10251	83.0
209.11835	100.0
221.11813	2.7
225.11296	22.1
227.12869	8.3
235.08128	2.4
239.12878	25.2
253.09236	13.5
271.15393	9.9
273.17059	75.8
443.19077	2.1
445.20657	1.9
461.20453	7.1
507.64859	1.4
509.25684	2.1
599.24323	1.5
617.92841	1.6
699.35181	2.2
717.37335	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	775.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54019	3.6
61.98819	3.8
67.48226	3.4
85.02975	4.0
90.47546	4.2
123.58862	4.7
171.10332	4.9
191.05597	20.8
209.11830	77.3
227.12863	18.7
253.09288	14.9
275.20169	4.5
293.21185	100.0
775.40155	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11298	1.5
59.01389	3.5
61.98840	4.2
62.08480	1.9
71.01379	3.3
75.37460	1.7
77.77084	1.6
88.55542	1.7
89.02457	2.0
92.10137	4.1
96.10225	1.6
101.02443	3.3
104.95864	1.8
109.06574	4.4
142.02657	2.1
149.18416	2.1
158.55740	1.6
163.11218	10.3
171.10199	10.3
172.13275	1.8
175.14847	1.8
178.37103	1.6
179.10689	1.9
181.12321	2.1
197.11786	3.0
199.09737	9.7
207.10255	31.2
225.11307	53.3
235.08221	8.1
253.09262	11.9
277.21701	100.0
306.25238	1.7
379.81210	1.9
443.19229	9.0
461.20319	15.7
513.30762	2.9
694.49286	2.0
695.40210	29.4
721.41687	49.7
739.42389	2.9
775.40692	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.0
61.98834	4.2
67.67303	1.8
71.01376	2.5
76.56445	2.3
98.07801	1.9
101.02457	4.0
109.06573	4.0
113.02415	2.1
163.11267	10.9
163.81206	2.3
171.10229	26.7
182.79732	2.5
189.09186	2.3
199.09770	26.5
207.10248	33.7
209.11760	9.4
225.11346	31.3
253.09288	12.0
277.21719	100.0
280.23224	2.1
435.18643	2.9
443.19089	8.7
458.61548	2.2
461.20010	4.4
695.40063	42.9
697.23077	2.8
721.41608	40.3
773.64276	2.5
775.40649	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	775.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03437	1.7
58.00589	0.9
59.01372	100.0
67.04318	0.9
71.01367	53.2
71.01747	1.8
72.99303	4.3
74.99661	0.8
78.72001	0.7
85.02937	11.8
87.00871	1.8
89.02425	57.0
90.65450	1.0
93.03439	2.0
95.01382	1.8
99.75437	0.8
101.02425	20.4
109.02951	3.8
113.02435	18.3
119.03482	20.0
121.02950	3.9
122.03730	3.7
123.00847	1.0
123.04512	1.0
125.02437	1.5
134.03741	1.2
135.04491	4.1
136.01634	8.6
137.02426	10.0
143.03481	2.1
149.02419	8.0
149.04518	1.6
150.03206	32.0
151.00334	2.0
151.03984	11.8
153.01903	1.6
161.04483	3.4
162.03201	3.4
163.03984	1.8
164.04759	1.9
165.01897	36.9
165.05539	26.7
166.02669	12.4
167.03441	1.7
175.03955	1.7
177.01874	3.6
177.05464	1.7
179.03523	9.8
179.05556	11.0
180.04248	21.7
181.05049	15.9
189.05508	1.3
190.06311	2.0
191.05629	12.5
192.04311	1.2
195.06604	35.2
207.06679	3.3
210.05275	4.7
216.03246	0.9
219.06749	1.1
225.07600	9.0
244.67538	0.9
346.04086	0.9
357.09674	1.9
357.13577	1.1
372.12134	1.9
381.30634	0.9
387.10709	1.0
387.14542	13.9
416.14777	1.1
417.15515	8.1
419.14325	1.0
534.29358	0.9
565.20758	20.0
566.21405	1.2
613.22919	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	775.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81684	0.5
55.20656	0.4
59.01384	2.6
60.86225	0.5
67.01897	0.6
71.01403	0.6
72.19555	0.4
75.88613	0.5
77.03972	0.5
77.77170	0.5
79.10783	0.5
81.03491	0.5
85.02955	1.1
86.07197	0.5
93.03453	5.8
93.03940	0.6
95.01398	0.7
96.95998	2.2
101.02399	0.6
109.02934	5.2
111.00865	0.5
112.37952	0.5
121.02946	5.7
121.06586	0.6
122.03725	12.1
123.00861	0.9
123.04472	2.1
124.01671	0.9
124.70675	0.5
125.02438	1.2
132.02081	0.8
133.02924	2.8
135.04520	3.4
136.01631	2.3
137.02426	18.0
139.00397	0.6
139.04002	2.1
147.04547	0.7
148.22935	0.5
149.01289	1.1
149.02429	26.9
149.06110	0.9
150.03209	100.0
151.00348	8.5
151.04027	4.8
152.01138	2.3
152.04778	2.9
153.01953	0.6
153.05692	0.5
159.04433	0.9
161.02385	0.7
162.03198	0.8
163.04056	0.6
164.04756	6.1
165.05545	96.3
166.02693	34.8
166.05920	0.9
167.03474	4.0
173.04558	0.6
175.03999	3.2
176.04568	0.5
177.01915	2.7
177.03345	0.6
177.05516	2.1
178.79590	0.5
179.03500	2.2
180.04282	8.0
181.05045	40.5
184.03731	2.9
185.02206	0.7
187.03949	4.4
190.02550	0.6
190.06378	1.2
191.03484	2.3
191.05589	8.4
192.04321	1.1
193.05042	2.8
195.04823	1.2
195.06609	30.8
202.06371	0.7
203.03430	0.9
204.04260	0.9
205.05061	8.4
219.06642	0.7
220.07375	7.4
221.08073	0.9
244.92934	0.5
282.05182	0.8
315.08719	1.1
324.06537	0.6
325.07184	0.9
329.10233	2.7
341.10385	0.8
345.62683	0.6
372.12268	1.9
385.13004	0.7
387.10043	6.1
387.15344	5.8
402.13123	5.4
403.13800	1.1
406.71262	0.6
416.14594	3.0
417.15582	38.0
535.15753	3.6
550.18616	1.0
565.20795	40.8
566.21179	0.8
583.21973	1.1
595.21729	1.1
613.22931	28.7
614.23328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	4.2
59.01373	100.0
63.05180	0.8
66.71246	0.8
71.01368	52.9
72.99304	5.4
77.11610	0.8
83.01375	2.1
85.02940	12.2
87.00869	3.6
89.02425	55.1
93.03437	1.5
95.01375	5.1
96.95995	2.2
101.02428	22.4
107.73302	0.8
109.02956	1.8
113.02429	18.2
119.03473	21.6
125.02395	1.3
135.04495	5.2
137.02414	1.7
137.69737	0.9
143.03482	1.6
146.03654	1.2
149.02428	1.3
149.04535	2.0
150.03197	1.0
151.04008	1.2
155.47459	1.0
161.04500	3.9
165.01918	4.6
165.05504	2.1
166.02672	4.1
170.06314	0.9
177.01938	1.4
179.03491	1.6
179.05559	13.1
179.06989	1.6
181.04984	3.6
191.05569	16.9
192.04294	1.6
195.06598	4.2
197.80766	1.0
202.99654	1.0
207.06520	2.0
210.29121	1.0
225.07532	1.3
273.07123	1.0
284.03311	5.5
285.04102	14.8
400.61084	1.0
416.14651	4.3
447.09256	6.1
508.62280	1.0
565.20758	4.9
736.48151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09464	8.0
63.79904	6.8
67.57143	8.5
75.62785	7.3
78.95889	84.1
92.63523	9.5
111.08134	10.4
131.38647	9.2
152.99606	100.0
161.81375	8.0
167.13297	11.1
174.99905	8.6
197.11795	64.4
253.21657	14.3
255.23181	14.7
281.24988	15.3
291.19421	12.7
309.20590	13.0
531.59595	12.0
537.24768	83.4
773.45374	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74064	3.0
70.00299	2.6
76.56049	3.4
78.95890	65.5
83.04377	3.0
89.13898	2.8
102.94193	3.0
111.08105	13.8
152.17955	3.0
152.99573	82.8
165.12938	3.9
169.12318	3.8
176.96713	3.3
197.11795	53.0
206.32211	3.0
211.13414	3.8
221.86685	3.2
227.03259	4.5
253.21745	20.7
255.23285	29.3
273.18640	3.9
291.19647	14.1
309.20654	14.4
367.77234	3.9
445.20093	4.7
476.68692	4.2
482.24399	3.2
536.23364	5.7
537.24573	100.0
540.61713	3.7
570.04260	3.3
577.36047	3.6
579.46326	3.1
629.69324	3.4
773.45905	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.4
65.48859	4.9
74.84400	5.6
79.75889	6.2
85.02889	7.4
90.08186	5.5
90.92175	5.5
109.06575	11.3
163.11249	10.0
178.61217	5.5
191.05605	13.0
195.45627	6.2
207.10258	89.1
209.11884	7.8
209.59979	6.9
225.11325	29.0
235.08286	7.7
249.18513	11.8
253.09254	20.7
275.20026	9.9
293.21262	100.0
441.76074	6.5
694.54535	7.2
697.05493	6.7
737.41168	64.3
773.38708	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	7.5
71.01416	6.5
94.00294	5.5
98.58870	7.3
116.92838	8.8
130.03000	8.7
191.05595	48.7
199.17004	6.6
209.11824	87.1
291.19647	100.0
527.28400	8.5
719.39685	9.0
773.39758	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	773.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01323	0.7
55.01887	1.1
57.25209	0.5
59.01364	6.7
59.01621	0.6
64.32964	0.8
65.76117	0.6
69.03461	1.3
71.01398	3.2
71.19231	0.8
74.47375	0.6
80.02698	1.1
82.95425	3.1
83.05006	6.1
85.02944	6.9
89.02460	4.0
92.10176	1.4
93.03465	1.0
96.96008	3.6
97.06583	3.1
101.02457	4.1
109.02976	1.0
109.91498	0.7
113.02427	1.9
116.92827	0.8
119.03448	1.0
127.11256	0.9
137.09654	0.8
149.41029	0.7
156.05815	0.8
161.04532	1.0
163.11281	4.4
165.12839	4.0
171.10245	16.4
183.13849	2.9
191.05611	3.8
207.13828	3.8
209.11827	100.0
211.13391	10.7
221.11749	1.6
227.12889	9.4
229.14371	7.2
235.08197	3.2
239.12825	1.0
253.09273	12.2
271.61456	0.7
291.19717	1.5
308.34314	0.8
309.20752	5.7
313.20438	0.8
327.21774	52.9
328.22293	1.0
360.38602	1.0
445.20578	0.9
451.99930	0.8
563.30853	3.0
758.43256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36961	4.3
58.39191	3.5
59.01374	63.6
61.98824	3.8
71.01044	4.4
71.01372	36.1
89.02416	32.6
101.02435	16.5
113.02451	5.4
119.03458	7.7
127.42606	4.1
225.22279	9.8
278.24850	5.1
281.24841	20.7
506.63239	4.4
532.47278	18.1
550.48633	5.0
647.73639	4.8
712.53668	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	773.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24222	0.1
56.96601	0.1
57.03450	0.6
57.32931	0.1
58.55387	0.1
59.01375	3.3
60.05831	0.1
62.63608	0.2
65.04005	0.1
67.01901	0.2
69.03431	0.2
71.01378	1.1
73.02953	0.3
81.03451	2.1
83.01384	0.2
85.02939	5.6
85.03412	0.3
87.00843	1.3
88.34637	0.2
89.02448	0.6
92.10103	0.7
93.03442	3.0
95.05020	0.9
97.02927	0.2
99.04507	1.6
101.02439	0.2
109.02956	1.6
111.04497	1.6
113.02462	0.7
117.03480	0.2
119.05025	0.8
123.04510	3.0
125.02414	6.0
127.03986	1.9
133.02925	2.0
135.04451	0.2
137.02423	1.0
139.04002	0.2
145.02927	0.4
149.02399	0.3
151.03970	0.2
163.03989	1.3
165.01941	0.2
167.03477	13.3
171.03049	0.4
173.04514	1.5
177.01889	0.4
179.03470	0.2
191.05597	100.0
192.00540	0.2
192.05920	0.8
193.01410	0.7
197.04565	3.1
205.01387	0.2
209.04579	0.3
229.08704	2.9
235.02438	1.7
255.06630	0.8
257.06689	1.4
261.00537	0.2
265.03635	0.4
273.07581	0.3
307.23709	0.2
325.05618	0.3
337.09299	19.8
338.09790	0.3
345.06177	4.1
349.18887	0.2
375.07199	0.7
391.19492	0.3
435.08289	3.6
435.13803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.1
59.01381	15.7
61.98809	3.6
64.72982	3.3
66.82362	3.0
71.01382	6.3
80.02657	5.2
81.03439	4.0
82.95439	5.2
83.05006	5.1
85.02949	6.8
92.63793	4.0
93.03442	3.8
95.05025	3.4
96.96008	5.1
97.02935	4.6
101.02396	12.2
109.06560	39.2
122.80989	3.4
125.52419	3.9
135.04489	3.8
163.11272	31.2
171.10333	27.6
183.13937	5.8
189.02043	4.1
191.05571	17.1
197.11786	8.5
207.10237	80.8
207.61542	4.2
209.11842	100.0
211.13448	27.5
221.11826	4.1
225.11333	41.3
227.12903	16.7
229.14410	6.9
253.09360	26.9
291.19705	5.0
325.20416	26.8
327.21759	82.0
360.17557	3.8
368.49741	3.9
398.83566	3.7
424.40750	3.9
461.20267	7.0
771.41315	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81193	4.6
64.88707	4.5
75.36778	4.9
78.95885	59.2
81.48287	4.9
94.11726	6.0
95.96558	4.7
96.46429	4.8
98.19870	4.8
123.18654	5.4
152.99593	100.0
165.29327	5.2
209.11755	11.9
245.18849	17.0
253.21779	27.0
254.90450	5.3
255.23424	7.2
281.24811	8.0
289.18268	18.1
364.07901	5.6
455.45767	5.6
535.23242	80.3
710.11981	6.2
771.44769	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83343	5.3
59.01375	10.0
61.98822	8.4
63.67073	6.5
71.05003	6.7
73.66850	5.8
80.69057	7.2
82.46198	6.0
87.71181	6.8
92.15086	6.1
119.38704	6.2
168.57373	6.6
182.56349	7.2
191.05565	34.2
203.65042	7.5
207.10210	37.1
223.35504	7.1
225.11319	10.8
238.32976	7.3
291.19601	100.0
481.29651	10.0
527.28906	10.6
585.24854	8.4
717.38696	69.2
735.39459	53.8
745.47534	8.5
771.37067	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	771.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95091	35.4
57.68240	36.6
62.88096	38.6
67.76899	40.1
93.59093	42.0
116.09579	35.5
145.20518	47.3
191.05498	78.6
223.13297	76.3
285.35510	39.7
293.21365	90.9
650.53137	46.4
771.40863	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	771.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	24.3
61.98838	21.0
62.32560	5.6
63.65847	4.5
65.49418	4.7
67.50018	4.3
83.83925	5.2
92.96710	5.1
96.95990	19.1
109.54688	5.5
117.09586	4.8
135.04491	20.8
171.10133	8.9
179.03401	6.5
191.05629	55.1
195.80360	5.5
207.10318	42.9
209.11789	100.0
225.11263	8.1
227.12938	9.0
239.12869	37.1
253.09286	13.2
271.15540	9.2
273.17093	8.1
317.91309	6.3
535.25732	5.7
588.32831	6.9
771.35248	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	771.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51443	0.6
57.03462	1.3
59.01378	21.0
59.01669	0.8
60.92110	0.6
60.99312	1.4
65.84058	0.7
67.01883	10.2
69.03468	1.0
71.01376	12.2
72.30083	0.7
81.03468	1.6
83.01392	1.5
83.05035	1.2
85.02940	12.1
87.00865	18.3
87.04516	0.7
89.02456	4.5
92.10839	1.7
93.03441	71.7
95.01421	0.7
99.00928	0.9
101.02413	5.1
109.02969	4.6
111.04510	11.7
113.02428	5.5
119.03503	1.1
121.02989	0.8
122.03742	1.1
123.04519	2.9
125.02421	1.2
127.04024	1.4
129.01971	1.8
133.02940	1.2
134.03746	0.8
135.04506	100.0
137.02440	13.0
148.05350	1.5
155.03468	5.7
159.04597	0.9
161.02434	1.2
161.06102	0.9
161.13400	1.1
162.06902	1.4
163.07666	4.1
167.78735	0.7
173.04544	18.8
173.05963	1.7
175.04005	0.8
177.01906	1.1
177.09227	3.6
179.03514	3.1
187.11227	1.0
189.09296	3.3
191.05600	69.8
192.06079	1.3
221.11896	1.2
231.14020	2.8
233.11806	14.4
233.13739	1.0
236.90660	0.8
247.13391	10.9
265.14432	12.7
285.04120	6.1
299.05737	0.9
327.05292	5.1
353.08826	1.1
359.10040	1.7
391.25089	3.2
410.94138	0.8
417.08542	4.6
427.19751	12.0
487.74438	0.9
529.20660	1.0
547.22223	4.3
591.21478	3.5
597.29486	1.7
709.27283	1.0
771.35016	62.0
772.35565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.04906	0.2
61.98831	0.2
66.19258	0.2
78.95890	6.8
79.95728	2.5
88.98772	0.3
90.99197	0.2
93.03433	0.8
94.98074	0.2
96.95991	100.0
96.96883	7.0
112.04476	0.2
113.92610	0.2
135.04471	0.8
140.01021	0.2
140.09659	0.2
191.05624	2.2
209.11810	0.3
218.96843	0.2
252.19498	0.2
405.09631	0.2
772.94989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81603	0.2
57.03450	0.2
58.15235	0.1
59.01374	1.7
59.01587	0.1
60.99307	0.2
62.58390	0.1
66.63281	0.1
67.01897	0.3
69.03429	0.2
71.01373	1.1
73.02940	0.2
79.33530	0.1
83.05021	0.2
85.02940	7.0
87.00857	2.0
88.98837	0.2
93.03436	4.9
94.03838	0.2
96.96025	0.3
97.06137	0.2
109.02944	1.2
111.04504	1.3
113.02367	0.2
125.02419	0.2
127.04000	2.1
132.02213	0.2
133.02933	1.5
135.04518	2.4
137.02441	0.8
143.03494	0.2
148.05260	0.7
151.04108	0.2
155.03500	0.2
157.01694	0.2
159.91782	0.2
161.02417	4.1
163.07646	0.4
165.01936	0.2
171.02988	0.4
173.04500	1.8
179.03441	1.1
188.62857	0.2
191.05603	100.0
192.06050	1.5
286.95016	0.2
327.16083	0.2
353.08786	10.1
429.46970	0.2
544.11688	0.2
771.34418	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	770.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
64.33222	1.2
67.62353	0.9
78.95884	1.1
92.63377	1.2
97.69778	0.9
101.84533	1.2
122.94270	1.2
130.72743	1.2
278.22052	1.3
279.22498	1.2
336.54929	1.2
731.65527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
58.86554	0.3
59.01376	8.4
60.99306	0.5
65.03966	0.3
67.01883	2.0
69.03467	0.4
71.01373	4.5
72.38255	0.2
72.99266	0.3
73.02961	0.3
81.03448	0.5
83.01378	0.5
83.05010	0.4
85.02939	3.1
87.00857	3.8
89.02423	3.5
93.03437	17.4
95.01366	0.3
99.04510	0.4
101.02408	2.2
104.07716	0.3
107.05038	0.6
109.02944	5.4
111.04501	2.8
113.02409	1.1
119.03499	0.5
123.04493	0.3
125.02431	0.4
129.01938	0.4
132.72301	0.2
133.02946	0.5
134.03755	2.0
135.04506	100.0
136.04851	0.5
137.02435	1.5
147.02310	0.2
147.31937	0.3
149.02405	0.4
149.23286	0.3
151.04033	0.4
155.03487	1.4
161.02368	0.3
161.13324	1.8
162.06821	0.3
173.04552	6.4
173.05913	0.7
177.09193	0.9
179.03471	0.5
187.11179	2.1
189.09196	0.6
191.05600	13.5
192.05936	0.3
201.37949	0.3
205.12340	1.4
247.13361	4.3
249.11307	0.6
265.14420	5.2
285.04025	8.3
297.09839	2.8
391.25214	0.5
391.51089	0.3
417.07956	0.4
427.19693	4.0
461.07492	2.4
485.21857	3.1
517.97577	0.3
529.20715	5.5
573.22839	0.4
585.94397	0.3
597.29602	0.4
654.33759	0.3
683.25397	0.5
709.27191	11.2
771.34735	14.8
778.49951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59044	0.2
55.01907	0.2
59.01374	4.7
59.01627	0.2
71.01357	2.9
73.02962	1.3
80.02672	0.5
80.96517	0.3
81.03479	0.4
83.01414	0.4
83.05026	3.7
84.02164	0.3
85.02948	1.1
87.00909	1.0
87.39037	0.2
89.02414	2.4
101.02421	3.5
109.06656	0.3
112.07073	0.2
113.02463	1.6
127.52154	0.3
133.05049	0.5
145.05109	0.3
161.04573	1.4
163.11261	2.9
165.12825	1.8
171.10291	0.3
181.12331	0.5
191.10771	0.5
206.91884	0.3
209.11832	65.6
210.12198	0.6
227.12886	7.8
235.08170	4.5
253.09285	7.1
277.21710	100.0
278.22043	2.2
445.20346	0.3
513.30579	0.5
546.33826	0.3
663.84076	0.3
769.42548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98839	1.0
64.14336	0.6
69.33801	0.7
71.01375	6.3
72.33232	0.7
76.55884	0.7
78.57187	0.6
85.02937	0.7
87.51983	0.7
177.09167	2.9
191.05580	3.4
192.11548	5.8
197.11902	0.9
205.12347	4.7
218.09441	2.8
220.12854	0.7
220.14668	44.7
221.15457	100.0
222.15771	1.4
223.13443	1.5
235.13446	1.1
236.10512	67.9
237.11168	1.2
293.17581	47.4
294.17969	0.7
327.21887	1.4
461.97778	0.7
527.33771	0.7
536.43842	0.8
671.61090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65786	7.7
59.01383	18.2
65.69749	8.5
71.01396	9.6
80.27584	8.3
80.41798	8.8
80.96493	13.7
85.62010	8.9
99.32790	8.4
169.12221	11.4
180.40434	11.5
195.10249	46.2
197.11801	16.1
210.36041	9.4
220.81795	10.9
227.14856	9.9
234.58211	9.5
253.21840	11.9
277.21783	100.0
291.19626	18.5
328.63916	10.0
334.35376	10.3
363.72705	10.3
429.87512	10.3
552.29694	12.2
683.96985	13.6
769.41626	20.9
781.59625	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	769.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.2
71.01374	2.4
73.02957	0.4
80.02689	1.2
81.03462	1.3
83.01398	0.3
83.05025	5.2
84.02170	0.9
85.02957	1.0
87.00897	0.3
89.02425	2.1
92.01526	0.2
95.05025	0.4
101.02427	2.1
109.06618	0.2
110.60643	0.2
113.02469	1.3
119.03470	0.7
121.58147	0.2
125.06104	0.5
135.08136	0.8
150.69156	0.2
161.04556	1.1
163.11263	4.0
165.07727	0.2
165.12837	2.8
165.69171	0.2
179.05580	0.4
181.12289	0.3
191.10759	0.9
197.11766	0.2
209.11829	100.0
210.12178	1.2
227.12894	8.3
227.15118	0.4
235.08159	1.1
244.30357	0.2
253.09300	6.4
277.21713	47.4
278.22006	1.3
445.20651	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	769.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98819	1.1
78.95894	8.3
79.95729	1.8
93.03466	0.3
96.95998	100.0
96.96898	9.3
128.01465	0.2
135.04556	0.3
135.77122	0.2
165.83275	0.3
191.05614	1.4
209.11925	0.4
265.07510	0.4
277.91492	0.3
307.08868	0.3
328.11118	0.3
361.64044	0.3
445.87573	0.3
474.65134	0.3
603.22626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29402	9.9
59.01404	16.8
61.98829	77.1
62.55596	10.5
63.85160	12.1
65.42902	10.8
68.15400	12.1
82.94120	11.0
96.96007	64.7
109.06592	25.0
112.01141	12.8
112.93455	13.3
115.31769	11.8
161.09662	13.2
163.11241	19.6
171.10254	11.6
178.83192	11.6
191.05605	60.4
207.10233	100.0
225.11232	46.3
239.12849	54.0
245.04552	11.1
253.09158	12.6
265.14566	14.1
273.16998	55.7
307.11887	12.1
344.72250	15.7
503.33969	24.5
750.15375	13.7
772.26477	15.4
773.89703	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	768.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.3
61.98827	100.0
79.00472	0.3
92.10773	0.5
96.30825	0.2
126.60622	0.2
135.04495	0.3
174.59111	0.2
191.05568	2.0
209.11781	1.5
210.12157	0.9
211.23853	0.3
233.38525	0.3
254.09184	0.2
285.04056	0.5
352.94196	0.3
530.26849	0.3
614.76947	0.3
777.20068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81551	0.5
59.01369	1.7
67.01895	0.8
71.01372	2.2
74.04098	0.4
77.92645	0.4
81.17558	0.4
83.05035	0.8
85.02936	13.6
85.03420	0.8
87.00869	4.6
92.10117	1.2
93.03433	9.6
109.02934	8.7
109.22137	0.5
111.04523	2.9
111.20957	0.4
119.04970	0.5
121.03025	0.4
127.03983	3.4
129.01884	0.6
133.02959	0.6
134.86002	0.5
135.04567	0.6
137.02423	1.8
145.02950	2.5
146.03702	0.8
147.04492	6.6
149.06041	0.4
153.05478	0.5
154.14780	0.4
157.02914	3.0
159.04497	2.8
163.03944	2.5
171.02966	0.6
173.02437	2.2
173.04506	4.1
174.03165	1.0
175.03969	9.1
185.02319	0.8
186.03166	1.9
187.03940	0.5
191.05592	100.0
192.05872	1.7
201.01913	4.9
203.03566	0.9
217.05179	0.8
218.02113	1.9
219.02951	17.9
219.97942	0.4
221.05956	0.6
229.01392	29.0
237.05513	0.9
239.07213	0.8
248.04736	0.6
249.05530	2.6
264.04272	0.7
265.04984	6.4
267.06564	2.8
275.03592	0.8
276.04318	0.9
277.04965	4.6
292.03845	5.8
293.04514	15.0
294.05304	0.9
295.06107	16.5
304.03848	1.6
320.03220	1.9
321.04022	41.9
338.04361	1.7
339.05106	7.8
353.06839	2.5
403.06699	0.5
449.72989	0.4
513.10272	4.6
545.12939	3.5
607.35175	0.5
705.16559	4.9
737.19232	12.8
737.31610	0.6
769.21997	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	767.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81619	0.9
55.54835	0.6
57.03444	0.7
59.01384	100.0
61.98822	7.6
64.17572	0.7
71.01382	1.1
75.24426	0.7
75.89298	0.7
85.02969	0.8
90.49812	0.9
92.08861	0.8
92.10878	0.9
99.00871	1.0
99.92586	1.4
109.02953	0.8
116.92019	0.8
116.92846	25.4
137.42616	0.8
164.17184	0.9
173.04536	0.8
183.13831	1.0
191.05626	6.8
208.38596	0.9
209.11774	0.9
221.06662	0.9
227.12910	1.2
354.64093	0.9
379.01138	1.0
501.35883	5.1
570.61084	0.9
789.31598	0.9
794.46051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.4
61.98840	5.0
71.87362	0.9
80.96508	3.8
82.96113	1.6
89.02458	1.6
97.68977	1.0
100.76437	0.8
110.60221	1.0
113.61549	1.0
134.74602	1.2
163.48944	1.2
183.13872	7.4
193.12369	1.3
211.13393	100.0
214.81973	1.2
224.67859	1.1
225.00621	1.2
235.25594	1.2
251.22079	1.3
253.09264	6.9
277.21695	53.0
306.48041	1.1
361.35941	0.9
402.79007	1.2
447.22330	5.6
457.58267	1.1
482.37350	1.1
532.42676	1.0
630.24750	1.1
655.97894	1.1
767.41400	4.9
793.28088	1.2
793.43951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88029	0.5
59.01397	0.6
63.35884	0.5
71.16318	0.6
73.78361	0.6
78.21907	0.6
87.71728	0.6
110.00254	0.6
156.09554	0.7
168.06787	0.7
171.10265	7.9
191.05588	2.6
230.18880	0.7
277.21729	11.3
295.22766	34.5
471.34814	100.0
472.34924	5.1
487.22388	0.7
530.75537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58815	0.5
55.01878	3.2
55.40103	0.6
56.72737	0.7
57.03458	1.6
59.01376	100.0
71.01370	22.7
71.01740	0.9
73.02933	7.6
83.01376	4.5
85.02946	13.9
87.00876	1.5
89.02431	10.9
93.03455	4.8
95.01378	1.4
99.00865	1.6
101.02430	19.7
106.04244	1.1
107.05023	4.2
108.02146	0.9
109.02950	1.5
111.00831	0.9
113.02434	9.8
119.03487	4.4
119.29568	0.7
120.91346	0.8
123.07010	0.8
125.02415	1.0
133.02934	2.5
135.04514	4.1
143.03522	1.1
147.04442	0.9
154.99847	3.8
159.03029	1.8
161.02415	0.9
161.04533	8.3
169.04721	0.7
173.01003	0.8
175.02420	0.9
175.03960	0.9
179.03519	1.2
181.35535	0.7
185.11821	0.9
191.05574	17.6
199.03975	0.7
213.09178	9.5
243.99318	0.8
257.08218	7.6
266.72415	0.7
285.04010	1.7
298.04654	0.8
299.05502	1.4
327.05209	8.7
328.05389	1.2
329.05646	1.1
329.16083	9.3
347.17081	26.2
357.06134	1.6
389.18201	33.9
417.08249	6.8
418.08527	0.9
419.08618	1.2
419.13599	2.7
458.41141	0.8
627.96936	0.9
767.30707	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	8.2
71.01367	1.2
71.41492	0.7
75.80148	0.7
85.02938	0.9
96.62867	0.7
96.90934	0.8
96.96012	0.7
99.92580	1.8
116.92840	19.8
123.27090	0.8
131.67372	0.8
191.05585	7.2
197.11836	0.9
209.11826	1.8
221.06575	1.0
357.39923	0.8
459.10172	0.8
501.35895	3.4
732.46417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
59.90152	0.1
60.99322	0.2
61.98835	0.1
63.02401	0.3
65.00324	0.8
67.01890	0.7
68.87602	0.2
70.28950	0.2
71.01403	0.4
76.98870	0.1
83.01392	0.8
84.45214	0.2
85.02946	0.4
87.00877	0.9
93.03437	4.9
96.95972	0.2
105.03495	0.3
107.01377	2.4
109.02957	0.4
111.04507	0.7
116.51841	0.2
121.02953	0.3
133.02936	13.4
134.03716	0.3
135.04491	1.0
149.02438	3.2
150.03220	1.0
151.00349	6.3
165.05469	1.2
173.04492	1.8
175.03981	3.8
178.02686	0.7
191.05595	2.7
192.06026	0.2
195.06598	0.8
197.06058	0.6
198.03326	0.7
199.04004	2.8
201.01964	1.4
213.05580	1.1
215.03581	0.3
217.05006	1.7
223.04074	0.2
229.04979	0.2
239.03671	0.2
241.05060	1.2
243.02946	0.8
257.04550	0.3
267.03036	0.3
285.04041	100.0
286.04398	3.0
314.55518	0.2
377.16031	0.2
390.86688	0.2
449.14395	1.3
481.11029	0.2
481.17285	2.2
519.18970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98822	100.0
66.39910	0.2
78.62469	0.3
79.90747	0.2
80.23692	0.2
96.33968	0.2
109.06585	0.4
116.92863	3.2
117.92876	0.3
146.80495	0.2
191.05579	1.1
207.10110	0.5
209.11763	1.0
210.12202	0.5
241.91000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84967	1.3
59.01390	3.6
70.38434	1.3
71.01365	11.2
78.95906	8.7
78.98575	10.5
79.95718	18.5
79.96081	1.1
80.96507	100.0
81.03439	2.2
85.02962	2.6
87.00861	3.1
94.98066	23.5
97.02969	1.6
101.02448	2.1
106.98082	7.1
108.72935	1.3
122.97533	6.0
125.02411	6.3
127.03956	2.3
133.79099	1.3
134.97546	9.5
146.06119	1.4
148.99123	12.6
149.18828	1.4
150.81412	1.4
152.98604	8.9
164.98611	17.8
196.72212	1.3
206.99678	3.3
207.10231	1.5
209.11836	15.7
210.12195	6.1
225.00749	27.3
226.01003	5.9
237.41907	1.5
255.23274	10.9
256.23608	8.1
257.24042	2.0
277.21683	2.2
281.24802	14.8
510.17462	2.2
647.75116	1.9
691.43408	6.6
692.44189	12.5
716.45294	8.0
747.89941	1.6
765.41150	12.2
766.41333	94.2
767.41919	2.9
772.22711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70662	0.2
59.01375	2.1
63.39225	0.2
65.81377	0.2
71.01379	1.3
73.02940	0.2
80.02648	1.3
81.03432	1.4
83.05015	4.5
83.05503	0.2
84.02163	1.2
85.02963	0.4
87.00864	0.3
88.98802	0.2
89.02438	1.3
93.03431	0.5
95.05015	0.8
96.95990	0.4
101.02414	2.1
109.02981	0.2
109.06618	0.4
111.08145	0.2
113.02431	1.1
119.03542	0.3
125.06081	0.8
135.08156	0.9
138.97578	0.2
161.04512	0.4
163.11279	4.2
165.05765	0.2
165.12840	2.1
171.10248	0.8
179.05623	0.2
181.12296	0.8
191.05504	1.5
191.10765	1.1
209.11818	100.0
210.12148	1.7
227.12872	11.6
228.13257	0.2
235.08278	1.3
253.09265	5.0
259.15427	0.8
304.42734	0.2
349.38605	0.2
442.23102	0.2
445.20691	3.1
637.32465	0.7
722.67297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.60591	0.7
60.77301	0.8
61.98825	2.0
63.37996	0.9
71.01369	1.2
83.51641	1.1
90.28715	0.9
93.03413	1.4
94.97970	1.1
116.92842	2.0
150.24869	0.9
151.73682	1.2
191.05611	5.7
209.11758	1.1
221.61021	1.0
226.86066	1.0
379.67493	1.0
465.07156	1.0
499.34549	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01371	1.4
61.98838	2.9
63.96231	0.7
71.01380	11.7
73.02949	1.8
76.48978	0.8
78.98586	10.0
79.42027	0.7
79.95728	17.5
80.96513	100.0
81.03444	1.2
81.95289	0.8
82.96101	3.5
85.02966	5.0
87.00867	4.8
94.98077	21.4
96.95963	1.0
97.02951	1.4
101.02425	3.3
106.98084	4.4
120.46648	0.8
122.97550	4.1
125.02452	5.3
127.92144	0.7
134.97559	8.7
136.99150	1.3
148.99179	8.8
152.98608	10.0
154.98221	0.8
164.98625	18.5
201.87436	0.8
202.99057	0.9
203.46912	0.8
206.99638	3.6
209.11827	2.7
225.00735	31.1
226.01228	1.2
255.23326	1.6
299.96341	0.8
302.95166	0.7
509.16986	4.2
537.27490	1.0
587.79291	0.8
650.92615	0.8
765.40790	87.0
766.41437	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	765.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30324	0.2
55.01878	0.4
57.03453	2.1
58.00591	0.4
59.01381	31.7
67.01896	0.4
67.44381	0.3
67.61859	0.3
69.03458	0.7
71.01375	14.4
71.01746	0.7
71.05012	0.4
72.99285	2.7
73.02946	0.7
73.50552	0.3
80.66673	0.3
80.69436	0.4
83.01380	1.9
83.05031	0.4
85.02930	5.2
85.06568	0.6
87.00878	0.7
89.02425	16.2
89.04723	0.3
93.03445	2.9
95.01383	1.5
96.22552	0.3
99.00827	0.6
99.61636	0.3
101.02422	9.9
104.37115	0.3
107.08678	3.1
109.02972	1.5
109.10213	0.5
111.04493	0.6
113.02425	5.2
119.03458	5.7
120.98640	0.3
121.10207	0.8
125.02415	0.8
127.03986	0.4
131.03438	0.4
135.04482	0.5
137.02435	0.5
137.09688	0.5
139.11310	2.5
144.40201	0.4
155.10780	1.6
161.02400	0.7
162.85222	0.3
173.04550	0.6
179.03506	0.5
181.08684	1.2
183.10242	44.9
185.02402	0.5
191.05608	15.9
192.05931	0.6
192.99641	0.5
197.11774	0.4
201.11319	14.7
203.06992	0.4
245.08060	0.7
289.07205	1.6
320.32083	0.3
363.16602	100.0
364.16803	0.7
387.16510	0.4
468.10977	0.4
475.18289	3.1
495.09921	0.4
675.80542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93759	0.3
59.01370	0.9
61.92427	0.3
64.33192	0.3
65.00327	0.4
65.03966	0.6
67.01884	0.5
71.01379	1.4
79.05516	0.5
81.03445	23.9
85.02956	1.6
87.00858	0.6
93.03441	6.1
95.01356	1.6
96.95994	2.8
101.02438	0.7
106.04234	3.4
107.01340	0.6
108.02170	1.4
109.02928	4.0
111.04500	0.5
113.02427	0.7
119.05010	1.5
121.02956	0.9
122.03725	0.4
123.04502	100.0
124.04872	0.6
125.02432	2.0
135.04573	0.5
137.02417	1.5
138.03188	1.7
144.44559	0.4
149.02423	5.7
163.03976	0.8
167.03461	5.2
173.04567	0.5
175.45184	0.4
185.06085	0.8
187.07632	0.4
187.99110	0.4
191.05617	9.8
198.01630	0.4
211.07741	0.4
227.07127	1.6
229.08685	89.7
230.08992	1.9
255.06607	22.8
256.07065	0.4
265.04709	0.6
273.07681	28.5
307.40536	0.4
329.08771	0.5
435.12973	89.5
436.13367	2.4
541.10638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59597	1.5
57.68574	1.3
59.01375	14.5
65.03992	1.3
67.01925	1.9
71.01036	1.6
71.01347	11.1
73.02973	2.4
81.03448	38.7
85.02964	7.1
86.77741	1.5
89.02456	7.4
93.03444	13.5
95.01383	2.3
96.95998	7.4
101.02430	3.2
107.01459	1.6
109.02956	6.1
111.04519	1.8
113.02445	2.5
119.03506	1.9
121.02952	2.6
123.04504	100.0
125.02425	3.7
133.02962	1.9
135.04501	2.2
149.02399	16.3
150.03265	1.9
151.03964	1.8
153.80534	1.4
167.03450	5.7
167.10722	7.6
173.04404	1.7
174.61546	1.5
177.01967	1.9
177.08452	1.7
179.03426	1.6
185.06096	2.0
185.11760	2.4
191.05602	33.3
227.07140	2.4
229.08685	65.7
237.41937	1.7
254.59837	1.8
255.04002	2.4
255.06624	48.7
273.07642	28.2
347.17075	5.6
383.80569	1.6
547.53802	1.5
587.25214	3.2
722.07318	2.0
765.29712	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77845	12.1
54.17066	12.8
59.01384	100.0
71.11297	12.9
83.85744	16.7
92.10829	83.0
97.51608	15.2
108.11227	18.5
145.81723	14.1
191.05675	28.0
209.11795	21.0
243.19659	63.5
244.45473	16.1
249.18465	25.1
550.91852	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	763.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81609	55.1
63.86009	63.1
65.53271	59.2
66.34153	53.7
80.96522	93.9
82.24439	59.2
86.70726	74.3
90.63858	81.5
105.38320	61.3
108.02665	68.2
181.08786	100.0
193.97485	70.5
209.75400	67.0
280.47238	80.1
455.61380	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71791	0.4
65.93412	0.5
66.08335	0.4
69.42791	0.4
77.91145	0.4
115.90504	0.5
121.10216	3.7
125.09658	0.9
164.92647	0.5
185.11758	4.2
191.05635	2.8
196.89209	0.5
197.11659	0.6
198.88055	0.5
211.13431	0.5
215.60367	0.6
273.18478	0.5
291.19662	37.6
405.50287	0.5
432.83792	0.5
453.33685	6.4
471.34802	100.0
472.35312	3.4
648.05060	0.5
681.40253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57086	0.4
56.15344	0.5
59.01372	16.7
61.47282	0.4
61.98826	0.6
64.18840	0.5
71.01372	0.8
78.95884	26.2
79.95744	0.5
80.02666	2.7
80.96495	7.9
81.03461	2.9
83.01372	0.8
83.05009	8.8
84.02156	2.3
94.98038	1.0
95.05005	0.7
96.25615	0.5
96.96962	0.9
101.02431	0.6
115.35671	0.5
125.00067	1.0
125.09692	1.1
135.08116	1.0
136.99072	0.7
147.11757	0.6
152.99591	2.9
163.11256	9.9
164.98613	0.9
165.12830	5.3
168.04271	7.8
181.12332	1.2
191.10696	2.5
209.11807	100.0
223.13434	3.0
224.06923	6.7
225.00728	2.0
226.12108	0.9
227.12877	8.1
241.14445	10.3
255.23262	88.0
256.23669	0.6
283.95395	0.6
434.20020	0.7
480.31128	3.8
522.09534	0.5
619.36334	2.1
645.37805	0.7
690.43475	79.5
691.43994	3.3
704.45020	7.2
705.40625	0.7
764.39471	1.2
765.40887	5.9
772.26740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
60.99300	18.8
61.57831	0.4
85.02943	1.4
87.00864	1.6
88.00385	1.8
88.98788	100.0
89.02435	2.9
93.03436	1.9
96.95990	2.7
97.29868	0.4
109.02895	0.4
115.22172	0.4
117.04176	0.4
117.54704	0.3
135.04477	2.9
135.77426	0.3
144.75967	0.4
153.28374	0.3
173.04443	0.4
191.05603	7.4
192.05881	0.7
207.10400	0.4
209.11777	3.4
221.41573	0.4
238.17676	0.4
344.49695	0.4
471.57062	0.4
555.58417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06150	0.2
59.01374	15.9
65.94170	0.2
69.76764	0.2
71.01373	0.5
83.01365	0.4
85.02945	1.4
87.00854	0.5
89.02426	0.4
93.03444	1.1
99.00869	0.3
108.02161	1.6
110.67732	0.3
113.02402	0.3
115.00357	0.4
119.05003	2.4
121.02935	1.5
123.04520	2.6
124.01656	1.0
125.02409	0.3
126.27625	0.3
133.02901	0.3
134.03752	0.3
135.04509	8.8
136.05286	13.2
136.76047	0.3
149.06075	0.6
150.03247	0.3
151.03998	2.1
151.07629	3.8
161.02365	0.5
162.03174	0.3
175.02512	0.3
175.03975	0.2
177.01901	1.4
177.05516	0.4
190.26839	0.3
191.05589	6.4
191.07166	0.5
192.05956	0.3
195.06612	100.0
196.06970	1.4
197.47212	0.3
263.06174	0.3
271.87827	0.3
279.06705	0.3
286.51010	0.2
357.11920	20.7
358.12292	0.3
439.74353	0.2
474.00433	0.2
499.11081	0.4
691.19006	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89840	13.8
61.98829	52.3
62.95179	12.0
70.34798	13.3
70.97598	12.5
74.45722	13.4
79.40799	12.5
85.02948	18.3
92.92809	31.2
191.05588	100.0
208.99577	17.1
209.11826	92.2
210.12157	18.6
276.89536	14.0
325.29184	14.5
590.68573	14.7
764.10211	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	761.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	39.6
57.86192	35.2
58.55186	30.6
61.98819	100.0
74.61551	39.7
75.93477	34.5
80.96511	37.2
97.48395	43.9
111.66682	38.9
112.18808	38.8
157.60376	40.7
291.59052	44.3
299.42264	50.3
412.76294	41.7
636.86609	48.5
667.76385	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85427	8.2
55.23334	8.6
55.49189	9.2
61.98816	9.4
76.40466	10.3
92.10146	27.8
115.63177	10.3
125.59050	11.3
132.67076	10.6
143.93375	9.7
151.97102	9.5
181.25029	11.5
209.11816	64.3
235.08054	12.2
279.23224	100.0
761.40771	20.3
787.26563	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	761.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	39.6
57.86192	35.2
58.55186	30.6
61.98819	100.0
74.61551	39.7
75.93477	34.5
80.96511	37.2
97.48395	43.9
111.66682	38.9
112.18808	38.8
157.60376	40.7
291.59052	44.3
299.42264	50.3
412.76294	41.7
636.86609	48.5
667.76385	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69502	1.8
78.95900	21.2
85.54744	2.0
88.63845	2.2
128.08739	2.3
130.14502	2.4
152.99568	17.0
178.31807	2.4
195.13927	12.7
255.23291	100.0
277.21631	4.8
295.22751	38.2
314.74164	2.2
442.76086	2.8
739.42981	3.4
761.49591	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94228	0.3
61.98825	100.0
65.32841	0.3
92.10800	1.6
105.73251	0.3
136.34189	0.3
232.99263	0.3
233.45230	0.3
343.82706	0.4
603.35077	0.4
631.46759	0.3
763.41034	0.5
766.76428	0.4
771.04871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52103	0.3
57.03442	8.7
59.01374	5.3
63.25937	0.3
64.95851	0.4
65.00346	0.4
67.33987	0.4
71.01394	0.6
73.02856	0.4
73.37646	0.4
81.03445	1.0
82.95398	0.9
83.01396	1.9
84.95121	2.8
85.02947	0.6
93.03451	1.7
96.95990	4.2
105.03477	0.5
107.01390	2.3
108.02200	0.5
109.02940	36.4
118.65903	0.4
121.02931	2.7
123.04511	3.1
125.02423	100.0
126.02762	0.7
133.02939	32.3
135.04475	0.8
149.02423	7.5
151.00356	7.7
167.03496	5.9
175.03975	0.8
177.01920	20.3
189.01784	0.4
189.23605	0.5
191.05627	8.5
193.01416	29.7
199.04036	0.6
217.01361	0.5
218.22087	0.4
226.36627	0.4
241.05165	0.7
242.64795	0.4
285.04044	4.4
303.05124	27.9
353.00558	0.4
365.14432	0.5
401.47748	0.4
677.48981	0.5
784.58484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99518	4.9
69.47552	5.6
69.97462	5.1
71.01367	7.6
71.93626	5.5
79.95740	14.2
80.96503	100.0
92.68059	6.6
94.98077	13.2
104.70271	6.4
106.14462	6.0
118.04459	7.1
152.98654	11.4
158.76169	6.2
164.98491	8.5
177.90326	6.6
225.00693	27.7
269.45810	5.6
311.23914	6.8
442.74789	7.2
617.55396	6.5
619.46387	6.6
629.40863	6.3
729.23987	7.2
761.41302	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
63.98646	0.8
76.95843	1.0
82.56136	0.9
92.10105	1.1
92.10632	4.1
123.18846	1.1
186.03644	1.0
188.05267	0.9
199.71576	1.0
289.25143	1.2
313.20016	1.0
333.92883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
59.01370	0.9
60.99314	0.1
67.01883	0.4
69.03442	0.1
71.01382	0.6
73.02937	0.1
83.05023	0.3
85.02941	6.4
87.00865	1.5
93.03442	3.3
99.04487	0.3
109.02959	0.5
111.04526	1.0
113.02441	0.2
117.03407	0.1
119.05009	0.9
125.02325	0.1
125.79691	0.1
127.04002	1.9
143.03531	0.1
145.02921	0.9
155.03452	0.1
163.03996	1.1
171.02989	0.5
173.04523	1.6
191.05603	100.0
192.05940	0.8
192.86328	0.1
206.55827	0.1
228.46022	0.1
230.34256	0.1
232.00043	0.1
337.09293	14.8
338.09543	0.2
396.60226	0.1
414.08432	0.1
693.21069	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	761.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
60.99306	21.0
64.57581	0.5
71.01382	0.5
74.21608	0.5
87.00861	1.2
88.00374	0.8
88.98790	100.0
89.02431	4.1
92.63525	0.5
96.95996	1.9
100.93613	0.5
115.35896	0.5
116.92838	1.1
143.43231	0.5
151.00317	1.3
179.99240	0.6
184.50467	0.5
191.05528	2.6
209.11842	0.6
285.03998	0.8
345.73578	0.5
595.44891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
96.39217	4.0
115.57774	4.1
134.92160	4.7
162.64185	5.1
174.52037	4.7
187.41658	4.9
209.11798	100.0
217.65276	4.2
227.12794	17.6
277.21680	61.9
651.06775	4.8
759.41003	25.4
765.64709	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89898	2.8
64.52963	2.5
64.67695	2.6
67.03493	2.6
73.73447	2.8
76.68069	2.5
87.02821	2.6
137.89374	3.2
209.11815	44.4
227.12912	6.9
235.08208	5.5
253.09346	5.4
277.21707	100.0
292.38840	3.1
462.21439	3.5
759.41309	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	759.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.7
62.93055	4.0
69.83690	4.7
78.60776	4.7
87.06803	4.6
114.47424	4.9
181.12390	5.0
195.73964	4.7
209.11885	62.4
227.12978	8.0
248.67513	5.0
253.09453	8.0
253.21724	100.0
277.21750	30.4
316.57440	4.6
480.22412	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	759.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73336	18.3
59.89274	18.1
60.26359	20.6
61.98822	41.0
92.10138	44.6
93.53383	21.4
163.05333	19.6
195.66966	21.6
196.38103	24.3
209.11884	77.7
277.21698	100.0
378.29819	25.9
392.43256	21.8
606.50226	26.5
740.11633	25.5
759.40668	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	759.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.8
61.98832	1.4
70.87307	0.8
71.01369	1.5
71.62186	1.0
83.01318	1.0
87.00899	1.3
89.02437	1.8
97.02934	4.2
101.02434	2.5
109.06586	10.0
142.02711	0.9
163.11241	9.0
181.12253	1.8
189.09190	1.6
207.10255	40.6
210.13203	1.0
225.11311	13.2
235.08302	1.9
253.09277	6.3
255.23286	100.0
288.11386	1.0
341.72708	1.1
400.54153	1.2
443.19186	2.1
461.20712	1.9
491.32840	1.2
562.56793	1.1
699.43073	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98630	2.2
78.95893	48.9
91.04788	2.4
92.10880	6.4
96.96938	4.1
97.06812	2.2
99.92532	4.1
113.09752	3.1
146.84039	2.5
152.99574	64.3
154.10036	2.4
168.95642	2.5
171.00577	5.7
195.13905	30.1
227.03044	4.6
253.21707	16.8
255.23282	65.7
277.21680	16.5
290.11237	2.7
293.21265	17.8
295.22791	84.6
457.86273	2.7
488.33600	2.6
506.92725	3.1
519.38104	2.5
523.26733	56.3
756.75067	3.1
759.48358	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	759.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34321	0.1
53.39562	0.1
59.01375	0.8
63.26658	0.1
67.01880	0.2
69.03444	0.1
71.01386	0.4
73.57628	0.1
75.26469	0.1
79.88124	0.1
81.03462	0.2
85.02938	6.5
87.00856	1.5
93.03437	2.9
99.04504	0.2
107.04858	0.1
109.02940	0.5
111.04497	0.9
112.52204	0.1
113.77815	0.1
125.02454	0.1
127.04007	1.9
133.02946	0.7
135.04523	1.2
137.02406	0.2
151.55832	0.1
152.32190	0.1
155.03505	0.1
161.02425	2.2
171.02991	0.6
173.04533	1.2
179.03484	0.8
191.05609	100.0
192.05998	1.0
209.04416	0.1
353.08786	11.4
354.09012	0.2
580.81201	0.1
657.76862	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	759.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17036	21.1
70.16535	19.1
80.96432	20.5
92.10901	43.4
106.31229	24.7
106.98781	22.4
150.03098	23.2
279.23212	100.0
447.23947	27.6
792.17822	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62756	57.8
61.86638	62.7
62.03116	63.7
63.50778	55.2
64.91287	55.2
84.06208	64.1
87.00072	72.0
92.10793	85.5
105.18645	64.6
110.09135	62.5
207.10277	80.7
243.70273	80.5
276.66846	79.9
279.23352	100.0
351.50671	61.3
723.42737	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.0169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	93.4
59.93682	1.3
70.18588	1.4
71.01374	1.6
75.36572	1.5
78.95892	49.7
96.96950	8.0
116.91860	1.4
117.00428	3.5
132.98238	2.5
159.01495	36.7
174.99243	35.6
201.02596	20.6
217.00305	100.0
219.41106	1.6
259.02243	1.7
274.99435	2.2
290.97385	1.9
301.02661	12.8
317.00443	22.1
332.98135	6.9
359.01505	8.9
374.99362	13.3
459.01266	1.9
474.99057	5.7
481.71069	1.6
515.07800	1.9
542.38477	1.6
556.98254	15.7
567.92987	1.6
673.21112	1.7
714.70728	1.9
759.15863	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	759.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31440	0.5
59.01387	4.2
71.01381	3.3
79.94909	0.7
83.01405	0.7
85.02934	2.6
88.22282	0.5
89.02449	3.2
93.03448	3.0
96.95989	1.4
101.02447	1.3
108.02180	2.6
109.02935	3.7
110.01582	0.6
113.02428	1.1
121.02930	3.7
122.03689	0.8
123.00871	3.8
123.04487	0.8
124.01624	1.3
125.02409	1.3
134.03653	0.8
135.04558	1.2
136.01643	75.6
137.02437	12.0
139.03983	1.4
146.03723	0.8
147.04344	0.6
149.99681	0.6
150.03206	0.7
151.00356	12.2
151.03993	100.0
152.01108	1.1
152.04787	2.4
159.04492	1.1
160.05225	2.9
161.02490	1.4
161.06023	1.1
162.03218	2.5
163.04015	1.4
164.04762	0.9
166.02690	52.9
167.03448	4.5
175.04015	3.4
175.07622	0.9
176.04709	0.8
177.01906	4.0
177.05547	3.0
179.03436	1.1
179.05699	0.8
179.07126	1.0
181.05051	64.0
182.05763	2.5
187.04077	0.9
189.05511	4.1
190.02667	0.6
190.06323	3.8
191.03520	3.6
191.05574	8.3
191.07034	1.0
192.04251	0.6
193.04999	1.0
195.02930	1.1
205.05020	4.5
205.08650	2.8
206.05815	4.4
220.07428	1.3
221.08205	9.1
233.08199	0.9
279.06503	0.6
282.05222	0.6
294.05283	0.9
297.07678	1.3
309.07507	1.2
312.06198	0.8
324.09979	1.2
327.08551	2.7
327.12057	1.7
329.10413	4.3
341.13910	0.8
342.11090	10.0
354.11157	0.8
357.09674	20.1
357.13477	32.6
369.13501	2.1
371.15329	0.8
372.12088	19.4
387.14499	93.8
388.14850	1.3
416.63895	0.7
567.22272	8.3
597.23474	39.7
759.28607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65260	0.1
56.00230	0.1
59.01353	0.1
61.98826	100.0
65.53611	0.1
67.33022	0.1
78.95868	0.1
79.47186	0.1
85.02963	0.1
92.10057	0.2
163.18567	0.1
167.90688	0.1
168.39287	0.1
191.05580	0.8
209.11893	0.2
210.12190	0.2
236.19940	0.1
249.18536	0.2
250.18932	0.4
277.21866	0.1
522.23297	0.1
529.25659	0.1
535.85596	0.1
605.33539	0.1
620.56091	0.1
715.29553	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	758.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00737	0.1
59.01369	0.6
59.28862	0.1
60.23736	0.1
61.98825	100.0
71.01380	1.3
71.13232	0.1
78.95908	0.2
82.83175	0.1
83.05025	0.3
83.54667	0.1
89.10265	0.1
92.10825	0.5
92.62460	0.2
101.43153	0.1
171.10193	1.1
172.10580	0.2
181.08708	0.9
182.09003	0.2
191.05580	0.2
207.10170	0.2
277.21820	1.0
278.21970	0.7
388.68317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53185	1.9
59.01384	8.7
61.98831	25.3
62.34555	2.0
71.01378	61.0
71.01748	3.2
83.05051	2.3
83.33407	2.1
95.57988	1.9
97.06477	2.6
171.10237	37.1
197.11801	4.8
199.09796	4.6
207.10207	13.2
225.11333	9.6
235.08070	2.7
253.09189	5.3
269.84415	2.2
277.21680	100.0
278.86768	2.3
293.70181	2.4
518.43451	2.5
721.41577	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	758.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02393	1.6
59.01378	3.4
61.42205	1.7
61.98825	100.0
78.95879	2.6
92.10175	2.5
112.70795	2.0
165.12709	2.2
183.13887	17.8
201.11319	4.4
209.11844	12.9
216.52592	2.4
249.18565	26.9
251.20256	2.9
253.09175	2.3
255.23264	11.5
281.44614	2.2
300.38614	2.0
337.19504	2.3
349.58527	2.0
518.38190	2.0
535.49237	2.3
695.40106	36.2
708.44598	12.5
753.57678	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	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87925	1.0
59.01380	9.0
61.98835	10.5
65.16088	1.2
71.01372	100.0
73.02920	1.3
83.77292	1.2
89.02442	1.4
93.96085	1.7
101.02438	2.7
109.06572	4.4
113.02518	1.6
127.11281	1.5
135.04347	1.3
163.11203	2.2
171.10263	77.2
191.05536	1.3
199.09763	7.0
199.54108	1.1
201.11298	4.9
207.10245	15.7
215.12924	1.5
225.11340	8.5
235.08089	2.1
249.49991	1.3
253.09190	7.7
274.83142	1.1
277.21719	78.7
278.22293	1.3
340.18387	1.4
378.59659	1.3
421.43039	1.5
461.20404	1.5
721.41431	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.6
61.98826	48.1
71.01374	82.1
79.72367	2.5
86.38046	2.5
93.60763	2.8
101.02448	3.3
109.06602	10.4
114.39252	3.2
147.18213	2.8
163.11290	4.8
165.42409	2.5
168.40195	3.0
171.10252	100.0
199.09746	18.9
201.11368	11.0
207.10301	32.3
225.11298	15.5
244.10262	3.0
246.60005	2.8
253.09341	11.9
277.21692	73.5
617.66754	3.5
721.41504	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	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22602	1.9
59.01385	15.4
61.98828	35.9
71.01366	88.9
71.01737	3.6
86.12603	2.5
89.02412	2.9
92.10143	10.2
95.82524	2.4
96.41644	2.4
122.49993	2.5
171.10248	43.3
171.29625	2.3
187.67184	2.4
191.90854	2.7
199.09813	3.6
207.10274	13.7
253.09337	4.6
257.32288	2.9
277.21704	100.0
278.22098	3.1
332.20074	2.9
471.43066	2.7
520.34601	2.5
536.83673	2.5
568.21088	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	757.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
60.11126	1.3
60.22991	1.0
71.01379	2.2
72.36898	1.2
73.02968	1.5
76.23486	1.3
85.02966	8.0
86.04868	1.2
87.00858	24.0
93.03431	14.2
96.95989	2.3
96.96928	1.4
108.02180	8.0
109.02956	3.3
111.00972	1.4
111.04537	4.9
113.02425	1.9
121.02940	6.5
123.04532	2.2
133.02925	8.7
150.03329	1.6
151.03958	1.5
152.01103	16.2
153.05592	1.6
163.03993	8.5
164.04790	6.1
165.05531	2.3
173.04503	10.4
176.04771	3.2
178.06335	8.5
179.03523	2.4
179.07077	13.8
181.05070	5.6
181.63672	1.3
191.03629	7.2
191.05591	84.0
191.06949	3.5
192.05995	2.1
193.04890	2.2
194.05865	5.2
205.05054	5.0
206.05803	5.5
209.08205	5.6
218.05754	2.2
219.02925	1.6
221.08199	2.8
237.07661	1.9
247.02426	2.0
249.07491	2.1
254.45689	1.3
262.04770	2.8
265.07114	28.3
277.07123	15.1
295.08167	14.5
355.10196	14.7
383.10022	2.6
401.10867	100.0
402.11322	2.1
447.11224	10.9
630.39703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
67.01897	0.5
71.01383	0.8
76.55752	0.1
79.00091	0.1
81.03473	0.1
83.05024	0.3
85.02945	6.5
87.00862	1.7
88.38581	0.1
89.02451	0.2
89.03035	0.1
92.10172	0.3
93.03447	4.4
99.04500	0.2
109.02937	1.0
111.04494	1.3
120.99635	0.2
125.02410	0.2
127.03989	2.2
133.02911	0.2
134.03708	1.7
135.04497	0.2
137.02405	0.3
143.03502	0.1
160.01726	0.4
161.02429	0.2
171.02968	0.6
173.04501	2.0
175.04004	0.2
191.05602	100.0
192.05898	1.6
193.04929	0.3
217.93311	0.1
224.68140	0.1
293.05478	0.1
327.05267	0.2
350.78427	0.1
354.09482	0.2
361.47006	0.1
367.10321	13.7
368.10739	0.1
401.18036	0.2
592.58630	0.2
647.53839	0.2
769.67645	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	756.417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.70729	0.3
73.24752	0.3
77.00784	0.3
87.77317	0.3
99.72804	0.4
145.79181	0.3
292.95886	0.3
299.25937	0.5
384.29221	0.3
484.06696	0.3
521.80249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03438	1.3
59.01372	3.2
60.99298	1.3
62.82039	0.1
67.01884	3.1
68.02201	0.3
69.03442	1.0
69.63411	0.1
71.01366	3.3
72.99286	0.3
73.02939	0.4
75.00864	2.0
81.03459	0.7
83.05026	0.7
85.02937	8.4
87.00857	6.0
89.02415	0.4
93.03438	25.6
94.03768	1.2
95.01378	0.8
99.00877	1.9
99.04510	0.3
107.05026	0.3
109.02940	1.1
111.04512	4.1
113.02426	2.4
115.03978	0.2
117.01949	0.4
121.02930	11.6
127.03977	1.4
129.01895	0.7
133.02916	1.1
134.03712	2.5
135.04509	18.7
137.02420	0.7
153.05548	0.8
155.03493	1.1
161.02420	2.9
171.02957	0.3
173.04529	12.1
174.04871	0.2
175.05016	0.2
179.01897	0.2
179.03477	7.3
191.05602	100.0
192.05956	4.6
193.06273	2.1
194.06496	0.2
231.05109	0.4
249.06143	5.8
263.27155	0.2
297.36948	0.2
335.07822	1.4
353.08789	24.7
354.09079	0.4
367.10315	2.7
368.10748	1.5
369.11066	1.6
370.11221	0.6
371.09833	12.3
389.06442	23.2
390.07077	0.7
421.16211	0.3
562.73334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03500	0.7
54.81805	0.8
59.01373	2.3
61.98814	1.0
64.33582	1.0
68.72340	0.8
71.01379	1.5
80.02673	1.4
83.05022	4.1
89.02401	1.1
92.10201	2.7
101.02419	1.8
113.02426	1.1
163.11273	6.1
165.12880	2.2
191.10721	1.3
209.11819	100.0
210.12241	1.5
227.12944	8.0
227.74327	1.1
253.09233	5.6
277.21701	68.2
363.48764	1.1
629.21539	1.3
737.73987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89314	0.1
59.01383	0.2
61.98824	100.0
68.36711	0.1
81.00359	0.1
90.13919	0.1
97.24232	0.1
140.51651	0.2
148.54610	0.2
163.11166	0.2
165.50510	0.2
207.10265	0.2
249.18584	0.3
250.18958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19815	58.5
70.54212	57.0
70.57865	63.1
75.82205	58.0
92.10810	92.5
137.60246	75.0
161.57098	71.4
208.52600	71.1
290.02634	100.0
405.81555	74.3
416.37500	92.5
424.65991	92.8
456.85928	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.1
62.64216	1.6
71.01374	2.8
78.91879	2.3
85.02949	2.4
92.10816	4.4
97.95908	1.6
101.02457	3.6
111.08173	10.2
113.02454	3.6
121.68957	1.7
123.31799	1.9
161.04535	2.8
165.12811	10.5
169.12352	3.4
183.13878	100.0
191.05646	11.5
197.11818	39.4
209.11768	2.1
211.13472	4.0
227.12811	3.4
253.09149	1.8
263.20309	1.7
282.91437	1.9
291.19696	7.1
292.11478	1.9
309.20605	8.7
347.76242	1.6
552.25739	1.8
562.48962	1.8
755.42188	76.6
772.21564	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	755.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.5
71.01391	7.2
72.02652	1.4
73.68334	1.4
81.03439	2.7
83.05035	4.5
85.02963	2.9
87.00896	3.0
89.02444	3.5
96.95976	2.1
101.02472	3.9
105.47773	1.6
111.08146	14.1
116.92877	2.6
162.70999	1.5
163.11263	4.4
165.12888	2.6
169.12375	3.0
171.10342	3.2
191.05539	11.5
197.11842	56.1
199.13483	2.0
209.11824	100.0
209.13809	3.4
211.13397	10.4
225.11369	2.7
227.12857	10.0
253.09293	14.3
267.14499	1.8
273.18829	1.9
291.19684	16.5
293.21170	7.4
305.31992	1.7
309.20688	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63990	0.1
56.35495	0.1
57.03441	0.8
59.01374	1.7
60.99302	1.5
67.01882	4.7
68.02219	0.1
69.03437	1.6
70.26250	0.1
71.01369	2.2
73.02934	0.2
81.03440	1.4
83.05006	1.0
85.02936	5.3
87.00861	9.3
89.03976	0.2
91.13926	0.1
92.10766	0.3
93.03438	34.5
94.03794	0.3
99.00867	0.7
99.04494	0.6
101.02397	0.3
103.33223	0.1
109.02937	0.9
111.04505	5.0
113.02435	0.5
115.03962	0.2
117.03446	1.2
125.02413	0.1
127.03993	1.8
129.01884	1.2
133.02969	0.2
134.03719	13.3
135.04425	0.5
135.85374	0.1
137.02422	0.4
143.03516	0.2
149.06039	1.3
155.03481	1.0
160.01610	0.6
171.02904	0.3
173.04529	9.1
175.03998	0.8
178.02657	0.5
191.05608	100.0
192.05954	1.7
193.04977	6.0
193.06532	0.2
209.27634	0.1
219.02721	0.1
234.43211	0.1
367.10330	28.0
368.10617	0.7
369.11121	0.2
387.16544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47810	3.3
78.95892	27.6
80.92550	3.3
106.17446	3.2
124.08055	3.2
132.85045	3.3
152.99547	8.0
154.57553	3.7
154.86197	3.5
186.95441	3.6
195.13853	17.2
256.07431	3.4
261.34146	3.6
277.21631	16.9
279.23270	100.0
280.23682	6.0
288.61975	4.0
295.22772	39.7
296.67050	3.8
466.63864	4.2
754.50293	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2033
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01389	0.3
63.02423	0.4
65.00309	0.4
75.38080	0.4
85.02954	0.8
90.95354	0.4
92.10052	0.8
93.03444	0.9
106.25253	0.4
107.01389	2.2
108.02205	1.6
118.21096	0.4
121.02943	0.6
135.00887	0.7
135.04491	0.4
144.94441	0.4
145.34056	0.4
148.01651	1.5
151.00363	6.7
153.01973	0.4
163.00398	1.6
164.01192	0.7
177.02081	0.4
178.99847	2.4
191.05609	13.4
199.03993	0.7
200.99969	0.4
215.03709	0.6
226.02733	2.0
227.03522	2.5
229.01428	0.4
243.02968	12.6
254.02176	2.6
255.02988	30.0
256.88345	0.4
271.02466	66.4
272.03012	3.1
299.01974	2.1
300.02753	100.0
301.03500	7.0
337.09354	1.9
365.18228	0.4
755.20361	33.2
756.21454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.9
59.01375	7.1
61.41646	0.4
63.02394	1.0
65.00314	4.7
66.31234	0.4
67.01889	0.9
69.03444	1.8
71.01373	2.0
73.02928	0.7
77.03922	0.4
81.03442	0.5
83.01376	5.4
85.02943	8.3
87.00845	3.3
89.02397	0.5
92.64223	0.5
93.03438	11.6
95.01365	1.1
96.95997	1.7
97.02944	3.3
99.00854	4.6
101.02421	1.7
107.01369	8.8
108.88760	0.4
109.02932	16.5
111.04515	2.1
113.02441	1.1
115.03977	0.6
121.02927	6.7
123.00874	0.8
123.04465	0.9
125.02412	44.0
126.95657	0.4
127.03978	1.9
133.02922	2.2
135.04527	2.6
137.02417	29.2
139.03975	3.1
145.02997	0.5
147.00818	0.9
147.04549	0.6
148.01643	8.9
149.02417	22.8
151.00343	31.4
151.03905	0.7
153.01898	10.4
161.02431	2.8
163.00319	0.8
163.04047	0.7
165.01892	18.5
167.03429	1.1
169.00008	1.0
169.01395	21.1
173.04529	3.0
175.00354	6.4
175.04057	0.5
178.99860	6.7
179.03456	0.8
181.01399	5.3
183.02956	48.6
187.03986	0.6
191.05592	100.0
192.05917	2.8
193.01399	30.2
205.05127	0.6
209.00916	21.4
229.04959	0.7
229.08533	0.6
255.06659	2.3
257.04401	3.3
259.02255	0.5
273.03967	1.0
273.07605	1.8
289.07208	0.5
301.03543	11.5
302.61691	0.5
303.40768	0.5
319.04575	49.9
321.03873	0.6
331.17465	0.5
339.05121	0.6
351.07101	0.5
353.08832	6.0
407.06757	0.5
465.19742	0.7
467.15607	0.7
520.08185	0.7
645.89880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27741	3.6
59.01383	13.6
59.54397	3.1
63.50871	3.1
69.03457	5.4
71.01383	5.5
87.00920	4.3
91.07555	4.0
92.10156	11.7
93.40605	3.6
101.02451	6.6
123.08103	4.0
125.24902	3.8
135.04543	3.3
145.97296	3.6
179.10768	7.1
184.16614	3.7
191.05569	32.5
194.54068	3.7
195.13890	7.0
197.11832	100.0
268.84686	3.6
293.21277	15.0
487.33932	4.4
531.25885	4.9
686.97400	4.0
753.40887	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81718	0.6
59.01373	18.8
59.51894	0.6
60.22690	0.5
61.78753	0.6
62.79821	0.6
66.96953	0.5
69.03477	0.7
71.01363	1.4
89.02416	2.7
101.02412	1.2
113.02477	0.8
119.03471	0.8
131.71498	0.6
132.66177	0.8
153.12769	0.7
161.04474	0.9
169.12263	5.0
196.45526	0.7
197.11823	58.3
235.08176	3.1
237.12056	0.7
253.09268	6.2
277.21698	100.0
278.22113	1.5
513.30499	1.3
558.87567	0.8
565.33472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.7
60.62043	3.4
65.46741	3.1
71.01394	6.4
72.83952	3.2
81.03465	5.0
83.05034	5.9
85.02989	6.3
97.02936	14.6
97.06573	5.0
97.17217	3.4
101.02434	6.7
109.06582	40.1
111.08122	8.3
116.92828	4.1
123.04539	5.2
125.09689	5.7
130.69000	4.0
134.46237	3.4
135.08118	4.7
163.11296	30.8
179.10703	3.4
186.43932	3.8
191.05609	19.8
197.11841	54.2
207.10255	100.0
209.11838	95.2
211.13405	6.0
225.11293	42.7
227.12723	4.0
245.19083	8.7
253.09312	24.2
289.17981	26.5
291.19684	7.4
307.18964	26.6
309.20703	47.5
441.23468	3.7
461.20526	14.4
484.30878	3.5
753.40570	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32701	0.2
57.03437	0.2
59.01376	3.2
60.99308	0.3
67.01894	1.0
69.03461	0.3
71.01367	2.4
73.02946	0.2
75.15416	0.2
81.03439	0.5
83.05035	1.0
85.02935	13.8
86.03249	0.3
87.00861	3.7
88.98795	0.4
89.02386	0.3
93.03430	7.8
99.04510	0.5
101.02435	0.4
107.01365	0.2
109.02962	1.3
111.04506	2.3
113.02453	0.9
121.02869	0.3
126.57663	0.2
127.03974	3.4
133.02925	4.0
135.04498	4.2
137.02420	0.4
149.02489	0.4
151.00383	1.8
155.03453	0.4
161.02443	1.1
171.02966	1.5
173.04514	3.3
174.03189	1.5
175.03976	1.1
177.01961	0.3
179.03481	1.8
187.03925	0.2
191.05597	100.0
192.05917	1.1
199.04036	1.0
204.53294	0.2
211.36519	0.2
213.05632	1.9
217.05055	0.3
227.03430	0.4
227.06958	0.4
228.08012	0.3
283.13089	0.3
285.04019	24.1
286.04276	1.3
316.04034	0.2
335.39014	0.2
355.22522	0.5
373.24103	0.3
381.20673	2.7
399.22098	0.9
449.14706	1.5
467.15616	1.4
561.27069	13.2
579.27679	0.5
753.33655	7.3
754.33728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03459	0.7
59.01374	8.4
65.03956	0.4
65.69167	0.3
67.01910	0.5
67.57316	0.3
71.01369	6.3
71.01736	0.3
73.02943	1.5
81.03458	0.5
83.01372	0.5
83.05009	1.0
83.55854	0.3
85.02937	7.2
87.00861	2.2
89.02403	0.3
89.33866	0.3
92.10125	0.3
93.03434	9.8
95.01369	0.4
95.04992	0.5
99.00877	0.5
101.02431	2.8
106.03684	0.4
106.04231	17.6
107.05020	35.3
108.02168	3.7
109.02962	1.8
111.04513	2.1
113.02434	2.5
121.02933	4.7
125.02435	1.3
127.03998	1.4
138.03204	1.6
161.04555	1.3
171.08223	0.3
173.04523	3.1
177.01973	0.4
187.07596	0.5
191.05602	37.4
192.05856	0.6
209.13826	0.3
213.09209	100.0
214.09508	1.8
231.10254	1.5
257.08179	76.1
258.08554	1.7
333.18839	0.3
360.77252	0.3
361.15079	0.3
375.20068	1.2
419.13495	29.8
420.13870	0.6
423.48911	0.3
431.13489	3.6
449.14542	3.6
659.44623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08445	5.3
58.07037	5.7
59.01389	6.2
61.98827	46.1
62.73547	5.0
64.91689	5.6
67.27359	5.6
69.17030	5.5
76.67771	5.8
78.95910	10.3
82.95425	7.8
87.00872	7.1
87.61423	6.5
93.03477	12.5
96.95992	81.5
100.72115	6.0
135.04468	26.3
148.73022	7.0
175.75273	6.5
191.05620	79.7
206.11684	7.3
207.10265	38.2
209.11807	37.5
211.13507	6.2
253.09151	6.6
273.17001	60.0
395.29315	8.9
413.30481	100.0
531.33142	28.9
544.11884	7.9
650.06036	7.4
717.37000	37.9
753.34772	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	753.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
57.03700	0.1
59.01372	1.3
60.99299	1.2
62.30729	0.1
63.35297	0.1
67.01880	4.6
69.03448	1.6
71.01367	2.0
73.02934	0.2
81.03433	1.1
83.05021	0.7
85.02939	5.2
87.00858	8.6
93.03437	30.1
94.03801	0.2
94.07203	0.1
97.02946	0.2
99.00857	0.6
99.04491	0.6
102.88133	0.1
109.02947	0.9
111.04502	5.4
113.02422	0.6
117.03436	1.1
120.43003	0.1
125.23859	0.1
127.03990	1.6
129.01930	1.2
134.03712	11.8
137.02422	0.2
143.03490	0.2
147.04446	0.2
149.06009	1.1
155.03453	1.0
160.01622	0.5
171.03014	0.6
173.04521	9.2
175.03966	1.0
178.02657	0.2
191.05598	100.0
192.05931	1.0
193.05034	6.2
200.20525	0.1
219.03003	0.9
249.05629	0.1
251.06975	0.2
279.06586	0.7
305.04584	0.6
323.05557	0.5
337.07077	0.2
367.10324	30.9
368.10815	0.8
428.02948	0.1
636.60822	0.1
701.61127	0.1
721.19843	0.3
753.22260	0.6
772.17310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01374	9.4
60.54121	0.3
64.55730	0.3
65.03977	0.4
65.67480	0.3
67.01890	0.5
71.01364	4.7
72.48019	0.3
72.69666	0.3
73.02957	1.9
81.03458	0.6
83.01399	0.6
83.05009	1.2
85.02934	5.4
85.03345	0.3
87.00882	1.4
89.02455	0.6
91.95190	0.4
92.10766	0.7
92.77502	0.3
93.03432	11.1
95.01358	0.5
95.05030	0.5
99.00892	0.5
101.02389	2.8
106.04227	18.2
106.90292	0.4
107.05016	33.5
108.02152	4.0
109.02980	1.5
111.04552	0.7
111.22147	0.4
113.02460	1.6
121.02942	5.7
125.02450	1.3
126.00062	0.3
127.03994	0.6
133.02908	0.4
138.03227	1.6
161.04576	0.6
173.04503	2.1
177.01982	0.4
187.07675	0.5
191.05600	26.1
210.88113	0.3
213.09213	100.0
214.09599	1.6
231.10277	1.3
235.30235	0.4
257.08179	72.2
258.08383	1.3
275.29916	0.4
329.92035	0.3
375.20203	0.8
419.13486	28.4
420.13629	0.6
431.13461	2.3
449.14215	2.9
712.07422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01373	4.4
59.01585	0.3
60.99311	0.4
67.01894	1.9
71.01385	2.6
73.02953	0.7
76.17525	0.3
81.03462	0.6
82.98532	0.4
83.05046	0.8
85.02953	12.7
86.00697	0.4
87.00876	5.3
88.36599	0.4
89.02447	0.8
93.03448	16.6
94.30457	0.4
99.00856	0.6
99.04506	0.4
108.02200	0.8
109.02956	3.1
111.04506	3.0
113.02442	0.5
118.74378	0.4
119.05042	0.4
127.04005	3.2
129.01970	0.5
129.07101	0.7
131.05066	0.7
135.04512	0.9
135.68985	0.4
137.02477	0.5
145.02928	3.1
145.06627	0.6
146.03688	3.6
147.04500	4.1
153.01918	1.8
155.03474	0.7
155.29193	0.4
157.02991	0.5
159.04506	0.9
161.02435	0.8
171.03015	0.8
173.02423	0.5
173.04526	5.2
173.06052	4.6
174.03232	1.3
175.03987	5.9
189.05544	0.8
191.05602	100.0
192.05962	2.1
200.01169	1.9
201.01920	3.2
203.03494	2.4
205.05112	0.5
218.02223	3.1
219.02985	15.1
221.06133	0.5
223.07709	0.5
229.01360	2.5
233.06169	1.5
237.05573	0.6
248.04765	1.8
249.05550	5.2
250.06453	0.7
251.07109	8.6
253.08626	0.5
255.10069	0.4
261.05472	1.5
276.04196	1.5
277.05048	9.2
278.05811	3.0
279.06592	11.7
305.04538	19.2
311.09146	0.7
315.07291	1.7
322.04929	1.5
323.05630	9.4
337.07132	4.5
345.08957	2.3
345.59113	1.6
346.09357	3.5
346.59531	0.6
393.08289	0.5
397.11411	2.8
415.12491	2.3
497.11172	2.3
529.13483	4.1
689.17407	2.3
721.19830	14.8
722.20203	0.5
753.22571	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	752.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05895	0.1
55.65916	0.1
59.01371	0.7
59.32611	0.1
61.98826	100.0
66.60143	0.1
69.02484	0.1
71.01388	0.2
75.52309	0.1
82.10171	0.2
85.02949	0.2
87.45297	0.2
87.86143	0.2
88.98780	0.2
93.03466	0.2
104.19103	0.2
109.90154	0.2
110.71737	0.1
115.53153	0.2
135.04521	0.2
162.25330	0.2
191.05588	2.4
192.05801	0.2
207.10184	0.3
209.11856	0.2
320.99838	0.2
391.96460	0.2
501.32288	0.7
502.33752	0.2
616.98334	0.2
725.45081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93888	8.7
55.44643	9.1
77.48363	7.9
78.95912	53.2
89.40614	10.1
109.35787	9.6
111.72619	9.8
131.65633	10.5
152.99541	21.6
178.10037	9.9
220.06653	8.6
262.61221	9.4
277.21652	66.3
279.23297	91.2
293.21191	42.3
295.22772	16.3
752.48987	100.0
781.76288	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	753.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.99318	0.4
63.02400	0.3
65.00326	1.2
67.01894	2.2
67.14075	0.2
69.03470	0.4
71.01381	0.6
72.43935	0.2
83.01398	1.1
83.05048	0.3
85.02936	2.3
87.00882	2.7
92.59364	0.2
93.03445	13.3
96.98962	0.3
100.56974	0.2
105.03460	0.5
107.01377	2.4
109.27634	0.2
110.98486	0.2
111.04513	1.4
121.02927	0.5
127.03986	0.5
129.01920	0.3
133.02934	18.3
134.03752	1.8
135.04504	7.4
137.02386	0.6
149.02402	3.4
151.00365	7.2
151.04007	0.6
160.01630	1.0
161.02444	0.5
169.01410	0.2
173.04565	4.0
173.05911	0.4
174.03218	0.3
175.03990	3.9
177.01843	0.8
178.02657	0.5
179.03458	2.7
189.05659	0.3
191.05605	19.1
198.03235	0.5
199.04010	3.0
201.01891	1.5
207.66618	0.2
213.05553	0.6
215.03465	0.4
217.05048	2.0
241.05011	1.1
243.02852	0.4
257.04343	0.3
285.04034	100.0
286.04364	2.4
308.09052	0.3
335.17368	0.3
352.07834	0.3
372.45486	0.2
391.07819	0.2
399.34268	0.2
449.14505	6.9
467.15527	7.1
474.24939	0.3
561.26990	1.0
753.33069	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	751.391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83651	0.4
57.03458	0.4
59.01376	39.7
60.99295	0.5
62.51223	0.4
71.01374	3.9
73.02934	0.4
79.06471	0.4
83.01414	0.6
83.04985	0.8
85.02957	3.4
88.98793	0.8
89.02448	2.6
93.03446	2.2
96.96019	0.7
101.02436	2.7
113.02431	2.5
119.03494	1.0
126.70205	0.4
135.04475	2.7
161.02383	0.6
161.04552	0.6
163.11211	0.4
173.04489	0.6
179.03500	0.5
186.27292	0.4
186.83583	0.4
191.05612	11.7
201.11334	5.6
209.11833	20.9
227.12871	2.9
253.09312	1.0
264.42554	0.5
379.30222	0.5
389.28656	0.5
401.28452	0.8
407.29477	0.9
409.30835	1.7
419.29898	0.5
421.31039	2.6
425.30667	1.9
431.51675	0.5
439.32056	0.9
441.33728	12.5
453.30273	0.7
457.33740	0.6
485.32745	19.5
499.34439	3.6
503.34070	6.0
545.34851	100.0
546.35352	2.8
559.25629	0.6
587.35596	1.1
707.40289	0.6
732.44635	0.5
751.30292	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	751.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54071	0.1
63.13490	0.1
63.19656	0.1
67.79090	0.1
73.02941	0.8
73.88899	0.1
76.56081	0.1
78.95908	0.1
99.00825	0.2
99.92562	8.8
100.92577	0.2
114.93388	0.7
116.92836	100.0
117.01920	1.4
117.92856	1.3
188.21402	0.1
191.05574	0.2
196.12103	0.1
294.13062	0.2
364.23849	0.1
384.34085	0.1
471.46277	0.1
496.48865	0.2
538.56274	0.1
765.23975	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38277	0.1
58.43123	0.1
69.71744	0.1
71.01382	0.1
73.02945	0.5
97.13571	0.1
97.46277	0.1
97.73882	0.1
99.00861	0.3
99.92570	8.3
100.90755	0.1
111.00534	0.1
114.21848	0.1
114.93395	0.6
116.92845	100.0
117.01930	1.0
117.92857	1.3
129.83627	0.1
133.22600	0.1
145.02898	0.2
191.05618	0.1
200.72466	0.1
217.32202	0.1
275.20151	0.1
293.21188	0.4
408.26581	0.1
457.33261	1.0
501.96451	0.1
587.79547	0.1
758.92834	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68063	0.8
55.01885	0.7
57.03442	0.9
58.00592	1.1
59.01377	100.0
71.00976	1.7
71.01369	47.7
71.05017	4.3
72.99299	4.8
73.02946	1.2
83.01382	3.3
85.02943	15.7
87.00854	3.8
89.02426	61.1
92.10869	1.4
93.03445	6.9
95.01373	4.6
101.02430	22.5
109.02926	1.3
111.04509	1.7
113.02441	19.5
119.03481	21.4
121.02924	0.7
123.04469	0.9
127.03942	0.7
131.03465	1.8
134.03705	1.5
135.04512	12.4
135.75787	0.7
137.02420	1.6
143.03461	3.9
148.05270	1.1
150.03273	0.8
161.02417	1.4
161.04517	4.0
163.07635	0.7
165.01900	11.8
173.04529	3.1
179.03552	6.6
179.05594	22.4
191.05600	48.9
192.05829	1.3
301.03448	0.8
485.32742	21.6
503.33817	7.3
545.34857	58.4
546.35315	1.3
559.25476	3.8
589.28625	1.5
751.31390	5.4
770.85486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.98824	100.0
66.15282	0.3
66.94341	0.3
69.28982	0.3
75.37441	0.3
78.34104	0.4
191.05606	1.4
241.13820	0.4
381.01871	0.4
404.75681	0.5
453.37747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
74.24567	2.3
78.95911	20.1
80.96513	3.0
83.05007	5.5
84.02168	3.8
91.76558	2.3
135.08202	2.4
148.72888	2.5
152.99535	2.9
163.11276	11.8
165.12830	3.5
169.63310	2.4
184.66792	2.3
209.11823	100.0
224.06915	4.9
227.12805	5.2
241.14549	2.9
247.36461	2.2
255.23312	80.8
288.09412	2.4
514.95795	2.9
690.43555	92.7
728.59088	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	749.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10596	0.7
58.00613	0.9
59.01376	100.0
59.57062	0.6
61.98832	9.6
71.01372	15.7
71.05015	1.2
71.48750	0.8
73.02953	5.3
81.03431	0.9
82.99403	1.0
85.02950	3.9
89.02444	5.8
101.02424	6.9
113.02462	3.8
116.92833	1.5
119.03500	5.5
123.04549	1.4
135.04521	0.8
136.01601	1.2
151.04015	2.0
152.04384	1.1
179.05679	1.0
191.05579	8.4
209.11885	3.2
227.12943	1.0
285.62439	0.8
335.23761	1.0
357.13467	1.1
358.13852	1.0
421.31058	3.9
427.32050	18.6
439.32202	5.8
451.31708	0.9
453.30249	4.5
465.29837	6.3
471.31320	1.4
481.33267	24.1
482.32684	1.3
483.31198	60.8
484.31754	3.8
499.34302	4.9
521.50507	0.9
525.32098	13.0
531.33112	10.4
543.33295	80.9
544.33582	3.2
749.37714	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	749.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
58.00582	0.4
59.01374	63.8
70.22576	0.4
71.01368	8.2
72.99272	0.4
73.02946	0.6
85.02946	1.8
89.02443	2.3
90.64061	0.4
100.73903	0.4
101.02427	4.2
107.80132	0.4
113.02434	2.8
119.03492	2.5
123.04526	0.4
149.02432	0.9
175.03775	0.5
191.05603	2.2
207.10216	1.7
209.11810	2.3
225.11169	0.8
227.12929	0.5
266.98096	0.4
304.05655	0.5
311.95584	0.4
329.14017	0.6
357.22748	0.4
363.26764	0.5
384.79987	0.5
391.30093	0.7
409.31165	8.6
421.31332	3.6
439.32092	1.0
453.30243	6.3
483.31274	0.9
497.32623	4.8
513.32092	0.6
525.32208	8.6
543.33270	100.0
544.33777	3.2
557.34888	1.9
585.34296	0.9
749.37787	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	749.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
68.34251	1.1
69.30951	1.0
71.01383	15.1
71.33266	1.1
73.02946	2.8
84.91786	1.1
85.02946	2.3
89.02440	2.2
93.03467	1.6
101.02442	6.6
109.54435	1.5
113.02477	2.1
155.91595	1.1
191.05634	9.9
207.10210	2.7
209.11786	4.6
217.17793	1.2
225.11270	1.4
242.17598	1.2
301.83835	1.2
318.01721	1.8
327.40573	1.1
332.02130	1.1
379.30093	1.7
403.30148	2.2
409.31046	5.7
421.31042	16.0
453.30112	11.2
483.24207	2.2
483.31171	68.3
484.31616	2.3
497.32718	4.5
513.31665	1.2
525.31903	6.8
543.33282	82.0
544.33087	2.3
749.37915	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	748.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91097	8.0
59.01398	21.5
60.15475	8.2
89.02479	13.5
92.10167	44.7
218.39322	11.0
260.05157	10.1
279.23352	17.4
679.77313	12.3
712.53790	100.0
748.51440	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	749.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	0.8
78.44689	0.2
96.91970	0.2
99.00829	0.2
99.92570	8.3
99.93202	0.4
114.93415	0.2
116.92844	100.0
117.01933	1.2
117.92867	1.2
145.02957	0.3
256.46683	0.2
323.67288	0.2
591.52942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95049	0.1
57.93472	0.1
62.70708	0.1
66.54243	0.1
73.02943	0.7
76.70374	0.1
90.04619	0.1
99.00847	0.2
99.92570	8.9
114.93386	0.6
116.92841	100.0
117.01915	0.4
117.92876	0.8
145.02922	0.2
152.72484	0.2
156.98647	0.2
191.05630	0.6
273.48849	0.1
286.26184	0.1
329.10907	0.2
494.33890	0.2
546.53296	0.2
672.71869	0.2
754.45551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
59.01376	100.0
62.33733	1.1
71.01360	16.3
72.99328	1.3
73.02956	5.0
83.37250	1.1
85.02957	2.2
89.02451	1.7
93.03416	1.5
96.95983	1.3
97.16882	1.0
101.02426	1.6
113.02468	2.6
117.01234	1.2
125.02370	1.7
135.04506	1.7
148.83313	1.3
151.03732	1.1
175.49362	1.2
191.05537	8.3
207.10245	2.1
209.11806	4.7
262.44156	1.2
264.48154	1.5
368.13809	1.4
391.30127	1.3
403.30252	5.1
409.31033	6.7
421.31247	14.4
427.74899	1.3
437.30701	1.9
439.32251	1.8
453.30209	13.8
483.31216	76.5
484.31158	1.7
497.32773	6.0
525.32214	4.4
543.33270	97.7
544.33386	1.8
585.33777	2.3
749.38226	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	747.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98355	1.9
55.52701	2.3
59.01087	3.9
59.01374	100.0
61.53319	2.2
61.98810	2.2
71.01378	3.8
71.05003	3.7
72.99310	2.1
75.00867	3.5
76.82499	2.0
82.95382	3.4
85.02914	2.4
96.95982	56.3
96.96932	2.5
101.02409	4.7
113.02397	2.1
113.05786	2.4
119.03482	3.4
151.04097	2.2
151.07614	2.4
191.05585	22.0
203.23239	2.2
209.11787	2.7
335.23871	9.8
389.24460	2.5
425.30652	3.6
437.30634	82.5
523.30927	4.0
529.31787	32.4
541.31763	3.9
747.35651	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	747.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81394	14.5
61.98833	26.4
72.80970	15.0
75.90054	14.2
80.13420	13.5
84.80412	13.7
96.96004	100.0
135.86201	15.3
163.33813	15.6
181.08656	91.8
191.05635	63.3
207.25061	17.3
209.11890	19.5
274.81097	15.9
293.21252	33.9
487.34421	23.3
747.37482	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37575	3.3
57.03435	3.9
59.01381	18.1
68.60450	3.7
70.98985	3.3
71.01398	9.2
71.22687	3.4
72.99321	4.2
75.00869	18.3
78.95943	3.9
83.05017	4.7
83.70544	4.1
83.79638	3.8
85.02966	17.5
87.00907	5.2
92.10764	4.4
99.00900	8.7
101.02542	3.9
113.02447	9.5
121.72773	3.8
125.70962	4.3
141.88860	4.6
160.70161	3.8
209.11839	29.4
236.50511	4.2
255.23296	100.0
641.93011	4.3
715.42920	59.3
747.45367	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89294	0.8
59.01383	100.0
61.98837	1.1
68.69439	1.1
71.01382	6.6
72.99315	1.3
78.95906	1.7
85.02959	4.7
89.02443	3.9
93.03447	1.9
96.95991	20.2
96.96957	1.6
100.91166	1.1
101.02424	6.3
107.33262	0.9
113.02431	4.6
116.92854	5.0
119.03481	4.2
135.04477	1.5
135.08086	1.0
136.01633	4.6
137.02428	1.1
149.50046	0.9
151.03990	9.7
154.29288	1.1
161.04730	1.1
165.01898	1.2
185.11726	1.4
191.05600	10.7
195.25677	0.9
209.11772	1.7
243.56276	1.2
311.03964	1.2
353.35632	1.2
357.13321	5.3
425.30777	4.8
437.30606	7.0
469.29593	3.7
479.31720	1.8
497.32571	1.5
511.30304	1.3
523.30884	1.6
529.31671	56.8
530.31445	1.3
541.31702	11.4
583.32971	5.1
747.36432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48235	2.9
57.80851	3.3
59.01375	100.0
64.39809	3.0
65.18781	3.7
112.98533	3.4
148.52438	3.6
163.24831	3.9
249.05946	3.6
400.72733	4.0
473.18185	6.7
512.13074	18.3
526.15198	14.2
614.20215	75.5
646.19043	6.8
747.25189	40.2
772.29187	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	747.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25795	0.3
57.14130	0.3
58.21177	0.3
59.01376	100.0
61.98869	0.3
65.47690	0.4
69.37695	0.3
71.01385	0.4
72.64838	0.3
80.91658	0.4
85.02956	0.9
85.20538	0.3
93.03432	0.8
96.81387	0.4
106.50730	0.3
109.02909	0.4
121.02910	3.1
135.04507	0.7
139.11342	0.6
159.04442	0.5
183.10242	4.8
191.05612	4.1
209.11800	0.4
238.06541	0.5
240.04396	0.8
241.08487	0.4
251.07220	0.4
255.10263	2.1
265.08817	0.5
266.05746	0.4
269.08179	17.9
270.12521	0.6
270.72888	0.4
271.09647	0.8
281.08203	3.6
283.09772	7.5
295.09857	0.6
296.10754	0.4
297.11301	0.5
298.12103	0.5
299.09232	11.3
309.11478	0.4
310.12030	0.7
311.09262	18.7
312.09518	0.4
314.11603	24.9
325.10831	2.2
326.11557	17.3
329.13947	70.6
330.14304	1.2
341.13925	40.1
359.14859	0.5
394.72198	0.4
412.75623	0.4
569.26520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58000	0.3
55.01894	0.3
57.03447	0.6
59.01373	6.9
59.01630	0.4
61.98817	0.6
67.74712	0.4
69.03457	0.9
71.01376	0.9
81.18301	0.4
85.02958	2.0
89.02505	0.4
93.03451	0.7
101.02422	1.6
109.02928	0.8
113.02439	1.7
121.02935	5.8
122.03737	3.2
123.04517	0.4
134.03714	0.9
135.04543	0.7
136.01649	80.9
137.02402	2.2
139.11273	3.8
148.70822	0.4
149.06107	0.5
151.03998	100.0
154.02698	0.6
159.04370	0.4
160.05249	1.5
161.02386	0.7
161.04544	0.9
161.06142	0.4
162.03220	0.6
163.03944	1.5
175.07610	0.6
177.05598	0.8
181.73415	0.4
183.10262	15.7
183.94403	0.4
191.05583	5.3
203.07030	0.4
209.11801	1.0
224.96962	0.4
342.11136	5.6
357.13434	65.5
358.13803	2.2
500.08041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84489	0.2
56.34951	0.2
60.70082	0.2
63.54407	0.2
79.65887	0.2
80.70663	0.2
84.04303	0.2
85.30640	0.2
85.54809	0.2
96.96025	0.2
100.42995	0.3
120.99631	100.0
121.99934	0.2
137.02367	0.2
137.89505	0.2
138.67531	0.2
161.77061	0.2
166.02652	0.3
177.01758	0.3
191.05606	1.1
192.99644	1.0
198.49268	0.2
208.01942	0.4
223.04185	0.4
241.05342	0.9
559.01001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
60.99312	0.3
63.80184	0.2
67.01901	1.2
69.03452	0.2
71.01395	0.5
81.03469	0.3
85.02946	6.2
87.00885	2.4
93.03442	7.8
96.95989	1.1
98.97351	0.3
99.12996	0.3
109.02934	1.2
111.04516	1.8
123.04483	0.5
127.04008	2.1
133.02951	0.7
135.04501	7.3
137.02431	1.3
153.01897	0.6
153.05525	0.3
161.02454	3.4
165.43355	0.3
171.03020	0.3
173.04539	5.2
175.05206	0.3
191.05602	100.0
192.05936	6.5
193.06029	5.0
194.06314	0.7
233.06592	0.3
273.69708	0.3
353.08838	3.0
369.08371	0.3
371.09790	26.5
372.10126	1.6
373.10251	2.0
374.10715	1.4
375.10773	0.5
602.86084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03439	0.8
57.11010	0.4
58.00589	2.5
59.01377	100.0
61.98837	1.0
65.32432	0.4
71.01376	51.2
72.99290	4.0
73.02933	0.7
80.41737	0.4
83.01390	2.2
85.02946	12.8
87.00887	1.9
89.02437	57.0
90.47562	0.5
93.03444	1.0
95.01379	5.3
96.96008	2.0
101.02428	19.3
109.02919	0.7
113.02439	18.0
119.02680	0.9
119.03484	21.3
121.02944	1.0
123.00739	0.5
126.04568	0.5
131.03471	1.2
134.32333	0.4
135.04488	2.5
136.01651	1.0
143.03493	3.0
144.91650	0.5
149.02431	2.4
149.04515	2.6
150.03221	4.8
150.04254	0.5
151.03981	1.2
161.04538	3.2
164.04715	0.8
165.05548	3.2
166.02626	0.6
175.04059	0.7
177.05582	0.6
179.05606	12.3
180.04239	0.5
181.05000	0.6
190.06320	0.5
191.05574	3.2
195.06595	1.0
207.06476	0.7
266.05814	0.6
386.13879	0.7
387.14520	1.0
496.51318	0.5
535.19745	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	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03441	2.3
58.00596	3.4
58.78608	0.5
59.01376	100.0
65.30938	0.5
71.01375	50.2
72.99291	4.8
73.02940	0.7
78.36879	0.5
83.01386	2.0
84.37209	0.5
85.02945	11.4
87.00866	2.3
89.02438	61.5
89.67768	0.6
92.10730	0.6
93.03432	1.1
95.01374	4.7
101.02432	21.8
109.02930	0.8
113.02451	19.2
119.02690	0.9
119.03486	19.0
121.02930	3.0
121.62881	0.5
122.03708	2.3
131.03473	1.2
133.02895	0.6
135.04512	4.5
136.01628	2.0
143.03455	2.5
146.03694	0.7
149.02402	5.0
149.04549	1.0
150.03235	10.3
151.00299	0.9
151.03999	4.3
161.02371	0.6
161.04514	3.1
163.03967	1.1
164.04695	1.8
165.05573	8.8
166.02649	2.5
175.04057	0.6
179.03394	0.6
179.05626	10.1
179.07076	1.2
181.05051	3.1
190.06299	1.1
191.05534	4.8
192.04198	0.9
195.06660	4.4
219.73888	0.5
339.74991	0.6
380.54141	0.7
386.13626	0.8
387.14203	3.7
427.21271	0.6
535.19659	12.1
583.22168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98827	5.7
65.71505	0.5
66.44309	0.4
69.21992	0.4
71.01397	0.7
71.79696	0.5
73.61982	0.5
79.01885	0.5
83.01386	0.7
85.02946	0.7
89.45368	0.5
93.03452	2.2
96.95979	3.8
101.02385	0.5
108.02204	0.6
109.02948	2.6
116.92813	0.5
119.05000	0.5
121.02943	2.1
125.02402	1.0
133.02934	12.1
135.04520	2.5
137.02458	0.7
147.04512	1.2
149.02411	0.9
151.03983	1.1
155.66862	0.6
161.02399	2.2
163.00308	0.9
163.03992	3.9
165.01878	1.1
171.10257	0.6
175.03989	4.2
177.01906	2.0
187.29340	0.6
191.03702	1.5
191.05571	9.6
193.01363	0.9
199.04051	1.2
201.01877	1.1
209.11819	3.6
213.05551	1.1
225.05516	0.8
227.03398	0.7
237.05539	0.5
240.04300	0.6
241.05045	0.6
253.05048	0.8
269.04443	1.1
271.06235	0.8
281.04553	0.7
284.03250	11.7
285.04044	7.0
297.04025	16.4
298.04791	14.5
299.05588	24.1
309.04037	1.1
311.05637	3.1
324.02927	0.9
327.05087	100.0
328.05634	1.2
339.05212	4.6
343.63507	0.5
353.91489	0.5
357.06192	20.1
381.06033	0.9
390.25372	0.6
392.43729	0.6
393.35037	0.6
417.08258	54.0
418.08368	0.7
454.64893	0.6
502.80701	0.6
655.19916	1.2
745.23584	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	745.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98827	5.7
65.71505	0.5
66.44309	0.4
69.21992	0.4
71.01397	0.7
71.79696	0.5
73.61982	0.5
79.01885	0.5
83.01386	0.7
85.02946	0.7
89.45368	0.5
93.03452	2.2
96.95979	3.8
101.02385	0.5
108.02204	0.6
109.02948	2.6
116.92813	0.5
119.05000	0.5
121.02943	2.1
125.02402	1.0
133.02934	12.1
135.04520	2.5
137.02458	0.7
147.04512	1.2
149.02411	0.9
151.03983	1.1
155.66862	0.6
161.02399	2.2
163.00308	0.9
163.03992	3.9
165.01878	1.1
171.10257	0.6
175.03989	4.2
177.01906	2.0
187.29340	0.6
191.03702	1.5
191.05571	9.6
193.01363	0.9
199.04051	1.2
201.01877	1.1
209.11819	3.6
213.05551	1.1
225.05516	0.8
227.03398	0.7
237.05539	0.5
240.04300	0.6
241.05045	0.6
253.05048	0.8
269.04443	1.1
271.06235	0.8
281.04553	0.7
284.03250	11.7
285.04044	7.0
297.04025	16.4
298.04791	14.5
299.05588	24.1
309.04037	1.1
311.05637	3.1
324.02927	0.9
327.05087	100.0
328.05634	1.2
339.05212	4.6
343.63507	0.5
353.91489	0.5
357.06192	20.1
381.06033	0.9
390.25372	0.6
392.43729	0.6
393.35037	0.6
417.08258	54.0
418.08368	0.7
454.64893	0.6
502.80701	0.6
655.19916	1.2
745.23584	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	745.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	16.9
61.98815	2.9
63.40580	0.7
67.01878	0.8
68.54239	0.7
71.01376	13.1
85.02937	3.6
89.02427	10.8
93.03459	1.8
95.01392	1.3
96.96008	1.7
101.02422	4.0
109.02936	2.8
113.02428	4.4
119.03477	3.1
120.13771	0.6
121.02918	5.0
122.03720	4.2
123.04481	1.3
125.02372	0.8
133.02937	15.0
134.03734	2.8
135.04535	7.2
136.01602	5.0
136.05249	0.8
137.02422	1.5
147.04500	1.1
149.02420	12.2
150.03212	25.4
151.00278	3.3
151.03951	3.5
153.01817	0.7
161.02448	5.5
161.56645	0.7
162.03177	1.4
163.00356	3.6
163.03955	2.8
164.04648	1.4
165.01915	5.2
165.05533	26.2
166.02742	1.4
167.03474	1.0
175.03963	4.4
177.01961	3.0
177.05563	1.2
179.03450	1.0
179.05644	2.3
180.04248	4.0
181.04987	3.4
190.06377	1.0
191.03609	1.3
191.05576	10.4
192.05801	0.9
193.01295	0.8
195.06622	12.0
201.01840	2.8
209.11743	0.9
225.05406	1.7
225.07491	0.9
227.03473	0.9
241.04915	1.3
253.04948	2.8
255.02946	1.5
264.45044	0.7
269.04553	3.8
281.04636	0.8
284.03287	9.1
285.04047	19.3
297.04050	35.5
298.04797	40.2
299.05591	13.2
309.04138	1.4
311.05643	8.3
313.03629	1.5
324.02716	2.7
325.03354	2.6
327.05087	68.5
330.03796	0.9
339.05063	9.0
353.06357	1.2
357.06174	63.5
369.06055	3.5
372.12073	1.0
381.06107	3.5
387.14273	5.1
399.07092	6.9
417.08273	100.0
418.08731	3.0
431.03189	0.9
535.19623	13.6
565.21136	1.0
583.21619	3.2
655.20825	1.3
685.22754	1.1
708.68146	0.7
745.23572	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	743.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	0.3
57.03439	0.3
59.01383	1.1
65.56841	0.2
71.01383	0.5
81.03444	0.3
85.02940	7.2
87.00860	2.1
92.10157	1.1
93.03426	3.9
109.02937	0.6
111.04527	1.2
127.03976	2.2
130.23688	0.2
133.02943	0.7
135.04504	4.8
137.02420	0.3
155.03564	0.3
161.02432	1.9
173.04501	4.5
179.03455	3.5
191.05591	100.0
192.05989	1.6
344.17572	0.3
353.08743	11.3
354.09195	0.3
366.01910	0.4
381.25912	0.3
399.64359	0.3
531.18176	0.4
682.66315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42969	66.8
57.44940	71.0
59.26654	67.4
69.02419	71.3
96.87934	84.0
109.83524	91.4
113.30029	91.4
153.45291	87.7
415.51028	100.0
503.36130	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92156	1.0
59.01374	1.3
59.19738	0.9
71.01364	1.6
85.02933	10.6
87.00858	2.0
91.77539	0.9
93.03439	8.0
103.92021	6.1
104.92794	2.6
107.66409	1.1
109.02962	1.6
127.03999	1.4
135.04485	10.7
142.36252	1.3
158.93787	2.3
161.02367	1.8
163.04123	1.1
166.30812	1.1
168.03430	1.3
171.98474	1.0
173.04535	6.2
179.03462	6.6
187.02013	0.9
188.96384	2.0
190.97980	7.2
191.05605	100.0
192.05916	12.4
198.35660	1.0
198.97028	1.9
201.97258	1.3
204.95944	2.6
204.99670	2.3
206.97487	6.8
223.97664	1.5
225.31197	1.3
226.96307	1.4
232.95200	1.2
234.96945	10.5
247.97739	1.4
248.98450	1.7
250.96544	16.1
275.97101	1.2
292.97531	2.5
296.01141	1.6
299.00122	2.1
307.00702	19.6
308.01395	4.2
309.02216	6.1
315.15488	1.1
323.00113	1.5
324.00851	1.9
325.01657	25.4
326.02347	8.9
338.99564	6.0
340.00339	6.6
341.01328	1.3
353.01157	6.2
353.08740	6.8
354.09048	1.8
358.01343	1.6
366.01987	11.1
367.02554	1.6
368.03513	2.1
390.02490	2.0
395.99731	1.3
407.00131	1.5
412.02393	1.4
413.03296	1.4
415.01141	5.6
424.01035	1.3
482.06689	2.1
498.06265	7.6
526.05389	2.6
570.04688	2.6
571.05353	4.7
588.05688	6.3
698.08752	2.2
700.10852	4.6
744.10040	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	743.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21991	0.6
54.19945	0.7
58.45377	0.8
58.91370	0.7
59.01384	4.4
61.35572	0.8
63.58452	0.7
64.21240	0.7
68.81531	0.7
71.01357	1.1
78.16927	0.8
85.02956	1.9
87.00853	1.1
93.03439	3.7
106.47905	0.7
107.01355	1.0
108.02175	1.4
109.02939	22.7
121.02928	3.9
123.04472	1.0
125.02425	3.6
133.02942	1.3
135.04512	1.8
139.03912	1.0
147.00873	1.1
147.04539	0.9
148.01660	4.2
149.02420	4.2
151.00438	1.2
159.00838	6.7
161.02481	6.7
167.03418	1.7
173.04628	0.8
175.00330	5.3
176.01080	3.5
177.01897	4.8
184.38506	0.8
187.00343	1.8
187.03928	1.0
188.01138	4.9
189.01930	2.0
191.03680	1.7
191.05589	20.6
192.05965	1.0
202.97995	1.6
202.99860	31.9
211.04005	3.6
213.01930	1.2
214.99779	1.2
216.00624	22.9
217.01363	1.3
219.03004	1.2
224.04744	1.5
225.05624	1.3
227.03589	6.1
235.02292	8.3
239.03465	3.3
240.06706	0.9
241.05078	0.9
244.80681	0.9
247.02483	5.8
248.03288	1.0
251.03441	5.0
253.04892	1.9
255.02945	7.3
263.01901	0.9
264.27429	0.9
267.02924	5.6
268.03854	1.5
269.04520	3.6
271.02490	1.2
279.02957	10.8
280.03738	4.4
281.00931	1.5
281.04556	3.3
282.01675	3.3
283.02469	15.3
295.02490	17.3
295.05771	1.5
296.03467	2.5
297.04077	13.6
307.02466	32.9
308.03235	3.8
309.03870	1.1
311.01947	4.3
311.05377	1.2
323.01978	32.8
324.02795	10.9
325.03458	12.9
335.01837	4.7
339.05051	1.7
347.16934	1.3
352.02209	24.6
353.03000	29.6
355.04691	1.7
357.05804	1.2
384.04907	63.9
385.05673	22.2
421.05835	1.5
589.12018	100.0
590.12262	3.3
697.76129	1.0
699.15686	22.8
700.14960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02348	1.0
59.01384	6.1
65.48796	1.1
66.68148	1.0
71.01379	2.7
73.02929	1.0
78.95909	1.9
83.05028	4.7
85.02935	1.7
85.70143	1.0
86.86820	1.0
89.02441	2.6
101.02447	4.3
119.03517	1.1
125.09699	2.2
127.11256	2.3
152.99580	2.7
163.11177	1.9
171.10240	2.3
191.05630	1.3
201.09563	2.2
201.11324	42.3
209.09901	2.6
209.11821	68.0
227.12794	6.1
235.08365	4.0
253.09225	8.9
277.21716	100.0
278.22205	1.9
311.12167	1.4
335.39679	1.1
441.03378	1.3
505.25546	2.8
604.88452	1.4
741.43542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40139	1.0
54.81454	1.2
58.00576	2.4
59.01374	50.2
60.54402	1.5
60.99315	6.8
61.98828	6.3
71.01363	23.8
71.01684	1.4
71.05010	5.4
73.02932	1.5
75.00859	3.1
85.02966	6.3
87.00906	1.7
87.39948	1.3
89.02435	14.1
95.01365	1.6
95.96999	1.3
96.96000	3.3
101.01896	1.2
101.02418	11.7
109.02976	2.5
113.02431	11.2
119.03490	8.2
123.04557	2.0
129.92484	1.5
131.03456	1.7
152.63542	1.3
161.04559	2.0
177.01944	1.9
179.05614	15.5
189.02034	1.4
191.05617	14.1
209.11829	3.2
242.02132	1.5
243.02948	1.6
256.12399	1.3
269.04337	1.3
381.28000	5.1
393.06052	6.0
395.29498	3.3
397.31165	22.4
409.31186	32.2
411.28885	2.9
425.30649	5.6
427.32156	87.9
439.32147	1.7
441.30057	5.4
453.30002	6.8
457.33252	30.3
471.31113	20.6
489.32379	18.9
501.31946	13.6
503.09775	2.6
519.33228	100.0
531.33087	2.6
561.34052	1.9
676.58832	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	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27998	0.6
57.03450	1.2
58.00597	2.7
59.01374	44.5
60.99300	6.7
61.98815	0.6
71.01369	13.2
71.01733	0.7
71.05004	11.0
71.05324	0.7
72.99332	1.1
73.02941	1.0
78.21176	0.6
79.50482	0.6
83.05055	0.9
85.02939	3.6
85.06599	3.7
85.76987	0.6
88.98793	0.9
89.02433	14.0
89.90002	0.6
95.01422	0.6
96.95996	1.5
99.04489	1.4
101.02415	6.5
101.06070	3.0
113.02448	5.6
113.06076	0.7
119.03476	6.3
131.03470	0.7
135.04489	1.1
143.03531	0.6
144.18878	0.7
161.04541	3.1
167.87111	0.7
171.10179	1.1
179.05594	11.7
184.41850	0.6
189.12794	1.5
191.05592	4.5
205.12372	0.8
207.10258	1.4
209.11852	0.8
225.11270	1.1
242.81296	0.6
309.22128	1.5
321.22183	2.5
337.25253	1.2
339.23126	1.4
355.26520	1.0
377.24701	0.8
389.23401	0.9
393.28113	4.4
397.31058	12.4
398.47235	0.7
407.29633	1.0
409.31140	31.3
411.28870	4.2
423.29062	0.9
427.32159	25.5
439.32257	2.6
441.30069	3.3
453.30042	8.6
455.31262	1.0
457.33224	41.8
458.33694	0.9
471.31195	8.2
473.32581	2.3
489.32205	23.4
501.32239	16.9
519.33270	100.0
520.33765	2.7
533.34833	0.7
548.37769	0.8
561.34192	3.3
615.30066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86304	24.6
75.74819	28.9
78.95921	49.7
86.86118	21.5
94.38888	26.1
101.58443	26.6
114.93050	31.2
130.48816	24.1
152.25786	23.5
177.23251	25.0
206.59015	29.2
228.74446	25.1
248.19630	26.2
276.14948	25.6
277.21695	100.0
567.02826	35.7
578.17169	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03836	0.8
53.24435	0.8
57.03448	1.5
57.81249	0.8
58.00597	1.6
59.01378	62.0
60.99322	1.2
61.98829	1.1
64.32459	0.8
70.71661	0.7
71.01383	17.6
71.05014	11.2
72.99306	1.2
73.02951	3.6
73.12827	0.8
83.01355	1.1
85.02966	5.2
85.06613	4.2
87.00864	1.1
89.02435	19.4
93.03485	1.0
95.01379	1.1
99.04536	1.2
101.02423	8.9
101.06068	9.1
113.02428	8.8
119.03482	11.5
128.64317	0.9
128.76413	0.9
143.03458	1.2
161.04549	1.4
179.05568	14.2
189.12755	5.9
191.05646	6.9
192.05959	1.0
235.88290	1.0
298.41641	1.0
309.22266	2.1
325.25452	1.5
353.24896	1.7
355.26038	1.2
389.23608	1.5
391.30164	1.9
393.27960	5.5
397.31076	40.5
398.24777	1.2
398.31741	1.3
407.29584	1.1
409.31097	94.8
410.31442	1.9
411.29120	7.9
423.29337	1.7
425.30600	4.1
427.32153	86.0
428.32367	1.7
435.29095	1.1
439.31744	1.7
441.30084	4.1
444.36298	0.9
453.30209	11.0
455.31863	1.4
457.33237	100.0
458.33417	2.0
471.31305	12.4
489.32248	35.3
501.32202	26.8
502.63376	1.1
519.33246	77.1
520.33636	1.9
561.34320	1.6
596.05334	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29611	1.5
59.01385	9.4
60.99332	1.4
61.98821	2.9
71.01373	2.3
83.05047	2.0
83.09396	1.6
89.02442	2.9
92.10156	3.8
113.02470	2.3
135.04515	1.7
163.11282	2.4
165.12857	2.5
191.05582	7.0
207.10170	3.5
209.11824	100.0
225.11279	2.2
227.12868	17.3
253.09290	3.5
301.21481	1.7
315.32443	1.8
445.20911	3.7
519.33234	7.0
637.31787	3.1
718.67212	2.3
741.34790	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	741.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34332	2.0
52.58871	1.7
68.78564	1.8
72.03638	1.7
74.71236	2.2
78.19669	2.1
84.71391	2.0
88.37943	1.9
95.47040	2.2
143.17537	2.0
170.63718	2.2
207.10197	2.9
209.11829	100.0
227.12889	18.9
241.28125	2.2
253.09274	3.8
268.24661	2.3
303.49255	2.6
445.20816	5.2
504.06778	2.2
741.34766	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00848	18.2
53.93916	20.4
54.42979	16.7
56.58854	19.1
58.69990	20.5
60.24865	22.2
78.95921	35.4
152.99544	44.8
168.21028	23.3
171.10228	28.8
189.58624	25.8
189.80122	21.3
207.10240	32.4
255.23213	100.0
295.97656	27.3
455.35507	30.2
456.35666	41.0
537.88678	21.5
664.13251	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	740.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.9
64.07645	1.8
71.01364	2.2
77.27626	2.2
78.95886	20.3
83.05028	8.5
98.19755	1.9
135.08044	2.1
142.39557	1.9
152.99554	3.3
163.11258	3.1
165.12756	2.8
168.04289	9.0
190.97964	1.9
207.10165	2.8
209.11818	100.0
209.13806	4.0
224.06961	4.0
227.12839	3.5
255.23302	59.6
595.60919	2.6
644.95239	2.4
690.43555	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	0.2
57.03449	0.4
59.01374	2.9
60.02784	0.2
60.99306	0.4
62.83778	0.2
65.03990	0.2
65.22187	0.2
66.66896	0.2
67.01893	1.7
67.28467	0.2
69.03441	0.5
71.01373	2.6
73.02934	1.0
73.19509	0.2
79.67557	0.2
81.03445	1.0
83.05027	0.5
85.02936	12.3
87.00855	4.9
88.50732	0.2
89.02458	0.5
93.03437	14.3
94.03850	0.3
96.96004	1.2
99.04510	1.0
108.02191	0.3
109.02952	2.2
109.96218	0.2
111.04509	2.3
113.02402	0.2
123.04544	0.5
125.02478	0.2
127.03983	2.9
133.02943	0.3
134.03801	0.4
135.04512	4.6
137.02415	5.2
140.72601	0.2
147.04468	0.3
155.03462	0.5
159.04485	0.4
161.02438	1.1
161.06117	0.4
171.03000	0.9
173.04558	3.6
179.03497	0.5
187.74159	0.2
191.05600	100.0
192.05940	1.2
203.90384	0.2
272.27008	0.3
297.07742	0.2
353.08578	0.4
377.82748	0.3
472.15103	0.8
475.18048	0.7
475.34229	1.2
487.17447	0.5
519.33112	1.4
531.16803	0.4
597.36859	0.3
619.02600	0.2
681.37225	0.3
723.22882	7.5
741.23682	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60422	0.7
53.62315	0.8
59.01368	8.3
59.06161	0.9
59.24028	0.9
61.37095	0.7
61.98821	1.7
71.01365	3.4
73.67904	0.9
80.02666	1.7
81.03414	1.0
83.05024	5.9
85.02977	0.9
89.02437	1.9
101.02438	6.4
113.02422	1.6
124.53107	0.9
161.04546	1.3
163.11247	5.3
165.12737	1.1
171.10231	0.9
175.64757	1.0
191.05681	3.7
195.13882	11.4
209.11826	100.0
223.13365	9.2
227.12965	8.2
253.09271	14.9
256.13062	1.6
275.20065	10.8
293.21237	93.5
294.21780	1.2
569.87262	1.0
657.30505	1.1
681.10883	1.1
759.31390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60280	3.0
59.01385	14.5
64.37180	2.8
70.12225	2.9
71.01381	6.4
74.01386	3.0
78.95912	5.0
89.02438	3.9
92.10872	5.5
94.21165	2.7
97.10612	2.8
98.90121	3.0
109.06590	13.7
126.87019	2.9
126.88893	3.0
163.11346	12.4
168.78723	3.0
171.10243	36.2
185.11694	3.0
199.09798	29.9
207.10249	48.3
225.11349	43.6
249.58937	3.1
253.09189	15.3
277.21710	100.0
461.20248	5.9
473.36926	3.2
536.31183	3.5
666.35803	3.4
695.39856	11.2
721.41376	20.7
739.42285	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39014	0.8
56.95649	0.9
57.03445	1.4
59.01376	9.6
71.01382	5.5
71.62427	0.8
85.02927	1.0
89.02446	4.6
97.06548	1.0
101.02422	5.8
113.02416	1.8
161.04623	1.4
165.12804	9.1
183.13885	100.0
191.05547	1.7
195.13875	11.0
209.11768	9.7
223.13351	6.3
227.12880	1.9
253.09317	6.3
256.13113	1.4
275.20117	6.1
293.21219	48.0
296.55478	1.0
314.98859	1.0
455.31528	11.7
456.31955	1.6
463.22083	1.6
485.32715	27.8
486.33002	6.0
568.62109	1.2
603.74725	1.1
711.80426	1.3
739.42804	84.0
740.43140	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76340	0.3
53.81104	0.3
57.07946	0.3
59.01377	4.4
64.41426	0.4
71.01379	2.0
80.02662	1.0
81.03439	0.5
83.05021	5.3
84.02159	1.0
84.94341	0.4
85.02949	0.9
89.02449	2.7
95.05013	0.6
101.02432	2.5
109.52274	0.5
113.02432	0.6
156.40054	0.4
161.04538	0.7
163.11292	4.5
165.12842	2.9
171.10287	0.9
179.14545	0.4
181.12390	0.8
191.05684	0.9
191.10817	0.7
195.13895	2.5
209.11823	100.0
210.12180	0.8
223.13341	1.7
227.12872	7.8
235.08202	2.2
253.09251	7.5
275.20114	4.7
293.21219	30.9
445.20770	1.0
739.31720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74966	0.6
57.03442	0.7
58.00587	1.6
58.98297	0.7
59.01381	41.1
60.99307	4.8
64.33388	0.8
71.01385	6.0
71.05018	18.2
73.02927	1.3
75.00864	0.8
76.78277	0.6
77.89016	0.7
79.50019	0.7
79.69466	0.7
85.02959	3.4
85.06602	1.4
85.20534	0.7
89.02430	2.9
89.12624	0.7
99.04472	1.7
101.02428	3.2
101.06071	7.6
113.02469	3.0
119.03473	1.5
147.27191	0.7
154.29837	0.7
189.12793	5.0
191.05641	7.6
193.06206	0.9
202.51176	0.7
215.40218	0.7
271.19257	0.9
305.22791	0.9
309.22311	8.2
311.45737	0.8
321.22260	6.2
323.23755	5.8
325.21729	1.5
335.23782	5.0
339.23151	3.8
341.24829	0.9
351.23203	0.9
351.27048	1.3
353.24936	3.6
369.24445	1.5
379.26208	0.9
383.25693	4.6
391.26376	4.4
393.27676	1.0
395.29556	29.5
403.24924	2.7
407.29538	67.6
408.30042	0.9
409.27176	6.1
411.29010	3.7
421.27310	0.8
423.29169	0.9
425.30597	64.0
426.30756	1.4
427.28238	1.1
437.30566	1.3
439.28314	5.0
451.28482	3.4
455.31653	100.0
456.31976	5.8
457.29385	4.0
469.29520	12.3
487.30655	41.2
488.31329	1.3
499.30820	5.9
517.31671	39.7
518.31592	1.2
531.33118	1.7
559.32825	5.0
713.50879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44365	0.8
54.33107	0.8
54.81549	1.1
57.03448	1.0
59.01377	14.9
60.99302	21.4
61.98839	4.2
71.01369	9.1
71.05008	1.5
73.02945	1.5
75.00866	1.9
85.02923	3.6
87.00869	2.1
88.98785	100.0
89.01949	1.0
89.02377	8.0
93.03438	4.4
96.95996	1.5
101.02427	1.7
109.02980	1.1
113.02402	1.6
119.03473	1.7
133.02946	1.1
135.04492	5.9
137.02417	1.3
140.56946	1.0
145.46518	1.0
152.07143	1.3
161.02419	1.7
171.10164	1.8
175.11273	1.2
179.05632	1.5
191.05582	17.1
209.11795	4.7
263.08130	1.3
329.12573	1.1
381.20886	2.0
383.29471	1.7
395.29514	19.0
413.30765	13.6
428.34885	1.4
443.31711	23.7
473.32800	2.2
505.31671	1.8
517.31500	8.1
529.31531	1.4
679.36829	1.6
739.35626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44365	0.8
54.33107	0.8
54.81549	1.1
57.03448	1.0
59.01377	14.9
60.99302	21.4
61.98839	4.2
71.01369	9.1
71.05008	1.5
73.02945	1.5
75.00866	1.9
85.02923	3.6
87.00869	2.1
88.98785	100.0
89.01949	1.0
89.02377	8.0
93.03438	4.4
96.95996	1.5
101.02427	1.7
109.02980	1.1
113.02402	1.6
119.03473	1.7
133.02946	1.1
135.04492	5.9
137.02417	1.3
140.56946	1.0
145.46518	1.0
152.07143	1.3
161.02419	1.7
171.10164	1.8
175.11273	1.2
179.05632	1.5
191.05582	17.1
209.11795	4.7
263.08130	1.3
329.12573	1.1
381.20886	2.0
383.29471	1.7
395.29514	19.0
413.30765	13.6
428.34885	1.4
443.31711	23.7
473.32800	2.2
505.31671	1.8
517.31500	8.1
529.31531	1.4
679.36829	1.6
739.35626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
67.83740	0.8
73.02916	1.4
83.01388	1.4
85.02956	1.9
87.00871	2.3
93.03441	8.7
96.95992	2.2
101.02461	1.3
101.97599	1.0
107.01350	1.5
109.02972	6.6
113.02488	1.2
123.04522	2.2
125.02398	1.8
130.45279	0.9
133.02917	2.1
135.04506	9.4
137.02429	3.6
151.00319	5.4
151.04012	1.3
153.01971	1.2
161.02420	5.9
161.06044	1.2
161.60603	1.0
165.01880	1.2
173.04491	1.1
177.01942	10.3
177.05376	1.1
179.03523	1.5
183.04460	1.3
187.04045	1.3
187.11281	1.1
189.01901	3.6
191.05603	48.8
192.05954	1.8
202.99844	11.1
217.01314	1.9
227.03500	44.9
229.05008	3.4
255.02980	75.0
256.03720	6.2
284.03262	100.0
285.03998	18.7
289.07019	1.6
339.04916	8.9
353.08734	3.7
534.97662	1.3
665.58270	1.3
739.20459	37.1
740.20770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.8
61.98822	39.3
65.64735	4.6
76.55925	4.3
85.00307	4.5
92.10135	28.2
93.03438	7.0
97.02944	6.3
109.06607	11.0
114.64439	4.6
117.16304	5.7
122.71319	4.6
126.77904	5.1
134.12274	5.1
135.04518	4.7
163.11237	9.8
171.10466	6.4
191.05637	25.1
207.10231	62.1
209.11874	100.0
225.11339	37.6
227.12991	10.3
278.69049	5.4
317.15750	5.1
426.01132	5.4
461.20236	7.3
635.30328	39.9
653.31647	48.3
661.68909	7.2
671.32721	72.2
739.33118	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.92985	0.2
67.01897	0.3
68.47767	0.2
69.03453	0.3
69.58514	0.2
71.01385	0.5
83.05021	0.2
85.02939	6.4
87.00863	1.8
93.03437	4.3
109.02958	0.5
111.04517	1.3
112.51546	0.3
117.21748	0.2
127.03967	2.1
133.02946	1.6
135.04494	1.6
161.02393	3.3
173.04529	2.2
179.03514	1.1
191.05598	100.0
192.05978	2.4
226.16170	0.3
286.08408	0.3
327.11948	0.3
351.07196	0.4
353.08823	6.9
369.08145	0.4
385.11453	13.3
449.14526	0.3
546.95685	0.3
739.20795	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
59.01387	0.8
67.01933	0.4
67.72420	0.4
67.74198	0.4
77.44480	0.4
77.49712	0.4
77.53078	0.4
79.75459	0.4
81.03443	0.8
83.01376	3.8
85.02957	2.1
87.22852	0.4
89.03967	2.9
92.10203	0.4
93.03462	2.6
95.01391	0.6
95.05007	0.7
97.02913	3.5
104.07595	0.5
107.04996	0.6
108.02178	0.8
109.02938	24.5
117.03442	0.9
119.04947	0.8
121.02960	3.0
122.03733	0.5
123.04509	11.1
125.02426	12.3
131.04890	0.5
133.02933	13.3
135.00821	0.4
135.04495	2.7
137.02426	23.3
139.04025	3.2
141.25256	0.5
145.02953	0.9
146.03693	0.7
149.02444	4.6
150.03183	3.4
151.03995	10.8
159.04482	3.3
161.02426	22.6
161.06053	3.6
162.03217	0.6
163.00385	0.8
163.03961	1.0
164.01099	3.2
165.01900	3.0
167.03467	1.1
173.06097	0.5
174.03139	0.6
175.04007	3.2
175.07594	1.0
176.01155	1.0
177.01910	100.0
178.02292	0.9
179.03506	5.1
183.04523	0.6
185.02472	0.5
185.06126	0.4
187.03996	2.9
188.04816	2.9
189.01938	10.0
189.05678	0.5
190.02684	0.7
191.05597	13.0
197.06021	0.6
198.03212	0.5
201.01964	1.5
201.05577	2.5
202.06345	1.7
203.03543	4.6
203.07133	8.4
205.01491	1.0
205.05038	5.4
211.03983	0.7
212.04843	0.5
215.03522	3.4
216.00626	4.4
217.01437	5.9
217.08885	0.6
221.08258	2.2
227.03491	7.7
227.07013	1.0
229.01457	5.6
229.05133	0.6
237.05617	0.6
239.03406	2.0
241.04976	0.8
243.02986	0.7
243.06752	0.6
245.04541	2.9
245.08200	9.3
247.06001	0.9
249.05522	0.8
251.07019	0.6
253.04887	0.9
255.02959	1.7
255.06708	0.9
257.04453	0.5
267.02957	0.5
269.04532	1.0
271.02423	0.5
277.05032	0.6
279.02945	1.7
280.03726	0.5
281.04565	2.3
283.06088	0.6
285.03979	0.7
287.05557	6.3
289.07178	26.9
290.07315	0.5
293.04565	0.7
295.05948	0.6
297.03995	1.8
299.05673	0.7
307.02530	2.1
308.03244	1.0
309.04156	0.5
321.04056	6.0
325.03549	2.3
329.06570	1.0
337.03577	0.5
337.07300	1.9
339.05090	17.1
345.63943	0.5
383.49161	0.5
391.08463	0.6
407.07645	1.6
413.09854	0.5
417.05878	3.4
433.09253	0.9
435.07294	6.7
437.09180	0.6
449.08749	8.5
451.10284	5.2
459.07227	5.8
477.08145	0.5
569.10974	5.2
587.11993	14.3
629.12708	0.6
739.16534	10.6
765.07501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4248
Annotation	Bisglaucumlide F
Peak:m/z	Relative Intensity
51.45267	3.9
53.78744	3.7
59.01369	4.4
69.90305	3.8
74.69475	4.0
92.10850	10.6
142.22415	5.0
171.88409	4.8
187.74239	4.7
209.11792	52.0
227.13016	5.4
235.08263	6.2
255.23264	100.0
290.09955	5.6
316.84506	6.0
737.42609	47.1
738.80450	4.7
762.47003	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	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98825	100.0
63.96858	0.6
66.42712	0.5
75.14289	0.6
87.00885	3.0
88.98808	4.6
93.03456	0.8
107.06625	0.6
135.04469	1.0
163.61494	0.6
191.05600	11.2
197.11844	0.9
198.12149	0.8
209.11714	1.6
210.12230	0.7
225.44102	0.6
253.01593	0.9
258.40182	0.7
309.00339	5.4
318.17184	0.7
369.02737	5.0
381.23584	0.8
710.97418	0.8
738.30719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
60.93246	0.2
61.98824	100.0
63.12938	0.2
65.74252	0.2
71.01367	1.5
87.00868	0.4
89.02428	1.7
89.05614	0.2
93.03401	0.3
101.02406	1.0
125.02457	0.3
142.66412	0.3
143.03564	0.2
144.26976	0.2
157.71832	0.3
191.05611	1.2
196.54196	0.3
253.09264	0.3
277.21616	1.8
278.21988	1.4
279.22330	1.1
310.45901	0.3
311.34421	0.3
397.13348	1.0
398.13763	1.0
399.13800	1.2
400.14182	0.5
417.14987	0.3
613.60211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
60.60802	2.0
61.98817	2.7
64.51256	2.0
66.36390	2.0
83.05006	2.4
89.65456	2.3
92.57246	2.2
94.86517	2.0
104.14066	2.1
111.08153	3.4
116.92805	2.9
145.77185	2.5
163.11267	2.6
171.70676	2.5
191.05600	5.2
195.13873	3.5
207.10307	3.7
209.11818	100.0
227.12910	5.6
235.08133	2.8
253.09300	8.6
291.19595	44.7
317.76410	2.5
424.25931	2.6
426.36359	2.9
466.76822	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.8
61.98829	4.1
63.70694	1.7
67.11935	1.6
71.01380	3.6
76.91402	1.8
85.02944	2.4
89.02430	2.0
93.03427	2.3
100.31133	2.0
101.02413	4.0
109.06602	3.1
111.08150	15.1
113.02416	1.8
114.77988	2.0
116.92850	2.2
141.31749	2.1
163.11241	2.3
179.10757	2.9
191.05605	12.7
195.13876	9.8
196.48444	2.0
207.10237	2.4
209.11832	68.5
227.12917	11.2
230.76926	2.1
247.20647	2.7
253.09293	7.3
267.40414	2.2
291.19662	100.0
321.05545	2.1
527.28516	11.3
527.36548	2.2
737.40723	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	737.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36676	0.4
54.62253	0.5
58.27397	0.4
59.01384	1.9
75.79063	0.5
86.65440	0.5
99.92569	7.7
110.72395	0.5
114.93430	0.7
116.92849	100.0
117.01894	0.7
117.92827	1.1
128.29527	0.5
142.95935	0.5
161.02435	2.3
192.72363	0.5
209.11784	2.7
220.34544	0.5
249.18547	2.6
422.31982	0.6
457.21106	0.6
480.20468	0.6
526.24579	0.6
619.39526	2.5
680.59589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68420	6.5
59.01390	7.9
61.98826	100.0
71.01360	7.2
77.17424	7.3
78.95912	7.3
85.02942	10.9
87.28484	7.3
93.03450	7.9
96.29385	8.0
104.46438	8.1
109.29592	6.7
116.92828	27.1
130.05951	7.4
135.04518	7.1
177.02000	9.5
191.05606	69.5
197.11800	12.1
232.58276	8.0
236.64763	9.7
415.66840	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	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47229	1.5
59.01390	14.6
64.32951	1.8
69.55784	1.9
71.01370	8.5
73.24143	1.7
83.05024	1.7
89.02405	2.1
92.10196	4.4
93.03434	2.1
94.16730	1.7
97.02939	4.7
101.02433	4.0
109.06583	38.4
111.46819	2.0
121.06545	2.4
135.08144	3.9
142.02737	2.3
161.68147	1.7
163.11266	25.3
171.10181	2.6
191.05597	12.2
195.13905	7.0
207.10249	100.0
223.13324	3.4
225.11305	43.9
253.09238	12.3
275.20163	4.3
293.17990	2.3
293.21231	59.9
296.82956	1.9
299.15106	2.5
443.19446	3.2
461.20050	11.1
641.51666	2.1
737.41266	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81809	0.4
55.01902	0.7
55.08468	0.4
57.03462	0.6
59.01381	9.6
69.03453	4.4
71.01371	5.0
71.05029	2.4
73.02964	0.9
78.77351	0.3
78.95910	0.5
82.49313	0.4
83.01387	0.6
83.05056	0.6
85.02959	1.5
87.00901	0.8
89.01948	0.4
89.02422	3.3
92.10878	0.4
97.02934	0.7
97.06576	0.7
101.02431	3.5
103.00376	1.9
113.02453	1.7
119.03470	0.6
123.08163	0.7
125.09711	2.3
137.89737	0.4
146.74446	0.4
151.11261	3.0
153.12846	1.0
161.04579	0.5
161.09721	3.0
179.10750	6.6
188.96870	0.4
197.11829	100.0
198.12160	0.8
205.08661	0.8
223.09784	1.8
237.08975	0.4
241.10852	4.2
253.09341	3.9
277.21695	32.3
278.22430	0.5
367.92920	0.4
459.18484	0.5
459.92117	0.4
477.19907	1.6
540.69672	0.5
654.12738	0.6
719.38586	0.5
737.41205	76.6
738.41614	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03455	0.8
59.01384	6.6
59.34759	0.4
61.24842	0.4
69.03441	5.9
69.03747	0.4
71.01373	5.5
71.04987	1.7
73.02944	1.8
85.02958	2.1
85.47771	0.4
87.00878	0.8
88.62652	0.4
89.02434	2.8
95.01365	0.7
97.02892	0.4
97.06583	0.7
101.02420	5.8
111.74732	0.5
113.02445	2.3
113.22646	0.4
119.03447	0.5
123.08150	2.2
125.09693	3.0
145.55042	0.4
151.11255	4.2
153.12778	0.8
161.04486	0.8
161.09694	6.5
161.14862	0.5
169.12363	0.6
178.80107	0.4
179.10754	9.3
197.11821	60.9
198.12128	0.5
223.09695	0.5
233.22887	0.5
235.08185	0.6
241.10817	2.5
253.09311	3.4
277.21710	81.5
278.22232	1.3
341.91336	0.5
359.21600	0.5
379.48550	0.5
471.34607	0.8
477.19852	0.8
523.25891	0.6
592.83429	0.5
737.41180	100.0
738.41260	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	737.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48325	0.5
57.03449	0.7
59.01385	6.5
61.98859	0.7
63.96241	0.9
66.04075	0.4
67.01902	0.6
71.01379	12.2
73.02943	2.6
78.98584	9.2
79.95727	16.7
79.96156	0.7
80.96507	100.0
81.03451	0.8
85.02942	7.9
87.00886	4.9
91.35165	0.5
93.03435	5.7
94.98067	22.0
96.95995	3.2
97.02959	2.8
99.00835	0.8
101.02428	5.5
106.98055	6.0
109.02950	1.1
111.04467	0.6
113.02433	0.9
119.05011	0.7
122.97581	5.4
125.02417	6.1
127.03981	1.1
133.02908	0.6
134.97563	7.6
135.04474	0.7
136.99129	2.9
148.99123	10.5
152.98648	9.9
158.01836	0.6
161.02443	0.6
163.04034	0.8
164.98596	19.7
165.12793	0.6
173.04549	0.8
175.11159	0.6
177.01929	0.8
189.01836	0.8
191.05592	31.5
192.05975	1.0
206.99683	5.0
209.11847	7.3
225.00725	34.2
226.00974	0.6
352.35867	0.5
411.29099	0.6
420.80670	0.6
423.29169	0.5
509.16888	6.9
515.30103	1.1
693.37396	0.8
737.30658	91.6
738.30890	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	737.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89669	0.2
59.01381	12.1
62.95135	0.2
71.01369	5.9
72.99287	0.4
73.02933	0.6
76.55594	0.3
83.01367	0.4
85.02945	2.7
87.00854	0.6
89.02430	3.9
92.10886	0.4
93.03435	2.8
95.01357	0.4
96.96007	1.4
99.53820	0.3
101.02403	2.5
101.50909	0.3
109.02905	0.4
111.04494	0.4
113.02423	1.6
119.05007	100.0
120.05300	0.9
130.06262	0.3
133.02861	0.3
135.04498	0.6
145.83179	0.3
161.02400	0.6
161.04495	0.3
161.13336	1.7
163.03993	66.8
164.04265	0.6
173.04523	0.4
177.01892	0.4
179.05621	0.4
187.11211	3.5
189.01927	0.4
191.03960	0.4
191.05617	7.0
195.30133	0.3
205.12285	1.4
215.68919	0.3
229.01460	0.3
249.11324	0.4
258.42935	0.2
285.03989	0.3
296.03110	0.3
304.04413	0.2
325.09271	1.1
339.04797	0.3
393.15634	0.6
405.28113	0.5
407.07834	0.3
423.29233	1.4
453.30258	1.1
513.21326	3.6
515.30225	3.7
545.14136	0.4
557.20282	4.1
573.21942	1.2
612.00348	0.4
737.26624	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
58.10159	0.4
59.01375	2.9
59.84730	0.4
60.99297	4.3
65.00312	1.1
67.01884	14.1
69.03443	4.2
70.56076	0.4
71.01357	5.4
71.05013	0.6
73.02936	0.7
81.03444	4.1
83.01392	0.8
83.05016	2.4
85.02937	5.2
87.00858	20.2
93.03437	100.0
94.03763	0.8
99.00858	1.0
99.04510	1.1
101.02441	1.6
105.03448	0.9
107.01382	2.3
108.02147	0.7
109.02932	2.1
111.04498	15.1
113.02426	2.1
115.04010	0.6
119.04978	2.0
121.02943	0.9
124.01575	1.0
124.30339	0.5
125.02396	0.6
127.03967	0.4
129.01920	2.3
132.02074	0.5
133.02933	11.8
134.03769	8.7
135.04506	20.7
137.02383	1.1
137.91945	0.5
143.03465	0.6
149.02423	2.4
151.00357	7.4
151.03935	2.1
155.03462	3.4
160.01642	5.3
161.02417	0.9
162.03175	3.2
163.03973	1.1
173.04523	33.7
173.06042	1.1
175.03954	2.1
176.04222	0.5
177.01849	1.0
179.03423	3.1
187.07642	0.5
191.05603	42.4
192.05862	1.8
199.03966	0.8
201.01990	0.6
215.03592	0.5
217.04961	0.8
226.79243	0.6
231.10320	4.4
255.02921	2.9
255.64250	0.5
257.08038	1.8
275.09268	7.2
283.02432	0.9
285.04028	38.7
286.04385	16.3
287.04617	8.7
351.07092	0.9
352.07892	0.8
448.07080	0.7
449.14532	83.9
450.14978	3.4
451.15598	3.5
503.13693	0.7
515.29822	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	737.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
67.01910	1.2
79.24378	0.7
81.03466	1.0
83.05070	0.8
85.02945	15.5
85.03411	1.1
87.00866	5.8
89.25402	0.7
92.10205	1.8
93.03439	11.5
99.04482	0.8
108.02207	0.8
109.02953	14.2
111.04505	4.0
119.05024	0.9
124.14853	0.7
127.03997	4.1
137.02379	0.7
142.71188	0.8
145.02959	3.2
147.04515	4.8
155.03458	1.3
157.02948	9.8
159.04498	7.4
163.03934	1.4
173.02548	1.0
173.04539	6.0
174.03233	1.7
175.03963	8.5
185.02498	2.5
187.04031	0.9
191.05606	100.0
201.01947	4.8
203.03458	1.3
219.02997	10.9
221.06075	1.4
229.01396	85.3
237.05502	1.8
239.07210	1.4
248.04739	1.0
249.05594	4.8
251.03468	1.0
253.05110	0.9
264.04190	1.5
265.05048	11.0
267.06506	7.0
269.08179	3.4
276.04218	1.9
277.04990	10.4
278.05966	1.0
292.03784	7.1
293.04541	22.6
294.05249	1.8
295.06067	26.9
311.05566	1.2
313.07205	3.8
320.25665	0.9
321.04019	39.4
321.07617	1.6
322.04361	0.9
338.04318	4.0
339.05075	30.0
357.11133	0.9
513.10388	34.5
545.12830	5.8
705.17047	12.2
737.19525	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	737.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24123	0.7
54.86501	0.5
59.01384	1.6
60.58965	0.5
60.99295	0.5
64.33490	0.5
64.36681	0.5
71.01374	0.9
78.86521	0.8
83.05026	0.8
85.02937	10.4
87.00838	4.9
93.03431	9.3
109.02949	15.2
111.04497	2.9
121.81969	0.6
127.03992	3.4
128.56874	0.6
131.84729	0.6
133.02904	0.6
135.04494	0.8
145.02928	0.8
147.04524	1.0
157.02940	12.0
159.04504	7.6
173.04510	5.1
174.03159	1.2
175.03983	3.6
185.02342	3.3
191.05592	100.0
192.05956	0.9
201.01993	0.9
203.03371	1.0
219.02933	3.2
221.06140	0.9
229.01398	92.6
230.01767	1.2
237.05545	2.8
239.07039	1.1
248.04692	1.0
249.05531	3.2
250.06163	0.7
253.05199	0.9
254.05838	0.8
264.04227	3.2
265.04990	9.4
266.05530	0.9
267.06625	11.0
269.08096	3.7
276.04184	1.3
277.05075	10.1
290.61603	0.7
292.03812	1.4
293.04504	21.7
294.05231	1.2
295.06094	18.1
311.05539	3.5
313.07236	4.3
321.04044	23.5
337.03363	2.4
338.04279	3.4
339.05093	41.0
353.08899	4.9
448.36621	0.8
485.10712	1.3
513.10345	49.3
513.18018	1.6
545.13080	2.5
705.16986	14.5
737.19379	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	737.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90657	0.2
57.03445	0.2
59.01382	0.4
59.44099	0.2
67.01897	0.3
71.01376	0.4
73.02938	0.2
73.40810	0.2
83.05024	0.2
85.02943	7.9
87.00839	1.8
92.10249	0.3
93.03444	4.6
99.04557	0.2
105.03462	0.3
105.69453	0.1
109.02954	1.5
109.03599	0.2
111.04513	1.4
127.03984	2.5
133.02953	2.5
134.03226	0.3
135.04500	1.7
137.02449	0.3
147.04472	0.2
157.02844	0.2
159.04500	0.2
161.02414	2.6
171.02911	0.4
173.02568	0.2
173.04521	1.9
177.01883	0.9
179.03426	0.3
191.05603	100.0
192.05945	1.4
201.34125	0.2
215.05615	0.4
217.01489	0.2
219.02908	0.4
221.48889	0.2
229.01387	4.2
237.05368	0.2
265.04968	0.8
267.06540	0.3
277.05209	0.3
281.04285	0.2
281.63467	0.2
292.03842	0.4
293.04730	1.2
295.05988	1.3
321.04068	2.4
335.01917	0.2
338.04193	0.3
339.04941	1.3
350.21564	0.2
351.07333	1.4
352.07541	0.3
353.08749	7.3
383.10043	0.3
385.11542	1.7
513.10297	1.3
705.16730	0.6
737.19214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81650	0.1
61.98823	100.0
69.15439	0.1
80.96503	0.7
90.70781	0.1
119.95822	0.1
127.99578	0.1
138.12936	0.1
145.14886	0.1
186.95995	0.1
191.05597	0.6
198.69363	0.1
209.11826	1.8
210.12128	1.1
211.12383	0.5
225.00595	0.2
274.47809	0.1
736.29327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14635	0.9
56.67806	0.9
62.38544	0.8
64.55432	1.1
78.95889	26.1
85.19554	1.1
92.10782	1.3
96.96954	1.9
97.59068	1.0
100.55664	0.9
101.07194	0.9
118.50359	1.0
128.56441	0.9
152.99585	18.2
171.00598	2.0
187.72726	1.1
277.21713	78.2
278.22009	4.7
279.23273	100.0
280.23608	1.6
447.67426	1.1
476.27673	1.3
634.83612	1.2
736.49243	52.1
737.49677	2.3
763.51678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53352	0.2
54.81574	0.1
59.01367	2.1
67.01894	0.4
69.06514	0.2
71.01384	1.3
81.03464	0.4
83.01350	0.2
83.05014	0.7
85.02939	10.6
87.00855	3.1
89.02441	0.3
93.03442	6.1
96.96008	0.3
99.04514	0.4
109.02953	1.4
111.04502	1.7
114.36446	0.2
116.07923	0.2
124.40452	0.2
125.02451	0.4
127.04016	3.1
133.02940	0.4
135.04492	0.3
137.02446	0.3
143.03484	0.2
150.03270	0.2
155.03494	0.3
161.02429	0.4
171.03012	1.0
173.02350	0.3
173.04556	2.0
175.03964	0.3
184.94476	0.2
191.05614	100.0
192.05984	1.1
209.06067	0.3
211.07564	0.3
225.05663	0.3
229.01491	0.9
235.04015	0.3
237.05513	1.6
247.04050	0.2
253.05064	1.3
255.06645	0.3
263.03586	1.8
264.04132	0.4
265.05063	1.8
267.02896	0.5
281.04550	1.6
283.06140	0.9
291.03076	0.8
293.04617	0.3
298.08548	0.9
299.05780	0.2
301.57437	0.2
301.61084	0.2
309.04007	3.3
313.10809	1.5
317.17926	0.2
323.05707	0.3
323.60684	0.2
324.06390	2.3
337.09357	1.1
339.05557	0.5
339.08737	13.9
357.09802	1.4
374.28821	0.2
383.07855	0.3
399.06918	0.2
421.00964	0.2
531.15125	7.1
557.12939	0.4
573.16168	1.2
575.14240	1.7
617.44257	0.3
737.19507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4091
Annotation	Myxochromide S2
Peak:m/z	Relative Intensity
65.73076	7.7
80.96490	16.2
92.10160	32.2
97.02028	9.4
127.69631	9.1
142.38193	9.2
152.99532	11.3
153.03596	8.8
207.10225	36.9
239.97577	9.5
255.23209	100.0
633.59119	8.6
699.43164	34.3
735.40204	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4092
Annotation	Myxochromide S2
Peak:m/z	Relative Intensity
54.65206	13.6
60.36900	12.9
62.17345	13.6
62.61265	14.3
78.95918	17.4
86.49089	13.8
137.72318	13.9
176.52982	15.4
209.11868	56.3
253.21771	100.0
371.40479	19.6
408.61368	16.0
630.92157	17.0
735.40625	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78790	9.5
53.07813	7.8
56.95825	8.3
59.01406	9.6
62.73611	9.9
64.33556	9.5
78.95900	58.0
79.60145	10.7
89.72687	9.0
92.10836	45.5
92.22635	10.3
101.43245	10.4
109.06557	10.0
133.81972	11.0
152.99675	11.2
209.11835	46.4
213.13295	10.6
223.55011	10.2
253.21710	100.0
255.23357	15.6
277.21777	12.0
463.27063	12.4
469.44974	12.7
735.39673	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.3
61.98823	100.0
71.01358	4.5
75.35346	1.8
81.88483	1.8
83.05019	2.4
83.13863	2.0
83.76807	2.0
83.79006	2.2
84.95124	2.1
87.00874	12.3
88.00398	2.6
88.98790	3.8
101.02454	2.4
135.04486	3.2
144.83226	2.0
151.00311	2.9
165.12784	4.1
183.13885	65.0
191.05571	16.4
197.11786	29.0
198.12079	9.5
206.96327	2.2
209.11832	62.2
210.12135	8.4
227.12881	9.1
232.03072	2.2
242.61610	1.9
253.09274	3.4
257.51886	2.3
292.04767	1.9
320.35172	2.1
336.73993	1.9
430.15250	2.4
453.06686	2.2
456.22159	2.4
529.35400	2.1
673.34418	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99533	1.0
54.43513	1.0
54.81536	1.1
59.01377	9.6
59.01634	1.0
61.98821	20.6
66.05161	1.3
69.03449	2.4
71.01373	6.8
73.02935	1.2
80.02671	1.7
83.01392	1.4
83.05034	5.5
83.86749	1.1
84.02168	1.6
85.02951	1.7
86.64354	1.2
89.02452	3.0
92.10767	2.6
93.03472	1.8
96.95980	1.4
97.02916	2.2
101.02415	4.8
107.04191	1.3
109.06508	1.5
113.02394	1.3
115.50717	1.1
116.92844	2.8
116.94720	1.1
135.04498	2.4
151.00296	1.4
163.11324	8.9
165.12846	1.5
168.90408	1.2
169.12306	5.2
171.10272	10.9
179.10732	1.7
191.05658	8.8
197.11821	53.7
201.11333	6.0
207.10284	20.1
209.11818	100.0
211.13347	1.8
225.11253	6.9
227.12874	10.7
235.08176	2.2
239.12769	13.5
253.09219	10.5
273.17065	33.8
275.70169	1.2
433.20911	4.8
445.20853	1.8
469.28967	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	735.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76269	0.2
59.01377	13.7
61.98828	2.3
71.01384	1.6
72.41827	0.2
72.99302	0.4
74.20860	0.2
85.02971	1.1
87.00885	0.3
88.98841	0.3
89.02447	0.4
95.01392	0.4
101.02438	1.3
101.69441	0.2
113.02451	1.9
116.92870	0.5
118.82369	0.2
119.03482	1.1
188.95131	0.2
191.05602	0.4
209.11819	0.4
227.12856	0.2
246.68710	0.2
255.68800	0.3
305.52719	0.2
409.30377	0.3
421.31097	0.4
441.33972	0.4
469.33249	9.3
470.33841	0.3
487.28201	0.3
487.34305	9.8
529.35352	100.0
530.35724	4.2
543.37170	0.6
571.36737	0.5
735.39984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52996	1.2
57.23023	1.0
59.01391	8.1
61.98824	32.9
71.01382	2.1
79.71194	1.2
81.03477	2.0
83.05051	5.6
85.02928	1.5
89.02489	1.5
93.03455	1.5
101.02446	2.3
116.92893	1.6
135.04526	3.0
151.33206	1.2
161.02419	1.6
163.11226	2.1
165.12863	1.3
169.12343	6.0
191.05629	12.5
197.11824	100.0
201.23927	1.2
209.11823	84.6
225.54422	1.2
227.12854	11.2
234.04810	1.2
253.09323	5.7
299.24442	1.5
421.59161	1.4
433.20728	6.0
491.67892	1.6
624.00677	1.3
735.31769	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	735.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98365	0.6
55.01879	1.3
55.36817	0.7
57.03443	3.0
58.00598	0.7
59.01374	55.9
61.98820	0.6
65.31301	0.6
69.03445	1.8
71.01366	35.1
72.14619	0.7
72.99299	1.3
73.02930	8.2
75.00865	0.7
81.03429	2.4
83.01381	4.2
85.02924	8.6
87.00883	7.2
87.49316	0.7
89.02430	33.6
95.01377	1.7
97.02913	6.2
97.06539	0.6
99.00860	1.3
101.02421	27.5
109.02976	0.8
113.02440	14.2
115.03982	0.8
116.92809	1.0
119.03474	9.6
120.35677	0.7
125.02422	11.9
131.03487	1.0
134.29945	0.7
143.03493	3.3
161.04474	6.2
179.05585	3.8
191.05585	1.8
217.07327	0.8
221.06569	1.8
235.08223	10.4
253.09282	1.5
263.07712	1.4
274.45163	0.7
277.21692	100.0
278.22095	1.4
287.07651	2.7
296.17050	0.8
305.08838	2.8
366.44226	0.9
397.13470	93.9
398.13599	1.2
415.14563	33.7
422.25256	0.8
544.35205	0.9
675.36133	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	735.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66080	0.3
56.85357	0.3
58.52508	0.3
59.01379	3.7
59.04613	0.4
65.00312	0.3
67.01896	1.3
71.01387	2.0
75.04636	0.4
77.40110	0.3
81.03468	0.8
81.54366	0.4
83.05043	0.6
85.02943	15.8
87.00877	6.1
87.67153	0.4
92.07598	0.4
93.03440	15.2
97.02949	0.4
106.65311	0.4
108.02139	0.5
109.02923	4.3
111.04493	2.6
113.02497	0.4
121.02913	0.4
122.65410	0.4
123.04514	0.4
125.02456	1.4
127.03998	4.4
129.01988	0.4
133.02953	0.6
134.03716	2.2
135.04453	0.4
137.02432	2.1
149.02437	0.8
150.05463	0.4
153.01906	0.7
155.03513	0.7
161.02423	0.5
165.01915	0.4
171.02953	0.6
173.04506	4.5
183.02870	0.5
191.05605	100.0
192.05995	1.3
203.07172	0.6
209.06216	0.6
211.03813	0.4
223.73979	0.4
225.05759	0.5
229.01440	0.7
236.04710	0.7
237.05568	2.4
238.06332	0.7
239.03520	0.4
239.73958	0.4
241.04999	0.5
253.05023	1.4
254.05917	0.6
263.03387	0.8
264.04276	0.8
265.05026	2.1
280.03757	2.2
281.04565	2.3
282.05307	8.9
289.07172	1.7
292.03671	0.6
293.04456	2.1
308.03235	2.4
309.04147	1.8
310.04913	3.4
311.05356	0.6
320.03177	0.6
325.07083	0.6
326.04300	7.7
336.02792	5.2
337.03537	2.2
351.04779	2.8
354.03796	18.4
355.04608	1.5
369.06113	22.8
370.06665	0.4
387.10663	0.5
396.12271	0.4
415.12363	0.5
506.43878	0.4
511.09018	0.6
543.11450	38.1
544.11694	1.2
641.93372	0.4
735.21417	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	734.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.50060	0.3
61.98827	100.0
80.96502	0.6
88.54280	0.3
96.96006	1.2
97.10205	0.3
98.03915	0.3
105.54029	0.3
117.80253	0.3
125.70862	0.3
128.57881	0.3
135.04466	0.6
151.00325	0.7
170.56464	0.3
191.05605	1.3
193.04825	0.3
207.10388	0.5
209.11780	2.2
210.12357	0.4
242.91826	0.4
544.33990	0.4
734.27209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02433	1.8
64.33508	1.8
67.35784	1.5
68.20213	2.1
69.65919	2.0
78.95876	14.9
87.44774	2.0
99.77988	2.1
107.05160	1.9
116.41064	1.8
150.28087	2.0
277.21683	100.0
282.61841	1.9
393.57919	2.3
438.12973	2.1
456.25961	2.7
474.26126	2.6
724.25806	2.3
734.48169	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	735.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81247	1.0
57.03453	0.8
59.01379	1.6
59.89920	0.7
60.99299	1.3
61.53617	0.9
66.48682	0.8
67.01884	6.9
68.11707	0.8
69.03441	1.1
71.01366	3.9
74.33966	0.7
81.03448	1.8
83.05013	1.5
85.02941	9.8
87.00856	11.1
93.03441	42.7
95.05013	4.0
105.03437	13.6
107.05027	3.7
107.63860	1.0
109.02933	9.7
111.04494	8.3
123.04506	5.1
127.03952	1.7
131.01323	2.1
133.02937	78.1
134.03308	1.1
135.04486	25.3
149.02455	1.1
150.03195	2.2
153.85928	0.9
155.03452	1.7
161.02419	4.0
173.04541	26.4
177.01920	20.9
179.03503	6.6
191.05605	100.0
192.06038	1.7
209.62961	0.9
215.05608	22.4
216.06053	0.9
217.01346	1.3
229.01328	1.5
231.14743	1.0
258.47281	1.0
263.03455	1.1
276.36652	0.8
307.08136	1.6
320.03339	1.4
337.03439	1.6
351.07275	53.0
353.08722	4.8
438.46872	1.1
627.74915	1.0
642.36023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19043	15.3
69.29094	14.7
75.10480	13.4
106.65648	15.5
149.40097	17.0
151.72792	16.6
183.47466	14.3
207.10243	20.5
253.21701	100.0
456.06317	17.1
697.40643	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97155	8.5
59.11938	8.8
96.12644	8.1
119.90478	9.6
142.14116	8.7
176.46765	9.9
183.13864	20.7
209.11800	40.4
249.18532	15.2
251.20137	100.0
394.17929	9.9
443.18600	11.5
695.39429	21.5
733.39600	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	733.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35128	0.1
67.60072	0.1
92.10265	0.2
277.21732	2.4
407.33139	1.4
429.99792	0.1
455.35309	100.0
456.29794	0.2
456.35733	3.9
504.74597	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	733.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69122	0.9
54.64284	1.1
64.33749	1.4
78.95938	1.1
102.81306	1.4
135.26263	1.1
217.88832	1.2
303.64938	1.3
453.33780	100.0
454.33932	2.5
482.37241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07831	0.1
59.01381	0.1
61.98824	100.0
67.52029	0.2
83.41581	0.1
92.10831	0.8
109.06568	0.2
163.11246	0.2
164.11580	0.2
207.10251	0.6
208.10500	0.2
209.11726	1.0
210.12099	0.6
420.35727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88121	0.2
58.00597	0.3
59.01377	17.2
61.98824	35.3
68.99790	0.3
71.01376	1.6
72.13492	0.2
72.99292	0.5
74.01512	0.2
76.13053	0.2
82.13544	0.2
85.02943	1.2
89.02441	1.2
91.32424	0.2
93.03441	0.3
101.02415	1.5
113.02465	1.9
114.18616	0.2
116.18811	0.3
116.92776	0.3
119.03493	0.5
119.85669	0.3
134.79826	0.2
138.59027	0.2
142.68246	0.2
185.24805	0.3
191.05554	0.6
209.11830	1.0
211.13284	0.5
269.54480	0.3
314.35529	0.3
379.30191	0.4
409.30975	0.6
430.65567	0.3
475.32916	0.3
509.32962	2.0
527.33777	100.0
528.34033	3.3
541.35376	2.0
560.88770	0.3
569.35150	0.4
651.39032	0.3
733.38678	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	733.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03087	2.0
59.01379	38.3
61.98836	2.3
63.15605	2.1
71.01374	4.7
73.02953	3.0
76.03231	2.0
86.18739	2.3
98.11587	2.3
98.89167	2.3
119.61597	2.2
126.67946	2.2
183.10674	2.5
191.05565	9.9
207.10352	3.3
211.13335	5.7
242.50920	2.3
439.32019	5.3
467.31647	59.8
499.31229	2.9
527.33777	100.0
538.79004	2.5
733.38275	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	733.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48700	11.8
81.62370	13.9
96.09793	14.0
102.46820	16.6
108.12441	14.3
119.31254	15.1
134.60571	11.9
166.54115	13.4
182.23203	14.0
253.21724	79.2
455.35355	100.0
697.41620	54.9
733.38684	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97436	0.3
52.79869	0.3
57.96469	0.3
59.01374	1.9
60.99294	0.5
65.20889	0.3
67.01874	3.3
68.26652	0.3
69.03459	0.6
71.01373	1.9
81.03440	0.5
83.05027	0.7
85.02929	4.9
87.00853	5.3
87.01254	0.3
92.10788	0.5
93.03437	19.2
94.24942	0.4
105.05448	0.4
109.02965	0.4
111.04490	4.0
119.05008	6.8
125.51656	0.3
127.03972	1.2
129.01935	0.6
133.03003	0.4
135.65094	0.3
145.02957	0.7
155.03398	0.7
163.03986	6.4
171.03047	0.4
173.04514	6.6
191.05592	100.0
192.05983	0.6
335.02194	0.4
337.09296	21.0
338.09631	0.5
353.08801	2.2
537.20300	0.4
632.48956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85072	0.3
57.03452	0.6
58.00608	0.5
59.01381	33.1
62.59675	0.3
66.65453	0.3
71.01376	17.6
72.99300	2.3
75.87136	0.4
79.50864	0.4
83.01396	1.8
85.02930	7.5
87.00869	3.4
89.02428	15.0
93.03447	5.1
95.01376	1.5
99.00904	0.4
101.02428	10.3
109.02921	0.8
111.04502	0.8
113.02437	6.8
115.00362	0.9
117.03447	2.4
119.03492	6.7
119.04990	3.7
131.03510	0.4
133.02890	0.5
135.04475	0.9
137.02451	0.8
145.02942	12.3
146.03246	5.2
147.04509	97.2
148.04837	0.5
149.06046	1.8
161.02414	2.3
161.04601	0.4
161.06058	0.7
163.04001	0.7
165.05556	12.5
165.08357	0.5
167.38860	0.4
173.04550	2.5
177.01917	0.4
179.03368	0.5
179.37045	0.5
191.05603	34.3
192.05986	2.7
193.01074	0.4
219.02841	0.5
323.05756	0.5
325.09222	1.6
326.09656	1.7
327.10840	100.0
328.11047	1.7
335.01843	0.9
345.09073	2.5
345.59384	0.8
353.09091	0.8
361.08395	0.7
530.13629	0.5
530.63831	1.4
707.17920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61024	0.2
54.61307	0.1
59.01348	0.2
61.98822	100.0
76.59876	0.2
134.69432	0.2
170.17065	0.2
184.94562	0.2
198.33562	0.2
207.10339	0.3
226.11723	0.2
624.81677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
59.03707	0.4
61.98823	100.0
71.01393	0.4
109.48763	0.4
142.43706	0.4
155.68813	0.4
170.60677	0.4
191.05580	0.8
193.36664	0.4
357.91943	0.4
444.22861	0.4
461.04785	0.4
499.30832	0.5
523.84357	0.5
538.36163	0.4
738.57513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39032	0.3
58.86702	0.4
59.01372	1.4
61.98824	100.0
67.65298	0.3
67.68311	0.3
86.24332	0.3
96.95992	0.4
104.58732	0.3
106.87789	0.4
131.32857	0.4
162.66791	0.4
191.05617	2.6
209.11829	0.8
210.12030	0.5
223.13550	0.6
481.34241	0.4
527.33752	4.4
596.89606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08216	3.4
59.01369	32.8
59.13108	3.8
61.97938	3.3
61.98832	35.1
71.01389	4.3
73.90952	3.4
75.00834	4.3
79.56534	3.5
83.04988	5.4
93.03455	5.1
96.96011	6.6
97.02939	5.7
101.02438	5.2
109.06601	31.2
111.04507	3.4
125.09680	5.0
163.11203	29.3
179.33472	3.9
191.05669	34.7
199.13383	5.9
207.10265	72.9
209.11809	100.0
225.11316	47.9
227.12943	27.2
249.11092	4.4
253.09294	4.4
311.49609	5.0
364.50854	4.3
399.21786	8.9
461.19858	8.2
635.30939	21.2
653.31317	33.0
671.32544	25.8
735.30457	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	731.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.8
65.93266	11.3
70.41028	9.9
75.23027	9.7
92.10110	25.4
92.28515	11.5
121.22247	11.1
137.26259	10.2
141.62477	10.2
149.17252	12.5
181.08682	26.7
215.42650	11.0
277.21652	100.0
363.68918	10.6
447.20969	10.8
731.37122	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49389	0.8
54.60743	0.7
57.26769	0.7
59.01372	17.3
61.98833	3.6
68.97819	0.8
71.01370	7.3
73.02921	1.5
80.02675	1.4
81.03462	4.2
83.01401	1.4
83.05007	8.1
84.02151	1.5
85.02964	3.8
87.00859	1.2
88.98830	1.3
89.02442	3.7
92.17855	1.1
93.03443	1.6
95.05002	1.2
97.02936	7.2
101.02444	4.8
109.02962	1.2
109.06583	25.8
109.07287	1.2
110.03774	1.3
113.02451	1.4
125.09707	3.4
128.69202	0.8
135.04459	1.2
135.08171	5.1
136.05296	1.3
142.02649	1.0
161.09747	1.1
163.11263	22.6
165.12813	1.0
179.10774	1.0
181.12288	4.4
191.05640	7.0
191.10703	1.0
193.40970	0.9
199.16345	1.1
207.10251	53.6
209.11821	100.0
225.11298	26.7
227.12904	10.2
235.08235	1.7
249.11336	1.0
253.09277	5.2
265.14236	1.3
285.04105	5.0
306.95609	1.1
395.24887	0.9
399.21689	5.9
417.22852	3.4
443.19461	2.0
461.20309	6.3
513.32159	4.7
514.17828	1.0
627.30646	1.0
635.30701	14.5
653.31921	11.8
671.32910	20.6
706.48907	1.0
731.29388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01378	0.8
60.43203	0.2
63.96012	0.2
67.01901	1.3
68.99823	0.2
69.03448	0.3
71.01389	0.5
81.03459	0.5
83.01360	1.8
85.02937	5.6
87.00862	1.9
89.02417	0.2
93.03436	8.3
96.95984	0.9
97.47167	0.2
107.01429	0.3
109.02928	2.3
111.04485	1.6
121.02842	0.2
122.44345	0.2
125.02421	6.7
127.04000	1.9
129.01987	0.3
133.02942	0.8
134.03645	0.2
135.04504	8.3
137.02444	1.4
144.36823	0.2
149.02451	0.4
151.00356	2.9
153.01923	14.3
155.03471	0.4
161.02414	2.6
167.03506	0.2
171.02986	0.3
173.04529	5.7
177.01868	0.8
178.99881	0.3
179.03490	0.9
191.05603	100.0
192.05917	1.6
193.06046	0.4
207.88136	0.2
315.07162	0.5
341.08731	0.5
342.68881	0.2
353.08771	2.5
359.06161	5.0
371.09814	31.5
372.10291	0.5
429.95895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40755	0.1
58.00588	0.1
59.01085	0.3
59.01371	4.6
70.66195	0.1
71.01363	2.5
85.02941	1.3
87.00887	0.2
89.02422	2.3
92.10167	0.2
93.03422	0.9
95.01381	0.2
96.57111	0.1
99.00876	0.2
101.02416	1.0
102.19008	0.1
109.02943	0.3
113.02438	1.2
117.03451	16.3
119.03485	0.7
119.05002	5.2
123.60930	0.1
125.53654	0.1
132.05783	0.2
133.06577	0.8
145.02943	100.0
146.03316	0.8
147.04553	0.1
149.06155	0.2
154.31528	0.2
159.04506	0.6
161.02390	0.2
161.06071	1.0
163.04001	8.1
167.98520	0.2
173.04533	0.3
173.06082	0.1
175.04002	0.1
177.05515	0.2
187.03992	2.8
191.05600	4.0
191.07190	0.2
205.05046	1.0
235.06084	0.2
265.07108	1.4
325.09293	25.3
326.09650	0.5
345.09055	0.2
353.08740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92065	43.6
72.58799	57.7
77.09606	54.3
98.21793	52.4
108.93366	52.9
150.44034	59.2
158.49315	47.5
197.11725	100.0
210.47841	53.0
345.69543	63.6
696.53345	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55537	0.3
61.98822	100.0
69.33855	0.3
82.89668	0.4
92.10812	0.8
94.00005	0.3
116.92807	0.4
118.14114	0.3
123.47746	0.4
136.03548	0.4
177.01857	0.4
191.05487	0.6
391.20291	0.4
602.86658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
71.01376	1.2
80.42203	0.7
85.02937	12.5
87.00874	4.2
93.03424	7.3
109.02922	1.0
111.04480	2.9
120.00546	0.7
127.03993	3.2
167.30835	0.7
173.04437	3.6
191.05598	87.1
233.02380	17.4
234.03146	7.5
235.04021	3.7
250.02673	3.1
251.03421	1.3
260.99365	1.2
261.01904	18.2
262.02783	5.5
263.03461	29.6
264.04224	1.2
265.05038	10.5
266.02118	1.2
267.02933	1.6
277.01337	4.0
278.02069	1.2
279.02960	1.2
281.04480	3.0
289.01428	5.6
290.02112	4.1
293.04019	0.8
304.53189	0.8
305.00909	77.2
306.01672	35.6
307.02383	2.9
309.03943	7.9
333.00391	100.0
334.01184	83.2
334.04285	1.5
334.05341	1.6
334.97916	1.6
335.01971	49.5
350.00735	0.9
365.02945	13.1
369.09708	0.8
496.04932	0.9
699.12054	46.8
700.11151	1.0
731.14618	34.6
731.27631	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91314	0.3
57.03438	2.1
59.01373	1.5
61.62061	0.2
64.33469	0.3
65.00317	0.6
67.01884	1.5
68.99809	1.4
71.01379	1.1
75.00829	0.3
81.03439	0.6
83.01373	10.8
83.01845	0.5
84.32652	0.2
84.94285	0.3
85.02934	5.3
87.00866	1.8
93.03447	6.1
96.95998	0.7
99.04529	0.3
107.01393	2.2
109.02946	6.8
111.00878	1.4
111.04492	0.6
121.02930	1.0
124.01630	0.3
125.02427	32.0
127.03997	1.5
133.02943	1.4
134.39911	0.3
135.04500	5.6
137.02432	1.7
139.03967	0.3
145.67853	0.3
149.02417	2.7
151.00360	10.7
153.01920	65.1
154.02327	0.4
161.02428	3.2
167.03436	0.4
169.01489	0.4
171.49825	0.3
173.04550	4.1
177.01888	0.6
178.99873	2.0
179.03470	0.3
191.05600	100.0
192.05946	1.3
195.03038	1.3
219.80861	0.3
287.08005	0.3
302.10083	0.3
312.70251	0.3
315.07220	3.2
353.08820	4.6
359.06189	25.8
360.06580	0.4
371.09811	35.1
474.40384	0.3
532.20581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87395	9.7
54.81731	12.1
55.35646	10.4
55.87239	10.8
57.46217	10.0
58.81525	10.0
60.04687	8.5
60.35198	9.3
69.99234	11.5
78.95936	16.3
81.09858	10.7
92.10895	33.2
111.88008	13.6
118.42506	17.1
135.08136	14.8
179.07130	100.0
277.21643	81.9
324.80396	13.2
474.11371	13.6
693.38885	50.2
711.66046	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	729.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06687	0.5
56.96037	0.5
57.03456	1.1
59.01386	10.8
61.98833	5.6
69.03471	3.3
69.15826	0.6
71.01396	4.2
73.02934	0.6
80.02665	0.8
81.03471	0.9
83.05027	4.0
85.02942	1.1
87.00878	1.2
89.02456	3.1
93.03439	0.8
95.05019	0.9
97.06563	1.1
101.02432	5.4
113.02444	2.7
116.92818	0.8
121.04664	0.6
132.93053	0.7
135.08138	0.7
161.04523	1.3
163.11256	4.6
165.12846	3.0
167.10822	5.0
179.10812	1.4
179.14389	5.2
189.07751	0.6
191.05614	7.0
191.10616	0.8
192.58112	0.6
195.13876	11.2
205.12314	16.0
205.14087	1.0
207.10309	1.3
209.11823	75.6
210.12022	0.8
223.13382	100.0
227.12877	9.1
235.08171	3.5
253.09241	6.6
261.14999	1.0
340.23755	0.8
432.77856	0.7
433.25674	0.8
441.20822	0.8
445.20618	1.2
459.22366	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	729.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45011	0.3
56.08631	0.3
59.01375	5.2
61.98813	0.5
66.40716	0.3
68.91242	0.4
69.03460	0.8
71.01378	2.4
71.05025	0.4
73.02948	0.5
80.02666	1.6
81.03451	0.9
83.05010	5.2
84.02167	1.3
85.02950	0.8
87.00860	0.6
87.44595	0.3
89.02444	2.3
93.03461	1.3
95.05023	1.4
97.02888	0.3
101.02428	3.3
109.06615	0.6
113.02456	2.1
121.60467	0.3
125.06161	0.4
133.68980	0.3
135.08072	0.5
161.04509	0.5
163.11258	5.7
165.12854	3.4
167.10742	1.4
179.05652	0.4
179.14392	2.0
181.12343	0.6
191.05620	3.9
191.10757	0.9
195.13892	3.1
201.11040	0.4
205.12320	3.9
207.10211	0.7
209.11826	100.0
210.12184	1.4
223.13385	36.6
225.11087	0.4
227.12885	10.1
235.08177	2.0
253.09224	5.5
323.48569	0.4
406.46722	0.4
406.52438	0.4
441.21463	0.8
445.20822	3.1
459.22269	2.4
629.90509	0.4
633.33582	0.7
651.33667	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	728.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
61.98823	100.0
64.02930	0.6
93.03458	0.8
93.35397	0.6
108.03713	0.6
119.04998	0.9
145.02957	5.3
191.05614	2.8
211.80789	0.7
256.64594	0.6
517.12982	0.7
638.89197	0.7
650.37073	0.9
665.36908	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	728.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
61.98823	100.0
71.01344	0.4
73.14881	0.3
85.02936	0.4
93.03452	0.5
163.11386	0.3
163.30797	0.3
167.34727	0.3
191.05618	3.6
207.10217	0.5
209.11781	1.3
459.34784	0.8
485.32983	0.4
503.33722	3.4
665.39154	6.2
666.39362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72554	1.9
59.01375	31.9
59.06030	2.1
61.98835	3.3
64.33304	2.4
70.23910	2.3
71.01380	9.7
76.29295	2.5
81.03438	3.8
82.95419	2.3
83.05029	3.7
85.02937	4.4
87.45918	1.9
89.02424	3.4
92.64111	2.0
93.03424	5.1
93.09344	2.1
97.02926	10.1
101.02407	11.8
104.77856	2.2
109.06577	43.4
110.03639	2.4
113.02472	4.0
115.60856	2.1
121.02901	2.6
122.48262	2.4
125.09734	4.0
134.73056	2.4
135.04553	4.1
135.08107	5.4
161.09715	3.5
163.11324	22.6
181.12300	9.5
191.05602	18.9
207.10271	100.0
209.11804	12.1
219.10258	3.2
223.09663	2.9
225.11310	39.5
371.18207	2.9
397.20203	3.3
401.20163	2.3
415.21112	13.7
430.49585	3.5
461.20105	12.0
468.96707	2.8
607.27771	10.3
625.28735	23.5
633.28967	11.4
651.30536	41.3
669.31262	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	727.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59850	1.0
56.81833	1.0
59.01375	74.9
59.51394	1.0
60.67833	0.9
64.40258	1.2
83.57491	1.1
132.35114	1.1
154.25061	1.1
166.66838	1.3
168.37175	1.2
171.10249	40.3
184.14267	1.3
271.22791	100.0
277.21722	27.1
278.22226	1.6
298.75897	1.2
332.04834	1.4
351.89185	1.4
407.19836	1.4
455.35318	88.6
456.35785	1.9
548.11096	1.4
559.71533	1.2
632.45386	1.5
727.43372	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	728.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37888	0.4
54.04421	0.4
59.01394	0.5
61.98823	100.0
87.14527	0.5
105.18533	0.5
137.35120	0.5
141.51633	0.5
145.02936	3.0
150.63701	0.5
181.37791	0.6
191.05627	2.0
199.59175	0.5
205.12473	0.6
217.86491	0.6
223.96574	0.5
280.08142	0.5
293.40204	0.6
372.14978	0.6
588.37500	1.2
692.39551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54279	0.9
59.01380	23.1
62.52653	1.1
62.98271	0.9
63.36342	1.0
71.01385	1.6
78.95885	1.9
80.69795	1.2
109.19327	1.1
111.38463	1.3
132.54437	1.1
152.99640	1.7
171.10252	78.6
210.94823	1.3
235.08293	1.6
253.09305	6.8
255.23239	1.4
277.21695	100.0
278.22049	1.8
678.25922	1.3
733.21906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95967	1.0
54.81676	1.2
57.03475	1.4
58.00598	1.6
59.01384	58.0
60.03846	0.8
60.99320	2.4
61.98827	11.3
61.99098	0.9
71.01370	16.3
71.01675	1.0
71.05023	6.9
72.99316	1.3
73.02932	1.2
83.05051	2.7
85.02936	8.7
85.06570	1.3
87.00892	1.1
89.02413	12.9
93.03429	1.8
96.96056	1.1
101.02426	8.3
102.36405	1.0
110.70599	1.1
113.02453	7.4
119.03499	7.0
135.04503	1.5
161.02399	1.3
171.24965	1.1
172.30789	1.1
177.01903	1.3
179.00034	1.1
179.05594	7.3
187.94783	1.4
191.05603	20.1
194.44257	1.1
196.05652	1.0
196.45905	1.2
201.11324	5.6
205.15958	11.6
209.11790	17.8
227.12915	2.1
240.74896	1.4
325.25650	1.8
373.55432	1.1
408.68790	1.1
411.32623	2.1
425.34262	35.4
425.39520	2.1
441.33798	7.5
443.35275	100.0
444.35724	1.9
460.80313	1.2
461.36273	5.1
475.34250	7.1
487.34256	61.4
488.34415	4.7
504.34238	2.3
505.35287	86.7
506.35651	2.5
507.64166	1.2
531.33093	4.6
547.37103	1.6
727.33478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11832	0.6
51.73879	0.7
57.03461	0.9
58.00588	8.7
59.01376	57.0
60.99301	9.7
61.98822	15.3
64.33366	0.8
71.01373	10.6
71.05016	5.4
73.02945	1.7
82.95416	1.5
83.04996	1.0
85.02955	4.6
85.06580	1.2
88.98792	1.1
89.02419	13.4
93.03449	1.4
93.60928	0.8
96.96011	1.2
101.02416	7.4
109.02969	0.8
109.06532	0.9
113.02441	6.5
119.03469	8.2
125.02409	1.0
126.70050	0.8
129.20152	0.8
130.93172	0.8
135.04526	1.7
161.04564	1.5
173.04584	0.9
177.33553	0.8
179.05618	8.2
191.05586	10.1
207.10283	0.9
209.11810	6.4
227.12920	2.8
339.04868	0.9
389.04999	0.9
395.29697	3.1
411.32645	7.1
423.32532	1.8
425.34674	3.0
427.32007	1.5
441.33768	35.1
443.35321	40.0
457.33185	4.0
459.34634	1.8
475.34262	12.1
485.32501	1.4
487.34473	14.7
503.33505	1.3
504.33994	3.6
505.35370	100.0
506.35580	1.8
519.33112	1.0
531.33374	1.9
535.08203	1.3
547.36359	4.0
655.33057	1.1
667.39758	1.2
727.15985	1.1
727.31061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81693	0.1
59.01379	1.0
60.99298	0.2
67.01900	0.2
71.01380	0.5
73.02969	0.1
75.12571	0.1
81.03482	0.1
83.05004	0.2
85.02949	5.3
87.00873	1.4
93.03447	4.0
99.04514	0.2
109.02950	0.6
111.04535	1.3
115.03999	0.1
119.05000	0.7
124.26748	0.1
125.49917	0.1
127.03989	1.8
128.17267	0.1
128.43738	0.1
133.02959	0.2
135.04504	1.8
142.71600	0.1
145.02946	0.6
161.02402	1.3
163.04036	0.8
171.02954	0.2
173.04524	2.2
191.05608	100.0
192.05949	1.9
193.06021	0.4
199.74437	0.1
216.98741	0.1
234.74541	0.1
297.69754	0.1
337.09286	14.6
338.09714	0.6
353.08804	2.6
354.09369	0.1
375.42157	0.1
389.06458	4.5
602.59100	0.1
657.03052	0.2
729.99414	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	727.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
59.01389	33.8
60.98395	1.8
61.98831	2.9
69.03436	3.1
69.55874	1.6
71.01377	9.7
77.22028	1.9
79.46017	1.9
81.03454	2.5
83.99792	2.1
85.02945	2.9
87.00931	2.5
88.06660	1.8
89.02452	5.0
97.02975	7.4
101.02428	10.2
107.93192	1.9
109.06586	33.1
113.02464	4.8
116.92802	3.2
117.49967	2.1
121.03020	2.2
134.92537	2.3
135.08083	2.3
163.11293	23.9
163.12495	3.1
167.10805	3.7
175.36528	2.3
179.10805	3.4
181.12238	4.0
191.05592	2.6
195.13908	15.5
205.12352	18.3
207.10245	91.9
223.13379	100.0
225.11325	40.5
253.09183	4.3
395.22125	8.7
413.23471	15.5
431.24368	2.9
456.20895	2.6
459.22260	8.9
461.20233	5.0
623.73083	2.5
649.32452	43.3
659.30731	3.5
667.33228	49.7
694.21564	2.6
717.74603	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38209	0.2
57.03431	0.3
59.01382	1.4
60.83243	0.2
60.99323	1.0
67.01884	2.4
69.03451	0.3
71.01385	1.4
73.02955	0.2
76.63925	0.2
81.03460	0.8
83.05048	0.3
85.02938	6.3
87.00864	3.5
93.03441	16.2
96.96022	1.1
99.00866	0.3
99.04522	0.3
108.05460	0.2
109.02954	0.9
111.04517	3.2
113.02470	0.3
115.04016	0.2
121.02928	2.6
123.04485	0.5
127.04016	1.7
129.01956	0.2
133.02901	0.3
134.03682	0.2
135.04507	14.1
137.02437	1.1
153.05588	1.1
155.03513	1.2
161.02409	1.1
165.35204	0.2
171.03049	0.2
173.04529	12.6
179.03477	1.0
191.05606	100.0
192.05940	1.6
193.06039	0.4
241.00400	0.2
316.98663	0.2
341.08710	2.6
353.08899	2.3
355.10419	2.2
371.09821	41.4
372.10263	0.4
374.81012	0.2
390.71808	0.2
446.08994	0.2
522.04779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66437	0.6
52.06854	0.6
54.81657	0.7
57.03456	2.6
59.01390	4.4
60.99318	3.1
67.01885	8.5
69.03466	4.2
69.65398	0.7
71.01385	5.7
72.99305	22.4
79.12460	0.7
81.03444	1.6
83.01381	0.9
83.05034	1.5
85.02936	8.7
87.00871	21.6
93.03448	77.0
95.01398	1.0
96.96014	3.6
97.02943	1.5
99.00861	1.1
99.04472	0.8
109.02957	2.6
111.04510	13.3
113.02425	1.1
114.94331	0.8
115.03981	0.7
121.02943	1.4
123.04491	9.8
123.50856	0.7
127.03969	1.4
129.01950	1.3
135.04501	16.2
137.02480	1.5
139.00337	0.9
148.20000	0.7
152.01161	1.3
155.03497	5.0
173.04533	63.1
175.02466	0.8
179.03461	17.1
181.58090	0.7
191.05600	35.3
192.05940	1.5
195.02991	0.7
197.04555	23.7
199.02516	1.4
201.06534	0.8
222.03693	0.7
255.88486	0.8
283.63834	0.7
321.03745	0.7
339.05112	0.8
339.58463	0.8
355.10315	1.7
371.09814	100.0
372.10037	1.6
447.11975	0.8
451.48224	0.8
522.46838	0.8
535.08405	1.4
548.81549	0.7
623.14124	0.8
631.91742	0.7
704.98987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
60.99300	0.2
67.01894	0.9
68.28208	0.1
69.03481	0.3
71.01379	0.8
80.78378	0.1
81.03421	0.2
85.02938	5.8
85.03414	0.3
87.00851	1.7
92.10835	0.2
93.03437	6.6
109.02913	0.2
111.04500	1.6
127.03994	1.8
129.01898	0.2
133.02928	0.6
135.04503	5.6
145.02998	0.2
155.03494	0.2
161.02399	2.5
163.03963	0.2
171.02951	0.3
173.04529	4.0
179.03468	1.3
191.05602	100.0
192.05946	1.9
193.06165	0.2
314.55276	0.2
337.09274	3.9
351.07272	0.2
353.05307	0.2
353.08771	10.7
389.06458	17.9
390.06784	0.3
607.10272	0.2
622.56091	0.2
742.66962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
55.13026	0.8
57.03448	7.1
59.01378	32.0
67.01887	4.8
69.03455	10.3
71.01382	20.8
72.99290	2.1
73.02943	13.6
81.03457	6.7
83.01384	5.0
83.05033	2.4
85.02942	69.5
87.00862	100.0
93.03438	8.6
95.01362	23.1
96.96004	5.1
97.02931	34.8
99.00816	2.3
99.04504	5.3
101.02449	1.6
103.03965	7.3
109.02940	9.7
111.00877	8.3
111.04504	1.4
113.02424	19.0
115.00372	9.4
115.04011	1.6
123.04429	1.4
125.02470	1.9
127.03995	15.3
129.01923	1.7
135.04500	4.3
137.02449	2.0
139.00359	12.4
145.05052	3.9
153.01895	1.3
157.01396	8.3
161.02362	1.3
169.05031	1.8
169.76961	1.0
171.02965	1.2
173.04510	3.8
175.02455	26.3
175.03951	1.5
179.03502	1.3
181.01382	1.3
191.03816	1.3
191.05586	39.6
199.02480	20.2
201.01628	1.9
217.03525	13.6
242.86331	0.9
246.60715	1.0
260.30063	1.1
296.96210	1.0
303.07291	10.1
321.03888	1.3
321.08261	4.0
345.08243	6.4
353.08588	1.5
361.23407	1.1
375.07043	1.7
378.95883	1.1
387.09491	9.6
405.10068	4.3
535.08490	2.0
623.14526	6.4
648.79980	1.1
685.18414	1.4
709.18256	9.7
727.19507	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	726.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82700	0.3
58.27574	0.3
59.01375	15.4
59.28201	0.3
60.01719	0.3
61.98824	100.0
71.01373	3.4
71.05012	1.7
73.02955	1.4
76.35618	0.4
76.99059	0.3
85.02936	0.8
85.06585	0.5
88.98765	0.3
89.02436	3.6
93.03420	0.4
95.01368	0.5
101.02439	2.5
107.00822	0.3
113.02431	1.7
119.03460	2.0
133.70717	0.3
135.04453	0.5
138.31465	0.3
179.03445	0.3
179.05573	1.4
191.05611	4.0
192.05849	0.4
205.74411	0.3
209.11810	0.4
217.82898	0.3
270.27692	0.4
283.87433	0.4
290.33896	0.4
380.30170	0.5
410.31592	1.3
411.31714	0.5
412.32770	0.7
422.31812	0.5
426.31113	0.4
427.32571	0.4
428.32956	0.6
439.32043	0.8
440.32489	1.3
444.31372	0.4
455.31534	0.4
456.31155	0.6
457.33173	3.4
458.33588	6.2
459.34784	7.2
460.35208	11.9
473.32620	0.6
474.32687	1.8
485.32504	1.5
486.33093	2.8
491.33810	5.6
492.34021	11.6
501.32101	1.4
502.32547	3.7
503.33029	5.3
504.33499	7.2
546.35217	1.3
666.37720	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	726.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12192	0.2
59.01376	4.0
61.01814	0.2
61.66231	0.2
61.98822	100.0
62.58990	0.2
64.33395	0.3
71.01382	0.4
74.94592	0.2
82.89966	0.2
85.02935	0.4
90.61775	0.3
93.03444	0.3
96.96008	0.2
114.28207	0.2
191.05606	1.7
207.48445	0.3
274.31711	0.2
327.21866	0.3
428.32376	0.3
429.33368	0.2
483.31009	0.4
484.31354	0.4
485.32132	0.5
486.32397	0.4
501.32196	1.2
502.32465	4.6
503.32947	6.4
504.33264	7.4
749.54333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99464	0.7
51.65194	0.8
53.33170	0.6
54.33630	0.7
58.00601	9.9
59.01376	50.0
60.57496	0.6
60.99300	8.9
61.98832	6.5
65.44380	0.6
71.01373	6.0
71.05012	19.0
72.99329	0.8
73.02932	0.7
74.48538	0.7
75.00864	1.5
76.55686	0.7
80.91650	0.8
85.02939	3.8
86.00105	0.6
88.98800	1.0
89.02434	4.5
93.03471	1.1
100.26473	0.8
101.02463	2.6
109.02959	0.8
109.06563	1.0
113.02422	4.4
119.03516	1.5
135.04550	0.8
191.05611	9.5
201.11333	1.6
207.10199	3.7
209.11774	5.1
225.11201	1.2
227.12903	1.2
321.22296	1.6
323.23734	1.7
337.25424	1.2
339.23227	1.1
351.27042	1.2
355.26392	8.2
367.26294	3.8
369.27881	4.1
389.26974	1.1
393.27640	1.5
401.27173	0.9
409.31039	4.6
411.32718	3.5
413.26938	1.1
419.29456	0.9
421.31039	3.0
423.32919	1.3
437.30722	1.0
439.32172	28.7
440.33075	0.9
441.33762	27.0
443.31638	6.0
455.31937	7.2
457.33221	7.8
459.34637	3.0
473.32620	18.1
485.32651	16.2
491.33838	2.9
503.33810	100.0
504.34204	1.9
517.34833	4.0
545.35028	8.8
599.89655	1.0
627.30389	1.2
653.32068	1.3
671.32843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11044	1.2
51.93527	1.3
59.01374	38.3
60.10860	1.4
61.98828	28.7
63.94492	1.6
67.24803	1.5
71.01374	10.5
75.00855	1.7
82.95434	1.8
83.04998	3.1
85.02956	3.3
89.02429	8.4
93.03438	1.8
96.96004	2.2
101.02443	6.2
109.06596	7.4
113.02456	3.6
116.92863	2.7
119.03498	2.8
147.25328	1.8
161.04588	1.9
163.11258	6.8
179.05595	3.6
181.12306	2.1
191.05649	11.4
207.10229	19.1
209.11784	33.0
225.11382	17.7
227.12848	6.8
253.09241	5.7
256.52197	1.8
411.32394	3.5
429.33722	6.6
437.30771	3.4
455.32083	2.4
459.34659	3.8
461.20337	3.6
485.32513	9.1
503.33783	100.0
504.34079	2.2
635.30487	8.3
653.31567	7.4
658.29089	2.1
665.38922	10.0
671.33093	14.4
693.07709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11044	1.2
51.93527	1.3
59.01374	38.3
60.10860	1.4
61.98828	28.7
63.94492	1.6
67.24803	1.5
71.01374	10.5
75.00855	1.7
82.95434	1.8
83.04998	3.1
85.02956	3.3
89.02429	8.4
93.03438	1.8
96.96004	2.2
101.02443	6.2
109.06596	7.4
113.02456	3.6
116.92863	2.7
119.03498	2.8
147.25328	1.8
161.04588	1.9
163.11258	6.8
179.05595	3.6
181.12306	2.1
191.05649	11.4
207.10229	19.1
209.11784	33.0
225.11382	17.7
227.12848	6.8
253.09241	5.7
256.52197	1.8
411.32394	3.5
429.33722	6.6
437.30771	3.4
455.32083	2.4
459.34659	3.8
461.20337	3.6
485.32513	9.1
503.33783	100.0
504.34079	2.2
635.30487	8.3
653.31567	7.4
658.29089	2.1
665.38922	10.0
671.33093	14.4
693.07709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03448	1.2
57.57057	0.5
58.00594	2.3
59.01374	39.5
59.01674	1.3
60.99317	1.3
61.98816	2.6
66.13892	0.5
69.07655	0.5
69.12238	0.5
70.63113	0.5
71.01357	5.5
71.05010	18.3
71.57145	0.5
73.02911	0.7
83.01444	0.7
83.05029	1.1
85.02959	3.6
89.02436	2.9
93.03455	0.8
96.96002	1.2
100.88055	0.6
101.02412	4.0
113.02401	2.7
119.03487	2.7
120.99611	2.7
125.91467	0.6
135.04457	1.1
137.02390	0.8
137.09755	0.7
138.52219	0.5
157.10080	0.6
161.04547	0.8
175.11385	0.7
191.05620	6.5
191.31752	0.6
205.15938	10.7
209.11890	2.4
321.22220	1.1
323.23804	1.1
335.23895	0.7
337.25327	4.0
339.26947	1.1
351.26846	2.6
355.26334	1.3
369.27921	3.9
379.30243	2.1
401.26776	0.9
407.29623	2.2
409.31116	3.0
419.29834	0.8
421.31265	1.2
423.32742	23.7
437.30652	2.4
439.32291	6.9
441.33725	100.0
442.34134	2.6
443.31439	3.2
455.31674	6.3
459.34958	6.1
473.32626	9.5
485.32703	55.6
486.33035	2.2
503.33774	47.0
504.34381	1.1
517.30994	4.9
545.34711	2.6
606.30072	0.7
665.37976	4.1
689.31567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92804	0.3
58.00602	0.4
59.01383	35.6
68.12031	0.3
71.01369	1.9
71.05009	0.5
73.02953	0.7
80.45890	0.3
85.02955	0.6
89.02435	0.6
93.03487	0.4
101.02412	0.7
106.42834	0.4
113.02442	0.8
119.03452	0.7
132.52554	0.4
135.04504	0.4
149.43451	0.4
163.95280	0.4
174.29181	0.3
191.05547	2.0
257.38385	0.4
294.19598	0.5
302.55270	0.4
329.75281	0.4
377.28870	0.5
384.72513	0.4
393.31555	0.8
401.28311	0.6
407.29581	0.8
409.31073	2.3
419.29453	0.6
421.31241	4.0
425.30853	0.8
441.33798	6.4
453.30240	0.5
457.33197	3.8
473.32715	3.2
485.32751	4.9
503.33792	100.0
504.33939	4.0
514.44080	0.4
545.34833	2.4
665.38831	2.4
725.41095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63986	0.6
57.03455	0.9
57.39059	0.7
59.01379	14.0
66.66373	0.8
69.03455	3.9
70.13870	0.8
71.01373	3.2
89.02422	1.2
92.64331	0.9
95.05032	1.1
101.02426	3.5
128.02809	0.8
156.38211	0.8
167.10757	3.7
179.10750	1.4
179.14352	3.7
191.05573	4.5
195.13882	13.0
197.11765	1.9
199.13834	0.8
205.12312	10.2
223.13377	100.0
235.08163	1.6
253.09241	5.1
295.31799	1.0
320.62436	1.1
345.96747	0.9
441.21442	1.2
459.22491	11.6
526.39758	0.8
647.34167	3.9
665.35217	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	725.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94845	0.3
57.03433	0.4
57.21342	0.2
57.47591	0.3
58.00591	0.4
59.01374	35.6
61.98825	0.4
62.27072	0.3
63.19977	0.3
71.01381	1.4
71.04995	1.2
75.00942	0.3
80.55545	0.3
85.02937	1.3
89.02427	1.4
89.43696	0.4
93.03439	0.5
96.95984	0.7
101.02457	1.1
113.02434	0.6
117.75945	0.4
119.03461	0.4
134.03656	0.4
135.04501	3.9
135.44460	0.3
136.01654	1.3
151.03992	0.5
161.02400	0.5
161.04437	0.4
175.00294	0.3
179.03423	1.3
182.63800	0.3
190.02664	1.3
191.05559	4.5
205.05000	1.3
209.11748	0.4
247.66335	0.3
367.10532	0.5
395.29529	0.6
407.29507	1.4
419.29474	0.5
421.31070	6.5
425.30801	2.4
437.30594	0.4
439.32443	0.7
441.33774	1.9
443.31522	0.6
455.31458	2.3
459.34872	0.5
485.32739	9.5
486.33661	0.4
487.30734	1.2
503.33795	100.0
504.34235	3.1
517.31598	0.6
545.34906	0.5
589.33948	0.4
665.39368	2.2
725.24420	0.4
725.41486	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	725.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28199	0.3
53.40087	0.3
55.01879	0.8
57.03442	1.7
58.00593	0.8
59.01376	100.0
62.20923	0.3
62.38536	0.4
67.01895	0.4
69.03432	0.8
71.01373	26.4
72.99292	0.6
73.02934	16.2
75.00858	0.5
81.03446	0.6
81.07092	0.8
83.01364	4.5
85.02943	10.3
87.00872	2.3
87.04509	2.5
89.02428	18.1
93.03421	4.2
95.01361	2.4
97.02957	0.7
99.00876	1.7
101.02429	20.3
103.15614	0.4
109.02954	3.5
111.04522	0.4
113.02440	14.1
114.82359	0.4
115.00349	1.6
119.03486	5.9
123.04488	1.9
125.02436	2.2
133.02875	0.6
135.04500	2.5
137.02405	0.8
139.04010	0.4
143.03511	0.5
149.04561	0.7
149.06049	0.6
152.63217	0.4
153.89687	0.4
155.03517	0.4
159.04445	0.5
161.02409	2.4
161.04546	4.3
161.05835	0.7
164.01152	0.6
173.04543	1.7
175.02370	0.7
175.03935	0.7
177.01884	0.8
179.03423	0.8
179.05670	0.5
183.00893	0.4
185.11823	0.8
187.13380	12.3
191.05617	19.3
192.05920	1.7
193.06169	0.6
200.04440	0.4
203.07150	0.7
205.05115	0.7
219.02979	0.5
245.08147	0.9
259.06522	0.4
277.03665	0.6
289.07153	4.1
319.04501	0.8
331.17596	25.2
332.17856	0.5
337.09076	0.4
339.05420	0.4
349.18643	12.5
349.97290	0.4
387.16577	3.5
391.19745	46.8
392.19943	0.8
574.00995	0.4
725.19543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19744	0.4
56.26154	0.3
57.03455	0.6
59.01379	2.4
60.99304	0.4
67.01884	2.6
68.28278	0.4
71.01388	1.8
72.99306	0.6
81.03439	0.7
83.01388	0.5
83.05037	0.6
85.02942	8.6
87.00864	5.1
87.39638	0.4
93.03439	18.6
95.01350	0.4
97.10976	0.4
99.04488	0.6
102.98579	0.9
107.05031	0.4
109.02954	2.4
111.04482	3.8
113.02439	0.6
117.03452	0.5
119.04991	4.6
123.04504	0.5
127.04020	2.6
133.02940	2.2
135.04520	6.1
137.02429	2.7
139.04007	0.5
145.02957	0.8
154.36583	0.5
155.03502	0.9
161.02400	2.8
163.04015	5.1
166.44797	0.4
173.04520	10.1
177.01900	0.9
178.26631	0.4
179.03459	2.2
189.01941	0.9
191.05595	100.0
192.05968	4.5
193.06029	2.3
197.04491	0.7
229.77805	0.4
231.05005	0.5
237.79865	0.5
297.07605	2.4
310.15640	0.4
337.03659	0.8
337.09247	7.8
341.06396	0.6
353.09250	1.3
371.09653	3.4
383.07742	0.7
387.12988	0.9
533.13220	3.5
544.24542	0.5
707.17603	0.7
725.19189	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	724.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	3.1
69.03451	1.7
78.95885	25.1
84.78616	2.4
103.98251	2.0
109.06579	2.3
122.98522	4.3
145.10136	1.8
152.99591	12.7
163.11259	2.2
168.04224	2.8
171.10298	6.7
181.12366	2.0
194.50667	2.0
207.10225	4.0
224.06961	2.7
227.12561	1.7
239.12917	12.7
277.21713	100.0
306.88321	2.0
316.85785	1.7
434.67136	1.6
446.19690	2.2
453.08545	1.7
464.20422	2.4
657.26843	2.0
707.38239	3.9
724.41888	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	3.1
69.03451	1.7
78.95885	25.1
84.78616	2.4
103.98251	2.0
109.06579	2.3
122.98522	4.3
145.10136	1.8
152.99591	12.7
163.11259	2.2
168.04224	2.8
171.10298	6.7
181.12366	2.0
194.50667	2.0
207.10225	4.0
224.06961	2.7
227.12561	1.7
239.12917	12.7
277.21713	100.0
306.88321	2.0
316.85785	1.7
434.67136	1.6
446.19690	2.2
453.08545	1.7
464.20422	2.4
657.26843	2.0
707.38239	3.9
724.41888	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4333
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01381	7.0
63.41050	0.5
71.01384	5.4
78.95902	5.4
83.01417	0.7
83.05031	1.5
84.09395	0.6
85.02946	0.9
87.00873	0.8
89.02437	3.8
89.67218	0.6
91.11680	0.6
95.01447	0.6
95.85959	0.6
97.06619	1.1
99.00838	0.8
101.02429	3.6
109.06572	0.7
113.02480	1.1
119.03515	0.7
127.03646	0.7
127.07632	0.7
143.48886	0.6
152.84015	0.6
152.99541	8.7
161.04501	0.9
163.11276	1.5
165.12810	10.1
183.13875	65.7
191.10851	0.9
199.49339	0.6
209.11824	25.3
227.03293	1.0
227.12877	6.4
235.08289	1.5
253.09250	5.0
277.21713	100.0
278.22165	1.6
445.20648	0.7
487.19275	9.1
544.71838	0.7
723.43054	77.0
724.43445	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	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
71.01370	2.6
73.02946	1.4
80.02649	0.4
81.03461	0.4
83.01388	0.4
83.05012	3.1
84.02161	0.5
85.02934	0.6
87.00890	0.7
89.02423	2.5
95.05048	0.3
101.02419	2.9
113.02430	1.5
119.03452	0.6
132.17650	0.3
145.05096	0.5
152.38353	0.3
157.31674	0.3
161.04541	1.4
163.11269	3.8
165.12798	2.1
173.81276	0.3
179.11542	0.3
188.09010	0.3
191.10748	0.5
209.11816	64.6
210.12112	0.8
227.12865	5.8
235.08223	4.0
236.66492	0.4
253.09203	7.2
259.20572	0.5
275.19983	0.4
277.21695	100.0
278.22058	1.8
301.02988	0.3
744.37384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.66911	0.2
57.03450	0.3
58.00591	0.3
59.01376	5.0
63.52297	0.2
71.01371	3.8
71.01705	0.3
72.99295	0.2
73.02954	1.1
78.95885	4.2
80.02721	0.2
81.02568	0.2
81.88342	0.2
83.01376	0.4
83.05033	1.5
84.02174	0.2
85.02963	1.4
85.80758	0.2
87.00878	0.4
89.02433	2.5
92.10126	0.5
96.68397	0.2
96.96929	0.3
97.06557	0.2
99.00819	0.2
101.02430	3.6
102.25155	0.2
111.08173	0.3
113.02454	2.0
119.03506	1.1
133.05060	0.5
152.99593	7.6
154.26549	0.2
161.04529	1.1
163.11281	1.4
165.12851	6.1
171.00699	0.8
181.12404	0.3
183.13892	100.0
184.14247	1.2
207.10291	0.5
209.11839	21.2
210.12088	0.3
227.03223	0.9
227.12886	4.3
235.08212	1.9
245.04094	0.3
253.09271	3.6
253.21790	1.9
277.21716	31.0
278.22040	1.5
380.86191	0.2
419.22867	0.4
445.20856	1.0
455.16937	1.1
463.21872	3.2
487.19446	8.5
666.05133	0.3
685.28040	0.2
691.38306	1.0
705.42456	0.3
723.43018	54.1
724.43109	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	723.409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20923	0.4
53.85866	0.4
68.98723	0.4
78.95899	26.8
78.96338	1.0
80.02702	1.8
81.03465	0.9
83.05017	6.9
84.02182	0.9
95.05020	0.5
96.96957	3.7
125.06059	0.5
135.08209	0.7
149.41901	0.5
151.32147	0.5
152.99567	38.3
156.65706	0.5
163.11272	5.3
165.12782	3.8
171.00594	4.8
191.10760	1.1
209.11826	100.0
210.12181	0.9
227.03290	3.2
227.12894	7.0
238.87021	0.6
244.97603	0.5
245.04292	1.8
253.21677	12.3
255.23389	0.7
259.15405	0.6
271.28073	0.5
274.87405	0.5
363.12177	1.2
395.15332	0.7
437.15656	1.1
455.17038	6.3
487.19498	43.1
488.20087	0.8
652.46442	0.7
691.37726	5.5
723.40863	45.2
724.41364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
71.01369	3.0
77.30462	0.2
80.02673	1.1
81.03446	1.4
83.01393	0.3
83.05014	5.6
84.02178	1.1
85.02932	0.9
89.02418	2.3
95.01404	0.2
95.05026	0.9
97.66576	0.2
101.02439	3.0
101.03448	0.2
109.06633	0.2
113.02448	1.0
113.05925	0.2
119.03468	0.3
125.06094	0.2
135.08133	0.9
147.11826	0.3
152.99548	0.2
158.17361	0.2
161.04530	0.4
163.11287	4.4
165.12801	3.4
171.60480	0.2
181.12335	0.4
191.10753	1.7
209.11832	100.0
210.12111	1.4
227.12898	8.0
235.08203	0.4
248.90894	0.2
253.09274	5.6
275.20114	0.3
277.21719	46.5
278.22119	0.7
349.68390	0.2
437.29053	0.2
438.05893	0.2
445.20770	0.3
522.51318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69629	0.5
58.05711	0.5
59.91999	0.4
61.67417	0.5
65.35859	0.6
69.72404	0.5
77.75452	0.5
78.95885	25.7
79.76289	0.6
80.02684	1.3
81.03439	0.8
83.05019	6.4
84.02151	1.0
85.06331	0.6
89.98438	0.6
96.96960	1.5
109.06560	0.7
112.97312	0.6
135.79997	0.6
137.59579	0.6
140.47923	0.6
152.99570	43.6
163.11292	7.0
165.12849	5.1
171.00584	4.3
178.55798	0.6
191.10727	2.3
199.13388	0.8
207.10188	1.4
209.11823	100.0
227.03134	5.0
227.12848	13.8
245.04187	1.2
248.15262	0.7
253.21658	9.7
277.21600	7.5
331.37921	0.6
342.74506	0.6
363.12216	0.9
369.17786	0.7
395.15021	0.8
437.15869	0.9
455.16718	4.5
463.21481	0.7
487.12424	1.2
487.19498	37.8
503.04602	0.7
691.38428	3.4
723.40875	42.2
724.41309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86517	0.1
52.08598	0.1
58.00587	0.3
59.01373	27.1
59.07180	0.1
60.01715	0.1
61.98823	0.3
62.13897	0.1
64.33385	0.1
71.01383	0.7
71.05002	1.5
73.47812	0.1
80.44923	0.1
85.02964	0.6
87.71256	0.1
89.02436	0.7
92.10794	0.3
93.55021	0.2
99.04525	0.2
100.13209	0.2
101.02431	0.6
101.06050	0.3
113.02443	0.3
119.03458	0.7
119.88896	0.2
124.01669	0.2
143.10005	0.1
152.20984	0.1
158.23152	0.2
179.05511	0.2
191.05571	0.6
227.88148	0.2
337.25314	0.2
355.26492	0.6
375.26987	0.2
377.28424	0.4
379.29959	1.2
382.65091	0.2
389.28406	0.6
391.30084	2.3
393.27911	0.3
407.29535	0.3
409.31125	2.9
425.30600	0.3
427.32330	1.2
439.32187	0.3
440.34491	0.2
441.30255	1.8
453.29868	0.7
457.33469	1.0
469.29761	0.3
471.31195	0.8
483.31137	10.0
484.31241	0.4
489.32397	1.1
501.32227	100.0
502.32535	4.0
515.34045	0.3
543.33466	0.8
663.37299	1.5
723.39832	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	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39654	0.2
56.23947	0.3
59.01376	31.0
60.62273	0.3
61.98821	2.8
69.65245	0.3
71.01371	2.8
71.05027	2.2
72.99319	0.3
73.02954	1.9
82.48743	0.3
85.02943	2.3
87.00890	0.6
89.02444	1.4
92.64197	0.3
93.03434	0.7
97.37924	0.4
99.04456	0.3
101.02430	2.4
101.06059	1.4
109.22548	0.4
112.07749	0.3
113.02438	1.8
119.03506	1.3
135.04477	0.4
143.36803	0.4
151.00276	0.3
161.02519	0.4
179.05527	0.5
191.05606	5.0
209.11772	0.4
367.26480	0.5
375.26877	1.4
377.24432	0.4
379.29968	5.9
391.30112	7.7
393.28125	2.7
405.27826	0.7
407.29636	0.6
409.31161	10.4
421.31116	0.4
423.28940	1.3
427.32172	1.2
439.32120	1.6
453.30170	1.3
455.31723	4.7
457.33188	1.6
471.31180	7.1
483.31360	1.2
489.32159	3.7
501.32242	100.0
502.32617	3.7
543.33356	1.9
663.37781	1.6
723.39984	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	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80721	0.2
58.00601	0.3
59.01381	25.7
61.98837	0.3
63.74928	0.2
71.01374	1.7
73.02930	1.0
85.02943	0.9
89.02440	1.1
93.03452	0.3
101.02438	1.2
104.58554	0.2
109.06582	0.3
113.02425	1.3
113.84071	0.2
114.36927	0.3
119.03476	0.5
127.56313	0.2
175.11279	0.3
191.05588	1.4
209.11865	0.8
221.06812	0.3
225.95186	0.2
333.19119	0.4
347.17068	0.3
347.23605	0.3
363.26907	3.9
375.26767	0.3
377.28693	2.1
379.30048	6.0
391.30054	2.9
393.27930	0.9
407.29532	2.0
409.31131	22.3
410.31549	0.4
411.29086	0.3
423.29059	0.8
425.30716	2.6
427.32147	3.8
453.30096	9.1
455.31757	1.8
457.33231	1.4
467.31369	0.3
471.31168	3.9
483.31284	0.3
500.31177	0.3
501.32224	100.0
502.32397	3.2
513.32129	1.6
543.33685	0.5
663.37250	1.2
723.39594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66027	0.7
52.37850	0.6
57.23722	0.7
58.95149	0.7
59.01379	55.1
61.98824	9.9
71.01373	10.8
71.05011	4.6
72.20586	0.8
72.99290	1.1
73.02937	1.3
75.00867	1.0
85.02957	4.6
87.00873	1.2
89.02419	9.7
93.03442	1.8
101.02425	4.5
109.06554	1.0
109.26527	0.9
112.53703	0.9
113.02438	5.8
117.14590	0.9
119.03473	4.6
135.04463	1.1
179.05588	3.5
191.05603	10.9
192.05867	0.9
203.74658	0.8
207.10211	1.5
209.11810	1.2
218.01578	0.8
355.26370	1.3
377.28104	1.0
381.28076	1.8
391.29700	1.3
397.31244	6.1
409.31229	6.3
421.31320	1.3
425.30521	12.4
426.31299	1.0
427.32126	79.4
428.32544	1.3
439.32095	7.6
441.30072	5.9
453.29965	13.1
455.31534	1.2
457.33264	16.1
459.31149	4.1
465.29651	2.0
471.31470	2.7
483.31104	11.6
485.32581	1.8
489.32239	57.1
490.32718	0.9
501.32220	100.0
502.32733	1.5
513.32318	1.2
533.31317	1.9
543.33368	3.9
663.37030	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
60.15733	0.4
60.98985	0.7
60.99302	18.8
63.62062	0.4
77.68966	0.4
88.98792	100.0
92.63833	0.5
117.03436	0.6
119.04986	0.4
145.02921	2.5
191.05573	2.0
406.53461	0.5
564.92004	0.7
633.37585	2.3
635.38544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73706	0.6
60.99303	18.6
61.98831	1.4
67.11787	0.8
85.02980	0.6
85.72241	0.6
88.98790	100.0
92.10843	3.6
93.03452	1.6
117.03462	1.3
119.05009	1.5
125.02312	0.7
145.02953	9.0
184.29950	0.7
189.28661	0.7
191.05621	8.3
209.11807	0.8
211.36942	0.8
246.55170	0.8
339.77219	0.7
461.25613	0.8
534.44977	0.8
597.67334	0.8
633.38129	3.6
688.59570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
60.99346	0.4
67.01894	1.9
71.01382	1.0
73.02934	0.4
81.03458	0.7
83.05018	0.5
85.02944	12.9
85.03420	0.7
87.00872	6.1
93.03444	12.0
95.29251	0.4
99.04530	0.5
109.02950	7.6
111.04496	3.6
127.04015	2.9
133.02940	0.7
137.02437	6.3
139.41882	0.5
145.02988	0.9
147.04500	6.3
149.06120	1.0
150.57195	0.4
155.03482	0.4
157.02960	3.9
159.04489	3.7
161.02463	1.6
163.04024	3.0
173.02426	3.7
173.04546	4.4
174.03226	4.6
175.02571	0.5
175.04007	11.4
177.01967	0.5
191.05615	100.0
192.06003	0.8
201.01974	6.7
203.03447	0.8
219.02995	13.3
221.06151	0.6
229.01410	20.4
230.42662	0.6
237.05450	0.6
239.07262	0.6
240.16940	0.5
241.05093	0.9
249.05540	2.2
251.07112	0.5
253.04980	0.5
254.05914	0.7
264.04208	0.9
265.04968	3.5
267.06616	3.8
269.04810	1.7
269.08218	3.5
276.04129	0.6
277.04990	4.6
292.03885	0.9
293.04599	6.4
295.06097	12.0
297.03992	1.1
313.07199	2.7
321.04016	9.3
339.05078	12.5
349.09286	0.6
357.06079	0.9
371.09927	0.7
393.08167	3.8
434.95270	0.5
513.10254	7.5
519.20154	0.4
531.11627	6.3
585.14655	3.5
648.09082	0.5
680.07123	0.5
705.16278	1.8
723.17883	27.0
738.31781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52456	0.2
56.86538	0.2
57.03472	0.6
59.01387	0.6
59.65401	0.4
67.01898	1.6
71.01392	1.4
78.02061	0.3
81.03491	0.4
83.05099	0.3
85.02943	11.4
87.00864	4.0
90.42874	0.3
92.10143	0.6
93.03443	11.0
109.02947	9.3
111.04469	3.3
115.00415	0.4
119.05005	0.3
121.02951	0.7
127.04006	3.5
129.01965	0.3
129.03419	0.7
133.02977	0.8
135.04510	1.4
136.01674	0.4
137.02428	20.8
145.02966	2.8
146.03723	1.7
147.04501	14.4
149.06064	1.8
155.03470	0.4
157.02876	0.5
158.03786	0.4
159.04517	6.5
161.02429	2.0
163.04007	0.8
171.02962	1.5
173.02367	0.5
173.02994	0.3
173.04494	4.4
175.03986	10.0
177.05585	1.2
191.05600	100.0
192.05972	1.8
201.01944	3.9
203.03612	0.4
218.02133	0.5
219.02992	17.4
229.01344	3.4
249.05609	0.5
259.69650	0.4
267.06607	1.4
269.08163	9.9
277.05063	1.2
293.04398	0.6
294.05063	0.4
295.06042	4.3
297.04071	0.7
321.04016	1.2
339.05011	3.4
357.06363	0.6
436.47223	0.3
438.42618	0.4
531.11707	4.2
549.12341	1.2
585.14832	0.4
723.17859	26.6
724.18408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79779	0.3
59.01373	0.8
59.75496	0.3
60.99284	0.3
62.24500	0.3
64.90032	0.3
67.01890	1.5
71.01384	1.5
80.81670	0.3
81.03435	0.5
83.05038	0.5
85.02942	11.3
85.03418	0.6
87.00853	4.2
93.03439	13.4
99.04549	0.4
105.03471	0.5
109.02936	4.4
111.04507	2.7
127.00333	0.4
127.04003	2.9
132.97540	0.3
133.02933	6.5
135.04482	0.4
137.02417	4.0
147.04529	4.6
149.02431	0.4
149.06110	0.4
151.04036	0.4
155.03529	0.6
157.02922	0.7
159.04495	2.1
161.02548	0.4
163.04024	0.5
171.03029	0.5
173.02400	0.8
173.04520	4.9
174.03157	0.5
175.03958	4.0
177.01904	0.7
191.05602	100.0
192.05943	4.2
193.06149	0.7
201.01956	1.9
215.05629	0.4
218.02269	0.4
219.02998	4.8
224.04770	0.5
225.05524	0.4
229.01472	4.1
241.04953	0.4
249.05632	0.8
253.04912	0.6
254.05843	0.6
265.05032	0.7
267.06610	1.7
267.44733	0.3
269.04614	1.5
269.08170	2.9
277.05096	2.8
293.04538	3.7
295.06116	9.8
297.04074	1.6
307.08255	0.4
313.07083	0.6
321.04086	4.0
339.05038	2.4
351.07263	3.3
353.08777	3.1
355.09183	0.4
369.08240	5.2
513.10413	1.5
531.11554	1.5
723.17853	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90179	0.3
53.02215	0.3
56.24715	0.3
57.03464	0.4
59.01384	1.8
59.05730	0.3
59.35213	0.3
67.01914	1.7
71.01395	1.5
81.03458	0.5
81.38475	0.3
82.49397	0.3
83.05034	0.8
85.02946	9.5
87.00871	2.7
91.60538	0.3
93.03452	12.4
108.02136	0.4
109.02937	5.3
111.04510	3.0
121.02935	0.4
127.03970	2.5
128.43214	0.3
129.01936	0.4
133.02950	0.8
135.04494	10.0
137.02422	3.3
145.02942	0.5
147.04538	1.7
155.03491	1.7
157.02954	0.3
159.04529	1.3
161.02419	3.1
163.04007	0.6
171.02992	0.4
173.02380	0.8
173.04526	14.8
174.03236	1.2
175.02521	1.1
175.04001	3.1
179.03481	7.4
191.05603	100.0
192.05948	2.4
193.06187	0.8
201.01929	1.9
219.03001	3.3
221.05960	0.4
224.04626	0.4
225.05528	0.7
229.01379	0.6
237.05452	0.6
240.01004	0.4
241.04982	0.7
242.05862	0.4
243.06572	0.5
248.04533	0.4
249.05594	1.4
253.05174	1.5
254.05948	0.5
265.04980	0.7
267.06534	1.3
268.03964	0.4
269.04608	1.6
269.07983	2.4
277.04941	3.6
278.05618	0.4
280.03653	0.3
292.03870	0.6
293.04492	3.9
295.06113	12.2
297.04041	1.7
321.04037	5.7
339.05057	2.3
353.08737	12.1
354.09027	0.5
513.10010	0.5
531.11420	2.9
616.58923	0.4
723.17731	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	15.1
71.01371	5.1
73.02928	0.8
76.40126	0.5
76.56419	0.4
78.95908	0.9
80.02673	1.0
81.03445	4.3
83.01365	0.7
83.04995	3.6
85.02962	2.0
87.00845	0.7
89.02406	3.4
97.02933	7.9
99.00848	1.0
101.02425	5.4
106.04216	0.6
107.05027	0.7
107.08683	0.5
109.06577	39.2
110.03731	1.9
113.02451	2.0
121.06563	2.2
125.09683	0.6
135.08125	5.3
136.05309	1.1
142.02692	2.2
152.99551	0.8
161.04527	1.2
161.09692	2.1
163.09886	0.9
163.11267	25.3
174.21333	0.4
179.05542	0.6
180.03314	0.5
181.12337	6.0
189.09184	2.5
207.10251	100.0
208.10556	0.6
209.11887	2.1
210.88832	0.5
221.11848	0.7
225.11310	42.2
226.11772	0.7
235.08241	2.0
243.24675	0.6
253.09227	9.4
259.20547	0.6
277.21698	66.6
278.21994	0.8
299.14984	2.1
321.54855	0.5
381.63177	0.5
437.84528	0.5
439.95139	0.5
441.33859	0.9
443.19046	3.6
461.20227	12.3
485.18036	2.5
559.35583	0.5
703.40491	1.1
721.41681	35.9
722.42126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05873	0.3
55.01881	0.6
57.03435	0.5
57.80609	0.3
57.89634	0.4
59.01374	10.5
60.77483	0.3
62.33724	0.3
71.01368	3.8
73.02950	1.0
76.99313	0.4
78.95874	0.7
81.03453	1.1
83.05024	0.7
85.02920	1.5
87.00884	0.9
89.02438	3.3
92.72153	0.4
97.02934	6.1
99.00860	0.5
101.02425	6.9
107.05026	0.4
109.06576	17.4
110.03725	1.7
113.02438	2.6
119.03488	0.8
121.06571	0.8
123.04538	0.5
125.09695	0.4
135.08148	2.8
136.05290	1.0
142.02692	2.1
145.05037	0.5
152.99593	2.3
161.04503	0.7
161.09654	0.9
163.11273	12.0
179.10812	0.5
181.12305	3.5
189.09190	1.9
207.10251	56.5
225.11313	18.1
235.08182	4.1
253.09227	7.1
259.20612	0.6
277.21707	100.0
278.22009	2.2
281.14035	0.6
299.14810	0.7
443.19174	2.6
461.20444	3.3
513.30365	0.6
661.92932	0.5
703.40131	0.9
721.41614	21.2
722.41724	0.7
733.31207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31055	5.2
54.81257	3.9
59.01392	9.6
60.88003	4.4
78.95895	54.7
81.03396	6.0
109.05959	7.3
109.06577	61.2
110.03785	5.2
112.63303	5.6
152.99583	85.8
163.11270	35.6
171.00586	6.9
207.10310	100.0
225.11314	54.3
240.90056	5.7
253.21687	26.1
361.10464	6.9
453.15253	37.5
485.17899	84.1
689.36432	38.6
721.39667	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77774	0.4
59.01377	32.1
61.98841	0.6
62.25623	0.5
69.80451	0.5
71.01372	4.7
72.99290	0.8
73.02962	1.0
83.05026	5.8
85.02946	2.2
87.00867	0.9
88.98816	0.6
89.02437	3.8
93.03427	0.8
96.95995	1.1
101.02426	3.0
109.06550	0.5
113.02463	1.1
119.03481	0.8
120.99642	3.2
122.99197	0.9
125.02460	0.7
128.95662	0.5
147.16679	0.5
158.49715	0.5
161.04482	0.8
171.10225	5.0
189.09111	0.6
191.05568	7.7
209.11772	5.5
225.11252	0.7
227.12555	0.6
311.23700	0.9
341.24722	6.1
377.28555	2.1
397.27435	0.7
405.28510	0.7
407.29617	3.3
425.30573	1.0
427.28180	0.7
433.11353	0.7
451.28592	21.4
455.31436	0.7
469.29590	2.4
481.29529	10.5
487.34308	2.6
499.30640	100.0
500.31143	4.5
511.31082	0.8
541.31628	1.1
553.62451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08175	0.5
57.03447	1.0
58.00607	0.9
59.01379	47.0
61.98846	1.4
69.03437	0.6
71.01382	21.2
71.05016	14.1
73.02959	3.3
81.03469	0.8
81.70677	0.5
83.01389	0.6
83.05040	1.4
85.02967	4.9
85.06614	0.9
87.00871	1.1
87.04530	0.7
89.02461	3.2
92.10786	1.4
93.03462	3.8
96.96006	0.9
99.00978	0.6
99.04538	1.3
101.02445	3.5
101.06092	2.7
109.02965	1.3
109.06600	3.4
113.02410	4.4
113.06149	0.7
119.03476	2.3
133.02943	0.6
135.04518	3.9
135.08130	0.9
153.09213	0.7
161.04611	0.9
163.11369	4.0
171.10255	4.1
177.01932	2.4
189.01962	5.3
189.12883	1.4
191.03798	0.8
191.05603	20.0
191.07343	0.7
192.05911	1.2
197.11836	2.9
207.10262	8.0
209.11835	17.8
217.01392	3.2
219.13815	0.6
225.11317	5.8
227.12938	3.1
239.17957	2.2
253.09276	0.9
307.20627	0.8
309.22116	1.3
319.19116	1.2
321.22101	7.2
323.23788	1.4
335.23917	2.9
339.23184	3.8
341.06735	1.3
351.23291	2.7
353.24963	3.8
365.24869	0.8
391.26337	3.7
395.25607	0.7
395.29745	8.6
403.24768	0.9
407.24640	0.8
407.29608	18.1
407.34973	0.6
409.27505	3.1
411.29193	6.2
421.27176	3.9
423.29044	3.6
425.30652	16.6
433.27670	5.1
437.30716	3.5
439.28549	3.2
443.27673	1.1
451.28470	5.5
453.30087	4.6
455.31686	42.6
456.32230	0.8
461.20169	1.4
469.29633	29.9
487.30667	100.0
488.31018	5.4
499.30774	4.6
513.32062	1.0
531.30170	0.7
541.31500	5.0
721.36145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95726	0.5
53.51947	0.6
57.03445	1.5
58.00584	1.2
59.01377	46.8
61.98824	1.1
62.10177	0.5
68.26828	0.6
69.31827	0.6
70.86233	0.5
71.01369	20.7
71.05004	14.4
73.02947	3.5
81.03439	0.8
81.90866	0.7
83.01395	0.7
83.05038	2.6
84.67245	0.6
85.02960	5.3
85.06584	2.6
87.00874	1.2
87.04522	0.8
89.02451	2.9
93.03471	3.3
96.43883	0.7
96.96017	0.9
97.02953	1.4
97.90414	0.6
99.04491	0.9
101.02432	5.5
101.06066	3.8
109.06587	4.1
109.49731	0.7
113.02465	2.9
119.03507	3.5
123.04484	0.9
125.02396	0.9
133.02902	1.1
135.04526	3.4
137.02486	0.7
138.44606	0.7
161.02458	0.8
161.04585	0.7
163.11255	3.1
171.10243	4.3
173.04633	0.8
177.01929	1.0
179.03630	0.8
181.12302	1.2
185.11856	0.8
189.01942	4.1
189.12851	0.7
191.05608	20.0
197.11775	2.9
199.13402	1.0
201.11433	1.6
207.10201	9.1
209.11830	23.4
217.01431	4.5
225.11316	6.1
227.12901	3.5
239.17975	2.4
253.09254	2.4
309.22272	2.5
315.98782	0.7
319.19070	1.0
321.22235	7.2
323.23679	1.2
335.23788	4.1
339.23312	6.0
341.06760	1.5
351.23349	1.5
353.24884	3.1
365.24597	1.1
369.24512	0.8
377.24835	1.6
391.26453	3.9
395.29745	6.2
403.25092	0.8
407.29575	16.6
409.27420	3.8
411.28894	5.4
421.27542	3.8
423.29065	3.0
425.30600	13.9
429.24893	0.7
433.27463	4.6
437.30499	3.1
439.28464	1.5
443.27808	0.9
451.28571	5.6
453.30161	3.1
455.31628	43.5
456.31863	1.0
469.29556	28.3
470.30176	0.8
487.30646	100.0
488.30969	3.3
499.30405	5.2
541.31885	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01377	36.6
63.65053	0.3
67.15792	0.3
71.01375	3.5
73.02941	0.7
74.79776	0.3
80.34172	0.3
81.03452	0.4
85.02940	3.4
87.00855	0.4
87.67136	0.3
89.02465	1.6
93.03455	1.7
95.01367	0.5
96.95982	0.4
101.02434	2.6
113.02446	2.6
115.00468	0.4
119.03495	2.0
120.99649	4.3
121.02900	0.5
125.02427	0.6
131.18774	0.4
133.02954	0.5
135.04494	0.8
161.02437	0.6
161.04485	0.6
175.03970	0.5
191.05591	8.5
225.28040	0.4
333.22394	0.6
349.25327	2.0
361.25403	0.9
363.26974	0.5
379.26413	7.8
389.28729	0.6
393.27972	4.5
395.29547	3.5
405.28384	0.8
407.29391	2.5
409.27509	1.9
423.29141	2.0
425.30624	53.3
426.30759	1.6
427.28506	1.8
451.28699	1.6
492.24832	0.4
499.30661	100.0
500.31070	4.2
511.30640	3.2
541.31573	0.6
617.74103	0.4
661.35669	1.7
669.99219	0.5
683.24231	0.5
721.37543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.7
59.53608	0.5
61.98832	0.7
65.40754	0.6
65.99493	0.5
71.01369	6.9
71.05007	8.6
73.02941	2.4
75.68614	0.7
77.56456	0.6
80.27027	0.6
83.01394	0.7
85.02937	4.8
89.02431	2.9
92.10812	0.9
93.03436	2.9
96.95972	0.9
99.04516	0.7
101.02422	3.9
109.02960	1.0
113.02441	3.3
119.03470	1.3
121.06577	0.7
127.04046	0.7
135.04489	0.7
139.50085	0.6
157.10123	0.9
161.04568	1.3
177.01918	1.2
179.05664	0.7
189.01833	2.7
191.03999	1.0
191.05620	20.4
192.05904	1.6
193.67317	0.7
209.11761	1.2
217.01408	1.2
309.22186	1.1
321.22324	0.7
323.23868	1.0
339.23257	1.4
341.06659	0.8
353.24796	1.2
357.31018	0.7
379.26199	1.1
381.28070	1.0
395.29602	5.5
407.29736	5.3
407.97849	0.7
409.27515	2.9
421.27576	1.0
423.29065	9.1
425.30643	55.1
426.30917	1.4
436.24194	0.7
439.28513	11.2
443.52686	0.8
455.31607	8.0
457.29562	4.9
469.29477	3.7
487.30655	100.0
488.30817	2.6
499.30762	5.1
511.30551	1.6
531.29633	1.4
541.31604	1.2
595.64087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71325	0.1
53.10464	0.1
57.03452	0.1
59.01364	0.9
61.10914	0.1
67.01889	0.2
71.01374	0.7
73.02929	0.2
81.03452	0.2
83.05061	0.1
85.02936	6.1
87.00858	1.1
91.94740	0.1
92.10157	0.4
93.03432	2.7
99.04495	0.2
109.02933	0.7
111.04508	1.0
127.03987	1.8
133.02933	0.7
135.04523	1.2
135.05385	0.1
137.02422	0.2
155.03477	0.5
161.02420	1.7
171.02998	0.5
173.04477	1.7
179.03503	0.8
191.05600	100.0
191.60704	0.1
192.05859	0.9
200.66374	0.1
215.44647	0.1
263.03577	0.1
293.04694	0.2
337.03506	0.5
337.89285	0.1
353.08786	10.4
515.90094	0.1
529.09631	0.2
560.03418	0.2
721.18591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78004	0.6
59.01364	0.7
60.99302	20.2
88.84132	0.7
88.98789	100.0
91.14446	0.8
105.42448	1.0
111.08333	0.8
145.02921	1.4
191.05582	5.8
255.23259	0.8
347.95883	0.8
455.31778	4.8
456.31940	1.4
469.33447	1.2
471.34933	1.0
485.32767	10.0
486.32861	2.6
690.46973	0.9
698.08075	0.8
732.38855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.3
59.01380	2.1
61.98837	0.3
71.01405	0.3
73.02955	0.5
83.01424	0.3
85.02934	0.9
87.00861	0.4
88.55320	0.4
93.03461	0.9
96.16063	0.4
99.31231	0.4
120.99645	100.0
121.99938	0.4
122.99226	0.5
123.04604	0.4
135.04483	0.5
166.06345	0.6
175.03944	0.6
177.01854	0.3
191.05615	8.1
192.99628	1.6
199.93536	0.3
246.04007	0.5
283.02521	0.4
303.21710	0.5
343.11868	0.5
449.69138	0.5
499.31540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
58.44733	0.1
59.01364	1.0
67.01910	0.2
69.03454	0.2
71.01382	0.6
79.52808	0.1
81.03454	0.2
83.05007	0.1
85.02937	5.9
87.00853	1.8
93.03433	3.1
99.04500	0.2
107.39547	0.1
109.02955	0.5
111.04520	1.1
127.04007	1.6
133.02922	1.0
135.04485	1.0
137.02429	0.2
161.02426	1.8
171.03050	0.2
173.04521	1.2
179.03426	0.7
191.05595	100.0
192.05998	0.9
216.80061	0.1
218.99861	0.1
219.02951	0.1
221.81329	0.1
228.29034	0.1
265.04944	0.2
293.04562	0.2
319.02368	0.2
337.03525	0.6
353.08777	11.3
721.18134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64328	0.4
53.93465	0.4
53.99296	0.4
59.01385	0.4
61.98831	100.0
65.19009	0.4
72.56612	0.5
80.96553	0.6
94.37568	0.5
107.39960	0.5
191.05579	3.8
195.34308	0.4
198.16150	0.4
209.11758	0.6
210.12042	0.7
377.38971	0.5
380.17874	0.5
483.72379	0.5
503.33789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28640	0.4
57.03450	1.5
59.01388	2.2
60.99306	0.4
64.58046	0.4
67.01894	1.8
69.03462	0.6
71.01376	1.8
81.03467	0.9
85.02937	9.8
87.00861	4.6
89.30054	0.4
92.10780	0.6
93.03440	13.4
96.96004	0.6
99.04548	0.4
109.02951	2.7
111.00875	0.5
111.04495	2.9
121.02914	1.7
123.04527	1.9
125.02409	3.2
127.04007	2.1
133.02950	2.5
135.04497	4.7
137.02402	1.8
139.04039	1.8
149.02423	2.2
153.01949	0.5
155.03482	1.0
161.02432	6.6
161.06142	0.4
163.00345	8.1
171.02960	0.8
173.04558	6.5
175.04047	0.4
177.01881	1.8
178.02542	0.4
179.03455	4.0
183.02928	0.8
191.05600	100.0
192.05939	2.5
193.01474	3.7
201.01965	0.4
217.17339	0.4
221.06166	0.5
227.03618	0.6
229.01489	0.6
237.05406	0.5
242.05124	0.4
265.05161	0.9
267.06592	4.9
284.03058	0.6
285.03989	0.7
291.03131	0.6
293.04416	3.1
311.05435	1.7
337.03433	1.8
353.08878	1.8
513.10052	0.6
547.10767	0.7
652.02759	0.5
721.16150	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	719.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91079	0.3
59.01377	1.9
63.96236	0.3
71.01369	0.4
78.52968	0.3
85.02972	0.5
89.02427	0.4
93.03463	0.7
116.92818	0.3
120.99630	100.0
125.02399	0.6
135.04507	0.5
137.38033	0.3
137.68620	0.3
139.84901	0.3
157.47794	0.3
191.05569	3.3
192.99597	1.2
197.47165	0.4
223.04289	0.4
241.05328	0.6
266.72705	0.4
416.28555	0.4
513.58337	0.5
607.11877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
56.25356	0.4
59.01382	6.7
61.98834	1.4
64.32892	0.5
67.01897	0.5
71.01366	4.3
73.02955	0.9
73.48829	0.5
73.78836	0.5
75.52363	0.6
80.02680	0.8
80.96504	2.1
81.03455	1.3
83.01384	3.3
83.05006	6.0
84.02164	2.1
85.02943	2.8
87.00929	0.5
89.02425	2.1
91.82215	0.6
93.03441	0.9
97.02962	0.7
101.02445	3.3
109.06545	0.7
113.02431	1.0
125.09708	4.5
125.34015	0.6
127.11320	0.9
135.08133	0.7
146.46805	0.6
161.04532	1.1
163.11285	7.0
165.12814	3.8
171.10199	3.0
181.12282	1.2
191.05553	5.0
191.10753	4.1
197.11748	0.6
198.15860	0.6
207.10228	1.0
209.11823	100.0
210.12119	2.4
213.14874	1.0
218.10701	0.6
225.00790	0.8
226.12042	1.2
227.12895	10.2
228.87572	0.6
235.08217	1.1
241.14456	1.2
253.09213	9.8
273.17059	81.0
274.17230	0.8
274.24063	0.6
445.20923	0.6
465.28439	1.3
509.26093	0.7
510.99496	0.6
719.29834	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	718.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37992	0.4
53.78178	0.4
61.98827	100.0
65.11665	0.5
72.54846	0.5
78.95879	0.5
86.90109	0.4
100.13495	0.5
100.86437	0.5
119.61732	0.4
139.49498	0.5
513.84558	0.5
677.38770	0.5
711.73346	0.6
725.81702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73471	0.4
52.21030	0.4
54.35553	0.4
54.44859	0.4
59.01370	0.8
61.98824	100.0
69.03441	0.5
72.10354	0.4
82.95413	3.0
85.02942	0.9
96.95987	0.8
113.06028	0.5
163.11292	0.8
180.89832	0.4
191.05574	2.5
207.10287	1.9
208.10591	0.8
209.11801	6.3
210.12128	3.1
239.12914	1.9
240.13414	0.6
243.97240	0.5
453.30161	0.9
471.34464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.43
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31089	0.6
58.25592	0.6
59.01381	1.1
59.06749	0.8
78.95888	13.2
83.05019	1.4
94.67539	0.8
96.96967	1.0
103.82306	0.7
111.04845	0.8
122.00137	1.1
125.06042	0.8
140.01112	7.1
150.00949	0.8
152.99568	1.1
158.41695	0.9
162.49933	0.9
163.11354	1.6
163.66628	0.8
196.03760	1.1
207.94698	0.8
209.11853	24.4
227.12906	3.5
267.56348	1.0
279.23273	100.0
280.23749	1.1
292.37537	0.8
417.60196	1.0
471.35056	10.1
686.40649	7.5
718.42908	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	719.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58743	0.4
58.55047	0.4
59.01385	3.2
64.32635	0.5
67.01890	1.1
67.98170	0.4
69.03464	0.9
71.01372	2.7
73.02924	0.4
81.03439	0.8
83.05024	1.0
85.02940	15.3
87.00865	5.5
87.04482	0.6
89.02394	0.6
93.03436	14.1
99.04467	0.6
109.02939	0.9
111.04514	4.2
111.60383	0.5
113.02412	1.9
117.03466	0.8
119.05001	0.9
121.02922	0.6
127.04001	3.8
133.02951	3.7
135.04544	1.9
135.90636	0.4
137.02419	0.5
145.02954	6.9
147.04434	0.9
153.01958	0.5
155.03456	1.1
157.02921	8.2
159.04510	5.1
161.02402	1.9
163.04001	1.9
171.03110	0.8
173.02467	0.9
173.04532	5.7
175.03897	0.5
177.01941	0.8
185.02361	0.7
189.01912	0.6
191.05602	100.0
192.05873	1.1
196.05330	0.6
203.03508	2.7
215.05508	0.5
217.01407	0.6
223.04050	0.5
229.01404	73.3
230.01672	0.9
235.03966	1.1
237.05569	0.9
237.09821	0.6
238.06317	1.1
240.04398	0.7
249.05434	3.4
252.04260	2.3
253.05026	2.8
263.03412	2.0
264.04178	0.7
265.05035	17.3
266.05804	13.5
267.06595	4.6
268.07376	1.1
276.04187	0.6
277.05011	2.9
279.02960	0.7
281.04791	1.0
281.08215	3.1
283.09796	2.3
291.02948	0.8
292.03696	1.1
293.04468	5.6
294.05350	8.9
295.05814	0.6
304.03735	3.8
307.02472	1.8
309.04089	4.1
309.07721	9.9
310.04739	1.1
320.03387	1.1
321.03964	1.1
325.06784	3.4
327.08679	3.1
335.02463	5.6
335.05722	5.4
337.03387	1.2
340.90533	0.5
351.07352	1.1
351.12683	0.5
352.05945	3.2
353.02945	6.0
353.06650	44.3
354.06967	0.6
363.12955	0.7
381.08319	5.5
470.70361	0.6
483.13153	2.2
499.12326	0.6
527.11993	42.6
528.11829	0.9
695.01697	0.5
719.18066	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	717.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.8
61.98838	1.3
69.03466	0.6
71.01376	1.4
77.43713	0.6
81.03458	0.6
82.95420	3.0
83.05019	3.2
85.02956	1.1
87.00867	0.7
89.02441	3.0
92.10155	1.2
93.03426	0.8
93.88716	0.6
96.96017	2.3
101.02435	3.7
113.02427	1.0
116.92901	0.7
119.03459	0.9
161.04520	0.7
163.11264	3.2
165.12810	1.5
168.89381	0.6
180.31966	0.6
183.13887	8.8
185.70346	0.6
188.99792	0.6
191.05661	1.4
193.12306	1.2
209.11830	58.9
211.13387	100.0
212.13837	0.7
223.59998	0.6
227.12935	7.4
235.08215	1.4
253.09335	5.6
261.13779	0.6
285.03973	1.0
305.07208	0.6
381.21475	0.6
445.20956	0.8
447.22318	7.7
510.75708	0.6
639.33661	0.9
687.15778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47121	0.4
61.98822	100.0
78.95881	0.6
79.83637	0.4
91.01376	0.5
101.70727	0.4
114.38886	0.4
122.94995	0.5
147.00487	0.5
148.20413	0.5
150.44952	0.4
191.05548	0.7
209.11780	0.6
293.21054	0.8
370.55994	0.5
704.89166	0.6
718.39886	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	717.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18129	0.2
51.69364	0.2
52.33631	0.3
54.82109	0.3
59.01383	1.5
60.99309	0.5
67.01892	2.8
69.03456	1.3
71.01380	1.4
71.98669	0.3
81.03466	0.5
83.05042	1.2
85.02940	4.2
87.00868	6.1
93.03438	22.3
99.04516	0.5
109.02953	0.6
111.04501	4.5
113.02446	0.5
114.37717	0.3
119.05006	9.1
127.04003	1.5
129.01941	0.5
133.02800	0.3
145.02936	1.4
155.03540	0.5
163.03995	8.7
166.91277	0.3
173.04518	13.6
191.05598	100.0
192.05911	1.2
217.10791	0.3
290.01871	0.3
308.02710	0.4
336.02496	0.4
337.09283	23.4
351.05133	0.4
353.08749	0.5
357.82941	0.4
648.85181	0.3
658.08496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64785	1.8
54.24669	1.6
56.54147	1.7
57.03468	1.9
59.01402	3.4
60.99311	4.7
61.98835	2.7
66.16306	2.0
68.09589	2.0
71.01401	2.2
71.05017	10.6
85.02969	2.5
85.06602	2.0
96.27924	1.9
96.96035	3.9
109.02955	2.7
116.92828	13.3
121.02945	4.4
135.04538	3.2
150.06828	3.2
166.71715	2.2
170.39589	2.1
172.15408	2.0
191.05623	19.3
234.99501	1.9
321.22086	2.6
397.31155	10.8
407.29947	2.5
409.31018	19.3
427.32150	23.6
455.31577	2.3
457.33289	52.7
487.30643	4.3
489.32089	30.6
495.37283	3.2
512.19305	2.6
517.31262	3.3
519.33221	100.0
681.38293	3.0
717.36243	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71239	0.8
54.81218	0.8
58.17074	0.8
59.01381	0.8
61.98842	1.6
78.95889	15.3
83.05003	1.6
101.14137	0.8
102.79824	0.8
116.24172	0.8
133.02954	0.9
140.01245	7.5
140.02118	0.8
160.76381	1.0
163.11195	1.7
165.83578	0.9
175.01230	1.0
191.05586	1.1
195.05724	1.1
196.03763	2.2
209.11829	39.3
227.12865	2.2
247.56729	0.9
277.21701	100.0
278.21848	1.1
282.07864	0.9
285.05688	1.2
312.88364	0.9
351.63132	0.9
374.58304	1.1
456.19797	1.7
684.38959	13.6
716.41479	38.0
717.41193	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	716.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78949	1.0
57.07585	0.9
61.98816	1.8
69.42945	1.3
78.26569	1.1
78.95893	19.4
81.03444	1.8
83.05009	8.7
84.02196	1.6
104.69917	1.3
108.44300	1.1
140.01141	7.6
163.11229	7.8
165.12814	6.1
191.05524	1.7
191.10760	1.3
196.03751	2.6
209.11821	100.0
227.12901	15.8
258.48865	1.3
277.21677	41.8
474.25916	1.8
545.82458	1.4
652.75751	1.6
684.38617	11.3
716.41632	42.2
717.41870	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	717.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43567	0.2
57.46707	0.2
59.01379	1.0
60.99304	0.3
71.05016	0.5
76.56431	0.2
85.02958	0.3
85.06573	0.2
89.68655	0.2
93.03442	0.5
101.06074	0.4
102.15130	0.2
102.98603	0.3
111.57716	0.2
120.99629	100.0
121.99958	0.3
122.16591	0.2
136.01648	0.3
151.03966	0.4
160.01634	0.3
175.03975	0.4
189.12819	0.3
191.05606	1.8
192.99654	0.6
193.77504	0.2
211.04347	0.5
223.04317	0.3
241.05276	0.5
393.27878	0.4
397.31155	2.8
409.31088	6.9
427.32132	6.1
457.33197	12.2
475.22144	0.3
477.67834	0.3
489.32260	3.7
519.33234	4.9
717.36261	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	717.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01387	1.1
60.99311	1.2
67.01888	3.7
69.03457	1.3
71.01376	1.9
76.22127	0.2
81.03472	1.1
83.05019	0.8
84.69244	0.2
85.02949	4.6
87.00870	6.5
93.03440	25.4
99.00883	0.4
99.04505	0.3
109.02925	0.4
111.04504	4.6
113.02471	0.4
119.05009	9.4
127.03987	1.4
129.01956	0.9
145.02934	1.4
155.03511	0.7
159.80505	0.2
163.03999	8.1
171.02901	0.3
173.04538	10.5
173.06059	0.4
191.05603	100.0
192.05952	0.8
336.02866	0.5
337.09290	25.2
337.85049	0.2
338.09961	0.5
351.04980	0.5
353.09119	0.3
432.29477	0.2
440.56500	0.2
478.03375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23043	2.7
59.01370	27.3
60.19461	3.4
60.62144	2.8
61.98831	6.7
64.88506	2.7
65.77817	3.3
71.01405	3.0
86.26479	2.8
90.72969	2.8
92.10863	5.7
93.03419	3.8
95.36588	2.9
97.02941	3.9
101.02413	6.4
108.89791	3.7
109.02991	3.5
109.06605	27.5
130.73134	3.2
145.02962	3.9
149.02414	3.7
163.11278	15.7
179.92633	3.0
183.13809	5.0
191.05618	18.9
207.10260	62.1
211.13364	100.0
225.11328	27.3
253.09351	4.0
298.89706	3.0
383.22284	4.0
401.23160	3.8
447.22296	4.1
457.58450	3.2
461.20520	5.4
637.32477	25.0
655.33130	34.3
715.39703	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	715.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	3.3
63.01049	0.7
78.91886	1.2
78.95899	0.7
80.91676	20.1
82.39709	0.8
86.13706	0.7
117.03455	22.8
117.04276	0.9
119.05009	17.9
121.02951	1.7
123.04545	1.1
133.02917	0.9
145.02945	100.0
150.10320	0.9
161.07123	0.9
163.04048	0.9
164.93896	0.7
185.02132	5.8
191.05647	3.3
216.00542	0.9
256.34903	0.8
281.24948	0.9
284.90781	0.9
402.69171	0.8
571.37604	0.9
589.38794	1.4
633.38019	51.3
634.38208	1.4
655.36243	1.8
709.74701	1.0
715.37891	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	715.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94556	2.1
59.01380	4.6
66.44808	2.3
71.01392	13.4
72.99304	3.2
73.50625	2.5
75.00883	15.4
78.71107	2.6
81.70714	2.6
85.02955	12.7
89.02442	3.7
95.01405	3.9
99.00871	5.1
113.02438	9.8
145.03363	2.5
209.11838	28.0
255.23267	74.4
260.72607	2.5
281.24728	3.9
282.25281	3.2
308.52136	2.6
476.68854	2.8
715.42737	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	716.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89677	0.6
59.01386	1.0
61.98824	100.0
69.96643	0.7
72.58495	0.6
74.97286	0.7
79.94001	0.7
92.26663	0.7
93.03439	1.1
125.52161	0.8
160.01672	3.2
175.03973	1.4
191.05569	3.8
200.19179	0.8
218.35275	0.8
219.75066	0.7
221.90468	0.9
330.27640	0.8
571.82507	0.8
680.37158	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	715.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48009	1.4
54.15065	1.4
59.01379	19.3
61.98836	3.4
71.01384	8.3
83.01348	1.7
83.05021	1.6
85.02940	3.3
86.32307	1.7
96.29094	1.6
97.02924	2.3
101.02418	4.2
109.06586	18.6
110.67970	1.5
113.02463	2.4
125.18874	1.6
135.08124	1.5
142.02641	1.7
163.11232	12.1
181.12273	2.3
183.13843	11.8
191.05609	11.7
207.10246	56.7
209.11795	2.9
211.13391	100.0
225.11293	20.0
235.08318	2.8
253.09343	6.9
299.51312	1.9
373.23611	2.4
383.21979	3.2
401.23404	10.3
419.24384	3.1
420.79886	2.0
443.19589	2.2
447.22809	1.9
461.19980	4.0
609.32904	3.2
619.31238	2.6
637.32233	28.0
655.33234	27.0
738.44318	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	715.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60280	0.4
57.03448	0.7
59.01376	5.9
61.98827	2.0
67.74052	0.4
69.03445	3.0
71.01386	3.0
71.05024	0.6
73.02934	0.6
80.02687	0.7
82.46389	0.4
83.05017	3.0
84.02144	0.6
85.02961	0.9
87.00901	0.6
89.02453	2.9
92.92837	0.3
93.03472	1.0
95.05064	0.4
96.95982	0.5
97.02988	0.3
101.02440	2.4
109.06580	0.4
111.08137	0.8
113.02435	1.5
135.08171	1.0
145.05054	0.5
147.11876	0.6
153.09215	0.7
161.04550	0.7
163.11272	3.5
165.09094	0.5
165.12769	5.2
181.12328	5.1
181.60834	0.4
191.05649	2.4
191.10762	6.4
207.10202	2.8
209.11829	100.0
210.12207	0.6
225.11324	1.7
227.12874	8.0
235.08209	2.0
253.09261	5.1
445.20743	7.0
538.10992	0.5
610.52606	0.5
637.31885	0.9
651.30737	0.8
669.31744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1692
Annotation	Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
59.01383	2.9
61.00996	0.7
67.01905	0.9
69.03470	0.7
71.01379	1.2
73.02930	0.6
81.03452	3.0
83.01395	0.7
83.05003	7.2
83.13202	0.5
85.02950	2.7
87.00859	4.4
93.03438	20.1
96.96004	3.0
99.00858	0.6
99.04489	0.7
109.02965	4.0
111.04505	33.5
113.00518	1.3
113.02423	0.8
113.46638	0.6
121.06551	1.0
127.03948	0.6
133.02931	4.5
134.03728	1.1
135.04494	16.4
137.02446	9.7
137.04134	0.9
149.02428	2.3
150.03210	2.2
153.03633	3.1
155.03471	15.9
161.02434	19.9
165.05600	1.4
173.04495	2.8
175.04021	0.7
179.03481	6.5
181.03172	1.4
183.01019	1.2
191.05594	12.0
195.06587	1.3
198.04533	1.0
199.04181	17.9
217.05231	9.5
223.04195	1.3
241.05354	0.9
251.03601	2.5
263.07529	0.7
268.05051	0.9
269.01929	1.2
269.04721	25.8
269.07620	1.1
287.05646	4.5
297.04300	0.7
298.04962	2.2
309.07922	13.6
311.05801	2.3
311.09299	1.7
327.08926	3.6
337.07373	2.9
341.22736	0.6
354.08798	1.3
355.08441	47.8
361.07422	1.4
372.09833	1.0
373.09479	29.4
391.10620	7.0
449.08914	2.1
453.30276	0.9
505.18451	3.0
517.31812	3.6
535.12726	19.1
553.13977	12.1
624.65778	0.6
715.16919	100.0
716.17200	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	714.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80025	0.9
59.01380	3.9
61.98824	100.0
85.02942	4.3
87.00873	2.2
93.03418	4.6
108.88088	0.9
109.50982	1.0
109.88903	1.0
110.35680	0.9
127.03966	2.4
161.02400	4.2
173.04517	1.1
191.05598	37.7
192.06018	1.3
207.10217	4.0
208.10677	1.1
209.11739	2.6
210.22316	1.2
246.50270	1.0
277.21664	1.4
281.24854	11.3
282.25186	5.8
288.39206	1.2
326.19650	1.1
343.70767	1.1
522.29816	1.3
583.51697	1.1
651.37915	5.2
654.31854	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	714.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39287	0.3
52.72601	0.3
61.98824	100.0
63.01486	0.3
63.66123	0.3
67.25095	0.3
77.23328	0.3
85.02933	0.5
93.03450	0.7
119.05055	0.6
121.02921	0.5
145.02931	0.7
191.05595	2.3
264.61011	0.4
272.69519	0.4
272.72534	0.4
281.24829	2.7
282.25189	1.7
305.46292	0.4
371.68527	0.4
689.14551	0.4
714.51379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
66.49609	0.3
70.43615	0.4
82.94035	0.3
85.02946	0.6
95.24150	0.4
124.78342	0.4
140.09010	0.4
147.20949	0.4
191.05637	4.6
281.24701	0.5
458.46674	0.4
498.07816	0.4
552.06409	0.5
553.17975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52276	0.1
57.14703	0.1
57.94044	0.1
59.01389	0.8
60.99307	0.3
67.01886	1.3
68.88889	0.1
69.03461	0.2
71.01371	1.2
73.02968	0.1
78.16475	0.1
81.03452	0.2
83.05039	0.2
85.02940	5.1
87.00853	2.3
93.03432	7.7
95.01370	0.2
109.02951	1.0
111.04520	1.4
115.04070	0.2
117.79362	0.1
127.03989	1.6
133.02930	0.7
135.04494	7.2
137.02409	1.0
139.94055	0.1
155.03557	0.2
161.02432	3.2
171.02988	0.6
173.04514	4.7
176.77498	0.2
179.03462	0.7
191.05595	100.0
192.05994	1.1
197.04436	0.2
261.97940	0.1
341.08856	0.2
353.08719	2.7
371.09811	31.5
372.10083	0.3
412.60605	0.2
680.08307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33416	1.3
58.13121	1.1
59.01374	46.5
63.28424	1.0
67.79572	1.1
69.03434	1.3
71.01369	29.2
72.25254	1.1
72.99298	1.7
73.02939	5.6
83.01374	5.1
85.02940	6.8
86.42754	1.1
87.00883	6.1
89.02420	21.4
90.40208	1.1
97.02922	5.1
99.00894	2.1
101.02428	18.4
106.83624	1.1
113.02425	9.9
119.03486	6.5
125.02433	7.2
143.03470	2.2
161.04483	2.1
179.05547	1.5
191.05577	1.4
221.06630	1.3
235.08185	8.2
253.09291	1.8
255.23271	100.0
256.23465	2.4
281.24738	13.4
282.29022	1.6
305.08859	1.8
397.08261	2.7
397.13501	79.5
415.14551	23.4
450.05487	1.3
467.86942	1.3
517.70044	1.3
653.37299	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	713.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51490	3.9
58.64277	3.3
59.01375	9.9
63.77337	4.0
71.01383	9.8
75.00858	10.1
78.95893	9.3
84.25977	3.9
85.02937	18.1
87.00874	7.5
95.01354	3.8
99.00909	4.8
109.06576	6.9
113.02453	9.9
113.21693	4.2
126.77681	4.4
152.99629	30.4
163.11215	4.6
176.25432	4.2
207.10263	20.4
225.11398	5.2
255.23271	77.6
279.23132	4.8
281.24734	10.2
406.23981	5.0
713.41418	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	713.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72817	0.6
59.01376	1.0
71.01369	2.2
74.02480	2.7
74.26360	0.7
85.02943	8.2
87.00867	1.1
93.03429	5.7
96.47471	0.6
98.02462	2.2
107.04247	0.7
108.02174	6.6
109.02936	20.3
111.04510	1.2
115.00342	1.2
119.88815	0.7
121.02962	1.4
122.03693	1.0
123.04541	1.0
125.25431	0.6
126.97330	0.7
127.04043	2.6
130.29805	0.7
133.02933	3.2
135.04521	7.5
137.02473	1.0
147.04515	1.1
148.05244	1.1
149.06071	3.9
161.02431	3.8
161.06079	10.6
170.60059	0.6
173.04543	1.4
177.05634	0.7
179.03467	0.8
183.42751	0.6
191.05608	100.0
192.05965	4.7
193.06020	2.5
241.05089	1.2
242.05827	22.0
243.06665	5.2
253.70148	0.7
269.08270	1.5
269.11313	1.2
271.09720	20.7
353.08856	7.0
358.16354	1.6
359.07675	21.9
359.16727	1.2
380.33966	0.7
435.05167	0.7
609.85547	0.7
713.18335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29723	0.6
58.27253	0.6
59.01378	1.7
64.30904	0.7
67.01888	0.8
71.01393	1.3
77.70865	0.7
85.02932	10.2
87.00870	3.0
87.72438	0.6
92.10838	2.3
93.03451	9.1
95.20265	0.6
107.16233	0.8
108.02199	1.6
109.02953	10.2
111.04540	1.5
115.00407	1.4
118.98087	0.8
121.02901	0.8
123.04575	0.9
127.04019	1.4
131.07069	0.8
133.02957	3.2
134.03702	0.7
135.04498	12.7
137.02399	1.1
141.23233	0.7
149.06058	2.6
155.03484	0.9
161.02451	3.5
161.06067	6.0
169.56819	0.7
173.04527	10.5
179.03476	8.2
191.05605	100.0
192.05948	4.5
193.06200	1.1
194.06285	0.9
201.01726	0.8
217.68079	0.8
224.79398	0.7
233.01582	0.7
241.05115	0.7
242.05876	13.4
243.06668	1.3
269.08371	1.0
271.09726	13.4
345.09018	3.2
353.08911	11.5
359.07639	11.8
375.06894	2.6
713.17450	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	713.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
57.35952	0.6
59.01376	4.9
71.01376	4.0
71.05024	0.8
72.71172	0.7
73.02943	1.3
83.01405	1.4
83.05005	0.9
85.02940	7.6
86.09653	0.7
87.00861	1.6
93.03449	7.1
95.05025	5.6
96.95992	88.4
99.00856	1.5
109.02953	3.9
111.04503	4.1
113.06071	6.7
114.68762	0.7
115.00365	3.0
115.03979	1.0
117.03421	2.6
118.55191	0.8
119.05022	1.7
119.48627	0.8
121.06564	1.3
123.08128	1.7
133.02866	0.9
135.04518	6.6
135.08118	0.7
137.06075	1.3
137.09726	0.8
139.07628	2.9
145.02937	16.0
149.06065	8.0
149.09718	3.1
161.02402	4.6
163.03966	1.4
163.11266	1.0
165.09070	1.1
171.11787	2.8
173.04543	1.7
175.03998	1.1
177.01912	3.1
179.03435	2.6
189.11154	1.5
189.12833	31.7
191.05594	41.4
192.05835	2.8
193.05046	1.0
201.01643	1.0
207.13893	3.1
208.78271	0.7
219.02989	3.5
219.06032	0.7
224.35973	0.7
227.07047	1.4
233.04536	1.5
237.04034	3.4
239.04671	0.8
242.56955	0.7
251.12865	22.3
265.04855	0.9
295.06284	0.9
295.11844	19.0
325.09290	4.0
337.05704	5.5
375.03387	5.6
375.07535	100.0
376.07791	1.2
452.90466	0.8
671.89197	0.9
713.16711	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	712.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66018	0.1
59.01377	2.6
59.81447	0.1
60.01707	0.2
60.72862	0.2
61.98823	100.0
63.36794	0.1
70.17836	0.1
93.61458	0.2
98.17546	0.1
108.91211	0.2
114.36392	0.2
141.22443	0.2
191.05569	0.8
192.05815	0.2
197.11781	0.7
198.12198	0.2
199.38377	0.1
209.11821	0.6
210.12134	0.3
227.12950	0.2
281.24945	0.3
301.15723	0.2
347.48636	0.1
487.34323	0.9
488.34650	2.4
489.34946	3.3
490.35168	3.4
491.92188	0.2
712.34460	0.2
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
59.01372	2.1
60.86127	0.1
61.98823	100.0
62.22499	0.1
75.79836	0.1
93.03416	0.3
93.63141	0.2
94.26894	0.2
96.96006	0.6
101.02460	0.2
113.02454	0.2
133.44167	0.2
135.04494	0.3
179.03400	0.2
191.05608	1.6
246.31970	0.2
286.12875	0.2
293.82141	0.2
436.17160	0.2
437.70926	0.2
460.35416	0.2
487.34174	0.2
488.34540	1.9
489.34943	2.3
490.35773	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	713.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14086	0.7
65.00333	0.9
71.01371	1.6
83.01393	1.3
85.02959	4.5
86.96649	0.7
87.00893	0.9
89.97565	0.7
93.03459	5.1
107.01398	3.6
108.02167	1.0
109.02931	7.3
119.05014	28.0
120.99622	1.2
121.02954	3.5
125.02436	5.2
127.03989	0.9
127.78797	0.9
132.02237	0.8
133.02940	1.5
135.04532	6.3
137.02449	1.6
145.02928	1.7
148.01701	1.8
149.02472	1.0
151.00352	12.8
151.03949	1.1
158.03802	0.7
161.02412	5.2
161.06091	0.9
163.00320	2.9
163.04060	1.4
164.01067	1.0
171.04384	0.8
173.04503	1.3
175.03998	1.9
177.01912	5.1
178.99841	6.1
179.03436	1.5
187.03990	4.4
188.01190	1.2
189.01921	3.5
190.02727	1.8
191.03790	1.2
191.05598	35.0
192.05959	1.0
199.04034	1.5
201.01961	1.2
201.05530	1.1
202.02635	1.9
211.04041	3.3
217.01221	0.9
226.02678	6.2
227.03453	5.7
228.04018	0.9
229.05005	3.8
239.03352	0.8
243.02948	19.6
253.05051	1.0
254.02173	5.2
255.02983	16.6
255.06677	1.4
256.03702	1.2
269.04495	7.9
270.05319	1.8
271.02472	85.3
272.03073	4.5
281.04572	5.4
283.02536	10.2
285.03906	1.3
297.04083	8.4
298.04785	1.5
299.01981	19.0
300.02737	100.0
301.03500	28.1
309.12320	1.4
311.02057	0.9
326.04315	27.2
327.05078	9.3
343.04630	1.5
363.08691	3.4
365.14557	1.0
391.08237	3.7
403.12891	1.7
405.06448	0.9
420.08682	4.7
463.08740	1.0
505.09885	87.2
506.10040	3.7
531.11450	19.7
669.14575	32.7
681.18634	1.5
713.21747	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	711.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.5
61.98829	100.0
62.25301	2.6
71.01382	14.6
78.95885	3.5
85.02923	3.1
87.74784	3.0
89.02429	15.2
90.30576	2.9
101.02504	3.5
125.02369	4.4
135.04514	3.1
141.72595	3.0
161.02397	19.0
162.02782	4.4
191.05606	5.7
210.18106	2.7
223.13365	18.0
223.32986	2.9
229.65630	2.8
245.88953	3.3
253.21725	4.0
256.98712	3.6
277.21698	30.5
279.23300	29.1
280.23718	3.1
281.24814	25.7
281.94250	3.8
397.13504	47.3
403.73489	3.1
415.14548	12.6
510.49130	3.2
648.36133	24.9
651.38910	3.7
711.33270	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	67.3
61.45021	4.6
61.98820	56.4
64.15759	4.6
71.01386	12.0
73.02977	4.3
73.84910	7.0
79.14407	5.6
79.57074	5.1
82.95365	6.2
88.98824	9.2
89.02445	6.2
89.77610	5.6
93.33949	5.4
97.74079	4.9
102.68457	5.3
120.80960	5.1
128.51520	5.9
163.25372	5.7
164.36189	5.1
191.05666	27.8
197.11830	23.8
209.11812	27.6
279.23224	27.7
281.24899	24.1
409.23950	5.3
445.36398	9.1
489.35794	100.0
578.70654	5.8
651.40240	6.9
711.33716	9.0
735.94940	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	712.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35479	0.5
59.01383	2.5
61.98825	100.0
67.57482	0.5
71.01338	0.7
71.89754	0.6
83.80027	0.6
89.02430	1.1
89.88903	0.5
90.25141	0.5
101.02490	0.7
101.35789	0.5
109.06520	0.6
117.03454	0.8
119.05038	1.1
120.84527	0.6
121.02960	4.6
122.03290	0.6
122.87168	0.6
133.02943	17.8
134.03705	3.3
135.04533	10.2
137.02425	1.4
145.02922	5.6
146.03329	1.1
161.02429	74.7
161.61601	0.7
163.03998	0.9
179.03455	0.7
191.05630	2.5
277.21796	2.2
278.22116	1.1
373.55966	0.7
397.13483	3.3
398.13892	1.4
487.34677	0.7
513.32733	0.6
544.94354	0.7
633.39197	0.7
634.38416	3.1
649.37506	72.1
650.37970	3.0
652.39368	5.8
712.33911	2.9
713.74689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83931	0.8
58.72212	0.6
59.01380	3.3
61.98824	100.0
77.54301	0.7
82.58291	0.8
83.04991	0.9
112.96558	0.8
121.02887	0.9
135.04524	1.3
142.80035	0.7
157.40567	0.9
181.08694	3.3
181.75479	0.7
191.05554	1.4
227.44524	0.9
247.78625	0.8
272.28802	0.8
293.21228	1.6
294.21484	1.1
487.34048	1.2
630.35400	0.9
652.78387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
60.01698	0.2
61.98825	100.0
71.01414	0.1
74.34151	0.1
77.44114	0.1
85.02939	0.2
94.10123	0.1
96.95978	0.2
122.06103	0.2
152.07191	0.2
161.02458	0.2
180.98988	0.1
191.05629	0.5
203.83824	0.2
249.04858	0.1
324.91888	0.1
345.75882	0.1
355.70578	0.1
387.17151	0.2
440.31989	0.2
470.33539	0.2
487.34241	0.7
488.34570	1.8
489.35046	2.3
490.35245	2.3
505.17773	0.2
642.26837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
63.02396	1.4
64.32819	0.3
65.00312	3.9
67.01890	0.4
71.01370	0.3
79.70157	0.4
83.01371	2.0
85.02942	1.9
87.00846	0.7
92.10168	0.4
93.03425	3.9
107.01373	9.3
108.02190	0.9
109.02940	2.3
119.01331	0.4
121.02941	5.9
125.02380	0.5
135.04486	0.8
145.02963	0.4
148.01630	0.8
149.02444	1.4
151.00348	32.9
152.01077	0.3
159.04449	0.4
161.02391	0.4
163.00374	2.5
164.01054	0.5
169.01396	2.1
173.04544	1.6
174.03259	0.4
175.03851	0.4
176.40567	0.4
178.99850	15.7
185.06079	0.5
187.03981	0.5
191.05609	15.8
192.05922	2.3
193.01335	0.5
193.06039	0.6
199.04047	0.7
201.05670	0.4
211.04002	0.7
221.04431	0.4
226.02803	0.8
227.03468	3.1
229.05096	1.7
237.79051	0.4
243.02968	8.3
245.04501	1.7
254.02153	2.0
255.02995	25.7
256.03525	0.4
271.02466	53.5
272.03104	2.0
273.04004	1.8
283.02505	1.5
299.01965	2.1
300.02740	100.0
301.03522	85.9
302.03864	0.8
343.04578	0.5
353.08716	0.4
463.02582	0.6
463.08841	12.9
463.15393	0.5
505.09888	63.9
506.10226	2.0
565.39917	0.4
667.15356	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81400	0.8
57.03449	0.9
59.01379	13.4
63.02386	1.0
65.00323	3.2
71.01389	2.0
76.55807	0.8
78.69816	0.8
79.82562	0.7
83.01382	3.5
85.02947	9.7
87.00922	1.7
93.03446	11.4
96.95975	4.9
107.01363	9.6
109.02941	4.5
111.04530	1.8
121.02930	8.3
127.03980	1.3
133.02943	1.0
135.04501	4.9
137.02422	1.1
149.02444	1.3
151.00356	47.1
161.02420	2.2
163.00381	1.9
163.04076	1.5
169.01390	3.6
173.04515	2.0
175.04131	0.9
177.01962	1.8
178.99857	21.9
179.03400	1.0
191.05609	55.1
191.07367	1.8
192.00676	1.1
192.05949	7.7
193.06108	1.1
199.03990	4.2
211.04025	1.4
215.03622	1.3
227.03465	4.3
229.01413	1.1
243.02979	12.1
245.04518	1.0
254.02242	1.2
255.03008	25.4
269.10309	1.1
271.02475	57.9
272.03195	3.2
273.03860	3.1
283.02386	1.0
299.01968	25.8
300.02744	100.0
301.03531	87.3
302.03430	1.1
352.07733	1.1
378.27347	1.0
462.07938	3.1
463.08865	29.8
505.09912	65.1
506.10724	1.2
519.13641	1.4
667.14984	22.0
711.19781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14393	0.3
53.58714	0.3
56.78463	0.3
57.03463	0.7
59.01373	4.2
60.99310	2.3
67.01895	6.3
67.02245	0.4
69.03468	0.7
71.01375	2.6
81.03472	1.6
83.05059	0.8
85.02939	4.5
87.00864	8.6
88.22813	0.3
93.03443	45.6
99.00889	0.5
102.35281	0.4
107.52684	0.3
109.02953	0.6
111.04504	8.5
113.02473	0.4
119.05029	1.6
121.02934	30.2
127.04004	0.8
129.01939	0.4
143.03522	0.4
145.02936	0.4
155.03471	2.1
166.13573	0.4
171.03047	0.4
173.03372	0.8
173.04529	40.6
181.05035	7.8
191.05602	100.0
192.05814	1.0
233.06589	2.0
254.19574	0.3
337.09308	3.1
355.10324	65.2
356.10684	0.8
441.15552	0.4
585.63806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48051	0.9
59.01384	1.5
61.98824	100.0
62.30333	1.0
64.95345	0.9
65.21336	1.0
73.37846	1.0
85.02951	1.8
94.07103	1.0
111.00959	1.1
123.29536	0.9
133.02939	9.5
135.04491	5.5
137.02362	1.3
138.05440	1.0
145.02931	1.8
161.02411	37.1
172.02853	1.2
178.02693	1.2
189.07394	1.2
191.05647	4.5
647.35834	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96136	0.3
51.82464	0.4
59.01369	2.9
61.98826	100.0
73.91306	0.4
85.02935	0.6
85.32421	0.4
140.56685	0.5
161.02292	0.4
191.05569	3.2
197.11758	0.5
487.33405	2.2
488.33862	2.7
489.36020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76982	0.1
52.82229	0.1
59.01373	1.9
61.98830	100.0
71.65449	0.2
93.40859	0.1
106.65842	0.1
154.74606	0.2
191.05647	0.2
221.46359	0.2
250.36612	0.2
319.26843	0.2
417.21158	0.2
476.34567	0.3
486.32962	1.1
487.33765	2.7
488.34213	3.4
507.81787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
61.98825	100.0
64.33227	0.3
71.01369	0.3
71.05002	0.4
75.38346	0.3
82.05668	0.3
87.02631	0.3
96.96008	0.4
106.88150	0.3
123.22157	0.3
161.02493	0.3
165.33705	0.3
191.05618	2.0
209.11801	1.3
210.12236	0.6
237.72829	0.3
442.33600	0.3
474.32990	0.6
476.34167	0.7
487.34241	2.5
488.34787	5.8
556.24243	0.3
650.26788	0.3
735.59015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01374	7.8
71.01379	5.5
75.84962	0.9
78.95885	2.2
85.02901	1.3
89.02440	1.7
94.49733	1.0
97.06593	5.5
101.02432	6.5
103.65290	1.2
113.02443	1.9
151.11278	18.0
152.99600	6.0
153.13091	0.9
161.04536	1.5
169.12334	51.8
171.00584	1.3
178.12930	1.1
195.10301	1.7
213.11334	7.0
218.26971	1.1
235.08122	1.2
255.23248	7.1
277.21701	67.2
278.22144	1.6
449.20413	2.0
691.38470	8.0
709.41577	100.0
710.41785	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	709.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.1
60.37239	0.5
60.94772	0.5
64.12405	0.6
64.95521	0.5
67.55907	0.5
71.01357	4.7
71.02291	0.6
78.95905	3.2
83.01398	0.8
87.04338	0.6
89.02438	3.9
95.05030	1.0
97.06592	2.8
101.02424	4.5
113.02441	3.2
119.03572	0.7
125.09712	0.6
151.11275	13.7
152.99605	4.4
169.12332	100.0
170.12659	0.9
188.98555	0.7
195.10204	1.2
209.11917	0.8
213.11365	10.0
225.11263	0.8
227.12735	1.2
243.16927	0.7
253.09285	1.5
255.23283	4.1
262.56281	0.7
277.18832	1.2
277.21704	23.3
431.19467	1.0
449.20358	4.3
691.38031	2.7
709.41656	75.0
710.41809	3.3
718.89941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09531	0.1
58.00583	1.4
58.32679	0.1
59.01375	38.3
60.99303	0.2
61.98829	1.5
63.61877	0.1
63.98367	0.1
64.47248	0.2
65.40099	0.1
71.01370	0.7
71.05000	0.6
72.99280	0.2
75.85192	0.2
85.02934	0.8
89.02446	0.3
93.03410	0.2
95.14908	0.2
101.02423	0.9
113.02441	0.3
122.06065	0.3
125.34003	0.2
135.04498	0.2
152.07149	0.7
182.71286	0.1
186.48763	0.2
189.01964	0.2
191.05623	1.8
243.00177	0.2
324.05429	0.2
375.30545	0.2
377.28281	0.8
393.31885	1.4
397.65091	0.2
403.29974	0.3
405.31747	0.7
407.33478	1.3
409.31253	0.2
423.32693	4.3
425.34515	2.4
427.32263	0.9
437.30795	0.2
439.32227	0.9
441.33878	2.1
443.35309	0.3
457.33377	1.1
467.31754	1.3
469.33237	9.0
470.33545	0.4
475.34308	0.3
487.34290	100.0
488.34528	3.4
501.32425	0.2
513.32202	0.3
529.35376	0.2
540.72583	0.2
649.39423	1.3
673.28101	0.6
709.41907	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	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91179	0.2
58.00602	0.3
59.01373	39.4
61.98816	3.6
63.60432	0.3
65.64053	0.3
71.01379	1.6
72.99296	0.3
83.13980	0.3
85.02959	0.6
89.02441	1.1
93.03436	0.4
95.01363	0.3
101.02433	1.5
106.49261	0.3
108.86083	0.4
109.02956	0.4
112.86598	0.4
113.02444	0.6
115.34950	0.2
116.92924	0.4
119.03504	0.6
137.02467	0.4
138.47881	0.3
141.48456	0.3
149.75166	0.3
161.04669	0.4
163.11137	0.4
191.05592	3.4
193.53519	0.3
206.02849	0.3
209.11818	1.5
218.65810	0.3
243.02911	0.3
272.95657	0.3
279.23300	0.4
379.04568	0.5
444.85007	0.3
487.34277	100.0
488.34613	3.2
529.35083	1.9
649.39374	2.1
709.41467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81561	0.3
58.00583	0.6
58.05111	0.2
58.43608	0.2
59.01376	23.7
61.55591	0.3
61.98826	2.1
70.01505	0.3
70.46616	0.3
71.01360	1.5
71.05022	0.5
73.02907	0.3
79.94207	0.3
83.05018	0.4
85.02956	0.7
89.02453	0.7
96.96031	0.4
101.02432	0.7
116.92825	3.0
124.40420	0.4
135.04501	0.5
151.87756	0.3
163.11256	0.4
171.10249	2.0
173.04636	0.3
191.05620	3.4
198.54359	0.4
199.13455	0.4
207.10254	1.9
209.11855	6.0
217.01402	0.4
225.11264	0.4
227.12907	2.7
253.09360	0.5
379.05060	0.3
430.70361	0.4
441.33752	1.3
443.35275	4.6
457.33102	0.4
475.34155	4.0
485.32892	0.6
487.34274	100.0
488.34882	3.3
501.31485	2.1
529.35297	0.4
536.75323	0.3
599.16003	0.4
649.39313	0.6
653.31958	0.5
655.33215	0.5
671.33496	1.2
709.30231	1.2
711.51331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.3
59.01375	36.0
60.61793	0.1
61.98836	0.6
71.01366	0.8
71.05003	1.5
71.79990	0.2
84.16719	0.1
85.02946	0.3
85.29734	0.2
89.02422	0.3
101.02422	0.2
122.06084	1.0
134.06117	0.2
148.23242	0.1
152.07115	1.5
161.04578	0.2
191.05585	0.4
239.11784	0.3
265.09830	0.3
265.44336	0.2
285.12457	0.7
295.10706	0.3
369.28046	0.2
377.28519	0.3
403.30240	0.3
405.31851	0.2
421.31216	0.3
423.32596	0.8
427.32211	1.7
437.30655	0.4
439.32181	0.2
443.35339	0.9
455.31897	0.2
467.31604	1.6
469.33237	11.6
470.33472	0.3
487.34293	100.0
488.34583	3.3
504.17984	0.2
550.22131	0.2
565.24744	0.6
641.26141	1.3
649.39319	1.4
673.29022	0.8
709.41449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06090	0.5
51.29240	0.5
56.25716	0.5
58.00583	0.6
62.56460	0.6
66.46987	0.6
78.95893	40.4
80.02690	0.6
81.03475	0.7
83.05018	6.7
92.10860	0.8
96.96956	4.7
125.09718	4.5
127.11285	6.6
151.46654	0.7
152.99580	66.7
155.10751	2.9
163.11320	4.8
165.09198	2.6
165.12834	3.6
171.00644	8.8
171.10297	2.8
199.09700	2.9
201.11325	80.4
209.11836	96.0
227.03204	5.4
227.12923	8.0
245.04254	2.3
253.21765	10.1
337.10388	0.7
363.12158	1.3
370.64816	0.7
381.13251	1.6
411.14328	1.5
429.15485	1.5
455.16998	13.2
471.34583	10.5
472.34946	11.0
473.17950	42.0
473.35428	6.1
474.35150	0.8
691.38361	7.6
709.39319	100.0
710.39337	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42533	1.3
58.00608	1.6
59.01382	93.1
61.65082	1.3
61.98840	10.6
71.01376	13.9
71.05030	8.9
72.99310	1.9
80.64410	1.3
83.22378	1.6
85.02962	3.0
85.06585	2.2
89.02445	14.8
93.03437	3.0
96.96023	2.0
101.02443	9.5
109.02982	2.3
113.02441	8.7
116.92860	1.7
119.03482	12.1
125.02486	1.9
134.36836	1.7
146.39017	1.6
161.04469	2.3
179.05618	9.1
189.02002	1.7
191.05579	16.6
205.15929	9.3
209.11864	26.2
227.12845	7.2
253.09348	2.3
299.24442	1.5
325.25427	2.5
393.27896	6.2
409.31055	2.8
425.34366	30.2
427.31830	3.7
439.31909	2.9
441.33698	24.0
443.35291	87.9
457.33109	11.5
469.33270	3.6
475.34280	100.0
476.34543	2.3
485.32748	7.4
486.33237	2.4
487.34320	94.2
513.32300	2.5
519.33258	3.8
529.35199	2.6
582.78021	1.8
709.31812	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	709.3929
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
57.18225	0.9
59.01383	1.7
65.71874	0.9
72.58409	1.0
73.41346	0.9
78.95892	47.1
79.95167	1.1
81.02941	0.9
81.03452	1.5
81.29640	1.0
83.05025	5.8
85.95488	1.0
96.96941	4.9
125.09704	5.4
127.11270	6.2
152.99571	75.4
155.10779	2.6
163.11263	2.6
165.09122	1.7
165.12828	1.6
171.00609	8.9
171.10239	1.9
183.10240	1.1
185.11816	1.7
187.63275	1.1
191.05591	1.4
199.09697	2.4
201.11314	93.8
209.11815	89.0
227.03178	7.3
227.12854	7.3
245.04280	2.3
253.21638	7.4
279.23175	2.2
337.10556	1.4
381.13174	2.3
411.13831	1.3
455.16882	9.6
473.17960	47.7
691.38068	9.5
709.39349	100.0
710.39783	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	709.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48526	3.3
52.99936	3.3
55.26724	3.9
59.01386	22.6
61.98832	41.0
63.93513	3.4
66.53961	4.1
71.01369	5.3
78.95879	4.3
85.02943	5.4
88.98787	7.8
89.02431	5.1
92.16959	4.1
101.02493	5.7
109.06591	8.7
113.06173	4.0
116.92841	6.1
121.79524	4.6
136.09151	4.1
148.36761	4.5
161.02464	4.2
163.11275	5.6
183.13872	23.8
191.05615	33.7
207.10240	38.1
209.11809	10.6
211.13396	100.0
225.11279	8.3
253.09201	7.2
254.85284	5.7
285.21341	4.5
350.36700	4.9
355.93005	4.6
401.23383	7.8
436.00430	5.5
461.20325	7.0
637.32922	7.0
655.33234	9.8
659.94507	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	709.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.8
59.01377	24.5
59.64963	0.7
60.00106	0.7
61.98831	0.9
71.01377	1.0
71.05025	1.8
85.02940	1.3
89.02456	0.9
92.10132	1.8
109.02926	1.0
113.02448	1.4
120.99709	0.9
135.04541	1.3
161.02519	0.9
161.06107	1.0
191.05554	7.1
220.77988	0.9
259.02383	1.8
259.54352	0.7
291.89694	0.8
379.30048	1.4
409.31351	1.4
412.61188	0.8
422.74713	0.9
427.32272	6.8
467.31522	0.9
469.33636	6.0
483.30969	7.8
487.34308	79.3
488.34415	1.6
489.32327	6.4
501.32224	100.0
607.73407	0.9
663.37634	3.5
691.22223	3.7
709.38434	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	709.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84085	0.1
56.14046	0.1
57.03449	0.3
59.01371	2.0
60.99309	0.2
67.01876	1.5
69.03448	0.3
71.01336	1.1
73.02909	0.2
77.07854	0.1
81.03456	0.7
83.01414	0.2
83.05025	0.7
85.02934	9.8
86.03277	0.2
87.00854	3.7
87.01329	0.2
92.63220	0.2
93.03432	12.5
99.00860	0.2
99.04512	0.2
109.02954	1.3
111.04520	2.5
119.04944	0.2
127.03984	2.8
129.01930	0.4
133.02919	0.2
134.03714	2.1
135.04530	0.7
137.02376	0.1
149.06038	0.9
153.01888	0.1
155.03490	0.3
161.02350	0.2
171.02979	0.9
173.04530	4.8
179.03398	0.3
191.05597	100.0
192.05943	5.9
193.06279	2.2
206.14801	0.1
211.07672	0.2
213.09190	0.3
237.09250	0.2
239.07141	2.6
253.08539	0.2
255.10216	0.7
257.08057	0.2
265.04910	0.3
281.08273	0.3
283.06076	0.8
299.09271	0.7
301.57095	0.2
353.08646	1.1
354.09070	1.0
355.09579	1.1
367.10339	4.8
388.79309	0.1
438.27921	0.2
517.13483	5.2
535.14331	0.2
709.19867	14.1
710.19543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17396	0.4
54.82080	0.6
57.03464	0.8
59.01384	6.1
60.99321	0.7
63.96170	0.4
64.33818	0.7
65.64263	0.5
67.01897	4.2
70.23360	0.4
71.01376	4.2
81.03451	1.0
83.05052	0.9
85.02940	7.7
87.00876	1.1
93.03439	30.0
94.03783	0.6
96.96018	2.7
103.37138	0.5
109.02943	1.0
111.04515	5.4
113.02421	0.8
117.62460	0.5
119.05016	3.5
121.02935	36.2
127.04009	2.6
133.02965	2.1
135.04486	6.0
137.02406	5.2
137.91624	0.5
150.56592	0.6
155.03519	5.2
161.02435	1.3
163.03961	0.6
173.04527	100.0
174.04790	0.7
179.03496	3.2
181.05051	13.6
191.05602	74.8
192.05933	7.7
193.05989	3.8
237.49429	0.6
284.09634	0.6
327.32095	0.5
351.07382	0.7
352.07642	0.7
353.08762	8.9
354.09183	1.0
355.06122	1.0
355.10342	22.3
448.80429	0.6
684.29565	0.7
699.20233	0.6
709.19592	0.9
717.78406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
60.10997	0.1
60.59612	0.2
60.99307	0.3
64.32917	0.2
67.01896	0.9
69.03457	0.3
71.01382	1.2
73.02937	0.2
81.03459	0.4
83.05028	0.2
84.62592	0.2
85.02938	10.3
87.00859	3.5
92.10075	0.4
93.03439	9.4
96.95988	2.3
98.07534	0.2
99.04496	0.3
109.02934	2.3
111.00916	0.3
111.04497	2.4
116.78349	0.2
127.03992	2.6
135.04520	0.7
137.02510	0.2
155.03502	0.8
171.02948	0.4
173.04524	4.8
191.05598	100.0
192.05951	0.8
198.06747	0.2
211.07701	0.4
212.08293	0.3
213.09248	1.8
227.10748	0.2
229.12297	0.2
233.06718	0.3
237.09296	0.4
239.07123	3.9
255.10236	2.3
257.08197	0.2
281.08163	0.4
299.09149	1.8
343.08203	0.2
362.77057	0.2
396.66879	0.2
433.26807	0.2
473.14676	0.2
517.13495	9.4
535.14233	0.2
546.90656	0.2
649.91388	0.2
709.19830	16.8
710.20007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40133	0.4
54.81407	0.5
59.01374	3.0
61.98823	100.0
77.21661	0.5
78.95891	0.7
85.02902	0.5
87.00883	0.5
92.63536	0.5
93.03399	0.6
104.98833	0.4
113.02378	0.5
138.15451	0.5
187.92583	0.5
191.05621	4.3
192.05920	0.8
207.10289	0.5
299.00455	0.5
358.20163	0.5
405.31775	0.6
485.32983	0.7
486.33566	1.7
623.60596	0.5
672.33777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35619	0.2
55.79703	0.1
59.01377	2.2
60.99306	0.4
61.37461	0.2
62.18827	0.2
63.77635	0.2
64.42587	0.2
65.83162	0.2
67.01875	1.6
69.03440	0.2
71.01026	0.2
71.01357	1.3
73.02941	0.3
74.24751	0.2
75.68520	0.2
81.03445	0.4
83.05053	0.3
85.02938	12.4
85.71729	0.2
87.00861	4.3
87.51197	0.2
93.03437	12.3
99.00894	0.3
99.04482	0.3
101.02463	0.2
109.02953	2.2
111.04504	2.8
113.02413	0.2
115.25924	0.2
115.26719	0.2
119.83096	0.2
123.47364	0.2
126.25427	0.2
127.03996	3.5
135.04517	1.1
137.02473	0.2
142.63229	0.2
143.03419	0.2
155.03482	0.8
156.89679	0.2
171.02992	0.9
173.04526	5.0
185.05977	0.3
187.07652	0.2
191.05602	100.0
192.05923	1.2
193.06085	0.3
199.07613	0.3
211.07678	1.0
212.08344	0.4
213.09164	1.8
237.09235	0.8
239.01198	0.2
239.07144	4.7
253.08675	0.3
255.10272	3.4
281.08249	0.4
283.27762	0.2
299.09296	1.5
299.32779	0.2
462.53287	0.2
462.63602	0.2
463.66705	0.2
473.14252	0.3
517.13470	11.6
518.13995	0.3
535.13580	0.2
566.89880	0.3
709.19873	16.8
710.19769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22103	0.8
53.99099	0.7
57.03450	1.2
58.00599	6.1
59.01374	86.9
60.99302	6.0
61.98821	1.4
71.01365	10.9
71.05009	14.4
71.05327	0.9
72.99300	1.5
73.02946	1.0
80.96514	4.0
81.88107	0.8
83.01356	0.9
83.05038	1.4
85.02929	7.3
85.06584	1.9
87.00862	1.4
88.98785	17.6
89.02415	11.4
93.03437	3.7
97.06589	3.2
101.02445	8.7
110.22555	1.0
112.24413	0.8
113.02442	5.3
119.03481	5.5
123.08160	1.3
135.04515	3.6
151.00371	2.1
161.04491	1.6
179.05565	3.9
181.52011	0.9
183.13846	1.2
183.77225	1.0
191.05605	19.8
192.05954	1.2
197.11848	0.9
207.10190	1.9
209.11870	3.3
225.00569	1.1
227.12775	1.1
262.95273	0.9
282.99289	0.8
287.05447	1.0
305.21289	1.0
321.22437	6.0
323.23764	1.0
325.21652	1.7
339.05096	1.1
339.23163	1.2
353.24802	1.8
355.26459	8.4
367.26309	5.0
369.27991	1.3
389.26831	7.1
390.13596	0.9
395.29465	1.5
401.26865	4.5
409.27127	1.5
413.27155	0.9
421.31210	1.3
423.32709	3.4
425.30682	3.2
428.22797	1.1
429.30002	3.4
437.30945	6.0
439.32236	17.3
441.10532	1.1
441.33740	48.7
455.31723	22.7
457.33789	1.2
473.32697	100.0
474.33102	3.0
483.31174	5.9
485.32632	13.5
491.33798	20.0
499.34525	0.9
517.31738	17.5
518.32019	1.5
527.33966	1.9
617.22583	1.5
635.30664	1.7
671.32965	3.0
707.18115	2.8
707.29639	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	707.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92502	0.5
57.03440	0.6
58.00582	0.8
59.01374	56.4
61.98560	0.7
61.98826	11.9
67.01877	1.2
71.01359	5.2
75.50678	0.5
83.01365	0.7
83.04997	0.7
85.02934	5.7
87.00838	3.6
89.02412	1.1
92.10151	1.3
93.03452	8.1
96.95989	1.0
101.02396	2.3
101.73600	0.5
109.02927	2.4
111.04462	0.9
113.02412	3.4
114.79123	0.6
119.03487	1.1
121.02875	0.8
127.03974	0.8
133.02904	0.9
134.03770	0.6
135.04518	15.7
137.02437	6.4
151.00395	4.1
161.02367	3.5
173.04585	2.1
179.03444	3.1
191.05615	46.1
192.05891	2.9
236.36731	0.5
242.05782	0.7
243.06442	0.6
248.04837	0.6
253.14684	0.6
267.06256	0.7
296.05902	1.0
309.03836	1.1
339.05304	1.5
340.05252	2.4
341.05719	2.8
352.07693	0.9
353.08395	2.2
395.29730	4.2
409.30908	3.1
423.32462	3.8
425.25699	0.7
439.27933	1.2
441.33954	12.8
443.31848	1.2
453.29507	0.7
467.30963	0.7
473.31863	0.7
485.32721	100.0
486.33044	3.1
513.10449	0.9
514.10608	1.3
515.11169	5.1
515.22571	0.7
527.33459	1.0
647.37463	2.3
707.18207	5.6
707.29346	2.2
707.39966	1.3
708.18066	0.8
708.30341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81377	1.1
57.03468	2.2
59.01382	49.0
61.98828	19.9
64.81294	1.2
69.46254	1.0
71.01377	19.3
71.05032	2.7
73.02927	1.4
78.95918	1.2
83.01379	2.1
85.02938	15.9
87.00857	1.7
89.02422	16.3
92.10723	1.3
93.03458	6.9
101.02429	13.0
113.02418	9.9
119.03465	4.6
124.76775	1.1
173.04515	1.9
191.05598	26.6
192.05963	1.5
207.10249	6.5
209.11803	1.7
225.11310	4.9
288.24170	1.3
306.79636	1.3
405.88174	1.3
421.31238	2.0
423.32718	6.8
425.30423	1.5
439.32071	7.2
441.33676	12.8
447.42465	1.3
465.30057	5.5
467.32120	1.5
473.32721	26.8
485.33005	12.0
515.11017	2.1
647.38049	100.0
648.38647	2.3
651.29999	2.5
707.17987	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	30.3
61.98827	18.2
71.01379	4.7
71.05012	0.8
74.41204	0.6
78.95872	0.9
79.44682	0.5
81.20957	0.5
85.02962	2.7
88.98795	0.6
89.02441	2.4
93.03470	2.7
101.02445	1.2
109.06596	1.0
112.56407	0.6
113.02441	2.4
119.03460	1.3
135.04501	0.7
138.40932	0.6
163.11232	0.6
183.13783	0.6
191.05589	8.7
202.64526	0.6
207.10240	6.7
225.11278	2.8
281.30304	0.5
282.86136	0.6
339.05014	0.9
379.30106	0.7
409.30786	0.7
411.32507	1.0
437.30206	0.9
439.32187	2.7
441.33710	5.6
455.31622	26.3
472.32147	0.8
473.32440	6.5
485.32727	100.0
486.33090	4.8
515.10846	0.9
598.99030	0.6
651.29858	3.0
669.31378	2.4
671.32312	1.0
707.17719	1.2
707.28442	1.2
707.39697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	24.1
61.98822	0.2
69.60387	0.2
71.01361	0.3
71.04999	1.5
75.64145	0.2
76.15485	0.2
83.05000	0.2
89.02423	0.4
89.45666	0.2
92.10077	0.4
101.02425	0.5
112.03558	0.2
138.19614	0.2
140.15314	0.2
171.59216	0.2
191.05499	0.3
209.11923	0.2
214.38637	0.2
219.50702	0.2
227.21666	0.2
242.76660	0.2
393.31805	0.3
405.32025	0.2
407.29803	0.4
423.32797	1.7
425.30411	1.8
437.30438	1.0
441.33496	1.6
455.31564	0.4
465.30078	0.3
467.31665	12.5
468.32303	0.4
473.32605	0.4
485.32721	100.0
486.32990	5.0
557.50067	0.2
647.38110	1.4
707.40411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44431	0.7
55.49421	0.7
57.03453	1.0
58.00606	0.9
59.01385	61.3
59.49923	0.7
60.22182	0.8
61.98829	2.2
67.01887	1.3
67.86816	0.7
69.03446	1.0
71.01387	5.8
72.99259	0.9
76.32098	0.7
83.05031	1.7
85.02470	1.2
85.02947	11.5
87.00861	3.4
87.11274	0.8
89.02436	1.9
93.03449	13.6
95.01380	1.1
96.96001	5.3
99.00841	1.4
100.93351	0.8
101.02424	4.6
109.02919	3.5
111.04492	3.2
113.02446	1.7
115.00344	1.2
115.92072	2.1
116.92857	7.5
119.03464	1.3
127.03989	4.0
133.02933	3.2
135.04509	8.2
137.02414	1.3
152.07126	1.7
153.01895	1.0
161.02419	5.9
173.04526	6.3
173.05902	0.8
179.03510	2.1
185.11932	1.2
191.05611	86.2
192.06015	6.9
218.15585	0.9
285.04092	1.3
293.04614	1.1
323.05157	1.1
339.05280	6.4
340.05283	4.2
341.05652	5.0
353.08743	4.6
363.26956	1.3
393.27872	4.9
395.29559	4.1
401.91824	1.0
409.31110	8.8
439.31952	3.8
441.34134	1.1
453.29944	2.0
461.11331	1.0
485.32739	100.0
486.32953	4.4
499.30847	4.7
514.10748	2.0
515.10925	8.0
545.35101	6.8
553.57922	1.0
647.37457	1.7
656.89429	1.1
707.17847	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	707.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82348	2.9
55.24511	2.6
55.27336	2.7
57.03460	2.6
59.01376	36.4
61.98826	32.7
71.01385	6.9
71.05027	7.5
75.57612	2.7
86.15103	2.9
87.00922	4.7
89.02436	6.8
93.03447	7.0
96.96012	6.7
101.85030	3.4
108.85493	3.3
133.02948	3.8
137.60931	3.1
145.01862	2.7
161.02412	3.0
173.04550	3.2
191.05624	63.7
192.05904	5.0
207.10255	15.5
209.11896	17.6
225.11317	11.6
227.12914	3.9
339.04971	4.8
461.20447	3.6
485.32703	100.0
515.10846	5.3
635.31030	6.8
653.31726	14.5
669.32220	3.7
671.33008	5.3
707.17676	6.6
707.30304	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33433	0.4
55.01888	3.0
57.03450	1.0
58.00603	0.9
59.01375	61.3
61.98851	0.7
69.03458	2.4
71.01367	34.5
72.99310	2.2
73.02921	6.5
73.26321	0.6
81.03439	1.2
82.95421	2.2
83.01372	4.3
83.05022	1.8
84.17224	0.5
85.02932	9.4
87.00850	7.3
89.02421	38.4
91.04012	0.7
92.10847	1.0
93.03482	0.8
93.53360	0.5
94.20647	0.6
95.01397	2.4
96.15039	0.6
97.02931	6.2
99.00879	2.8
101.02415	27.6
109.02921	0.8
111.04497	0.9
113.02435	12.8
115.03992	0.7
117.03434	6.9
119.03461	9.5
119.04082	0.5
119.04991	2.1
121.02899	0.9
123.04476	0.6
125.02409	11.2
129.85384	0.5
133.05112	1.0
139.03940	0.9
143.03456	4.6
145.02928	30.4
149.04567	0.7
154.34235	0.5
161.04521	4.0
163.03979	2.1
177.16331	0.6
179.05583	4.2
182.39041	0.5
185.77457	0.5
191.05606	6.3
205.19647	0.7
217.07169	0.6
221.06682	2.7
231.17564	1.1
235.08205	9.1
249.18565	93.1
250.19193	0.8
253.09265	2.1
263.07706	1.0
287.07748	2.4
305.08685	3.3
323.09839	0.8
397.13489	100.0
398.13837	0.8
406.60510	0.5
415.14569	34.0
647.35577	14.5
648.35999	0.6
707.18451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.3
59.01376	28.5
61.98832	2.7
62.59484	0.2
69.86333	0.2
71.01376	1.8
71.04993	0.3
73.02935	0.5
74.01016	0.3
85.02950	1.5
87.00860	0.5
89.02436	0.7
92.10816	0.9
93.03453	1.6
101.02419	1.5
109.02943	0.3
113.02435	0.7
116.92838	0.6
119.03503	0.5
144.33936	0.3
163.11278	0.4
168.92676	0.3
171.10257	0.5
183.13866	1.4
191.05612	6.1
207.10237	1.2
209.11882	2.5
225.11301	0.6
227.12929	0.5
345.01300	0.3
375.30551	0.4
377.28357	3.3
391.26126	0.5
393.31696	5.4
403.30069	1.5
405.31503	1.3
407.29489	1.8
419.29535	0.4
421.31384	2.2
423.26859	0.5
423.32709	15.9
425.30786	0.4
437.30692	2.3
439.32233	4.3
441.33728	1.2
455.31747	4.0
463.21570	0.3
465.30334	0.4
467.31659	4.6
485.32730	100.0
486.32901	3.6
515.10986	1.2
647.38092	1.8
653.31207	0.4
671.32593	0.5
707.18665	0.5
707.29486	0.6
707.40320	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	707.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37972	1.2
58.85173	1.3
59.01381	43.0
61.98832	7.6
68.49864	1.0
69.66145	1.3
71.01380	7.1
74.27785	1.4
79.69995	1.1
83.05022	2.2
85.02937	3.1
87.00848	2.4
88.07032	1.5
89.02426	2.9
93.03439	8.7
95.04966	1.2
96.95985	2.8
97.02909	2.0
97.43443	1.3
99.63783	1.3
101.02427	2.6
102.49062	1.2
103.02708	1.1
109.02891	1.7
109.06583	7.9
121.02940	1.8
135.04466	1.8
151.29610	1.4
159.69746	1.4
161.02524	1.4
163.11235	5.7
165.01898	1.5
173.04433	2.7
185.11723	1.5
191.05605	38.8
192.05946	2.0
207.10266	24.6
209.11812	41.6
210.12068	1.5
225.11253	14.4
227.12914	10.1
235.08223	2.3
244.44353	1.4
246.41553	1.2
253.09308	4.9
267.06464	1.6
339.05106	2.3
340.05603	1.6
341.05606	2.3
399.21616	1.9
400.06641	1.4
417.22598	1.6
420.55475	1.4
461.20651	4.9
485.32730	100.0
501.32120	16.1
508.92163	1.4
515.11102	3.0
635.30743	12.8
653.31628	15.5
671.32764	22.7
707.17816	6.6
707.30475	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14883	0.2
57.03465	0.3
59.01381	1.4
60.99310	0.6
67.01883	1.8
69.03464	0.4
71.01374	1.8
71.99574	0.2
72.91679	0.2
73.02937	0.3
80.96529	0.2
81.03454	1.0
83.05027	0.5
85.02944	8.9
85.03419	0.4
87.00868	5.2
93.03443	13.7
93.04040	0.4
94.03848	0.2
99.04534	0.3
109.02948	1.6
111.04502	2.4
121.02959	0.9
127.03989	2.7
133.02953	1.3
135.04517	3.5
137.02440	0.5
139.04013	0.3
149.02452	0.3
155.03477	1.1
159.04448	0.4
161.02429	3.3
162.02776	0.3
173.04529	6.6
174.02864	0.3
175.04066	0.4
177.01964	0.3
179.03432	1.6
191.05603	100.0
192.05954	2.5
193.06177	0.3
197.04495	0.3
211.07578	2.0
229.01425	0.2
229.04965	0.3
237.05402	0.4
242.05862	0.5
243.06551	0.4
249.05779	0.3
251.07138	0.4
253.08727	1.9
255.06543	2.7
265.28366	0.2
267.06577	0.4
268.06915	0.3
271.09738	0.3
277.04892	0.3
279.06680	0.4
281.04437	0.3
293.04517	0.4
294.05228	0.4
295.06274	0.4
296.06628	0.3
297.07452	1.0
299.05560	0.4
310.78943	0.3
321.03952	0.6
323.05655	3.1
339.05133	1.0
340.05402	1.9
341.05768	1.1
353.08853	14.4
471.12738	0.4
473.11215	0.4
513.10321	0.5
514.10675	1.5
515.11456	5.4
527.12189	0.4
545.15045	1.1
647.16211	1.5
676.50262	0.3
707.18127	5.6
721.93530	0.3
732.54407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49852	0.2
59.01391	0.7
63.01895	0.3
68.63438	0.2
71.01389	0.5
78.48598	0.3
79.95732	1.7
85.02940	4.7
87.00860	1.2
88.00635	0.3
88.36123	0.3
92.63451	0.3
93.03433	3.7
96.95990	72.0
109.02961	0.5
111.04480	0.7
127.03961	0.6
135.04482	0.7
154.77908	0.3
155.09169	0.3
161.02397	0.6
171.02867	0.3
173.04553	1.7
174.03246	0.4
191.05597	30.0
192.06003	0.4
221.06120	0.5
222.06892	2.6
237.05530	2.5
238.06277	1.9
242.05875	0.5
249.05521	3.1
250.06261	3.5
251.03548	0.4
251.07059	0.3
265.05093	4.9
266.05795	11.4
271.02405	0.5
277.05011	1.3
292.03702	0.4
293.04544	7.1
294.05322	19.8
300.02747	2.1
307.06134	1.2
308.06961	0.5
309.07761	1.1
310.04889	0.7
325.06683	0.4
338.04321	13.7
339.04962	1.4
341.05807	0.5
353.06653	100.0
354.07037	1.9
515.11877	19.6
570.87103	0.4
609.14856	1.1
707.18250	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04807	0.1
54.81769	0.1
57.03441	0.1
58.51752	0.1
59.01373	0.8
67.01887	0.2
69.23666	0.1
71.01368	0.6
73.02951	0.1
81.03454	0.2
83.05029	0.2
85.02935	6.7
87.00854	1.4
88.81883	0.1
93.03430	2.6
99.00867	0.1
99.04533	0.1
109.02956	0.6
111.04500	0.8
127.03986	2.0
133.02917	0.9
134.03249	0.1
135.04477	1.3
145.05060	0.2
161.02388	1.6
171.02954	0.5
173.04546	1.1
179.03473	0.5
191.05598	100.0
241.53120	0.1
244.36327	0.1
352.07913	0.1
353.08762	10.5
393.21790	0.1
458.47861	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	707.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81570	0.1
56.10681	0.2
57.03450	0.1
59.01368	1.4
59.35393	0.1
60.99315	0.3
63.41204	0.2
67.01887	0.9
69.03445	0.2
71.01046	0.2
71.01363	1.6
71.19149	0.1
81.03461	0.4
83.05020	0.3
85.02940	9.5
87.00853	4.4
87.01325	0.2
90.70986	0.2
91.28699	0.2
93.03442	10.3
99.00874	0.4
99.04485	0.2
99.60207	0.2
101.02491	0.2
106.94560	0.2
108.02158	0.4
109.02945	2.6
111.00848	0.2
111.04510	2.4
115.00356	1.6
117.01910	0.3
121.02953	0.4
127.03988	2.5
128.23927	0.2
129.01927	0.3
133.02988	1.3
134.03769	0.2
135.04507	2.5
137.02525	0.2
143.03539	0.2
149.06036	0.3
153.01991	0.2
155.03514	0.4
157.14180	0.2
159.04454	0.3
161.02437	4.4
161.06108	0.7
171.03011	0.7
173.04520	6.5
174.03090	0.2
179.03430	1.6
184.13077	0.2
187.03986	0.7
189.22969	0.2
191.05606	100.0
192.05971	1.5
199.40974	0.2
219.03052	0.2
229.01271	1.3
230.01782	0.7
231.02061	0.4
241.05064	1.1
242.05862	2.9
243.06572	3.1
253.05084	0.2
267.06454	0.3
271.09659	1.5
277.04901	0.2
279.06543	0.3
281.04572	0.3
282.05215	0.2
289.05685	1.1
293.04623	0.3
294.40967	0.2
295.06009	0.4
297.07730	1.7
297.21854	0.2
305.04407	0.2
321.04089	0.3
322.04407	0.2
323.05435	1.7
339.05179	0.7
341.06042	0.3
353.08771	3.0
463.11182	0.8
513.10388	0.2
514.10602	0.7
515.11639	2.3
533.13129	0.8
603.91125	0.2
688.03137	0.2
707.18353	25.1
708.18237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62846	0.1
51.71431	0.1
53.60078	0.1
54.81307	0.1
57.94844	0.1
59.01373	0.7
67.01896	0.2
71.01381	0.4
81.03407	0.1
83.05022	0.1
85.02937	6.6
87.00859	1.5
93.03444	2.4
99.04512	0.2
107.84039	0.1
109.02950	0.5
111.04474	0.9
113.02448	0.1
127.03993	1.9
133.02956	0.7
134.76866	0.1
135.04533	0.8
137.02397	0.2
155.03444	0.1
161.02417	1.6
171.02992	0.5
173.04517	1.2
179.03474	0.5
188.03763	0.1
191.05597	100.0
192.05902	0.9
323.79578	0.1
353.08759	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	707.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07589	0.1
58.48633	0.1
59.01379	0.8
67.01890	0.2
71.01378	0.5
73.02908	0.2
75.38187	0.1
76.86053	0.1
78.41537	0.1
81.03499	0.2
83.05025	0.2
85.02943	6.1
87.00867	1.0
92.10187	0.2
93.03445	2.5
99.04506	0.2
109.02955	0.3
111.04534	0.7
127.04003	1.6
133.02963	0.6
135.04547	0.2
161.02419	2.7
171.02954	0.3
173.04521	1.5
179.03395	0.6
191.05608	100.0
192.05969	1.2
193.53291	0.2
342.70203	0.2
353.08771	13.7
361.06152	0.1
444.59772	0.2
515.10956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56196	0.1
59.01382	0.8
67.01900	0.2
70.02914	0.1
71.01381	0.5
73.02943	0.1
79.49931	0.1
81.03478	0.1
82.06581	0.1
82.07051	0.1
85.02937	6.7
87.00845	1.4
93.03439	2.7
99.04501	0.2
109.02924	0.5
111.04494	0.8
122.69639	0.1
127.04002	1.8
129.01964	0.1
133.02943	1.0
135.04504	1.0
161.02423	1.8
171.02994	0.6
173.04482	1.4
179.03444	0.5
179.25929	0.1
191.05603	100.0
192.05962	0.5
248.07095	0.1
322.39636	0.1
351.07477	0.2
353.08780	9.4
354.09250	0.5
365.58371	0.1
576.54901	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	707.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
67.01883	0.7
71.01395	0.2
79.95728	2.6
83.05025	0.2
85.02941	1.8
87.00864	1.0
88.36184	0.1
92.10140	0.3
93.03445	3.4
96.95998	100.0
107.42302	0.1
109.02957	0.3
111.04514	0.6
121.02953	0.2
127.04011	0.2
133.02936	0.3
135.03545	0.2
135.04527	1.0
151.00323	0.2
161.02441	1.7
162.02782	0.2
173.04530	1.4
179.03459	0.6
181.75175	0.1
191.05603	16.3
192.06020	0.3
193.05968	0.2
195.47714	0.2
249.05548	0.1
255.02971	0.3
262.05124	0.1
265.05008	0.2
266.05743	0.7
271.02557	1.0
294.05368	0.6
296.72604	0.2
300.02710	1.6
301.03433	0.3
338.04419	0.7
339.04987	0.2
340.05490	0.3
341.06195	0.7
351.07065	0.2
353.06091	3.4
445.13461	0.2
457.39737	0.2
514.10754	0.3
515.11536	2.5
609.14587	1.2
707.18311	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	707.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07833	0.1
56.79766	0.1
57.03434	0.1
59.01373	0.5
67.01878	0.2
71.01371	0.7
74.47442	0.1
76.89673	0.1
79.95724	2.3
82.08269	0.1
83.05053	0.2
85.02936	3.2
85.94663	0.1
85.95264	0.1
87.00860	0.9
87.92892	0.1
90.93923	0.1
93.03441	2.7
93.83239	0.2
96.95990	100.0
109.02923	0.3
111.04517	0.3
113.98362	0.2
121.02902	0.3
127.03940	0.3
133.02887	0.2
135.04472	0.7
161.02405	0.9
173.04533	0.8
174.03151	0.2
191.05600	17.0
192.05925	0.6
193.06128	0.2
221.05989	0.3
222.06812	0.8
237.05492	1.5
238.06389	1.0
243.02907	0.2
249.05519	1.3
250.06291	1.7
252.04262	0.3
255.02956	0.6
260.75397	0.2
265.05035	2.8
266.05811	5.3
271.02496	1.2
276.04291	0.2
277.04993	0.2
279.06561	0.2
292.03754	0.3
293.04572	3.3
294.05334	9.6
295.05826	0.2
300.02740	1.9
301.03519	0.8
307.06033	0.8
308.06796	0.2
309.07602	0.7
310.04755	0.7
322.03754	0.2
323.05399	0.2
338.04346	6.6
339.04971	0.7
340.05478	0.3
341.06079	0.3
353.06653	48.1
354.06973	0.3
402.88489	0.2
487.51767	0.2
514.10779	0.8
515.11853	9.2
609.14905	1.4
707.17847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13280	1.3
51.99810	1.1
54.12468	1.0
59.01385	43.3
61.98832	23.5
64.33237	1.3
71.01391	7.3
71.05011	14.0
77.16948	1.3
81.50833	1.6
85.02953	9.0
85.03416	1.4
87.00885	6.7
89.02437	2.3
90.92849	1.4
93.02937	1.3
93.03446	11.1
101.01041	1.3
101.02415	2.2
109.02927	2.6
111.04538	2.6
113.02457	1.7
121.02942	1.6
133.02876	2.1
161.02411	5.2
172.19719	1.5
173.04546	2.3
190.24030	1.5
191.05611	43.2
193.06509	1.9
193.90331	1.4
197.11819	2.0
207.10225	1.6
209.11708	1.9
210.12125	1.8
217.01784	1.5
221.06187	1.8
223.07593	2.8
227.70026	1.6
229.01329	12.4
237.05705	1.8
239.07065	1.9
251.07115	2.3
265.05115	2.1
267.06598	8.2
277.05014	3.6
293.04456	3.4
295.06076	14.0
303.19751	2.9
311.05548	2.0
321.03995	11.2
339.05112	45.0
353.24893	2.6
409.31125	8.9
421.31412	1.9
423.28989	7.1
435.28979	5.8
437.30579	8.5
439.32144	40.8
453.30048	23.1
471.31152	100.0
472.31491	1.8
483.31134	16.6
513.10364	60.6
514.10748	2.4
515.30347	5.5
651.30060	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	706.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
59.01376	1.7
61.81057	0.2
61.98826	100.0
71.01370	0.8
71.68614	0.1
73.02932	0.2
79.78767	0.1
80.02651	0.2
81.03460	0.2
83.05027	1.0
83.06512	0.2
84.67345	0.2
85.02935	0.6
87.00854	0.6
89.02441	0.8
93.03434	0.6
101.02410	0.6
112.17648	0.1
113.02412	0.6
138.35011	0.1
141.99628	0.1
151.82391	0.2
154.16209	0.1
163.11226	0.8
164.11548	0.2
165.12781	1.2
166.13133	0.7
183.13881	9.7
184.14207	3.5
191.05620	2.3
192.05878	0.2
197.11752	0.9
198.12227	0.3
207.10243	0.2
209.11852	9.5
210.12181	3.8
211.12306	0.2
227.12874	1.2
228.13293	0.3
251.07094	0.2
253.09251	0.3
254.09648	0.2
259.00165	0.2
268.06894	0.2
273.36655	0.2
295.05969	0.2
339.05051	0.9
340.05569	1.1
367.99612	0.2
484.31665	0.6
485.32712	2.3
513.10297	0.8
514.10681	2.3
520.58716	0.2
522.57922	0.2
673.34607	3.0
674.34778	9.2
706.16974	0.2
706.37073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53467	2.6
54.45034	2.3
59.01387	11.1
59.94142	2.3
71.05025	2.9
72.17857	2.3
78.95889	90.1
83.04938	2.9
96.96947	4.2
97.63548	2.4
102.45881	2.4
131.76778	2.8
152.99573	100.0
153.00818	3.3
171.00650	11.8
179.10751	10.4
197.11844	80.0
241.10826	52.1
377.10382	5.0
451.13779	11.2
463.28772	3.4
469.14688	29.6
513.10413	3.2
620.87292	3.0
702.22205	3.5
705.36224	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78890	0.2
57.03466	0.3
58.00584	0.2
59.01380	3.5
60.99312	0.4
61.61192	0.2
67.01926	0.3
69.03465	0.2
71.01376	3.0
73.02954	0.3
77.36744	0.2
80.02672	1.6
81.03461	1.2
83.01385	0.3
83.05026	5.5
84.02160	1.1
84.03641	0.2
85.02954	2.0
87.00874	0.5
88.98791	3.3
89.02435	1.6
91.06496	0.2
93.03439	2.4
95.04990	0.9
98.91331	0.2
101.02434	2.1
103.96064	0.2
109.02960	1.0
109.06592	0.3
111.04512	0.9
113.02470	1.3
119.03468	0.3
125.06070	0.8
125.09715	0.3
127.03981	0.3
133.02899	0.3
135.04524	0.8
135.08162	0.8
151.00325	0.9
161.02431	1.5
161.04541	0.8
163.11253	5.1
165.12822	2.7
171.10243	0.8
173.04636	0.3
179.05666	0.2
181.12270	0.5
188.87271	0.2
191.05600	9.3
191.10788	1.4
193.06418	0.3
195.08223	0.4
201.11285	0.3
207.10341	0.3
209.11819	100.0
210.12183	1.2
223.07585	0.5
225.11308	0.3
227.12863	11.2
229.01459	2.0
235.08171	1.3
239.07095	0.3
241.98671	0.2
247.13414	0.3
249.05627	0.4
251.07199	0.4
253.09293	5.8
259.15451	0.3
265.05096	0.4
267.06522	1.7
277.04980	0.5
287.05505	0.2
293.04462	0.5
295.06250	1.4
311.05688	0.3
321.03882	2.0
339.05057	9.1
340.05371	0.5
381.38086	0.3
393.27975	0.3
407.29645	0.4
430.01904	0.2
445.20853	1.0
483.31024	2.8
513.10370	10.8
514.10699	0.9
637.32361	0.7
705.16492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08669	2.6
56.36146	2.8
59.01384	14.3
61.98825	24.8
63.73721	2.5
68.25642	2.4
70.31641	2.7
71.01375	4.5
83.05022	4.5
85.02950	14.3
87.00871	6.3
93.03454	17.5
96.96059	3.6
103.94968	2.5
109.02940	3.7
128.90128	3.6
133.02946	2.8
135.04500	3.6
161.02579	3.7
173.04590	2.7
174.28711	3.5
182.71359	2.8
185.40750	3.1
187.01283	2.7
191.05606	53.6
207.10194	4.3
209.11824	100.0
223.13373	46.4
227.12839	15.5
229.01459	20.1
239.07072	3.5
251.07199	4.5
253.09236	6.9
257.32535	3.0
267.06662	5.8
293.04602	4.2
295.06125	12.6
321.04025	11.0
339.05154	45.8
340.05331	4.1
445.20581	5.5
483.31116	16.9
513.10321	66.3
668.75116	3.4
669.34741	3.7
705.32269	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
63.02386	2.2
65.00317	9.7
71.45090	0.2
81.03439	0.3
83.01376	4.9
85.02950	1.3
87.00856	1.0
92.10851	0.5
93.03446	2.3
104.21220	0.3
107.01379	20.2
108.01673	0.3
109.02940	2.8
122.85819	0.3
125.02418	4.1
127.03947	0.4
133.02924	2.0
134.03485	0.3
135.04506	100.0
136.04865	1.1
149.06168	0.3
151.00354	90.5
152.00702	0.6
159.04443	0.4
161.02382	2.6
165.01935	1.1
169.01410	1.6
173.04543	0.5
177.01924	0.4
191.05597	8.6
223.07875	0.4
225.05537	0.3
229.01443	1.5
237.05627	0.5
249.05647	0.5
251.07123	1.1
265.05176	0.3
267.06671	1.5
268.70023	0.3
269.04608	0.6
277.05017	0.5
285.04010	7.8
286.04416	7.1
287.05615	55.2
288.05869	0.6
293.04575	1.3
295.06180	1.6
311.05652	0.5
321.04047	1.6
339.05090	9.7
340.05719	0.3
513.10394	10.7
514.11090	0.5
552.76678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
58.84823	0.3
59.01376	3.5
60.99305	1.4
66.03722	0.3
67.01884	4.9
69.03452	1.3
71.01369	2.8
73.02950	0.6
73.20816	0.3
81.03459	1.6
83.05027	1.5
83.62145	0.3
84.12714	0.3
85.02936	14.1
85.03411	0.6
87.00853	12.9
93.03436	32.8
96.95973	3.0
99.04527	0.8
101.02436	0.6
105.03463	2.0
109.02931	3.5
111.04519	5.6
113.02460	0.6
117.03434	0.4
119.05019	1.5
121.02937	7.0
125.02391	0.6
127.03995	4.4
127.38243	0.3
129.01888	1.4
132.02170	0.4
133.02934	18.1
134.03729	1.9
135.04518	9.6
137.02422	2.1
138.91212	0.3
139.04053	0.6
148.01678	1.4
149.02425	0.8
151.04050	0.4
154.25430	0.3
155.03491	2.2
155.60312	0.3
157.02922	0.5
160.01575	1.6
161.02422	58.6
162.02788	0.4
163.03897	0.5
171.02942	0.6
173.04515	11.3
175.00340	0.6
176.01155	2.9
177.01924	7.9
178.02747	0.7
179.03474	4.6
189.64780	0.3
191.05598	100.0
192.05925	0.7
195.08109	1.8
196.05067	0.4
197.06113	0.5
205.06534	0.4
209.06029	0.5
211.07674	0.6
215.05571	1.9
221.06009	1.7
222.06830	0.5
223.07541	2.9
229.01408	4.9
237.05518	0.6
239.07126	4.5
249.05515	2.1
250.06320	0.8
251.07057	3.1
260.04770	0.3
265.05023	1.7
266.05716	0.5
267.06595	4.9
277.04941	2.0
292.03992	0.5
293.04590	2.8
295.06107	6.3
311.05734	1.7
321.04047	5.2
330.82156	0.4
339.05075	59.8
340.05414	1.4
351.07181	4.8
353.08807	3.0
513.10345	94.9
514.10596	2.4
705.16711	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	705.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51703	0.4
67.01897	2.6
69.03439	0.6
71.01378	2.1
72.91515	0.4
81.03465	0.7
83.05033	0.6
85.02937	7.9
87.00852	5.1
93.03445	11.3
95.05013	0.8
96.81620	0.5
105.03446	2.5
107.05042	1.1
108.02192	0.6
109.02943	17.4
111.04521	2.2
123.04533	0.8
127.04012	2.1
127.95554	0.5
133.02937	16.3
134.44162	0.4
135.04500	5.8
145.02863	0.6
155.03496	0.8
157.02931	14.2
158.58534	0.5
159.04506	7.1
173.04478	6.8
177.01938	4.2
179.03502	2.0
185.02449	3.7
191.05598	52.0
193.06624	0.7
203.03467	2.9
207.94778	0.5
215.05602	5.6
219.04555	0.6
221.06062	0.7
225.05573	0.7
229.01401	100.0
230.01721	1.0
239.03464	0.7
239.07225	1.8
248.04858	0.7
249.05519	4.8
250.06239	0.6
253.05156	1.1
254.06088	0.6
263.03430	0.7
264.04214	2.2
265.05032	5.3
266.05737	0.9
267.06552	12.3
269.08182	3.3
276.04236	1.0
277.05051	6.1
278.05792	1.2
292.03708	1.9
293.04535	16.8
294.05359	0.9
295.06097	17.1
311.05606	2.0
313.07056	2.5
321.04028	14.0
337.03607	3.0
338.04413	5.4
339.05087	32.2
351.07291	10.1
367.77515	0.6
460.58182	0.6
469.11069	0.8
476.22351	0.6
485.11044	0.6
513.10364	54.5
514.10687	1.1
705.16614	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	705.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
59.01373	3.8
60.99310	2.3
67.01885	6.6
69.03452	1.2
71.01388	2.7
71.57487	0.5
73.02946	0.6
81.03477	1.7
83.05020	2.1
85.02943	18.1
85.03422	1.0
85.39225	0.5
87.00860	12.9
92.10101	0.8
93.03439	39.5
99.00871	0.7
99.04504	0.6
101.02475	0.5
105.03439	0.8
109.02951	2.6
111.04501	8.2
119.05047	0.6
121.02958	4.1
127.03980	3.9
129.01898	0.9
133.02937	16.0
134.03763	3.4
135.04546	6.8
137.02431	2.3
139.03941	0.5
143.03487	0.6
155.03514	1.9
161.02422	72.1
163.58290	0.5
171.02995	0.7
173.04530	14.4
173.05885	0.9
175.00369	0.8
176.01157	2.2
177.01897	5.5
178.02702	4.0
179.03459	6.2
191.05598	100.0
195.08228	0.6
215.05653	1.1
221.06009	0.7
229.01414	3.1
239.07144	1.9
251.07153	0.9
267.06592	2.5
277.05154	0.7
293.04706	0.9
295.05972	2.9
311.05597	2.6
321.04083	2.2
339.05093	39.5
351.07141	5.4
513.10370	92.6
514.10760	3.0
705.16510	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	705.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73392	0.4
59.01393	1.9
67.01897	2.2
69.03440	0.6
71.01386	0.7
81.03450	1.1
85.02950	7.8
85.03426	0.6
87.00859	4.9
93.03446	11.5
108.95117	0.4
109.02942	6.6
111.04526	2.7
117.06524	0.5
127.04031	2.5
129.01872	0.6
133.02962	2.0
135.04556	0.8
155.03529	0.9
157.02930	5.0
159.04532	4.8
160.01651	0.8
161.02449	2.7
173.02415	0.5
173.04539	2.7
174.03172	0.5
179.03566	0.6
185.02461	1.0
191.05606	52.3
193.06580	0.9
195.08162	3.0
200.35837	0.4
203.03409	1.0
209.06062	0.8
211.07626	2.3
221.06161	3.5
222.06845	1.6
223.07625	6.1
224.04816	0.6
225.05586	0.7
229.01411	36.7
237.05466	3.2
238.06374	1.0
239.07045	3.3
239.50012	0.5
240.04185	0.7
247.03970	0.6
248.04778	1.8
249.05505	6.8
250.06317	2.3
251.07138	5.7
253.05089	0.6
263.03354	0.8
264.04272	1.6
265.05090	7.0
266.05814	1.8
267.06592	16.0
269.08133	1.7
276.04272	1.9
277.04996	7.5
278.05713	0.8
281.04407	0.6
291.02829	0.6
292.03723	2.1
293.04568	12.5
294.05478	1.1
295.06100	21.4
311.05606	5.9
313.07190	0.6
321.04037	23.5
338.04434	1.9
339.05093	84.3
340.05463	1.0
467.91809	0.5
469.11237	0.6
495.09500	0.6
513.10364	100.0
514.10712	2.8
663.99683	0.5
705.16321	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	705.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71662	0.3
55.81948	0.3
59.01398	1.8
60.99327	0.4
61.21377	0.3
67.01907	2.1
69.03474	0.5
71.01391	0.7
77.40787	0.3
83.05029	0.4
83.74196	0.3
85.02946	8.5
85.03413	0.4
87.00865	4.8
93.03440	11.9
99.90840	0.3
109.02959	2.0
111.04509	3.1
117.65544	0.4
121.02982	0.5
127.04001	1.8
129.01912	0.4
133.02983	0.7
135.04564	1.8
137.02449	0.4
155.72528	0.4
159.04494	1.8
160.01677	0.6
161.02425	4.0
171.02888	0.7
173.04530	2.7
179.03477	0.4
191.05603	43.5
193.06561	0.8
195.08154	4.4
196.05077	0.4
205.06581	0.3
206.07399	0.5
207.08195	0.5
209.06128	0.6
211.07701	2.4
220.05312	0.5
221.06065	4.6
222.06987	2.3
223.07629	6.5
224.04784	1.6
225.05687	0.6
229.01387	0.7
232.05232	0.4
234.06973	0.4
237.05453	2.6
238.06360	1.6
239.07091	6.2
245.19080	0.4
249.05489	4.8
250.06430	1.7
251.07127	8.3
252.04158	0.5
265.05026	4.0
266.05807	1.6
267.06573	16.6
277.05032	5.2
278.05777	0.5
279.45883	0.4
280.03711	0.4
293.04541	4.9
294.05103	0.5
295.06082	13.4
311.05609	5.9
321.04037	12.9
339.05081	91.5
340.05426	1.8
495.09412	0.7
513.10345	100.0
514.10571	3.5
705.19257	2.9
724.24506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19402	0.6
57.03443	0.9
59.01390	3.0
60.99305	1.0
61.15352	0.5
67.01904	2.7
69.03467	0.7
71.01376	2.9
81.03466	0.7
83.05009	1.1
85.02948	14.2
87.00867	9.4
92.10162	0.7
93.03444	29.8
99.04504	0.8
101.26410	0.6
102.06680	0.6
109.02956	3.9
111.04520	6.3
113.02419	0.6
119.05000	0.9
121.02935	3.2
127.04011	2.8
129.01935	0.8
133.02939	14.0
134.03717	2.2
135.04521	6.8
137.02469	0.8
139.70605	0.7
148.47031	0.6
149.02458	0.5
155.03488	1.1
157.02899	0.9
159.04465	2.5
160.01665	0.8
161.02422	46.3
163.55592	0.6
167.70679	0.7
173.04536	8.3
175.00363	0.7
176.01122	1.0
177.01906	5.7
179.03494	3.1
188.37819	0.5
191.05606	86.9
192.05980	1.1
193.59608	0.5
195.08167	1.4
211.07518	0.9
214.96552	0.5
215.05634	0.7
221.06081	3.1
222.06754	0.6
223.07614	3.0
229.01436	12.1
237.05525	0.9
238.06207	0.8
239.07071	5.4
248.04788	0.9
249.05566	4.1
250.06244	0.9
251.07072	4.5
265.05017	3.0
266.05832	1.1
267.06570	9.5
269.08258	0.7
276.04083	1.0
277.05060	3.4
280.67950	0.7
293.04553	5.4
295.06100	10.7
298.28336	0.6
311.05533	5.5
321.03922	9.9
326.25708	0.6
339.05081	78.5
340.05338	1.0
342.84180	0.7
351.07318	2.6
353.08902	1.1
513.10345	100.0
514.10748	2.4
618.75000	0.7
647.97375	0.6
667.01093	0.7
705.16626	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	705.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67169	0.3
55.04925	0.3
57.03445	0.6
59.01382	1.9
60.99303	0.6
67.01884	4.8
67.02204	0.4
69.03463	1.1
69.69696	0.2
71.01388	1.9
73.02940	0.5
77.13194	0.3
81.03462	1.9
83.00787	0.3
83.05000	0.7
85.02937	14.2
87.00860	11.0
89.50833	0.3
93.03437	30.5
95.05054	0.3
99.00939	0.3
99.04501	0.5
105.03451	0.5
107.82355	0.3
108.86607	0.3
109.02954	1.9
111.04515	5.6
113.02422	0.3
117.03489	0.4
121.02942	6.5
127.03998	3.6
129.01930	1.5
133.02933	8.7
134.03716	0.7
135.04504	4.2
137.02451	0.6
143.03401	0.3
147.28369	0.3
149.02423	0.5
155.03505	1.3
161.02420	20.2
161.69150	0.3
165.01570	0.3
171.02979	0.4
173.04539	8.4
177.01927	2.0
178.02681	1.2
179.03491	2.2
189.01872	0.4
191.05603	100.0
192.05902	0.5
211.07724	0.3
215.05563	1.6
221.06107	1.2
223.07658	0.7
226.14934	0.3
229.01465	0.5
239.07164	3.8
249.05528	0.4
250.06444	0.4
251.07051	1.6
265.05045	1.1
267.06625	1.6
268.68921	0.3
277.04996	0.4
283.06049	2.3
293.04507	1.1
295.06113	1.8
296.24356	0.3
311.05685	4.3
321.03882	1.3
339.05084	22.1
340.05597	0.5
351.07166	5.0
353.08661	0.5
357.09961	0.5
432.94870	0.3
513.10370	59.6
514.10675	2.9
565.31934	0.4
593.54193	0.3
705.17035	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	705.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
57.22575	0.3
58.14174	0.3
59.01384	2.6
60.45289	0.4
60.99313	1.8
67.01887	5.8
69.03460	1.6
70.96599	0.3
71.01371	2.5
73.02942	0.4
75.13010	0.3
78.32726	0.3
81.03475	2.1
81.93121	0.3
83.05043	1.8
85.02951	15.6
87.00874	11.9
92.63972	0.4
93.03450	36.0
95.05010	0.4
99.00872	0.5
99.04493	0.6
105.03457	2.0
107.04996	0.4
109.02936	2.3
111.00858	0.4
111.04522	7.1
119.05000	1.3
121.02941	1.8
127.04001	4.0
129.01935	0.8
133.02948	16.7
134.03709	3.3
135.04518	9.5
137.02434	2.3
150.03230	0.4
155.03494	2.4
160.01659	0.5
161.02428	68.5
163.03978	0.5
171.03114	0.6
173.04532	9.9
175.00421	0.8
176.01172	1.5
177.01923	6.4
178.02721	4.1
179.03506	5.3
183.58243	0.3
191.05611	100.0
195.08072	0.5
195.43501	0.4
200.92749	0.3
215.05566	1.9
229.01360	0.5
249.05513	0.5
267.06613	0.7
277.05118	0.5
283.06039	0.4
293.04562	0.5
295.06140	0.7
297.87122	0.4
315.76492	0.4
321.04031	1.3
339.05093	34.5
340.05417	0.6
351.07153	6.9
456.47183	0.4
513.10352	94.6
514.10870	3.6
705.16809	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	705.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01371	2.4
60.99295	1.9
67.01882	5.8
69.03440	0.8
71.01337	3.1
73.02944	0.8
73.29809	0.4
77.03967	0.9
81.03426	0.9
83.05006	1.7
85.02934	8.1
87.00857	13.2
89.03960	0.7
91.05520	0.5
93.03438	41.6
95.05000	3.7
99.04510	0.6
99.42320	0.4
105.03436	11.9
107.04993	4.5
109.02940	10.0
111.04500	9.9
117.03429	1.5
123.04498	2.2
124.34072	0.4
127.04012	1.7
129.01947	0.9
133.02930	84.6
134.03648	0.7
135.04501	27.1
136.04808	0.4
149.02420	0.7
150.03201	2.3
151.03993	0.7
155.03493	2.2
157.02998	1.7
159.04480	1.0
161.02393	2.6
173.04523	24.9
177.01920	20.1
179.03485	7.2
181.62473	0.4
191.05594	100.0
192.05984	0.8
195.02829	0.7
203.03548	0.9
215.05597	30.0
229.01378	11.3
265.04999	1.9
267.06711	0.9
277.04996	0.9
293.04678	3.3
295.06189	2.8
307.08221	4.7
321.04095	4.9
338.04196	0.6
339.05103	4.7
351.07205	65.2
352.07614	1.6
353.08807	5.1
402.58942	0.5
435.55908	0.5
491.04800	0.5
513.10419	8.1
569.49670	0.5
705.16925	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32811	52.4
79.30402	62.2
103.61241	71.6
142.33836	66.5
168.82664	67.1
174.42915	64.3
272.19278	66.7
302.59323	100.0
342.48651	64.2
361.30109	78.2
392.06479	67.8
573.06238	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34751	72.2
57.36605	64.8
65.54976	65.3
65.71013	71.7
68.67575	71.6
73.24142	69.6
74.06688	66.9
74.78059	63.0
132.83766	86.7
147.04152	100.0
159.27530	78.8
181.93973	83.8
184.81580	72.9
194.61200	86.9
536.96472	83.6
570.41833	94.8
618.26837	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	703.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16555	2.0
61.98826	8.8
69.00072	1.6
85.02953	2.3
91.47153	1.8
93.03447	11.0
101.97703	1.6
121.02943	10.4
122.03720	3.2
123.04519	10.3
128.86349	1.7
133.02946	2.6
135.04506	17.9
137.02428	27.1
139.04010	16.2
148.01637	3.4
149.02426	77.6
161.02379	12.8
167.03432	3.3
191.05649	17.3
319.02310	3.6
337.03476	9.7
350.03900	2.1
469.33221	2.8
511.08472	3.4
593.38586	8.8
637.37476	45.7
667.38501	100.0
668.38519	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	703.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82816	1.7
58.00596	1.9
59.01377	100.0
61.98823	13.5
71.01381	7.4
74.62572	1.8
82.80373	1.7
85.02938	8.7
89.02428	4.0
93.03439	4.3
96.95983	2.3
101.02433	4.3
113.02427	3.1
119.03477	2.6
124.01673	2.0
135.04520	2.8
163.11235	7.3
189.48624	1.9
191.05598	29.6
197.11810	19.1
207.10211	3.7
209.11824	21.6
221.08191	6.6
225.11456	2.0
227.12872	3.8
263.03470	2.5
265.04935	4.0
293.04584	8.1
303.63721	2.0
311.05478	2.5
312.67032	2.5
319.02414	7.1
337.03458	23.0
391.26224	2.8
405.27905	18.3
407.25162	2.1
421.27722	2.4
435.29218	9.2
439.28616	35.4
449.27097	7.8
467.27533	3.0
469.29602	33.7
481.29688	44.9
511.08795	9.9
523.29260	4.1
639.05078	2.0
703.15424	3.3
703.35864	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	703.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03447	1.0
59.01371	15.6
61.93385	0.6
61.98809	1.2
66.00212	0.5
71.01367	6.1
73.02932	0.7
80.02667	2.3
81.03430	4.2
83.01395	0.7
83.05005	8.8
84.02149	1.4
85.02939	3.6
87.00854	2.2
88.27934	0.5
89.02446	4.3
92.63525	0.6
93.03434	2.9
95.05016	1.3
97.02916	5.7
99.00861	0.7
101.02425	7.5
107.04999	0.7
109.02904	0.8
109.06579	26.1
110.03725	1.0
111.04538	0.6
113.02399	2.3
116.92859	0.7
119.03456	1.0
121.06573	2.7
124.01592	0.7
125.02421	2.2
125.09689	2.6
135.04427	0.9
135.08124	4.6
136.05270	0.8
142.02695	1.3
161.04509	2.5
161.09734	1.0
163.11276	22.5
165.12761	2.6
171.10262	0.9
181.12334	4.2
183.13870	0.7
185.11827	1.3
189.09206	1.0
191.05612	12.0
191.10696	1.2
197.11760	4.1
207.10251	69.3
209.11815	100.0
210.12195	0.9
213.09258	4.0
225.11298	32.7
227.12820	10.7
231.10088	0.9
235.08202	1.1
247.13387	0.9
249.11259	0.7
253.09277	9.4
257.08212	3.5
263.03476	2.1
265.04987	3.5
293.04526	2.4
294.01581	1.0
299.15091	1.0
319.02411	2.2
326.39786	0.6
337.03436	6.8
373.23779	0.9
381.20798	0.8
399.21796	4.3
417.22858	3.2
443.19003	2.1
445.20944	0.9
461.20206	10.2
511.08511	3.6
608.13458	0.6
635.30786	16.2
653.31940	15.6
671.32819	26.5
671.44122	1.1
703.14764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81607	0.1
63.02400	0.7
64.54150	0.1
65.00310	1.3
83.01397	0.8
92.10902	0.2
93.03452	0.2
107.01376	3.5
108.29103	0.1
116.92803	0.5
121.02905	0.2
124.01609	0.2
125.02454	0.2
133.02925	14.6
135.04483	1.6
137.04179	0.1
143.04999	0.3
145.02997	0.2
146.74380	0.2
147.04507	0.2
149.02412	3.2
151.00348	8.9
155.05029	0.2
156.75340	0.1
169.06705	0.2
171.04517	0.3
175.03975	3.3
176.90532	0.1
185.06099	0.5
189.05402	0.2
191.05592	0.9
197.06075	0.3
198.03163	0.5
199.03992	3.1
201.01910	1.3
211.03981	0.2
213.05530	0.7
215.03476	1.0
217.05031	1.9
223.03951	0.2
223.21028	0.1
229.05208	0.2
239.03461	0.2
241.05031	1.1
243.03020	0.7
257.04440	0.8
263.03629	0.1
267.02979	0.5
285.04028	100.0
286.04382	2.1
287.05585	1.0
319.02591	0.2
325.86652	0.2
337.03482	0.6
511.08994	0.3
541.68390	0.2
605.27783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53564	7.6
55.51385	7.3
59.01360	10.7
60.99920	8.3
67.78442	11.0
75.08195	8.6
81.06113	9.1
85.52126	8.8
97.02985	9.2
109.06575	15.5
116.92844	12.0
131.17650	11.6
137.02438	17.2
161.02332	14.6
176.44408	9.0
184.24271	9.6
187.55563	10.5
191.05626	50.3
207.10258	56.2
219.04416	11.2
223.13344	44.7
225.11250	38.3
234.02087	10.1
293.04770	11.2
299.22324	13.3
337.03403	48.9
398.13245	10.4
413.23526	12.1
511.08557	14.5
599.83612	11.8
631.31421	14.4
649.32251	100.0
665.25574	14.7
667.32367	85.6
703.31317	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23515	0.3
50.98484	0.3
51.40929	0.4
57.03446	0.8
59.01384	2.0
60.99317	0.7
61.37775	0.3
67.01888	5.2
69.03455	0.8
71.01382	1.9
73.02938	0.8
81.03446	0.6
83.05029	2.0
85.02937	6.9
85.08980	0.4
87.00861	7.2
93.03437	39.3
99.00859	1.9
99.04527	0.7
101.06630	0.4
107.05049	0.6
109.02959	0.4
111.04511	8.3
113.02421	0.6
117.03493	0.7
127.03996	2.0
129.01907	0.5
133.02936	4.8
134.03722	15.1
135.04500	75.8
137.02449	4.6
143.03474	0.5
146.01486	0.4
155.03505	2.1
161.02422	16.9
172.54813	0.4
173.04518	11.5
179.03471	52.2
191.05597	100.0
192.05934	0.9
193.05026	6.1
193.72920	0.4
235.03889	0.6
263.03412	1.9
265.05048	1.0
267.06668	0.4
284.12976	0.4
291.02979	1.6
293.04440	3.3
294.01715	0.4
311.05505	0.9
319.02454	8.6
323.99857	0.4
335.07718	47.1
336.07751	0.8
337.03577	3.4
348.17621	0.4
367.10312	25.0
511.08817	4.6
618.98004	0.4
653.58990	0.5
703.15479	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	701.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85673	0.8
59.01389	2.2
60.70834	0.8
60.73447	0.8
68.91396	1.0
71.01382	1.6
76.17274	0.8
81.15272	0.9
83.05025	1.6
89.02470	1.2
92.10839	2.4
101.02435	2.1
115.97260	0.9
127.45358	0.9
209.11832	49.5
218.24242	1.3
227.12888	4.8
235.08398	1.6
253.09299	5.5
255.23294	100.0
256.23584	1.2
564.20209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4479
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
59.01384	3.3
59.47147	1.7
99.24989	1.9
101.02434	3.4
105.61457	1.8
107.52876	1.8
111.44100	1.7
122.16599	1.7
164.69641	2.0
165.12794	7.2
183.13881	47.4
193.24457	2.5
205.06819	1.9
210.80643	2.0
255.23283	100.0
274.43024	1.8
443.73953	2.3
467.78464	1.9
507.20462	2.0
602.65002	2.1
701.44885	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53878	0.3
57.03452	0.4
59.01386	0.8
63.01854	0.3
64.47263	0.3
67.01887	0.6
71.01362	1.4
82.89297	0.4
83.05042	0.4
85.02951	6.1
87.00867	2.1
93.03445	6.4
99.04506	0.4
105.03452	0.9
109.02927	0.8
111.04527	2.0
127.03951	2.0
133.02940	11.2
173.04538	3.8
177.01906	2.4
191.05608	37.6
209.06096	1.3
211.03932	0.9
215.05597	2.0
219.04456	1.9
235.03856	1.5
236.04648	0.7
237.05492	3.8
247.03987	1.7
248.04805	3.5
249.05600	0.4
263.03461	23.5
264.04230	8.4
265.05038	29.6
266.05374	0.6
266.41061	0.4
267.06592	0.6
291.02975	6.8
292.03598	1.6
293.04517	14.1
294.01785	0.5
295.02444	9.0
307.02341	0.4
309.04062	1.6
311.05612	1.4
319.02441	23.0
336.02835	0.6
337.03528	100.0
338.03818	3.0
350.93188	0.4
351.07251	3.6
353.56143	0.4
493.07458	0.7
511.08835	22.6
560.38013	0.5
703.15192	28.1
704.15552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81947	1.1
56.54605	1.0
59.01371	26.8
61.98828	1.3
64.33588	1.0
65.30539	1.0
69.03448	2.2
69.05631	1.0
71.01350	9.3
73.02985	1.3
76.66243	1.2
78.95886	1.2
80.02660	2.2
81.03478	1.7
83.05025	4.9
85.02953	2.1
87.00874	2.3
89.02432	5.8
92.64622	1.1
93.03461	1.9
95.01347	1.4
97.02920	8.8
97.06571	1.6
101.02434	6.0
106.36449	1.1
109.06570	32.3
110.03688	1.4
113.02441	5.5
117.62273	1.1
119.03482	2.4
121.06564	1.5
121.96401	1.0
125.09690	1.2
135.08145	6.1
136.05234	1.3
142.02670	2.5
149.02490	1.8
161.02490	1.2
161.04568	2.1
161.09683	2.0
163.11261	22.5
169.12317	11.0
170.26762	1.1
181.12401	5.7
183.13918	2.0
191.05609	7.1
197.11818	100.0
207.10246	78.3
209.11800	7.7
210.36522	1.1
211.13425	2.4
225.11304	37.0
235.08250	2.3
237.14938	6.4
253.09320	9.3
263.03467	5.3
281.13922	1.9
315.23126	1.3
335.02118	7.8
359.22134	1.9
361.85550	1.2
369.20840	4.8
377.23224	2.5
387.21741	10.5
405.22754	4.3
433.20776	2.6
443.19376	2.0
461.20230	13.7
501.31970	4.6
503.33569	1.8
529.73315	1.4
595.30835	2.7
605.29901	1.9
623.30756	35.1
641.31866	36.9
665.37061	8.3
701.37238	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44800	0.1
55.07320	0.1
56.43714	0.1
57.03460	0.1
59.01376	1.2
60.20619	0.1
62.30745	0.1
67.01895	0.4
71.01390	0.5
73.02927	0.1
79.35686	0.1
81.03452	0.2
83.05044	0.4
85.02938	5.6
85.33563	0.1
87.00858	1.3
93.03444	2.8
96.96016	0.2
97.26067	0.1
99.04520	0.1
101.02502	0.1
109.02959	0.5
111.04497	1.0
124.45798	0.1
127.03998	1.4
129.01880	0.1
133.02914	0.1
135.04492	0.2
155.03522	0.1
161.02408	0.2
162.85741	0.1
166.19305	0.1
171.02972	0.3
173.04498	0.6
191.05612	27.4
192.05984	0.5
192.99631	0.2
201.28247	0.1
202.02773	0.1
207.04523	0.1
208.01976	0.2
219.04582	0.2
222.03609	0.1
223.04332	0.5
233.02419	0.1
234.03156	0.8
235.03944	0.9
253.05016	0.4
261.02048	0.1
262.02682	0.5
263.03479	54.6
264.03906	1.1
265.05057	0.8
281.04663	0.5
289.01395	0.7
290.02106	0.2
291.02969	2.4
305.00897	0.4
306.01666	2.0
307.02209	0.4
309.04099	0.7
318.01770	0.2
334.01166	4.3
335.01987	100.0
336.02328	1.9
353.08856	0.3
509.07315	2.0
701.13593	27.5
702.13367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53264	0.2
56.14841	0.2
59.01376	1.2
67.01846	0.8
67.48507	0.2
71.01380	0.8
78.95876	0.3
83.05025	0.2
84.49871	0.2
85.02932	4.5
87.00858	2.6
93.03432	6.4
96.96001	1.1
96.96865	0.2
109.02924	0.8
111.04516	1.5
123.04482	0.4
126.30418	0.2
127.03967	1.9
133.02980	0.4
135.04488	6.4
137.02429	1.1
144.04523	3.3
145.51854	0.2
153.01897	0.5
153.05510	0.2
155.03563	0.3
161.02420	3.6
172.18184	0.2
173.04529	3.9
175.55756	0.3
179.03561	0.4
189.43463	0.2
191.05602	100.0
192.05991	1.4
235.04082	0.3
263.03574	0.4
286.60645	0.3
307.02359	0.5
335.02097	2.6
353.08725	2.9
371.09824	31.2
372.10147	0.3
509.61740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31343	8.9
55.01479	8.0
59.01383	11.4
61.67339	8.3
64.28848	7.7
67.45706	7.4
71.01353	8.3
78.95903	12.1
98.77434	9.4
100.44372	9.0
107.24825	9.5
107.43822	9.6
111.20852	9.8
135.04507	18.0
145.02908	15.9
161.02328	10.1
179.03453	13.6
191.05614	100.0
211.13420	14.5
223.13411	9.7
228.33443	11.0
263.03360	11.7
335.01907	46.5
480.82269	13.0
522.73145	11.1
575.14862	10.1
663.35315	21.2
669.58044	9.9
701.13422	11.7
701.32739	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	699.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00079	0.2
54.82082	0.2
57.03442	2.7
59.01368	2.5
62.80759	0.2
63.10174	0.2
65.03970	0.5
69.03446	0.2
71.01362	0.3
79.95747	0.3
83.05009	2.9
85.02940	1.7
87.00853	4.2
88.80129	0.3
92.10812	0.5
93.03422	1.9
95.05008	1.1
96.95988	39.1
109.02979	0.3
109.06563	0.3
111.04502	2.0
111.08147	1.2
115.00376	0.2
119.08669	1.0
121.06569	1.5
123.08141	11.3
124.05273	0.4
133.02930	0.3
133.06551	0.3
135.04532	0.5
135.08165	0.6
137.02426	0.4
137.09741	1.8
138.06857	0.5
139.07646	1.6
145.10237	1.7
147.04512	0.3
149.06056	0.5
151.07617	1.4
151.91989	0.2
153.09187	0.9
161.02388	1.4
169.08755	0.4
169.10178	1.2
171.11778	13.5
173.04535	0.5
177.01888	0.3
189.12823	4.4
191.05592	12.7
192.05919	0.5
199.09692	0.4
201.12831	4.2
207.13901	3.0
217.55128	0.3
219.13860	1.9
237.14937	14.3
277.03528	0.5
281.13916	23.7
337.05649	0.4
361.09622	100.0
362.10120	2.0
496.11191	0.6
517.92297	0.2
531.43933	0.3
609.14905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29506	0.2
57.86459	0.2
59.01377	1.0
60.99303	0.3
67.01894	1.3
69.03447	0.3
71.01389	1.0
73.02966	0.2
81.03468	0.2
83.05049	0.3
85.02949	7.3
87.00870	2.7
93.03444	10.1
97.26442	0.2
99.00823	0.3
109.02943	0.9
111.04514	2.5
119.05003	0.3
122.03719	0.4
125.42173	0.2
127.03983	2.3
133.02953	1.1
135.03500	0.4
135.04504	9.4
145.02968	0.2
145.05061	0.2
149.06073	1.7
155.03481	0.4
161.02444	3.5
171.02954	0.4
173.04510	4.7
174.06792	0.2
179.03490	4.2
191.05602	100.0
192.05963	1.5
193.05081	0.9
266.58026	0.2
275.16583	1.8
301.14536	0.4
316.34637	0.2
319.15524	0.3
337.09256	6.5
353.08765	1.7
387.60583	0.2
395.09827	0.9
472.51239	0.2
537.19757	20.2
538.20087	0.5
699.25165	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	699.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73532	0.5
58.93375	0.6
59.01377	0.8
60.10246	0.6
61.98856	0.7
62.81169	0.6
71.05032	1.2
75.02093	0.6
85.02959	0.7
91.81388	0.7
93.03465	0.8
135.04558	0.9
180.41405	0.9
191.05533	6.6
197.02228	3.8
385.87433	0.7
391.30368	2.8
405.42114	0.7
409.31351	2.5
427.32275	7.7
457.33459	1.0
483.31140	11.5
489.32294	7.3
501.32214	100.0
502.32764	4.5
618.23773	0.8
699.35205	29.0
700.35547	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	697.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65774	1.2
55.62419	1.4
56.10561	1.5
57.40785	1.6
59.01378	15.8
61.98829	2.8
62.45315	1.4
71.01389	6.9
73.02959	2.0
74.53953	1.4
74.56525	1.4
85.02944	3.3
93.03440	8.6
96.96011	2.2
105.03481	6.6
106.15920	1.8
109.02937	4.0
121.02925	3.3
123.04454	2.9
125.02480	2.0
132.02161	3.0
133.02927	29.2
134.03731	39.1
135.04509	52.1
137.02377	3.3
145.03012	1.6
146.78688	1.6
147.04564	3.4
148.05255	3.6
149.06068	6.3
160.01657	18.4
161.02423	21.1
161.06044	2.1
168.57536	1.6
175.04008	25.3
177.01895	4.1
179.03482	27.7
191.05598	34.1
192.05856	2.5
193.04994	20.7
197.11720	2.8
199.13353	1.9
207.06523	6.5
209.11740	2.0
227.12817	2.4
267.07047	1.9
269.08063	2.5
280.07584	2.4
281.08356	2.2
285.04025	13.7
295.09961	2.3
311.09167	2.0
326.11481	2.6
369.13208	3.2
413.39069	1.8
416.92566	2.4
455.31189	4.6
475.14114	6.5
487.13971	10.4
490.16550	11.8
499.30270	3.5
502.16183	8.2
505.11313	3.9
505.18671	100.0
506.19379	2.4
517.18677	67.7
518.18939	2.6
535.19714	20.5
560.08185	1.8
625.32654	2.0
637.39154	3.3
697.24768	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	697.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30878	1.0
57.23888	1.0
59.01389	7.8
61.98831	2.9
62.01278	1.0
66.04794	1.1
71.01379	2.5
71.05016	9.7
73.02944	1.3
85.02943	2.6
87.00858	2.1
88.73728	1.1
93.03445	6.3
96.96030	2.3
97.52306	1.2
107.67253	1.2
109.02953	1.5
114.67603	1.2
115.07532	1.3
123.04531	1.3
132.53426	1.2
135.04568	1.8
147.27353	1.2
173.04623	1.8
177.01901	6.7
189.12900	1.5
191.05592	22.6
192.05948	1.6
197.11806	3.0
199.13499	1.4
199.31955	1.3
207.07675	1.4
227.12769	1.9
239.18097	1.4
285.03906	1.9
291.08902	1.4
297.18332	1.5
321.22244	6.0
323.23880	1.6
335.23798	2.4
339.23157	2.7
342.67661	1.4
351.23071	2.0
391.26297	2.9
395.29651	2.7
407.29636	8.5
409.27487	2.5
411.29083	7.1
423.29178	2.2
425.30615	10.2
433.27682	2.7
439.28418	2.2
451.28677	6.8
453.30209	2.9
455.31619	34.2
469.29556	29.2
487.30685	100.0
488.31192	2.1
499.30386	2.6
607.30780	1.6
637.40186	1.9
697.33752	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	697.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36311	1.3
55.01881	1.9
57.03451	2.1
59.01383	99.9
59.24801	1.4
61.98842	7.7
65.67584	1.4
71.01381	29.3
71.05014	1.7
73.02956	4.1
78.25239	1.4
81.68826	1.6
83.01369	2.5
85.02943	14.3
89.02458	17.7
93.03455	3.9
95.84887	1.5
96.68086	1.6
99.00872	2.7
101.02438	23.1
106.78422	1.7
113.02450	12.0
119.03506	5.7
159.03043	2.7
160.01698	2.2
161.04546	10.9
171.38666	2.0
173.96115	1.7
175.04018	1.6
191.05598	16.0
207.10303	1.8
446.63013	2.1
475.38235	3.1
482.09445	1.6
503.33759	8.8
577.99268	2.1
637.43268	100.0
638.43750	2.9
716.10553	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	696.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47905	0.2
59.01362	1.5
61.98825	100.0
75.67896	0.2
78.95910	0.2
93.03423	0.2
165.62579	0.2
191.05571	1.0
393.99301	0.2
471.34839	0.8
472.35080	1.4
473.35754	1.9
474.35934	1.5
536.47412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98828	100.0
64.33015	0.3
64.75830	0.3
92.10050	0.6
98.86877	0.4
191.05597	1.7
454.29437	0.4
544.58313	0.4
554.79681	0.4
635.40430	0.4
636.41028	1.4
658.20923	0.4
707.53839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12923	0.2
59.01369	1.9
61.98824	100.0
62.87139	0.2
63.60192	0.2
101.96333	0.3
191.05609	1.8
436.71509	0.3
450.57178	0.3
454.30038	0.3
472.35126	2.0
473.35529	2.3
474.35489	1.6
499.89444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
57.95440	0.2
59.01376	2.0
67.01896	1.4
71.01364	1.8
73.02924	0.3
77.24342	0.2
81.03455	0.3
83.05031	0.5
85.02938	7.1
85.03417	0.4
87.00865	2.4
92.63443	0.2
93.03437	10.3
96.96022	0.2
99.04467	0.2
100.65868	0.2
107.05013	0.3
109.02947	1.4
111.00893	0.4
111.04518	3.0
113.02448	0.3
115.00369	0.8
118.98074	0.4
119.05009	1.3
120.05318	0.3
127.03984	2.3
128.45142	0.2
133.02982	1.5
134.03735	1.0
135.04504	24.6
137.02454	1.6
137.06075	0.4
155.03540	1.7
161.02438	2.3
163.04054	0.5
171.02972	0.4
173.04527	27.2
175.02415	1.2
176.02722	0.3
179.03482	17.5
180.03761	0.3
181.05049	1.6
191.05600	100.0
192.05946	1.5
200.21936	0.2
297.21445	0.2
323.05722	0.3
343.10324	0.9
348.03943	0.2
353.08762	27.5
546.73944	0.2
594.11407	0.2
661.50879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44653	0.3
59.01380	0.3
59.89495	0.3
61.98823	100.0
78.95901	1.3
89.14789	0.3
109.21892	0.3
128.80258	0.3
133.01944	0.5
133.02945	9.6
134.03702	1.6
135.04521	3.4
137.02444	0.8
140.01125	0.4
150.03174	0.3
160.17336	0.3
161.02425	35.8
171.10234	4.4
183.13850	0.8
199.09811	0.4
207.10269	0.7
225.11296	0.6
238.92438	0.3
249.18591	1.3
255.23289	3.4
261.13412	0.5
279.43402	0.3
352.11343	0.3
606.37817	0.7
633.37964	51.7
634.38293	1.6
696.40308	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	696.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98832	100.0
70.80366	0.4
92.10209	1.2
94.19777	0.4
98.67090	0.4
133.02936	8.2
134.03758	0.9
135.04503	3.7
137.02399	0.5
161.02425	34.7
183.13867	0.9
255.23271	1.0
309.88300	0.5
358.56912	0.5
402.26437	0.4
415.81735	0.5
539.21143	0.5
559.90790	0.5
623.15295	0.5
633.37982	51.9
634.38330	2.4
696.40137	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	696.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68124	0.1
61.98824	100.0
64.62254	0.1
74.55660	0.1
89.54395	0.1
141.46407	0.2
142.50810	0.2
145.02989	1.2
186.28519	0.2
189.43768	0.2
244.59558	0.2
296.38956	0.2
322.88544	0.2
340.80368	0.2
390.17459	0.2
420.44531	0.2
518.27795	0.2
619.72485	0.2
626.75116	0.2
633.37799	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	696.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76872	0.1
50.82549	0.1
61.98827	100.0
80.15891	0.1
80.26278	0.1
80.50556	0.1
92.10059	0.3
96.31633	0.1
104.36465	0.1
119.03488	0.1
145.02936	0.6
325.90137	0.2
339.75388	0.1
341.15112	0.1
344.58054	0.2
402.72818	0.2
406.88303	0.1
636.39819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29109	0.4
51.73845	0.4
59.01377	0.4
61.98822	100.0
78.95912	0.5
83.05052	0.5
90.35143	0.4
92.10860	1.7
115.57030	0.5
133.02939	6.2
135.04483	1.9
147.14348	0.4
161.02428	24.6
161.03775	0.8
169.06816	0.4
179.03485	0.9
181.08649	1.8
182.08942	0.5
188.82344	0.5
220.08435	0.4
264.12466	0.5
278.22003	0.9
627.80920	0.4
633.38007	38.7
634.38391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59076	0.4
52.72206	0.3
58.00582	0.4
59.01364	4.6
61.98811	0.5
71.01384	1.8
73.02962	0.5
81.90791	0.4
83.74148	0.5
85.02946	0.9
85.48302	0.4
89.02428	1.0
93.03400	0.8
96.95995	1.0
101.02433	0.6
109.02920	0.5
134.37131	0.5
137.02464	0.6
161.80270	0.4
173.04527	0.4
191.05585	5.5
207.05066	0.9
427.32224	0.6
443.35233	0.5
467.31284	0.6
469.33267	9.0
473.33102	0.6
487.34286	100.0
488.34500	3.0
631.22101	1.4
635.36993	2.8
649.39874	2.1
695.39935	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	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
59.01371	4.3
61.98822	0.4
68.45197	0.4
71.01363	1.6
71.05006	0.7
78.05476	0.4
83.05005	0.4
85.02943	1.9
89.02444	0.9
92.10895	0.9
93.03415	0.7
96.57720	0.4
96.95982	1.9
101.02385	0.8
104.33259	0.4
111.08817	0.4
113.02445	0.5
126.02354	0.5
128.01315	0.4
135.04416	0.8
140.56274	0.4
191.05629	6.9
200.35626	0.4
207.05046	2.3
427.32416	0.5
462.88452	0.5
467.31671	0.9
469.33215	9.0
487.34277	100.0
488.34692	3.1
631.21802	0.8
635.37085	2.9
649.39453	2.4
659.36401	0.6
695.40167	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	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03469	0.9
56.73183	0.7
59.01376	24.2
61.98819	1.5
64.43391	0.8
71.01381	1.6
72.29970	0.8
80.02708	0.9
81.03423	1.3
83.01382	1.0
83.05014	25.7
83.05508	1.2
85.02940	1.1
89.02428	3.4
96.05413	0.9
97.06554	1.1
101.02428	2.1
101.03620	0.9
109.05936	1.2
109.06586	5.5
134.78334	1.0
135.08141	10.8
137.09715	4.7
163.07713	1.7
164.26004	0.8
177.98541	0.9
181.08693	100.0
191.05547	1.9
199.09787	7.3
209.11900	1.7
235.08223	1.5
248.31953	0.9
249.18678	1.2
253.09300	9.6
277.21692	70.7
307.74316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.7
55.82188	0.7
57.42085	0.8
59.01373	6.8
61.42780	0.8
61.98832	1.6
71.01381	4.3
79.14949	0.9
79.84866	0.8
83.05018	3.2
88.57824	0.8
89.02415	1.4
101.02426	4.2
113.02435	2.1
150.32887	1.2
154.74603	0.9
163.11311	3.5
165.12817	2.2
191.05597	4.1
209.11829	71.5
210.12013	1.0
227.12877	7.1
235.08173	5.7
249.18579	100.0
250.18829	1.9
253.09312	6.8
536.26685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
61.98838	2.3
67.72419	0.4
79.23984	0.5
85.02938	0.5
85.47694	0.6
92.10194	0.7
92.63883	0.6
93.03471	0.6
116.92822	0.7
119.03484	0.4
135.04514	1.2
161.02472	0.5
191.05624	6.2
207.05070	1.1
226.84322	0.6
248.61887	0.6
274.07269	0.5
443.11020	0.7
473.32562	1.0
487.34283	100.0
488.34473	3.8
615.81445	0.7
649.39734	2.1
695.40167	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	695.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15923	0.8
51.56134	0.7
55.01884	0.9
59.01374	9.9
61.98829	3.5
64.08368	0.7
71.01383	6.5
73.02937	0.9
83.05044	1.0
89.02437	1.8
101.02434	5.9
113.02430	1.6
118.82246	0.8
129.27153	0.8
161.04507	1.8
165.12822	11.1
165.21181	0.9
183.13878	83.4
209.11768	1.2
227.12863	4.5
231.17474	1.3
235.08226	1.4
249.18582	100.0
250.19107	1.3
253.09241	6.6
463.21765	1.2
695.40112	87.3
696.40173	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80059	0.2
54.81359	0.2
57.03453	0.2
59.01374	2.5
63.99929	0.2
67.01902	0.2
71.01367	1.2
73.02930	0.2
78.41988	0.2
82.21890	0.2
85.02940	6.4
87.00862	1.4
89.02465	0.4
93.03447	2.5
99.00853	0.2
101.02394	0.3
103.78763	0.2
105.03440	0.4
109.02933	0.8
111.04487	0.8
113.02397	0.3
123.13984	0.2
127.03992	2.0
133.02940	9.2
134.03319	0.3
135.04495	3.8
137.02452	0.3
155.03494	0.2
161.02423	35.3
163.40468	0.2
171.02968	0.4
173.04520	1.6
177.01923	6.1
177.05383	0.2
178.02267	2.3
179.03534	4.2
191.05605	100.0
192.05948	1.9
193.06078	0.2
203.03465	0.4
251.05455	0.2
339.07272	1.1
340.07593	0.9
341.08737	11.8
351.07129	0.2
352.07288	0.2
353.08755	10.9
353.13065	0.4
595.28192	0.2
710.18591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	7.8
67.01883	1.1
70.63026	0.6
71.01360	9.7
72.04389	0.6
72.99287	1.4
76.55928	0.6
83.01384	6.3
85.02937	3.3
87.00854	7.7
93.03447	5.2
96.95990	1.2
99.00856	18.6
101.02394	0.9
109.02940	14.5
111.00851	3.5
111.04508	0.7
115.00352	31.9
117.78649	0.7
119.04996	0.9
121.02940	0.7
121.06562	3.5
125.02400	1.3
133.02948	8.7
135.04488	9.8
137.02412	0.9
139.00349	7.3
145.02934	4.6
147.04509	12.5
148.05276	4.5
148.60272	0.7
149.06065	100.0
150.03265	0.8
155.03569	0.8
157.01392	3.9
157.52440	0.7
159.03035	1.2
159.04475	3.5
161.02426	41.5
161.06020	5.7
163.03978	5.2
163.46243	0.6
165.01898	1.6
165.05548	5.6
173.04483	2.6
173.05887	0.8
174.03154	3.0
175.02428	21.8
175.03969	17.7
177.01918	34.8
177.05481	1.6
179.03445	5.1
187.03946	1.4
189.05542	6.2
191.03709	1.8
191.05579	21.9
191.07181	1.4
192.06017	5.6
193.04849	11.5
194.06294	1.0
195.06612	1.1
201.05426	0.8
203.07036	0.8
205.05081	4.9
206.02159	9.4
209.00858	1.1
209.04501	0.9
215.03497	1.3
219.02977	23.8
219.06378	1.1
229.04999	0.7
231.06575	1.5
233.04532	35.0
237.01759	1.1
237.04004	27.1
245.77094	0.8
249.07780	1.4
255.05113	1.0
275.05496	1.7
277.03510	47.0
293.06647	8.2
319.04550	18.3
327.10788	4.2
337.05692	47.9
695.18683	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	695.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52695	0.2
54.81459	0.2
54.84159	0.2
57.03448	0.4
59.01385	1.2
63.55679	0.2
67.01897	0.9
71.01382	1.1
83.05032	0.4
85.02940	7.2
85.03426	0.4
87.00859	1.8
88.35880	0.2
90.09293	0.2
93.03444	6.5
94.03786	0.3
96.95991	0.3
109.02949	0.9
111.04508	1.4
127.03987	2.1
133.02937	1.1
134.03719	0.8
135.04510	40.9
137.02420	0.9
148.43295	0.2
155.03477	0.5
161.02457	2.3
171.02951	0.4
173.03139	0.3
173.04535	9.6
174.04944	0.2
179.03491	41.0
180.03824	0.3
191.05609	100.0
192.05960	4.0
193.06038	3.3
194.06386	1.1
293.12473	0.8
301.41553	0.3
341.08765	16.5
353.08783	13.7
421.48892	0.2
694.19720	1.0
695.20215	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	695.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09068	0.2
51.60563	0.2
59.01376	1.3
67.01888	0.9
71.01378	1.2
83.05011	0.4
85.02935	7.7
86.03287	0.3
87.00838	2.0
90.01618	0.2
91.96904	0.2
92.10908	0.2
93.03430	5.7
94.03768	0.2
96.96024	0.3
99.00886	0.3
109.02949	1.1
111.04496	1.7
114.60126	0.2
117.49147	0.2
127.04000	2.3
129.01892	0.2
133.02928	2.0
134.03728	0.5
135.04497	39.5
136.04822	0.3
137.02399	0.5
155.03465	0.3
161.02422	2.5
171.03024	0.3
173.04527	8.8
173.06032	0.3
179.03484	38.0
191.05602	100.0
192.05937	4.1
193.06082	2.8
194.06383	0.9
202.84236	0.2
243.78099	0.2
293.12308	0.3
317.84915	0.2
341.08762	16.1
351.06995	0.3
353.08777	14.2
382.04352	0.2
391.89404	0.2
397.65369	0.3
694.19812	1.0
695.19739	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	695.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07238	0.6
55.18203	0.6
57.03437	1.0
58.75650	0.9
59.01367	6.3
60.99283	0.9
67.01903	3.3
67.59575	0.9
71.01380	6.9
73.02940	0.9
81.03436	1.6
83.04996	0.9
85.02471	1.4
85.02950	18.4
87.00861	6.3
93.03445	25.6
94.03817	1.1
96.95991	4.9
103.09264	0.7
105.26332	0.8
108.02140	4.7
109.02946	35.0
111.00823	1.4
111.04472	5.2
115.00380	6.1
119.05025	1.1
121.02908	1.8
125.76615	0.7
127.03960	4.6
128.04309	0.9
133.02892	5.2
134.03650	1.2
135.03610	0.7
135.04500	9.0
145.02917	1.1
146.03598	1.1
147.04391	1.4
149.05937	1.3
155.03453	1.5
159.04469	4.9
161.02415	18.2
161.06010	3.4
163.04056	1.3
165.01830	1.0
171.04570	1.0
173.04500	9.0
173.05786	1.4
175.03903	1.5
175.07512	1.0
179.03406	4.3
187.03935	2.0
187.07617	1.1
191.05609	100.0
192.05893	9.4
193.05975	4.0
196.05145	1.2
213.05525	1.6
223.07631	1.3
227.03381	1.3
241.04959	1.9
243.02905	1.0
251.07030	1.4
253.04900	1.7
255.06593	1.0
267.06592	1.6
268.07172	1.1
269.08105	7.3
271.02335	3.4
271.09610	1.8
279.06445	3.3
281.08096	8.5
284.03314	6.5
285.04044	6.7
289.05273	1.6
295.05945	3.3
297.04147	1.3
297.07831	1.0
297.11179	5.5
298.04828	1.0
299.05405	2.9
300.02716	3.9
305.08136	1.2
307.06067	1.6
307.13916	1.1
309.03937	4.4
323.05533	1.0
323.09207	8.8
327.05029	8.0
341.06168	1.3
349.07025	3.2
357.06165	3.5
363.08621	7.4
375.08826	1.2
391.11938	10.3
405.09799	8.4
417.09784	6.6
433.12747	5.4
447.09125	1.8
459.10635	5.3
463.08856	1.9
471.09222	1.0
477.11801	5.9
489.10236	1.6
503.09778	10.3
521.10840	10.6
651.17126	5.6
655.20697	1.0
695.16095	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
60.30175	0.6
67.01885	1.9
71.01372	3.9
73.02913	0.8
81.03423	1.6
82.40174	0.7
82.40675	0.7
83.05030	1.0
85.02950	12.2
87.00878	6.4
93.03443	22.0
96.96021	2.9
107.05014	1.0
108.02140	1.5
109.02943	48.6
111.04475	3.6
113.02377	0.8
115.00322	1.7
117.03388	0.9
120.47916	0.8
121.02935	3.0
127.03975	2.7
133.02905	3.3
134.03650	1.3
135.04512	27.8
136.04837	1.5
137.02403	1.7
145.02861	6.4
147.04494	1.4
149.05991	1.5
151.03987	1.6
159.03275	1.0
159.04504	27.2
161.01364	0.8
161.02435	14.8
161.06038	1.9
168.29297	0.7
173.04451	10.1
173.06032	3.7
174.03220	0.7
175.03915	1.1
175.07611	1.3
179.03467	7.4
187.03903	3.4
191.05598	100.0
192.05881	4.4
193.06001	1.4
197.06041	0.9
201.05516	1.3
211.07571	0.9
219.02939	1.3
225.05431	4.3
237.05498	1.3
239.03433	3.1
241.04893	1.4
244.18167	0.8
253.05019	14.4
254.05730	3.9
255.06604	1.0
263.06851	2.8
265.04886	1.4
266.05701	1.6
267.06537	1.4
268.03577	1.7
269.08063	4.0
271.09830	2.9
279.06445	1.5
280.03632	0.8
281.04489	7.6
281.08047	22.2
282.08887	1.2
283.05936	1.0
293.08237	0.8
295.05972	4.6
295.09235	0.9
297.07794	1.7
297.11206	4.7
307.05981	1.7
323.05649	1.4
323.09030	8.1
341.06659	1.0
351.06912	1.1
353.08282	0.8
363.08777	1.6
391.11841	1.5
405.09775	9.9
426.10596	1.2
433.13068	7.0
435.10846	3.9
435.60962	3.9
459.10529	1.0
477.11569	3.0
503.09503	1.5
515.11719	3.9
521.10870	15.3
651.16949	1.1
677.20135	1.5
695.15973	41.6
696.16479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.51
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.3
81.20322	0.4
82.57253	0.3
137.96687	0.4
145.76653	0.4
147.61307	0.3
196.46646	0.4
205.12332	0.6
221.15468	100.0
222.15796	0.8
222.71439	0.4
223.09796	0.4
259.94089	0.4
335.00156	0.4
465.51822	0.4
471.34821	26.7
472.35297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41643	0.2
60.76432	0.2
61.98824	100.0
67.02573	0.2
78.85253	0.2
85.60456	0.1
87.66756	0.2
89.66170	0.2
111.23039	0.2
117.03466	0.2
128.70428	0.2
145.02925	0.9
150.67395	0.2
191.05753	0.3
196.36925	0.2
203.02341	0.2
269.04425	0.2
288.68344	0.2
307.47272	0.2
327.06812	0.2
397.90762	0.2
529.33282	0.2
631.36237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
60.46869	0.1
61.98824	100.0
62.65456	0.1
86.45857	0.1
111.04939	0.1
117.03496	0.1
119.04998	0.1
124.14079	0.1
130.73241	0.1
145.02939	0.9
146.03261	0.4
155.64859	0.1
191.05643	0.2
448.93588	0.1
535.25482	0.1
631.36029	0.1
634.37622	0.3
637.23608	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	694.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
66.49231	0.9
78.95886	23.9
78.96281	1.2
80.02688	1.0
81.03427	1.5
83.05019	8.7
84.02168	1.4
86.46186	0.9
89.21706	0.9
97.56125	1.0
113.24308	0.9
140.01193	6.7
152.99550	9.3
153.99898	1.2
163.11247	8.1
165.12914	3.9
171.00648	1.4
191.10770	1.7
196.03839	5.6
209.11819	100.0
210.12129	9.7
211.12515	1.8
227.12859	13.4
253.21683	1.2
255.23271	62.6
256.23639	8.5
259.15277	1.1
289.59036	1.0
427.90356	1.0
451.32663	1.1
452.28024	1.3
456.17401	1.0
457.17780	2.3
458.18100	1.5
662.40454	13.0
694.42712	51.5
695.42865	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.8
65.05683	0.2
71.01397	0.5
78.63583	0.2
85.02975	0.2
89.58840	0.2
93.03439	0.2
101.02438	0.3
191.05579	1.4
193.31030	0.2
209.11807	1.1
231.92996	0.2
402.17590	0.3
471.34772	100.0
472.35071	3.7
488.34293	0.3
633.39966	1.5
693.31073	0.3
693.42145	0.4
701.20697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.2
58.67128	0.2
59.01383	26.7
61.54489	0.2
61.98828	0.3
71.01390	0.4
89.02416	0.2
101.02418	0.3
113.02420	0.4
146.78355	0.2
191.05591	0.4
209.11865	0.4
211.13438	1.4
249.10921	0.3
393.31906	0.2
397.15649	0.2
423.32675	1.0
447.22482	0.3
450.48917	0.2
471.34787	100.0
472.35049	3.9
485.36548	0.4
495.22061	0.2
633.40015	1.0
648.87866	0.2
693.32196	0.7
693.42407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	19.0
81.03459	4.6
82.61065	2.6
83.50426	2.5
92.68268	2.3
94.62224	2.7
97.02932	3.1
99.00924	2.6
107.05093	3.6
117.07112	16.4
117.94686	2.3
123.04489	11.0
133.06607	19.0
135.08151	82.2
153.09222	15.4
179.07138	74.7
197.08192	33.5
202.66940	2.5
253.09251	14.4
277.21698	100.0
293.70197	3.3
339.53088	2.6
349.71652	3.0
414.97690	2.6
433.17166	3.8
693.38635	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.4
61.98832	0.6
67.52647	0.4
71.01386	0.9
71.05012	2.2
94.74033	0.5
110.27318	0.5
116.92834	0.8
137.03932	0.5
182.84419	0.4
191.05548	4.3
207.05017	0.9
425.30640	1.0
441.33694	2.0
455.31613	0.6
467.31583	8.4
471.30930	0.9
473.32712	0.7
485.32724	100.0
486.32983	3.2
487.33658	0.7
647.38385	1.0
693.38672	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	693.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67398	1.7
53.68666	1.5
57.12457	1.7
57.43660	1.6
59.01382	13.7
64.42065	1.6
66.60995	1.9
71.01384	8.7
81.03458	2.1
96.94606	2.2
97.02933	3.3
98.72765	2.2
101.02425	4.1
109.06579	16.1
113.02439	2.6
118.01619	1.8
136.05191	2.3
163.11278	14.8
177.64464	2.2
191.05617	2.7
201.24422	2.2
207.10265	60.5
225.11346	18.8
235.07942	3.4
249.18588	100.0
249.21141	4.3
253.09311	11.2
408.75235	2.2
453.33432	4.8
454.34033	10.5
455.34396	2.7
693.38629	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	693.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60838	2.5
61.81054	2.6
64.33075	3.1
78.95891	31.6
80.02667	2.8
82.85582	2.6
83.05024	5.6
101.63416	2.4
103.24763	2.5
109.06571	3.5
115.04042	2.7
116.92854	4.8
152.99564	32.4
163.11255	4.9
165.12863	3.4
173.57181	2.6
183.13843	4.8
191.17717	2.6
197.11790	16.2
209.11812	94.7
227.12848	10.6
255.23277	75.3
256.23703	4.6
336.43533	2.8
457.18497	6.3
485.83865	2.7
693.39642	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	693.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65924	1.3
52.21289	1.2
53.40271	1.4
56.49210	1.2
59.01374	1.5
59.15924	1.2
61.98831	2.1
66.41825	1.4
114.35944	1.7
117.03457	22.5
119.05021	12.8
123.55048	1.6
145.02950	100.0
146.03319	1.7
162.38612	1.4
163.03963	9.6
183.45064	1.4
185.56360	1.4
191.05563	2.6
405.32748	1.6
460.10580	1.9
547.83984	1.7
633.27667	3.3
633.37903	82.8
634.38287	1.7
693.33667	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	693.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73859	0.3
59.01374	25.8
61.98821	1.3
71.01369	0.6
76.56149	0.5
85.02953	0.6
89.02443	0.5
97.06639	0.4
113.02477	0.5
113.05505	0.3
132.82999	0.4
183.57495	0.4
191.05598	2.2
194.12906	0.4
209.11847	6.6
211.13397	8.7
217.43565	0.4
227.12872	1.5
235.08040	0.5
429.21292	0.5
446.98151	0.5
447.22391	0.7
471.34796	100.0
472.35471	1.3
485.32407	0.5
633.39990	0.9
693.32330	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	693.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13711	0.4
59.01373	5.5
67.01888	2.8
71.01374	3.3
76.56326	0.5
82.12630	0.5
83.05014	0.7
85.02938	14.8
86.35272	0.5
86.35767	0.5
87.00862	4.0
92.10177	0.7
92.33828	0.4
93.03440	19.8
94.03788	0.5
96.95992	3.4
98.95579	2.3
101.02405	0.6
109.02943	2.2
111.00896	0.9
111.04514	3.9
113.02497	0.5
119.05017	1.1
125.02464	0.5
127.03984	2.7
135.04514	2.0
137.02431	1.0
139.75725	0.5
147.04539	0.5
155.03497	2.8
171.02983	0.6
173.04523	36.1
179.03593	0.5
180.04028	0.5
187.07500	0.9
191.05594	100.0
192.05943	4.6
195.08121	3.1
197.09717	5.0
211.07664	0.6
213.12885	0.6
239.10687	1.9
245.90636	0.5
256.33102	0.5
257.07968	0.5
275.95206	0.5
281.04575	0.9
283.09821	2.4
295.11121	0.6
301.10767	1.1
303.05447	0.5
354.09268	0.6
415.50256	0.5
435.12790	0.5
449.14243	0.6
501.14084	12.6
519.15057	1.9
693.20062	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	693.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29957	0.2
57.03442	0.3
59.01386	1.4
59.56653	0.2
61.35995	0.2
67.01887	0.6
71.01396	0.5
73.89929	0.2
85.02942	4.9
86.03298	0.4
87.00868	1.9
88.01234	0.3
88.14484	0.3
92.10170	1.0
93.03437	7.8
93.04023	0.3
94.03790	1.4
108.02226	0.2
109.02962	1.4
111.04512	1.7
115.00363	1.0
115.72279	0.2
119.05009	100.0
120.05341	0.6
124.07478	0.3
127.04002	1.1
135.04538	2.4
136.04800	0.5
137.02373	0.3
155.03484	0.3
161.02454	0.3
163.03996	77.6
164.04343	0.6
173.04506	5.3
174.04846	1.4
175.04994	0.3
179.03468	1.4
191.05606	34.0
192.05951	10.2
193.06055	6.7
197.66476	0.2
226.06299	0.4
227.07028	1.4
228.07477	0.4
255.10274	1.6
256.10663	1.8
257.10864	0.6
325.09290	11.5
344.08649	0.3
353.08701	1.1
440.22458	0.2
517.13159	0.3
518.14087	0.4
519.14154	0.6
693.19470	12.7
694.19800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33308	0.2
56.46577	0.2
57.03440	1.1
58.00586	0.2
59.01374	2.7
60.99310	1.2
67.01884	6.5
69.03459	1.5
71.01373	3.9
73.65993	0.2
80.44386	0.2
81.03463	0.7
81.74313	0.2
83.05038	1.4
85.02938	3.6
85.03389	0.3
87.00853	3.4
93.03439	37.2
95.01360	0.3
99.00871	0.3
99.04498	0.3
99.42745	0.3
109.02966	1.4
111.00881	0.5
111.04515	7.9
112.77822	0.2
113.02424	0.5
114.71680	0.2
119.04153	0.6
119.05012	18.9
127.03987	1.4
129.01875	0.4
134.29135	0.3
135.04561	0.3
137.02408	5.0
155.03473	5.0
160.01624	1.7
163.03995	21.1
173.04527	100.0
174.04848	0.6
175.03966	1.7
183.89883	0.3
191.05605	49.8
192.05984	3.1
193.06026	1.6
226.06537	0.3
295.06165	0.4
337.09305	28.8
338.09653	0.3
339.05093	0.7
355.10175	0.6
513.10547	0.4
693.19116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01362	1.8
67.01891	1.3
69.03458	0.3
69.79192	0.2
69.89098	0.2
70.62865	0.1
71.01360	1.3
73.02940	0.2
81.03442	0.4
83.05034	0.3
83.81493	0.2
85.02934	11.0
86.42060	0.2
87.00858	3.8
88.50424	0.2
92.63579	0.2
93.03429	12.8
99.04499	0.2
101.43132	0.2
109.02950	1.0
111.00883	0.3
111.04493	2.4
119.05003	0.3
127.03972	3.2
135.38919	0.2
137.86111	0.2
155.03445	0.4
171.03001	0.4
173.04527	5.8
185.06148	0.2
191.05595	100.0
192.05943	1.1
195.08163	1.1
197.09772	0.7
202.89751	0.2
211.07674	0.2
222.17419	0.2
223.07613	0.3
239.10757	1.2
283.09628	0.3
285.07718	0.2
315.72275	0.2
415.13742	1.0
457.14856	1.0
501.14020	10.8
548.78406	0.3
693.20245	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	693.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01369	2.1
60.99310	0.2
61.13178	0.2
67.01892	1.3
69.03463	0.3
71.01386	1.0
71.67467	0.2
73.02939	0.3
81.03461	0.4
83.05025	0.6
85.02937	10.6
87.00872	2.6
92.10767	0.4
93.03439	10.2
97.81290	0.2
99.04498	0.2
107.97815	0.2
109.02945	1.1
110.80443	0.2
111.00861	0.4
111.04519	2.5
119.05058	0.2
123.98747	0.2
127.04019	2.4
129.01939	0.3
137.02435	0.3
155.03491	0.4
171.02994	0.8
173.04526	6.2
191.05600	100.0
192.05956	1.1
195.08185	1.1
197.09662	1.0
223.07642	0.4
233.06712	1.4
239.10757	1.4
241.08865	0.2
281.04608	0.3
283.09763	0.4
346.62787	0.2
457.14844	0.4
501.14023	9.6
530.53375	0.2
547.53772	0.2
558.05347	0.2
565.64221	0.2
693.20428	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	693.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01621	0.1
54.46597	0.1
55.59958	0.1
57.03451	0.2
59.01371	2.0
65.29633	0.1
67.01898	1.2
69.03459	0.2
71.01368	1.2
73.02942	0.6
81.03486	0.2
83.05009	0.3
85.02940	11.1
87.00863	2.8
92.10043	0.4
93.03442	9.3
99.04459	0.3
105.31558	0.2
108.02222	0.2
108.81200	0.2
109.02939	1.2
111.00861	0.2
111.04510	2.2
113.02480	0.2
119.05014	0.7
125.02426	0.2
127.03994	3.2
133.02919	0.3
135.04497	0.3
137.02455	0.4
155.03545	0.6
161.02489	0.7
171.02997	0.6
173.04533	4.3
191.05605	100.0
192.05995	1.8
193.06018	0.2
195.08144	0.3
197.09698	0.2
211.32785	0.2
223.07623	1.0
233.06572	0.3
239.10736	0.8
275.21948	0.2
286.12036	0.2
339.05151	0.3
382.38199	0.2
432.80096	0.2
457.15070	0.4
483.04810	0.2
487.11935	0.3
501.14133	8.0
574.66748	0.2
655.96216	0.2
693.20325	10.3
694.20703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95888	28.4
80.02687	1.9
81.03413	0.5
82.45055	0.4
83.05027	7.4
84.02161	2.0
94.77355	0.5
95.05029	0.8
96.96960	2.8
135.08159	1.0
147.07880	0.5
150.98026	0.6
152.99573	44.8
155.10834	0.5
163.11278	7.1
165.12857	4.2
171.00592	6.0
181.12315	0.6
191.10757	1.0
199.11801	0.6
209.11829	100.0
210.12215	1.1
213.76593	0.5
214.34824	0.7
227.03209	3.8
227.12910	6.1
245.04404	0.8
253.21738	11.5
363.12115	4.6
437.15854	2.5
455.16891	49.7
691.38306	51.6
692.38806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.4
61.98827	5.9
64.48493	1.0
74.69228	1.0
78.95894	1.8
87.00880	1.8
89.19180	1.1
93.03452	1.6
103.37833	1.3
113.03564	1.5
114.98837	1.3
117.03438	23.8
119.04994	14.2
121.02941	1.6
133.02904	1.3
139.34949	1.4
144.80351	1.1
145.02936	100.0
152.99574	1.5
161.02408	2.3
162.02872	1.3
191.05611	15.1
257.27328	1.4
285.69788	1.2
349.49670	1.3
350.02646	1.3
401.71503	1.3
421.89786	1.3
462.52307	1.2
587.37421	44.3
631.36389	2.4
691.38422	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	693.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12555	0.2
59.01379	1.1
66.02242	0.2
67.01881	0.4
69.03446	3.6
71.01387	0.6
78.95896	0.3
83.05013	0.2
85.02935	6.5
87.00869	1.6
89.03953	0.3
93.03446	4.0
94.03847	0.3
96.21822	0.2
97.02941	1.0
99.00854	1.0
105.03465	0.5
109.02943	2.3
111.04523	1.3
119.05029	2.3
120.05344	1.5
127.04018	1.8
133.02945	4.9
135.04498	1.4
136.05621	0.3
141.01881	0.3
153.01915	1.7
154.16730	0.2
155.03542	0.3
161.02420	2.7
163.04019	3.1
164.04332	1.4
165.04611	0.3
171.03024	0.3
173.04497	1.9
176.01151	0.4
177.01906	43.7
178.02260	0.3
179.03468	1.0
185.00885	1.7
191.05597	100.0
192.05943	4.4
193.06071	3.1
193.47638	0.2
200.00151	0.3
203.01956	1.7
215.05522	0.3
219.02849	0.4
262.14865	0.3
337.09317	0.8
338.09552	0.4
339.03604	1.8
339.07181	13.6
351.07251	0.6
353.04471	0.5
353.08749	12.5
354.09149	0.5
355.09305	0.6
573.34778	0.3
581.73572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
71.50397	0.7
78.95890	35.9
78.96344	1.4
80.02676	1.5
81.03447	1.7
83.05005	8.1
84.02162	1.1
90.92200	0.7
92.10171	0.8
93.85075	0.8
95.48513	0.6
96.96968	3.2
98.27901	0.8
109.06596	1.8
110.69181	0.7
135.08138	0.9
150.97971	0.8
152.99574	51.3
163.11276	9.2
165.12831	4.1
171.00624	6.4
181.12320	1.4
191.10822	1.6
199.13387	1.1
207.10223	1.2
208.10559	1.4
209.11838	100.0
225.11351	0.9
227.03345	5.4
227.12868	6.9
245.04338	1.3
253.21744	13.3
255.23309	4.0
363.12112	4.8
396.63232	0.9
418.03201	0.9
437.15576	3.0
455.16843	57.5
652.54962	0.9
691.38245	68.7
692.38354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66785	0.4
78.95889	28.2
80.02683	1.9
81.03451	2.1
83.05016	6.9
84.02158	2.4
92.10109	1.2
95.04979	0.6
95.36639	0.5
96.96934	4.1
114.72243	0.5
125.06039	0.7
127.53565	0.5
135.08133	0.7
150.97893	0.8
152.99565	45.3
163.11273	7.0
165.12799	4.9
171.00656	3.9
181.12248	0.8
191.05550	0.8
191.10764	1.3
209.11821	100.0
210.12160	1.0
214.10715	0.5
227.03264	2.3
227.12849	5.2
245.04263	0.8
253.21693	10.0
302.05905	0.6
363.12283	4.2
387.48203	0.6
437.15823	2.6
452.83838	0.6
455.16858	42.2
691.38269	51.7
692.38635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73006	8.0
54.46067	8.0
56.93021	8.1
58.06702	7.4
59.01369	20.0
59.41169	7.2
62.55586	7.0
64.60658	9.0
71.01368	10.6
78.95887	8.6
92.54800	9.6
96.95995	100.0
96.96926	13.0
109.06569	11.5
109.07565	11.2
117.60167	9.7
119.96438	8.9
121.02927	17.1
151.96021	9.3
163.11249	9.7
174.77269	9.8
183.13853	11.8
191.05612	84.4
207.10222	66.5
211.13383	59.3
225.11398	33.4
275.72806	9.0
282.98395	9.7
347.81863	10.6
419.24222	11.6
427.60785	11.7
485.32861	40.8
591.39911	11.7
637.32172	65.4
655.33264	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.5
60.01291	3.3
61.55533	4.1
61.98822	18.4
71.01363	7.0
72.39911	4.1
78.95902	5.6
92.10720	5.3
93.03428	10.0
95.05054	4.4
191.03870	6.9
191.05574	68.2
209.11833	100.0
211.13353	6.8
227.12769	9.8
445.20880	5.2
637.31445	6.5
691.19330	6.8
691.31305	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12628	8.6
54.81654	9.4
59.01396	23.4
61.98832	27.9
64.05027	11.1
74.53566	12.0
78.95896	10.8
87.21146	10.7
92.03767	13.1
93.03459	14.7
109.06607	15.7
124.07921	11.6
154.75693	10.9
163.11284	14.6
191.05608	100.0
207.10309	82.3
209.11821	65.6
211.13405	86.3
225.11270	27.1
383.22513	14.7
384.02509	12.3
445.35599	12.7
637.32227	87.6
655.33215	66.0
691.18634	15.3
691.30438	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68024	0.6
57.03453	4.4
57.03709	0.7
59.01385	1.0
59.66685	0.6
60.08497	0.7
64.65072	0.6
67.01891	3.9
69.03451	1.3
71.01381	3.3
76.56316	0.6
81.03447	5.6
83.01357	5.8
85.02950	10.6
87.00868	7.0
93.03439	21.0
95.01378	1.1
95.05006	7.5
96.95987	1.2
97.02933	10.4
108.02145	1.7
109.02934	44.9
111.04503	4.5
115.00359	3.8
119.99706	0.9
121.02928	6.7
122.03719	2.8
123.04490	33.5
125.02422	26.9
127.03999	3.2
135.04500	4.3
137.02415	15.2
138.03195	1.7
139.03966	7.6
143.00726	1.0
145.02998	2.3
146.03714	2.9
147.04428	0.9
147.68439	0.7
149.02411	7.8
150.03165	1.4
151.03976	17.8
155.03450	1.0
157.06573	0.9
159.04527	5.7
160.05269	3.4
161.06061	8.2
162.03217	1.7
163.03978	3.6
164.01123	6.1
165.01906	6.8
167.03473	3.9
173.04552	11.8
173.05930	1.4
175.03987	4.6
175.07597	3.9
177.05666	0.8
179.03481	8.7
185.06088	1.5
187.04010	9.4
188.04762	7.7
191.05602	81.8
192.05917	1.3
201.05492	0.9
202.06348	4.4
203.05428	1.3
203.07149	20.8
205.05057	12.6
217.08673	1.3
221.08205	7.3
226.06339	3.1
227.07106	9.7
230.05775	1.2
245.08124	24.5
247.06171	0.8
255.10246	3.6
263.07034	1.0
266.05634	0.9
267.54562	0.9
271.06161	1.3
279.06781	1.0
281.02087	0.8
281.08163	1.2
289.07190	100.0
290.07520	1.5
290.66101	0.8
307.06134	3.0
463.10736	2.7
499.12604	1.4
614.98688	0.7
691.18677	21.4
692.19305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40511	0.2
57.03439	0.3
59.01379	1.4
60.99303	0.3
65.41206	0.2
67.01886	1.8
69.03464	0.3
71.01367	1.9
71.39765	0.2
73.02940	0.2
79.14375	0.2
81.03447	1.0
83.05025	0.8
85.02937	8.2
87.00859	4.6
93.03436	13.6
99.04523	0.3
108.02155	0.3
109.02953	2.6
111.04510	2.5
113.02453	0.2
115.00345	2.1
117.03477	0.2
119.05021	1.1
122.03754	0.3
127.03993	3.1
129.01874	0.3
133.02937	0.5
135.04506	3.1
137.02438	0.3
143.03546	0.3
153.94807	0.2
155.03471	1.0
161.02412	3.4
163.04004	1.0
171.02974	0.9
173.04532	8.8
179.03477	1.5
191.05600	100.0
192.05923	0.4
225.05611	0.8
226.06404	1.1
227.07129	3.5
253.08685	0.3
255.10272	4.2
266.00156	0.2
269.54758	0.2
279.06464	0.2
281.08115	2.0
289.05634	0.5
307.06110	1.1
310.83151	0.2
337.09052	0.9
343.08243	0.3
353.08630	1.6
371.09567	0.3
424.76236	0.2
463.10718	0.5
499.12460	1.1
517.13458	1.2
688.61511	0.2
691.18787	21.2
692.18829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03513	0.1
59.01379	0.4
64.79529	0.2
67.01886	0.2
67.19102	0.2
71.01373	0.8
73.02915	0.2
83.05005	0.3
85.02938	6.9
87.00869	1.5
93.03436	2.9
99.04474	0.2
109.02940	0.9
111.04493	1.1
127.03985	2.1
133.02930	1.0
135.04477	0.3
137.67288	0.2
155.03386	0.2
161.02423	2.6
170.64720	0.2
171.03032	0.3
173.04500	1.4
191.05598	100.0
192.05922	1.0
227.07155	0.2
283.14694	0.2
317.62372	0.2
353.08777	11.4
455.84219	0.2
588.03717	0.2
691.18866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49228	0.3
50.88101	0.3
53.66388	0.3
57.03464	0.6
59.01392	1.6
60.99310	0.7
67.01884	2.7
69.03467	0.6
69.95655	0.4
71.01365	3.5
71.12593	0.4
77.03983	0.3
78.31668	0.3
81.03454	0.7
83.01393	0.4
83.05025	0.8
85.02937	12.8
85.03410	0.6
87.00865	9.5
93.03441	26.2
96.96001	2.3
97.02962	0.6
99.00871	0.7
99.04498	0.6
108.02177	0.6
109.02943	7.6
111.04506	5.4
114.43288	0.4
115.00346	3.5
117.01964	0.4
120.34788	0.4
121.02959	0.4
123.04494	2.2
125.02419	2.4
127.04000	3.9
137.02382	2.5
151.04065	1.2
155.03487	2.0
159.04425	0.6
161.06082	0.8
171.02997	1.7
173.04532	20.0
173.06038	0.7
179.03514	0.5
185.05981	0.4
187.04063	0.8
188.04900	0.5
191.05602	100.0
192.05949	0.7
203.07146	1.9
205.05066	0.9
213.26231	0.4
221.08145	0.6
225.05583	0.6
226.06390	2.8
227.07146	7.3
234.51308	0.4
245.08185	2.2
253.08708	0.5
255.10165	5.9
263.06934	0.5
266.05698	0.8
271.04456	0.6
279.06573	0.5
281.08066	3.1
289.07422	6.9
307.06100	4.4
325.07159	0.5
329.52277	0.4
337.26328	0.5
353.08865	0.6
360.95032	0.4
463.10794	4.6
464.49237	0.4
499.12366	2.2
517.13794	1.5
691.18762	31.9
692.19171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81286	0.5
56.28316	0.4
59.01369	2.4
60.99289	0.6
67.01896	2.3
69.03428	0.5
71.01378	2.4
79.95744	2.3
81.03448	0.5
83.05058	0.6
85.02945	11.8
87.00863	6.4
93.03440	16.6
96.95996	100.0
100.64890	0.5
108.02171	0.6
109.02967	2.9
111.04512	3.3
113.98838	0.5
115.00358	0.8
119.05019	1.9
125.02461	0.5
127.03995	3.1
133.02934	3.9
134.03644	1.4
135.04514	13.4
137.02403	0.5
160.01714	0.8
161.02446	16.5
163.03999	0.8
171.03044	1.0
173.04536	7.3
175.03990	2.2
179.03435	4.2
182.16875	0.4
190.59171	0.4
191.05611	97.6
192.05930	1.9
193.05046	0.8
226.06345	0.7
227.03380	0.9
227.07129	1.9
255.03036	1.0
255.10213	3.2
281.08115	0.6
284.03464	0.7
285.04126	1.1
307.05920	0.9
337.09354	2.3
343.08331	0.7
353.08945	5.8
499.12515	7.4
517.13977	1.1
555.66693	0.6
593.15356	0.9
603.20007	0.7
691.18719	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	691.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01390	1.8
60.99319	0.5
65.09364	0.2
67.01897	1.8
71.01378	2.4
83.05040	0.5
85.02937	12.4
87.00864	6.1
93.03438	16.1
103.21979	0.3
108.02156	0.4
109.02930	2.3
111.04514	3.8
115.00376	1.9
119.04995	1.0
121.02895	0.3
123.04523	0.3
127.04031	2.5
129.01910	0.4
135.04523	1.5
155.03494	1.1
161.02435	1.1
163.04022	0.5
171.03038	0.4
173.04520	9.3
179.03513	0.5
191.05609	100.0
192.05887	1.3
210.68619	0.3
226.06342	2.0
227.07155	7.2
253.08649	0.6
255.10234	4.4
281.08234	1.2
289.05579	1.3
307.06186	1.7
343.08093	0.5
353.08780	1.1
403.13840	0.4
463.10938	1.1
499.12518	0.6
517.13611	1.3
623.84485	0.3
691.18750	28.7
692.18707	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	691.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
60.99297	0.7
67.01897	2.4
69.03457	0.5
71.01365	2.4
73.02927	0.3
75.84206	0.3
82.28838	0.3
83.05011	0.7
85.02943	9.9
85.03430	0.6
87.00857	5.5
88.96048	0.3
93.03436	19.6
96.43924	0.3
99.00914	0.4
99.04498	0.5
108.02163	0.7
109.02937	3.8
111.04522	3.9
115.00344	2.9
119.05015	1.8
122.03736	0.6
127.03964	2.8
129.01907	0.6
133.02928	0.7
135.04506	4.8
137.02437	0.4
145.02989	0.5
155.03458	0.7
161.02377	3.3
161.33231	0.3
163.04054	0.7
168.14885	0.3
171.02960	0.5
173.04539	11.5
179.03476	2.9
191.05602	100.0
192.05974	0.7
226.06316	1.6
227.07074	4.9
255.10243	10.2
255.12708	0.5
281.08261	1.3
281.67490	0.3
289.05679	2.0
307.05988	0.8
325.07022	0.4
337.09497	0.6
343.08295	0.5
353.08835	1.8
463.10538	0.5
499.12292	0.6
517.13513	2.7
691.18829	32.1
692.18762	2.3
722.54840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77982	1.1
50.89380	1.3
59.01374	11.2
62.18778	1.2
67.85085	1.2
73.94874	1.3
78.95889	54.1
80.02695	1.5
81.03455	2.0
83.05022	6.9
84.00426	1.2
89.44872	1.2
96.96960	6.1
97.02925	10.6
109.05820	2.7
109.06570	68.0
117.29943	1.4
118.99977	1.3
121.06541	3.2
134.98534	1.5
135.08151	7.2
142.02742	6.0
152.99568	89.2
161.09671	2.0
163.11258	32.9
170.99408	1.5
171.00609	11.0
181.12263	10.5
207.10262	91.5
225.11304	47.2
227.03239	7.8
245.04330	2.2
253.21727	25.8
255.23242	5.6
281.24771	5.4
282.25208	2.6
361.10425	6.3
435.14264	7.8
453.15302	100.0
538.20624	1.5
689.36731	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54508	1.1
58.48133	1.1
59.01381	10.3
78.95895	63.9
80.02672	1.8
81.03444	4.6
83.05039	6.4
96.96948	6.7
97.02938	7.1
109.06583	58.8
110.03723	2.4
121.06581	4.6
135.08131	7.0
142.02695	1.7
152.99574	82.8
161.09731	1.8
163.11267	29.5
171.00639	5.6
181.12296	11.2
207.10263	76.6
208.61961	1.4
225.11316	40.3
227.03258	7.4
245.04320	2.4
253.21733	22.7
361.10645	5.9
435.14252	4.6
453.15323	100.0
454.15710	1.9
488.88330	1.5
689.36694	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.39
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85679	2.2
58.00591	2.0
59.01375	100.0
59.52097	2.1
61.98822	4.4
63.95926	2.2
71.01379	14.9
85.02936	3.0
92.10825	13.8
93.03456	15.8
96.95996	3.9
97.92158	2.2
102.44720	3.0
135.04517	4.9
171.10324	3.2
183.13919	5.7
191.05594	46.0
192.05893	3.0
197.11873	3.4
199.09602	2.6
207.10262	2.7
209.11836	14.2
225.11308	3.5
229.01244	3.2
343.93198	3.1
352.07605	2.8
395.37466	2.7
403.30032	2.9
405.31613	17.7
421.31262	31.3
423.32837	36.5
437.30579	15.9
441.33832	3.9
455.31720	74.4
465.30145	11.3
467.31662	26.4
473.32718	13.3
499.30798	10.6
607.30481	2.8
671.32794	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	691.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.2
57.81368	0.1
59.01383	1.0
66.54839	0.1
67.01902	1.0
69.03449	0.2
71.01376	1.4
73.02927	0.2
81.03462	0.3
83.01395	0.2
83.05028	0.2
85.02945	8.0
87.00874	3.2
93.03443	7.9
99.00869	0.7
99.04489	0.3
101.02440	0.2
105.03465	0.2
109.02948	1.5
111.04526	2.3
113.02455	0.2
115.00356	1.2
119.04998	1.1
127.03994	2.2
132.23097	0.2
133.02946	2.5
135.04506	1.8
137.02411	0.3
144.82492	0.2
149.06023	0.2
150.31992	0.1
155.03467	0.3
161.02408	2.8
163.04013	1.8
168.16608	0.2
171.03000	0.3
173.04521	3.7
175.02452	0.3
177.01924	1.1
179.03487	1.2
191.05603	100.0
192.05888	0.8
215.05505	0.6
226.06511	0.2
227.07120	1.7
233.04504	0.6
255.10286	1.9
277.03555	0.9
281.08221	0.3
285.08643	0.1
289.05746	0.2
290.17276	0.1
307.06049	0.3
319.04434	0.3
325.07132	0.2
337.05731	0.3
337.09363	1.0
351.07211	1.1
353.08795	6.7
439.29684	0.2
499.12759	0.3
517.13287	0.4
621.75134	0.2
691.18805	9.4
692.18585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03439	1.1
58.00602	0.7
59.01374	11.9
61.98828	1.2
64.33592	0.5
65.09041	0.5
66.54550	0.5
67.01925	0.5
69.03455	0.8
71.01369	66.3
71.05019	0.8
73.02947	3.3
74.26742	0.4
80.02680	2.6
81.03436	4.4
83.01389	0.6
83.05022	7.2
84.02174	2.3
85.02939	3.7
87.00879	2.1
87.88983	0.5
89.02396	3.8
93.03436	3.1
95.01347	0.6
95.05022	2.8
96.95995	1.0
97.02919	4.7
97.06548	0.5
99.00844	0.6
101.02428	4.6
106.04187	0.6
107.05029	0.6
109.02963	0.7
109.06578	12.8
111.04499	0.6
113.02434	2.6
119.03498	0.7
121.06541	0.9
121.56608	0.5
123.04507	0.6
123.08102	1.0
125.02412	0.7
125.06107	0.7
125.09705	2.1
127.11250	2.4
135.04501	2.4
135.08096	3.6
136.05229	0.9
137.02399	0.5
139.07651	0.6
142.02647	0.8
150.03180	0.6
151.03857	0.5
155.10701	1.6
157.24979	0.5
159.04463	0.5
161.04521	1.0
161.09721	1.1
163.11275	13.7
165.12833	3.1
165.80222	0.5
171.10240	22.6
179.10762	0.8
181.08601	0.6
181.12404	3.5
185.11804	2.5
189.01868	0.6
189.09225	0.8
191.05597	9.1
191.10744	0.9
192.05940	0.6
197.11850	0.8
199.09772	0.6
199.13412	0.8
201.11346	8.6
207.10255	29.0
209.11821	100.0
210.12148	1.1
211.13483	0.9
213.79855	0.5
215.12874	0.6
225.11320	22.6
227.12874	7.7
235.08278	2.2
243.12325	0.8
249.11176	0.5
253.09253	7.1
261.50967	0.6
299.15207	0.7
341.06839	0.7
363.57321	0.6
399.21970	0.6
404.03625	0.5
417.22705	0.8
461.20465	5.7
536.69098	0.6
586.64398	0.5
653.32172	1.0
671.33276	2.3
672.34216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59518	1.2
54.81700	1.4
55.26724	1.1
57.03461	1.1
58.00604	1.6
59.01388	12.8
62.32408	1.4
67.01887	2.1
71.01384	6.6
73.02947	1.6
80.02668	1.6
83.05037	3.3
83.18317	1.4
85.02939	13.9
87.00887	6.0
93.03432	19.3
96.95991	1.8
97.02945	5.8
99.00869	6.5
101.02428	2.2
109.02955	2.6
109.06600	3.6
111.04526	2.5
113.02501	1.5
125.09673	3.5
127.03947	1.5
135.04504	7.9
135.08163	1.9
137.02383	6.2
150.03224	1.5
160.05330	2.8
161.02365	1.9
161.05807	1.8
163.11287	12.6
169.12323	1.8
171.10277	13.9
173.04546	3.3
175.07613	2.2
179.03413	1.5
181.12332	10.6
191.05594	100.0
191.88077	1.6
192.05940	3.4
197.11746	1.8
199.13362	6.5
201.11424	1.7
204.18097	1.8
207.10246	21.8
209.11832	51.3
225.11284	20.6
227.12877	3.0
229.01270	1.9
243.12279	7.0
253.09418	3.5
279.06635	2.1
329.13895	8.7
330.14099	2.3
461.20380	2.5
479.21246	2.1
600.94061	1.7
671.33124	1.9
680.24524	2.1
689.33868	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47732	0.4
51.78469	0.4
57.03441	0.5
59.01389	2.7
66.92689	0.4
67.01900	0.9
71.01388	0.9
72.99306	0.6
73.02960	0.4
81.03465	0.6
83.05034	0.9
85.02938	14.3
87.00866	7.0
92.10162	2.1
93.03436	16.6
96.96019	0.6
109.02953	1.1
111.04509	2.7
121.02929	0.8
121.59444	0.5
127.03986	3.9
133.02965	0.8
142.92650	0.5
145.02885	0.9
145.06531	0.5
146.03729	4.0
147.04486	6.7
157.02946	0.5
159.04460	0.9
161.02370	0.8
173.02419	0.5
173.04532	4.2
173.05966	1.0
185.02345	4.1
186.03212	0.7
189.05583	0.9
190.02719	0.7
191.05594	100.0
192.05940	0.7
195.08131	0.5
209.06111	0.6
221.06023	2.1
223.07614	3.6
229.01451	0.6
232.05276	1.7
233.06119	4.9
235.06055	2.8
236.04826	0.7
236.15144	0.5
237.05573	1.0
248.04813	1.0
249.05498	4.9
250.06364	2.1
250.82370	0.5
251.07103	11.7
252.07954	0.5
253.06612	0.5
253.08658	2.7
256.58432	0.5
260.04822	1.0
261.05521	9.5
262.06168	1.1
276.04233	2.3
277.02631	0.6
277.05020	16.1
278.05792	6.3
279.06592	32.8
305.04529	28.5
305.08060	0.9
321.04037	0.9
322.04742	0.7
323.05591	19.4
323.09274	0.7
497.03992	0.7
497.10925	17.3
497.18054	0.6
515.11859	0.8
689.17120	27.3
690.17572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.1
59.01370	0.9
67.01901	0.2
69.03437	0.1
71.01376	0.4
72.47248	0.1
74.67745	0.1
75.00874	0.1
79.97251	0.1
80.61537	0.1
81.03448	0.1
83.05037	0.2
83.23279	0.1
85.02423	0.2
85.02944	5.0
87.00877	1.2
92.63423	0.1
93.03444	3.5
93.71205	0.1
96.12447	0.1
99.04517	0.2
109.02940	0.8
111.04510	1.4
121.02937	0.1
127.04008	1.7
133.02917	1.0
135.04494	1.5
137.02405	0.6
147.72232	0.1
153.98463	0.1
155.03465	1.0
161.02414	3.9
171.02965	0.5
173.04533	4.4
173.06023	0.2
179.03487	1.3
191.05598	100.0
192.05971	1.0
196.35341	0.1
235.31076	0.1
253.88739	0.1
288.78323	0.1
335.07773	0.7
353.08768	10.5
417.33212	0.1
516.97192	0.1
527.14026	11.6
528.14197	0.5
556.66302	0.1
689.17151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	71.7
61.98850	28.0
71.01372	25.5
88.58140	17.9
92.10814	36.5
101.02420	20.2
103.69854	17.0
109.06543	16.9
183.13820	17.5
191.05598	86.0
207.10236	100.0
209.11810	73.3
211.13370	36.0
225.11334	24.1
288.93311	22.2
414.47565	20.6
454.29880	19.7
617.30573	22.9
635.30505	34.0
653.32111	37.3
689.29224	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21183	5.8
53.65981	5.1
54.81240	5.5
78.26184	7.3
78.95904	49.0
85.67449	5.7
130.09390	7.7
152.99583	61.5
195.13890	38.1
205.12335	15.7
211.55675	6.4
223.13339	79.9
253.21727	12.3
281.24835	43.4
335.67795	6.8
369.76068	7.7
435.74561	8.0
451.17343	100.0
535.50116	8.7
687.38721	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43386	0.5
59.01381	3.4
67.01878	1.0
71.01366	1.3
83.05013	0.7
85.02937	18.0
87.00867	5.0
92.10164	3.5
93.03434	8.1
94.11546	0.7
96.96003	1.5
99.04500	0.7
109.02946	1.4
111.04497	1.4
115.00367	1.2
119.04984	1.2
127.03986	3.4
129.03473	0.8
133.02960	0.8
143.04968	2.9
145.02924	4.9
146.03749	3.3
147.04491	5.9
157.02951	7.7
158.03795	0.6
159.04486	6.6
161.02415	5.1
163.03987	13.2
171.03081	1.0
171.04526	6.4
172.01680	1.2
173.02414	22.3
173.04544	6.5
174.03217	8.7
175.03978	19.0
183.04448	4.1
185.02406	6.3
187.03967	9.6
189.01939	3.5
191.05594	100.0
198.03235	1.1
199.04018	10.0
201.01930	35.7
201.05545	1.7
202.02612	1.3
203.03476	8.6
211.03960	1.6
213.01932	6.2
215.03491	6.3
216.00600	3.5
217.01526	5.2
217.05043	1.0
219.02965	11.8
219.93367	0.8
226.02646	0.9
226.07516	0.8
227.03513	12.6
229.01389	9.8
229.05049	3.3
230.02071	1.7
231.02979	11.2
241.01389	1.2
243.02974	9.5
245.00867	4.3
247.02403	4.0
251.06950	0.9
255.02983	14.6
257.00919	13.0
258.01721	1.0
259.02463	6.9
271.02405	3.3
273.04071	3.5
275.01990	3.6
277.03598	0.9
279.06558	1.6
287.02029	1.6
299.01855	10.7
305.04395	1.3
317.02994	36.1
335.04074	9.5
421.07675	3.7
449.07239	4.4
491.08398	6.9
509.09363	44.4
622.87231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49398	0.5
51.56179	0.5
52.96141	0.6
57.03444	1.2
59.01378	9.7
61.98837	1.3
63.76719	0.6
68.99822	3.1
69.03452	0.8
71.01374	18.0
72.99298	1.0
73.02936	1.2
79.31145	0.7
80.02673	0.8
81.03456	2.9
82.53416	0.7
83.01391	1.7
83.05013	9.8
84.02180	0.8
85.02940	5.1
87.00889	1.0
89.02425	4.9
95.01378	1.1
95.05035	1.5
97.02928	1.7
97.06594	1.3
99.00886	0.8
101.02382	5.2
109.02962	1.3
109.06596	3.9
110.03745	3.4
111.00897	0.9
111.04498	10.7
113.02442	4.5
119.03503	0.6
121.06659	0.7
122.03711	1.0
123.04479	1.1
123.08165	1.6
125.06127	1.2
125.09707	4.1
135.08165	3.0
136.05304	0.8
149.05901	0.7
150.36552	0.7
151.11278	5.1
153.09236	1.4
161.04642	0.8
161.09685	7.6
163.11255	7.2
165.12790	2.5
170.17410	0.7
171.10245	24.1
176.62158	0.7
177.09198	4.1
179.10738	9.3
181.12317	1.4
185.11853	3.9
187.09879	0.8
191.05620	6.5
191.10773	1.0
195.10231	0.9
197.11810	4.2
199.09811	1.0
205.08656	9.9
207.10208	6.9
209.11832	100.0
210.12219	1.1
213.11322	4.3
223.09760	29.2
225.11327	4.5
227.12891	11.9
235.08183	3.1
241.10803	3.9
253.09268	7.3
281.24863	1.0
309.15009	0.7
459.18884	4.6
465.35855	1.0
477.19305	1.1
487.33932	1.5
489.35760	4.5
581.29175	0.7
625.29199	0.8
651.30182	2.9
651.39575	0.9
652.31146	0.8
669.31415	5.1
687.31976	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	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03431	1.1
59.01372	10.0
62.18621	0.6
65.23878	0.6
68.46355	0.6
68.88538	0.6
69.03439	7.3
70.55609	0.6
71.01366	7.1
71.05009	2.5
72.78762	0.6
73.02917	1.0
80.02665	1.2
81.03452	1.5
83.01381	1.3
83.05022	7.8
83.73534	0.7
84.02171	2.8
85.02951	3.5
87.00861	1.4
87.35059	0.6
89.02440	5.4
90.16672	0.6
95.04993	1.4
101.02409	5.4
113.02428	2.9
123.08131	1.5
125.09717	4.1
127.30468	0.6
147.11807	0.8
151.11247	3.7
153.12798	1.3
161.04532	1.3
161.09700	4.5
163.11267	6.6
163.52182	0.6
165.12862	4.7
179.10741	10.9
191.05579	7.1
191.10828	1.2
197.11816	94.0
198.12155	0.6
207.10194	1.5
209.11819	80.3
210.12241	1.1
210.21242	0.7
223.09779	1.2
225.11249	1.3
227.12935	3.4
241.10817	4.3
253.09242	4.9
259.29398	0.6
477.19873	4.0
509.75320	0.8
635.92542	0.7
687.32318	100.0
688.33026	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	687.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81987	0.5
57.03444	0.7
58.68162	0.5
59.01379	4.4
59.82544	0.5
69.03429	0.6
71.01375	4.1
81.03448	0.9
83.04996	1.2
85.02929	4.9
87.00870	1.0
89.02447	0.8
93.03432	3.7
99.04461	0.7
101.02415	2.7
106.90659	0.5
109.02914	0.7
109.06639	0.7
111.04508	0.8
120.99627	100.0
123.04547	0.7
125.02412	0.5
127.03987	0.7
135.04478	1.0
137.02438	1.1
145.02943	1.0
147.04550	0.7
150.03267	0.7
151.03987	0.8
159.04527	0.7
160.05295	5.6
161.04585	0.8
161.06024	0.7
163.03983	1.1
163.11244	1.0
165.01906	0.8
165.12720	0.8
169.12325	6.7
171.10245	2.3
173.04414	0.9
175.07616	4.5
177.05495	0.9
178.06320	0.7
191.05600	24.0
192.05988	0.9
197.11824	11.9
207.10294	1.1
209.11815	25.3
211.04306	0.8
223.09723	0.9
225.11263	0.7
227.03291	0.7
227.12784	1.1
329.13943	9.1
376.73962	0.6
394.36963	0.6
687.32251	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	687.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31057	0.1
51.36113	0.1
59.01374	1.3
60.06410	0.1
60.96655	0.1
62.20873	0.1
64.71447	0.1
65.94059	0.1
66.95661	0.1
67.01882	0.3
69.03465	0.2
71.01379	0.9
73.02927	0.2
83.05033	0.3
85.02938	7.6
87.00858	1.1
89.23324	0.1
92.10807	0.5
93.03436	3.4
93.12312	0.1
99.04486	0.1
109.02940	1.1
109.58279	0.1
111.04487	1.0
113.02383	0.1
114.36172	0.2
125.02487	0.2
127.03987	1.8
133.02936	1.7
135.04501	2.0
137.02466	0.2
155.44554	0.2
161.02408	4.4
171.02927	0.4
173.04527	1.6
179.03511	0.6
182.54002	0.1
191.05602	100.0
192.05957	0.8
242.05910	0.2
271.09836	0.4
339.04901	0.2
353.04480	0.3
353.08789	8.8
463.90915	0.2
570.14581	0.2
687.28741	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	687.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33249	0.3
57.03445	0.5
57.76615	0.3
59.01373	2.7
60.99296	0.8
67.01878	5.6
69.03453	0.9
71.01355	3.9
81.03452	0.8
83.05030	1.6
85.02934	3.5
87.00872	2.4
93.03436	37.5
108.87711	0.4
109.02946	2.0
111.04513	7.5
116.00802	0.5
119.05003	18.0
120.05374	0.6
127.03971	0.5
129.10561	0.4
133.02950	0.6
135.04550	0.4
137.02435	5.2
145.02989	0.4
155.03467	5.2
160.01622	1.7
163.03993	23.1
173.04524	100.0
173.93892	0.4
174.04865	0.9
175.03963	1.6
191.05605	26.4
192.05992	0.7
277.04932	0.6
293.04797	0.5
321.03964	1.8
337.09293	32.1
338.09662	0.9
376.18317	0.4
478.73135	0.4
631.80280	0.4
669.64777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81649	1.2
54.90632	1.0
57.03452	0.9
59.01375	7.6
60.34798	1.0
61.07655	1.4
61.98835	1.8
71.01378	2.6
72.56697	1.1
83.05000	1.1
85.02956	6.3
89.02435	1.1
93.03431	2.5
96.95984	4.8
101.02428	5.1
107.05028	1.2
109.02944	4.7
111.61860	1.2
113.02430	1.9
116.45491	1.2
116.92798	1.7
120.99585	2.9
121.02900	4.5
122.03723	1.8
123.08131	1.1
135.04494	8.0
135.08083	1.1
135.87608	1.2
136.01660	1.3
137.02408	2.3
139.11258	2.1
142.65933	1.2
143.05070	1.8
144.18126	1.1
147.04492	2.7
149.02379	1.5
150.03186	8.0
158.03690	2.4
159.04477	14.7
160.05278	43.6
161.04683	1.4
161.06030	10.5
163.03964	7.8
163.11249	1.8
164.04749	6.7
169.12302	5.2
171.10202	4.7
173.04703	1.4
173.06090	5.0
175.07614	37.4
175.37505	1.1
177.05586	8.3
178.06317	8.6
180.23915	1.3
183.10252	12.7
191.05620	33.1
191.07179	1.7
193.08582	4.7
197.11807	6.1
204.72952	1.1
207.10260	5.3
209.11877	13.0
223.09795	1.4
225.11324	6.0
227.12631	1.1
238.06564	1.2
329.13928	100.0
330.14340	2.3
359.14905	1.5
457.33020	2.7
459.14728	1.4
459.67245	1.3
487.33963	5.0
521.65405	1.4
637.01251	1.4
687.32458	13.2
702.65533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.8
71.05007	1.6
75.98088	0.7
79.45434	0.6
85.02946	0.8
85.10122	0.6
92.10845	1.5
125.09706	0.9
125.38756	0.8
138.30901	0.7
145.02913	3.5
158.94070	0.7
161.02458	1.0
191.05617	2.9
227.20074	0.8
242.34526	1.0
321.63477	0.7
358.32297	0.8
413.34384	1.3
457.33188	5.7
503.33783	100.0
504.34015	3.5
505.34158	1.1
649.37311	3.2
686.93988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
67.01888	1.3
71.01383	0.5
73.95400	0.2
80.51932	0.2
81.03436	0.3
83.05034	0.3
85.02938	5.7
87.00861	2.5
93.03439	9.9
108.02180	0.6
108.35061	0.2
109.02956	1.3
111.03860	0.3
111.04485	2.1
115.17374	0.2
122.52126	0.3
127.03994	1.4
129.01932	0.2
133.02945	1.1
135.04501	9.3
137.02419	1.1
152.01193	0.4
153.01884	0.4
153.05576	0.4
155.03473	0.5
161.02431	3.3
171.03043	0.3
173.04523	7.7
179.03520	0.5
191.05602	100.0
192.05957	1.4
193.06041	0.3
315.07364	0.3
341.08725	1.2
353.08878	3.0
371.09827	29.0
372.10068	0.5
384.81720	0.3
467.37973	0.3
494.10886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75707	1.6
55.46014	1.5
57.03439	2.7
59.01381	2.6
61.98817	2.5
71.01377	2.3
71.05012	9.5
79.08778	2.1
85.02941	2.0
85.06624	2.5
92.10876	6.0
96.96049	2.1
104.66377	2.4
104.71940	1.8
108.62829	1.8
109.02891	2.1
135.04570	2.8
161.02379	2.5
161.70668	1.9
170.25439	1.9
191.05614	11.1
197.02148	3.1
386.65161	2.1
386.69949	2.6
423.32770	3.9
439.32291	4.7
441.33807	42.9
442.33649	2.7
443.35181	34.1
455.31528	3.3
457.33133	10.6
473.32855	34.7
475.34232	100.0
476.34503	4.7
485.32956	14.6
487.34320	39.7
519.33527	3.7
555.16394	2.2
685.37512	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.0
61.98833	15.7
71.01383	2.5
80.10357	1.9
101.54214	2.3
110.16930	2.3
136.05278	2.5
152.14694	2.3
152.36455	2.2
181.07143	10.8
191.05550	9.4
286.61667	2.5
322.37488	2.4
343.29654	2.3
421.30621	3.9
422.69800	2.7
441.33710	9.8
463.34210	3.9
473.32651	3.8
485.32727	14.4
487.34695	9.1
503.33798	100.0
685.36328	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	685.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
71.05028	1.3
78.40041	0.5
85.02924	0.6
92.10199	1.0
116.25136	0.5
133.32973	0.6
135.04486	1.4
142.41928	0.5
191.05630	5.1
197.02217	4.5
216.30774	0.7
317.21899	0.7
426.12259	0.6
467.31842	1.2
469.33246	11.2
487.34308	100.0
488.34641	4.5
515.02869	0.6
591.96790	0.8
650.16614	0.7
685.37274	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
61.98823	4.4
70.80299	0.8
71.01372	1.2
101.02428	1.1
135.04509	1.1
177.85646	1.0
191.05603	6.1
197.02222	5.1
239.12466	0.9
279.23245	4.9
376.99268	1.0
424.44736	1.1
441.33658	1.2
485.32745	4.7
487.34296	100.0
488.34750	3.5
503.33228	2.2
685.25677	1.0
685.37262	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	685.372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50952	0.5
57.03446	0.6
58.00602	1.0
59.01377	3.0
60.99305	0.8
61.98832	1.2
64.87948	0.6
66.61224	0.6
67.01889	3.0
69.03449	0.6
70.91725	0.6
71.01385	2.6
73.02951	0.7
76.78832	0.6
85.02962	2.8
87.00878	3.7
89.78085	0.5
93.03440	16.8
96.96030	0.6
108.02151	1.0
109.02948	0.8
111.04549	1.3
116.92798	0.8
121.02944	1.4
124.01657	3.3
125.02431	1.4
133.02943	3.4
134.03705	8.3
135.04506	44.9
137.02461	1.0
150.03247	3.2
150.67210	0.6
150.80505	0.6
151.03990	6.9
160.01541	0.7
160.49744	0.6
167.89828	0.7
173.04552	4.5
177.01917	1.1
179.03477	11.0
191.05580	15.5
197.02222	6.2
275.09201	1.4
290.07886	0.7
307.08185	3.2
307.60480	0.6
308.08984	5.5
352.07977	15.7
377.28253	1.1
393.31644	0.8
419.54410	0.7
423.32654	7.1
425.34265	2.4
439.32019	1.2
441.33777	3.3
444.97934	0.8
449.14517	13.0
457.33307	1.0
467.31882	2.6
469.33249	6.4
487.34302	100.0
488.34662	4.2
685.37299	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65263	1.7
55.52373	1.8
56.83650	1.9
59.01377	9.1
61.98854	3.8
66.12627	1.8
89.02484	2.7
93.03442	3.5
96.96027	2.6
116.92809	2.1
119.28309	2.0
125.02370	3.4
125.65620	2.4
128.06990	2.1
133.60532	2.3
135.04510	2.3
144.14653	2.1
191.04024	2.5
191.05630	17.0
197.11787	3.8
209.11842	3.1
285.03870	2.6
441.33865	4.2
443.35458	12.2
457.33234	2.9
475.34293	19.0
485.32623	11.8
487.34314	100.0
501.31998	3.4
619.72852	2.4
639.27277	3.3
641.06812	2.3
685.28796	5.1
685.37140	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17979	1.0
59.01400	1.0
61.98829	8.3
69.70482	0.9
83.19971	1.0
83.65257	1.0
84.03559	0.8
87.89536	1.3
89.02422	0.9
92.10907	2.4
107.04994	1.1
118.29265	1.0
119.05009	1.3
132.78783	1.0
145.02924	6.1
181.07150	6.3
195.13731	1.3
363.26877	2.2
373.88760	1.2
377.28699	1.8
379.29968	4.7
391.30020	3.5
407.29657	1.7
409.31171	22.2
425.30869	2.4
427.32114	5.0
453.30038	10.5
455.31787	3.9
471.31012	4.2
474.84900	1.2
485.33273	1.7
501.32251	100.0
502.32584	5.3
647.35559	1.4
683.37140	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	685.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60275	0.5
61.26612	0.6
72.88435	0.6
74.12630	0.6
91.68639	0.7
117.03445	2.9
119.04977	0.9
133.02940	28.3
134.03693	2.8
135.04514	11.1
137.02405	3.0
140.62526	0.6
145.02921	7.5
161.02423	96.8
178.02751	0.6
179.03456	3.3
191.05524	0.9
255.23262	2.5
279.23306	5.8
300.35706	0.6
394.92926	0.7
472.35300	0.8
605.38489	2.8
631.35901	0.7
649.37482	100.0
650.37683	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	685.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41353	0.8
62.25158	0.8
66.49036	0.8
92.10166	4.0
96.91025	0.9
116.50222	1.0
117.03458	22.2
119.05060	7.8
121.02925	1.0
145.02950	100.0
163.03983	2.2
172.56145	1.0
191.05624	1.5
248.60162	0.8
282.73181	1.0
395.08496	1.0
483.92929	1.3
503.33292	1.7
647.36401	1.2
649.37488	54.2
650.37573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72790	3.1
50.91618	3.5
62.76612	3.2
78.05182	3.4
87.31350	3.4
117.03455	13.8
119.05002	76.3
121.02923	100.0
125.12063	4.6
133.02916	3.5
145.01846	4.3
145.02930	99.7
176.74211	3.8
191.05591	4.6
205.67955	3.8
242.33527	5.0
279.23114	4.4
341.25177	4.0
370.51999	3.9
445.99295	4.2
569.36523	23.2
586.72626	3.8
643.31073	4.0
649.37543	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00946	1.0
61.98826	0.9
92.10157	2.3
98.13046	1.1
117.03452	21.7
119.05015	20.0
133.02934	7.4
135.04478	6.3
145.02945	100.0
161.02448	22.3
163.03946	8.1
178.02692	1.4
191.05655	9.9
243.42503	1.3
354.20389	1.2
392.52066	1.2
438.65912	1.3
456.15817	1.4
562.76770	1.3
587.37183	11.9
647.35870	19.1
649.37427	53.5
650.37756	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	685.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02323	0.4
59.86293	0.5
67.17170	0.5
117.03448	6.0
119.05018	4.0
121.03027	0.7
133.02931	26.0
134.03703	3.4
135.04498	13.8
135.05415	0.9
137.02431	2.9
139.04012	0.7
145.02946	21.1
146.03227	0.8
148.69469	0.7
161.02425	100.0
162.02863	0.9
178.02673	0.8
179.03511	1.1
185.02176	0.8
191.05586	1.0
255.23285	3.4
279.23239	9.0
320.03650	0.6
585.36426	1.1
594.12592	0.6
647.35950	5.3
649.37457	73.5
650.37939	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64070	1.4
55.55790	1.2
55.78633	1.4
57.03439	2.7
59.01366	2.7
65.64010	1.5
71.01376	2.3
76.35584	1.5
85.02945	2.4
90.12413	1.8
97.06571	20.6
100.40063	1.6
101.02426	3.4
113.02444	2.0
123.08147	4.0
125.09696	100.0
150.45284	1.6
187.09755	32.2
222.09830	1.7
253.09192	3.3
266.70865	1.9
277.21695	53.5
335.68610	2.1
423.18597	2.4
504.54321	2.0
546.97937	1.9
683.40143	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	2.0
59.01371	8.0
71.01380	2.5
72.31144	1.6
86.42066	1.5
89.02431	3.1
89.69379	1.6
97.06564	15.8
106.19353	2.0
120.03890	1.7
120.67669	1.7
123.08141	11.0
124.83020	1.9
125.09700	100.0
139.85172	1.6
182.64357	2.0
187.09758	68.1
242.34763	1.8
277.21722	18.1
423.18774	10.8
683.40240	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36316	0.5
59.01365	0.7
66.13493	0.6
80.79599	0.6
81.21094	0.5
111.00862	0.8
117.03444	20.2
119.05006	19.1
121.02906	1.5
123.04514	0.7
124.94094	0.6
134.03627	0.7
145.02937	100.0
191.05630	4.3
205.53758	0.7
278.67874	0.7
332.67905	0.8
585.35846	10.1
603.36646	7.3
647.35938	41.5
647.92316	0.8
648.35828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.4
59.55059	0.7
61.98833	1.0
85.02926	1.3
85.35256	0.9
91.72614	0.9
99.96078	0.8
117.03453	19.5
119.05005	20.7
121.02937	1.3
133.02927	3.4
145.02940	100.0
151.00310	1.2
161.02415	8.3
191.05557	6.3
239.80200	1.1
377.73102	1.0
530.50159	1.0
585.36090	9.3
603.36737	6.1
647.35876	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56683	1.5
58.00625	1.5
59.01386	6.5
60.99297	2.1
61.65205	1.5
61.98826	2.8
71.01370	1.8
71.05014	13.2
71.18007	1.9
85.02941	2.9
93.03441	4.3
101.02453	2.0
116.92823	3.1
133.96587	1.7
135.04488	9.0
136.04826	2.0
187.09972	1.8
191.05630	24.7
192.05916	2.6
193.05983	2.7
268.39819	2.3
285.04031	3.8
293.22189	1.9
344.71976	1.9
355.26340	6.7
367.26477	3.4
389.27017	9.8
401.26923	6.9
429.29968	3.2
437.30316	2.4
439.32431	13.1
441.33771	40.2
455.31570	27.4
473.32727	100.0
483.30911	8.0
485.32596	9.4
491.33990	15.5
510.86685	1.9
517.31763	21.8
683.35669	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	683.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92633	0.5
70.95966	0.5
71.05003	1.7
74.31498	0.4
77.60478	0.5
90.91049	0.4
92.63872	0.5
109.30588	0.4
128.45108	0.5
166.52779	0.5
191.05629	1.1
197.02257	3.7
387.31985	0.5
403.30084	0.9
423.32791	1.1
425.30737	2.1
437.30298	0.9
441.33514	2.1
455.31940	0.9
467.31689	13.6
473.32639	1.1
483.31339	0.8
485.32727	100.0
486.32986	2.9
501.32333	3.5
527.61249	0.5
683.35651	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.8
61.98819	0.4
67.11537	0.4
71.01370	2.1
71.05012	1.8
79.21369	0.4
84.32448	0.5
87.11893	0.4
89.02436	0.9
101.02418	1.8
107.50761	0.4
110.68187	0.4
120.31211	0.4
145.02901	1.9
173.18489	0.5
181.07159	11.4
230.83353	0.5
355.26099	0.5
377.28473	0.7
379.30154	1.8
391.30185	2.9
409.31155	3.1
441.30167	0.7
457.33264	0.5
474.38022	0.5
483.31161	12.9
501.32257	100.0
502.32687	3.6
503.33279	0.7
647.36328	0.5
683.41089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53588	0.3
52.96656	0.4
57.03444	0.5
59.01366	3.4
60.99310	0.6
67.01891	3.1
69.03462	0.7
69.18597	0.4
71.01376	3.3
81.03468	0.4
85.02957	10.0
87.00860	5.2
89.02472	0.8
90.33195	0.5
93.03448	18.0
96.96018	2.5
101.02441	0.5
109.02964	2.7
111.04517	3.0
116.92802	0.7
119.05022	0.6
123.04668	0.4
127.04008	2.8
133.02913	2.3
134.03708	0.7
135.04510	22.4
136.04796	0.5
137.02458	0.6
151.03973	1.1
155.03468	1.0
161.02440	11.8
163.04007	0.8
163.25214	0.5
165.40132	0.5
171.02994	0.5
173.04546	4.0
174.03152	0.8
177.02058	0.6
179.03476	13.8
180.03757	0.7
191.05606	100.0
192.05937	2.5
192.99864	0.6
285.14960	0.7
329.13983	2.1
340.90829	0.5
353.08905	1.8
395.10080	0.6
491.18979	1.8
521.20264	3.0
664.27478	0.5
683.25439	21.6
684.25891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70724	0.6
59.01383	7.6
61.98821	0.5
67.91019	0.5
71.01386	1.2
83.05035	0.9
85.02960	0.9
89.02412	1.0
101.02416	1.1
102.66632	0.5
112.38654	0.6
113.02456	0.7
117.03440	22.0
119.04987	6.7
134.87260	0.6
137.02448	0.9
145.02934	100.0
163.03990	7.9
176.61230	0.7
179.97205	0.6
181.07040	1.2
191.05508	1.1
222.11070	0.6
235.37206	0.6
249.18608	4.4
291.53207	0.6
397.13571	8.1
415.14606	2.3
429.29214	0.6
461.32727	18.8
483.31174	3.8
501.32205	17.7
504.73087	0.7
603.37616	0.7
647.35870	48.6
648.36169	1.1
683.29883	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	683.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68590	0.4
51.67151	0.4
52.89624	0.4
54.80962	0.5
56.57784	0.4
59.01379	3.5
60.17104	0.4
60.99303	0.6
67.01893	2.5
67.62875	0.4
71.01369	2.1
73.02936	0.5
81.03436	0.8
83.05013	0.5
84.26827	0.5
85.02941	9.4
87.00857	5.8
93.03436	19.9
96.95998	0.9
101.02448	0.7
109.02937	1.1
111.04490	3.1
113.38881	0.5
121.02916	0.7
123.04415	0.5
127.03988	2.3
133.02953	2.6
134.03690	0.6
135.04503	23.9
136.04837	0.7
137.02367	0.9
155.03511	0.9
161.02426	10.3
171.03075	0.7
173.04539	4.7
174.03207	1.9
179.03465	13.0
191.05597	100.0
192.05940	2.5
203.06958	0.5
275.36423	0.5
329.13849	1.0
353.08801	2.9
359.16867	0.6
395.10010	0.5
491.19107	0.8
521.20044	4.5
556.77704	0.6
677.64331	0.6
683.25549	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	681.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29105	6.7
57.44157	8.0
61.98816	11.0
71.01398	8.8
84.24654	9.3
84.33269	9.9
85.78523	9.1
93.03471	10.0
101.02401	15.3
133.02927	11.9
134.03702	37.2
136.01651	100.0
142.47270	8.7
149.06111	9.4
151.03981	98.6
160.01591	38.9
160.08730	9.9
163.06061	12.2
175.03938	20.9
191.05548	45.7
253.36270	11.6
259.40884	9.7
275.16095	10.9
456.04044	13.0
513.32306	16.8
591.36249	10.0
621.43781	15.8
663.38794	18.8
681.39801	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	682.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
103.68983	0.2
121.02961	0.2
132.02194	0.2
133.02945	7.6
134.03719	1.0
135.04527	3.1
137.02461	0.4
154.71559	0.2
161.02429	33.7
163.04082	0.2
179.03436	1.2
283.73822	0.2
515.85010	0.2
551.85724	0.2
619.40045	49.7
620.40356	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	683.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53588	0.3
52.96656	0.4
57.03444	0.5
59.01366	3.4
60.99310	0.6
67.01891	3.1
69.03462	0.7
69.18597	0.4
71.01376	3.3
81.03468	0.4
85.02957	10.0
87.00860	5.2
89.02472	0.8
90.33195	0.5
93.03448	18.0
96.96018	2.5
101.02441	0.5
109.02964	2.7
111.04517	3.0
116.92802	0.7
119.05022	0.6
123.04668	0.4
127.04008	2.8
133.02913	2.3
134.03708	0.7
135.04510	22.4
136.04796	0.5
137.02458	0.6
151.03973	1.1
155.03468	1.0
161.02440	11.8
163.04007	0.8
163.25214	0.5
165.40132	0.5
171.02994	0.5
173.04546	4.0
174.03152	0.8
177.02058	0.6
179.03476	13.8
180.03757	0.7
191.05606	100.0
192.05937	2.5
192.99864	0.6
285.14960	0.7
329.13983	2.1
340.90829	0.5
353.08905	1.8
395.10080	0.6
491.18979	1.8
521.20264	3.0
664.27478	0.5
683.25439	21.6
684.25891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3854
Annotation	Trachelosperoside B-1
Peak:m/z	Relative Intensity
54.86690	0.6
55.54200	0.5
57.03450	2.8
58.00591	0.6
59.01376	12.7
69.03451	0.6
71.01373	6.8
71.05009	1.3
72.99294	2.8
73.02924	0.9
79.40755	0.6
79.49311	0.6
83.05017	2.4
85.02952	7.0
87.00871	2.8
89.02427	2.5
93.03446	6.1
96.95970	1.2
101.02443	1.3
109.02927	6.1
111.04555	1.2
113.02422	1.2
119.04984	0.6
123.04491	2.6
127.03965	0.6
133.02968	0.8
135.04501	4.9
145.02974	0.8
151.03986	2.7
161.02377	3.1
165.12823	1.1
173.04544	0.9
177.01904	2.5
179.03516	0.7
183.13841	4.0
189.01880	3.0
191.05592	41.5
192.05879	1.3
199.21274	0.6
201.12869	0.8
217.01434	1.3
227.03532	0.9
227.12709	0.9
229.01363	0.7
242.02284	1.0
243.02919	1.3
255.02985	1.2
269.01010	1.2
274.01102	2.7
283.13550	1.3
341.06647	5.7
381.31693	3.0
393.06183	6.7
393.31946	0.7
399.32864	2.7
411.32745	6.5
421.30887	1.0
427.32028	1.1
429.33435	2.7
451.10455	2.7
457.33243	29.3
473.32715	8.8
475.34265	33.1
501.32224	6.0
503.09839	2.5
503.26001	0.8
519.33252	45.9
520.33411	1.2
561.34277	10.8
613.13892	0.7
645.15686	2.6
646.17542	0.9
681.28546	3.4
681.38562	100.0
681.75928	2.3
682.38971	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	681.4003
Annotation	Rubescensin M
Peak:m/z	Relative Intensity
53.28519	4.3
54.11785	4.8
55.27790	4.4
61.98816	6.2
62.71518	5.1
85.62842	4.8
93.03439	12.7
99.74516	5.5
117.03431	8.0
133.02948	13.0
134.03694	52.8
135.04462	7.7
136.01625	95.5
145.02945	9.5
149.06061	9.4
151.03995	100.0
156.44904	5.2
160.01620	43.9
175.03966	53.1
176.48535	5.7
191.05693	42.1
302.31824	6.4
349.64063	5.7
487.34601	6.7
513.31903	26.0
529.35114	20.9
562.84772	8.1
621.43561	10.8
663.38977	29.6
669.84491	6.0
681.39923	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.5
61.98830	10.6
71.01382	3.1
71.05014	11.9
77.93166	2.5
78.18562	2.4
83.04516	1.8
84.97643	2.3
85.02944	5.2
92.63754	2.7
93.03391	3.2
103.68100	2.6
109.02944	3.1
127.03928	3.3
128.55225	2.2
135.04555	3.2
137.02400	3.0
145.02844	2.8
165.01929	3.0
191.05583	48.5
337.25461	2.9
353.24664	9.7
367.26639	2.7
395.29562	3.4
409.31119	8.9
421.30600	4.2
423.28940	4.8
437.30515	14.5
439.32166	43.7
453.30096	23.8
471.31125	100.0
483.31332	3.2
503.33942	8.5
515.30157	4.8
681.35077	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	681.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32734	0.5
51.35834	0.6
54.81430	0.7
57.03459	2.8
59.01385	11.7
71.01370	5.8
71.05018	2.9
72.99322	3.0
73.02943	0.7
73.09633	0.8
83.05040	1.3
85.02951	6.5
87.00893	2.9
89.02421	3.6
93.03433	6.6
94.92937	0.6
96.96013	1.3
101.02438	2.7
102.95962	0.6
109.02940	7.8
110.26984	0.7
111.04515	1.0
113.02467	1.3
113.82792	0.6
116.92864	0.8
123.04521	1.6
125.02454	0.7
127.04063	1.5
132.02087	0.6
135.04491	5.1
150.03229	0.7
151.04015	1.3
161.02396	1.3
165.12819	1.4
173.04480	1.2
177.01917	2.6
179.03532	1.0
183.13814	1.1
189.01947	1.4
191.05597	37.2
192.06009	2.3
217.01410	2.5
227.03441	1.2
227.12759	1.2
233.34381	0.6
242.02219	1.2
243.03117	0.8
249.12361	0.6
269.00964	1.1
274.01117	1.5
283.13458	1.1
341.06589	5.8
347.27032	0.8
353.13724	0.8
381.31534	1.5
393.06192	7.8
399.32739	1.4
411.32666	4.8
427.31870	0.9
429.33710	2.8
451.10303	1.2
457.33218	32.0
457.82474	0.7
473.32663	6.6
475.34238	33.5
501.32236	4.3
503.09686	1.5
519.33252	42.5
533.34601	1.2
561.34314	7.5
576.29547	0.8
601.50647	0.8
645.16437	2.9
681.38562	100.0
682.38641	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	679.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83872	0.8
59.01371	23.1
61.98832	6.9
71.01385	6.7
85.02936	1.5
87.00880	1.3
88.98756	1.0
89.02449	7.3
94.28731	1.2
101.02410	2.0
122.65634	1.1
130.18701	1.2
131.03427	1.7
132.88272	1.4
139.69699	1.1
152.59129	1.0
153.93575	1.2
157.38628	1.1
189.01936	1.6
191.05629	5.6
217.01433	7.0
226.22679	1.2
311.10724	1.2
372.32614	1.1
471.34796	47.4
513.24188	1.4
601.37311	10.4
619.38507	100.0
620.38879	4.4
707.08948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22416	0.9
56.16488	0.8
59.11983	0.9
61.98822	100.0
70.26417	0.9
73.76995	1.0
76.71132	0.9
81.03264	1.0
87.79424	1.1
92.87830	0.9
144.86111	1.0
156.25543	1.2
194.74825	1.0
616.17487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82065	0.4
61.98825	100.0
80.23106	0.5
91.74403	0.5
93.21948	0.6
119.49111	0.5
133.79042	0.5
143.00468	0.5
228.67509	0.6
336.78662	0.5
393.71405	0.6
394.51678	0.6
428.73709	0.6
555.99323	0.6
662.05743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40287	3.0
59.29937	3.0
61.98835	41.9
67.04751	3.1
76.81783	3.3
78.95890	25.0
81.03414	3.9
83.05029	4.8
127.11278	4.5
140.01163	15.2
172.77338	3.8
191.05582	4.4
196.03728	5.7
201.11333	92.9
209.11816	95.1
227.12817	7.0
248.49875	4.1
248.52576	3.9
255.23264	99.7
452.27408	4.2
467.72656	3.7
662.40112	27.2
680.41418	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	679.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09026	0.5
59.01371	7.7
60.99299	1.0
67.01876	6.1
69.03455	1.3
71.01367	3.4
80.49873	0.5
81.03439	0.9
84.07777	0.6
85.02931	6.4
87.00842	9.4
89.02448	0.8
93.03422	42.2
96.95962	1.0
101.02423	0.7
109.02928	1.1
111.04479	7.5
113.02419	0.6
119.05002	2.9
121.02913	32.9
129.01881	0.7
142.99835	0.7
145.02974	0.8
155.03488	2.7
163.03928	1.0
173.02937	0.8
173.04506	40.2
181.05049	8.5
191.05588	100.0
192.06012	0.9
233.06584	1.3
250.89934	0.8
323.13361	2.0
335.13297	0.9
337.09198	3.4
355.10333	66.1
356.10583	0.6
454.07733	0.7
464.22812	0.6
500.54709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92648	1.9
59.01380	55.7
59.45477	1.5
61.98840	3.7
62.68925	1.5
71.01381	18.3
71.67609	2.1
73.02923	3.0
85.02948	10.1
89.02448	12.0
101.02421	9.6
113.02432	8.8
119.03454	7.6
119.04966	2.1
133.02931	2.9
144.60843	2.3
161.02432	2.0
168.86272	2.0
177.01891	2.5
189.01917	4.2
191.05624	4.5
207.35715	1.8
208.34668	2.5
217.01370	13.1
219.02809	2.3
327.05008	2.7
446.36691	2.1
457.32852	2.8
471.34592	3.8
547.32733	3.1
555.84473	2.2
601.37616	17.3
615.38782	10.8
619.37823	3.4
633.40039	100.0
635.31189	3.4
651.81354	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	679.406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81335	1.2
55.68655	1.2
59.01381	7.7
61.98830	5.0
62.60337	1.2
66.88970	1.3
78.69615	1.1
85.02959	1.8
108.93266	1.4
116.92853	2.5
137.08333	1.4
189.01854	5.6
191.05612	10.2
217.01385	7.9
229.01251	1.5
378.54526	1.5
471.34802	100.0
472.35236	2.9
601.37408	2.7
619.38409	17.0
679.41101	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	679.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10343	0.1
52.58101	0.1
55.14545	0.1
57.03444	0.3
59.01371	1.5
67.01884	1.9
69.03463	0.8
71.01369	2.0
73.02947	0.3
75.06590	0.1
75.80508	0.2
77.53394	0.2
81.03465	0.4
83.05033	0.8
85.02936	8.6
87.00850	2.0
89.03947	0.2
93.03436	12.9
99.04520	0.4
107.05050	0.4
108.02197	0.2
109.02959	1.4
111.00874	0.3
111.04506	3.5
113.02380	0.2
119.05035	0.4
123.56571	0.2
127.03983	2.4
133.02959	1.1
134.03714	0.9
135.04507	29.2
136.04869	0.2
137.02420	2.4
153.01886	0.2
155.03464	1.7
155.58670	0.2
161.02425	2.9
171.02992	0.4
173.02966	0.4
173.04527	31.4
179.03487	19.7
191.05605	100.0
192.05934	0.9
226.34341	0.2
227.07074	0.7
255.10350	1.9
353.08783	26.1
354.09256	0.3
517.13300	0.8
679.19086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07815	0.8
59.01369	1.3
61.98825	94.6
65.00317	8.3
65.48991	0.8
71.01391	1.1
83.01381	4.9
89.02451	1.3
93.03465	1.0
100.24551	0.8
107.01381	18.7
109.02924	1.1
125.02415	3.6
133.02960	1.6
133.08206	0.9
135.04504	66.7
137.02359	0.8
149.02339	0.9
151.00356	100.0
169.01321	1.2
171.10304	0.9
189.61195	1.1
191.05632	9.2
209.11864	1.6
285.04028	13.5
286.04297	7.3
287.05609	38.4
428.65625	1.0
615.20734	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68165	0.1
59.01371	1.0
61.53306	0.1
71.01382	0.2
73.02933	0.1
81.03416	0.2
83.05004	0.2
85.02935	7.0
87.00855	1.9
92.10105	0.2
93.03436	3.2
94.03773	0.2
96.95980	0.2
99.04506	0.2
101.06041	0.1
109.02934	0.6
111.04503	1.1
127.03999	1.9
133.02882	1.0
133.05553	0.2
134.03256	0.2
135.04529	0.3
137.22182	0.1
137.42688	0.2
149.72787	0.2
155.03548	0.2
161.02411	2.7
171.03059	0.2
173.04453	1.3
179.03522	0.4
191.05595	100.0
192.05936	1.9
193.05989	1.1
194.06422	0.3
227.07095	0.2
330.45969	0.2
339.09940	0.2
353.08783	11.5
354.09277	0.2
380.74338	0.2
410.32156	0.2
585.88947	0.2
678.19177	0.2
679.20007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	73.2
61.98826	25.8
71.01395	19.4
71.05052	11.6
71.13578	12.8
76.11200	12.7
78.25431	10.9
85.52522	10.5
86.20628	12.6
93.03437	20.7
93.54474	13.4
102.93695	11.5
109.06612	23.7
114.35801	13.0
116.92838	14.9
129.18280	13.0
142.02881	12.9
178.22900	13.9
191.05626	16.1
197.11847	100.0
207.10237	69.7
225.11369	60.9
383.04391	15.8
386.49265	13.0
485.32614	30.8
623.30554	96.5
641.31635	63.2
677.29987	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4272
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
53.26624	0.7
54.08747	0.7
57.84526	0.6
59.01377	12.6
61.98825	0.8
65.89775	0.8
71.01369	1.1
85.02930	0.8
92.10162	0.9
138.18094	0.7
164.95935	0.7
188.15547	0.7
191.05583	1.3
195.10655	0.7
203.59836	0.7
270.34528	0.8
355.02026	0.8
455.34677	1.0
600.13940	0.9
617.40594	100.0
618.40924	4.7
709.80115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45119	0.7
59.01371	1.6
61.48825	0.6
61.98823	94.1
63.02395	1.3
65.00322	10.1
78.34447	0.7
83.01385	3.8
93.03442	1.3
96.15148	0.7
106.75660	0.7
107.01383	17.1
109.02971	1.2
109.88689	0.7
112.76443	0.8
122.20689	0.7
125.02405	3.3
135.04503	73.6
151.00354	100.0
152.00870	0.7
161.02473	0.8
169.01477	0.8
171.10229	1.1
191.05652	6.9
209.11819	0.9
255.90346	0.7
280.96152	0.8
285.04065	5.5
286.04224	2.9
287.05597	42.8
288.06299	1.0
482.66608	0.8
511.64526	0.9
615.20844	40.0
616.21130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03447	1.0
58.00595	0.4
58.25217	0.3
59.01376	74.1
59.70372	0.3
59.72377	0.5
67.01899	0.7
71.01372	13.8
71.95516	0.4
72.99301	0.6
73.02949	0.6
81.03430	0.5
83.01402	0.5
85.02947	6.8
87.00855	3.5
89.02434	14.2
93.03445	7.8
94.03790	2.2
95.01379	1.9
95.05026	0.7
96.95993	28.8
97.02931	0.6
101.02424	11.9
109.02927	4.9
111.04507	1.9
113.02431	6.5
119.03497	5.3
119.04991	0.9
123.04494	2.0
125.02430	3.6
127.04012	1.1
133.03003	0.7
135.04538	0.5
137.02463	1.9
139.04065	0.6
143.05025	0.8
149.02415	1.1
151.03964	0.8
161.06042	0.6
163.04037	0.6
163.11258	5.8
173.04539	2.2
173.05914	0.4
179.03500	0.6
191.05602	27.3
192.05920	7.3
193.06071	4.3
203.07155	2.5
205.04979	0.9
207.10252	11.2
211.07608	0.8
212.07954	0.8
245.08177	1.0
246.95448	0.5
265.08841	0.7
289.07175	8.5
305.71466	0.5
305.74792	0.6
327.08868	2.4
328.08997	1.7
329.09573	0.8
369.15808	0.5
387.16620	100.0
388.17010	1.9
474.08200	0.5
502.14783	0.6
503.14529	0.7
579.13672	0.7
677.19873	10.9
690.80896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36781	6.8
55.01919	6.5
59.01376	92.4
61.98819	15.1
70.66573	6.4
71.01379	34.2
81.99970	8.9
82.95430	16.3
85.02950	34.7
89.02416	12.9
93.03400	8.5
101.02421	14.8
123.04552	9.5
135.04456	29.6
135.08099	17.8
137.33636	8.5
191.05600	100.0
203.47060	8.8
207.10201	13.2
209.11859	17.6
229.01440	8.7
235.08116	8.7
597.25446	18.1
623.27045	16.3
641.28735	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	677.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38432	0.4
59.01376	11.7
65.23595	0.5
71.01376	6.5
73.35275	0.5
85.02952	2.9
89.02447	6.1
95.01368	0.8
101.02448	3.3
107.01357	1.1
111.08163	2.8
113.02441	4.8
118.22884	0.5
119.03487	1.4
133.02951	5.4
134.03276	2.3
135.04501	3.4
151.00365	6.3
163.11304	0.6
165.12843	30.5
175.03954	1.0
183.13892	100.0
184.14221	2.6
191.05568	3.8
199.03966	0.9
207.13817	2.3
209.11813	2.5
225.14905	1.1
227.12897	97.0
228.13168	3.3
251.12793	4.6
285.04047	23.8
286.04373	17.6
287.04630	10.7
312.46982	0.7
329.15948	0.7
389.18222	22.7
391.19553	2.4
474.64182	0.6
544.39343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01389	2.2
60.01712	0.4
62.54499	0.3
62.57162	0.2
67.01886	2.0
69.03442	0.4
70.32469	0.3
70.91216	0.2
71.01382	2.3
73.02968	0.3
79.95731	2.1
81.03433	0.5
83.05012	1.0
85.02417	0.5
85.02938	14.3
86.03265	2.1
87.00867	4.9
88.01173	0.4
93.03439	15.4
94.03773	3.6
96.95989	100.0
98.91042	0.3
109.02936	1.2
111.04517	2.5
112.04852	0.7
115.00343	0.7
119.05006	4.0
120.05344	0.7
121.02911	0.3
127.03979	3.2
128.04271	0.3
129.01891	0.3
131.04991	0.4
133.02890	1.2
133.94963	0.3
135.04449	0.5
137.02449	0.4
143.05006	3.0
144.05339	1.3
155.03505	0.5
156.03806	0.3
163.03961	2.2
164.04361	0.6
171.03006	0.3
171.04416	0.4
173.04521	6.4
174.04817	1.4
175.04947	0.4
191.05600	97.4
192.05940	32.3
193.06047	14.6
210.06845	0.4
211.07683	2.6
212.08029	2.6
213.08171	0.3
237.09271	1.1
265.08768	2.2
266.08951	2.2
267.09308	0.6
298.04553	0.4
309.07541	0.7
327.08670	5.2
328.09088	5.6
329.09262	3.7
369.06006	0.7
388.76401	0.3
399.07056	1.4
429.08188	0.4
451.96439	0.3
479.74075	0.3
485.13794	0.4
501.14169	0.4
502.14230	1.7
503.14926	2.2
579.13538	3.4
676.19659	7.0
677.19885	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	677.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01389	2.2
60.01712	0.4
62.54499	0.3
62.57162	0.2
67.01886	2.0
69.03442	0.4
70.32469	0.3
70.91216	0.2
71.01382	2.3
73.02968	0.3
79.95731	2.1
81.03433	0.5
83.05012	1.0
85.02417	0.5
85.02938	14.3
86.03265	2.1
87.00867	4.9
88.01173	0.4
93.03439	15.4
94.03773	3.6
96.95989	100.0
98.91042	0.3
109.02936	1.2
111.04517	2.5
112.04852	0.7
115.00343	0.7
119.05006	4.0
120.05344	0.7
121.02911	0.3
127.03979	3.2
128.04271	0.3
129.01891	0.3
131.04991	0.4
133.02890	1.2
133.94963	0.3
135.04449	0.5
137.02449	0.4
143.05006	3.0
144.05339	1.3
155.03505	0.5
156.03806	0.3
163.03961	2.2
164.04361	0.6
171.03006	0.3
171.04416	0.4
173.04521	6.4
174.04817	1.4
175.04947	0.4
191.05600	97.4
192.05940	32.3
193.06047	14.6
210.06845	0.4
211.07683	2.6
212.08029	2.6
213.08171	0.3
237.09271	1.1
265.08768	2.2
266.08951	2.2
267.09308	0.6
298.04553	0.4
309.07541	0.7
327.08670	5.2
328.09088	5.6
329.09262	3.7
369.06006	0.7
388.76401	0.3
399.07056	1.4
429.08188	0.4
451.96439	0.3
479.74075	0.3
485.13794	0.4
501.14169	0.4
502.14230	1.7
503.14926	2.2
579.13538	3.4
676.19659	7.0
677.19885	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	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52206	1.3
55.01883	1.8
58.00611	1.7
58.74694	1.5
59.01374	63.6
61.98818	2.0
67.44078	1.3
71.01368	40.0
72.30608	1.3
72.99297	1.6
73.02937	9.2
76.20937	1.4
76.96344	1.6
78.95880	1.6
79.27785	1.7
83.01382	2.8
85.02954	11.5
87.00869	8.4
89.02434	33.1
90.30267	1.3
93.85786	1.3
95.01372	1.7
96.96925	1.6
97.02935	3.7
99.00881	2.2
101.02425	29.1
113.00345	1.5
113.02431	14.8
119.03487	10.9
125.02403	11.8
136.20601	1.5
143.03482	3.4
152.99556	2.0
157.48988	1.7
161.04507	3.4
179.05562	3.8
191.05527	6.4
205.79506	1.6
235.08136	13.6
253.09308	2.6
277.21710	100.0
278.22195	1.7
287.07590	3.2
321.26819	1.8
397.13489	69.9
415.14566	28.2
419.30988	1.9
453.33868	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	676.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18430	0.1
51.24512	0.1
59.01381	0.7
61.98832	40.8
63.02381	0.2
65.00312	0.7
83.01390	0.3
84.05338	0.2
85.02963	0.2
93.03445	0.7
101.02472	0.2
107.01374	1.5
121.02917	0.2
133.02933	7.0
135.04532	0.2
145.48157	0.2
149.02396	1.4
151.00363	4.8
157.68384	0.2
162.10153	0.1
175.03938	2.2
181.08662	0.9
185.05960	0.2
191.04031	0.2
191.05598	1.8
192.05984	0.2
197.06090	0.2
197.11801	0.4
198.03207	0.3
199.04016	2.5
201.01949	0.9
209.11752	1.6
210.12105	0.7
213.05580	0.6
215.03438	0.4
217.05077	1.5
241.05067	1.1
242.02080	0.2
243.02921	0.8
267.03137	0.2
284.03290	0.9
285.04025	100.0
286.04425	1.9
613.19244	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	675.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01373	1.9
60.99300	0.6
62.79663	0.3
65.83497	0.3
67.01876	3.7
69.03450	0.7
71.01360	2.2
77.08808	0.3
81.03444	0.6
83.05004	0.7
85.02950	7.4
87.00862	6.4
89.78664	0.3
89.79205	0.3
92.10833	0.8
93.03439	23.7
99.04486	0.5
103.13400	0.4
105.20689	0.3
109.02940	0.7
111.04495	4.2
119.05000	9.2
127.03988	2.2
129.01935	0.6
137.02412	0.4
143.05032	0.4
145.02896	1.4
155.03485	1.6
163.03996	7.7
173.04529	18.7
173.91350	0.3
191.05598	100.0
192.05977	0.5
211.07718	0.5
231.24168	0.3
248.26740	0.3
265.08734	0.3
327.08716	2.1
337.09290	19.1
362.94669	0.4
382.61679	0.3
393.14182	0.3
501.13855	0.6
630.87677	0.4
675.19415	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	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85749	0.1
57.48625	0.1
57.50839	0.1
58.95700	0.1
59.01378	0.4
59.36707	0.1
63.02397	0.4
65.00311	1.2
71.01373	0.7
76.52131	0.2
78.38321	0.1
83.01383	0.8
85.02950	0.3
85.70454	0.1
89.02442	0.3
91.21525	0.1
93.03441	0.2
99.81872	0.2
107.01375	3.1
111.08161	0.2
113.02443	0.3
121.02948	0.3
122.01720	0.2
123.21954	0.2
125.02525	0.2
132.02203	0.2
133.02936	15.9
135.04517	0.2
135.33409	0.2
149.02426	3.0
151.00352	7.9
157.99486	0.1
165.12823	2.4
168.33731	0.2
171.04507	0.4
175.03969	4.2
183.13876	7.4
184.14433	0.2
185.06046	0.2
191.05623	1.8
197.06122	0.3
197.15427	0.2
198.03302	0.4
199.04005	4.1
201.01913	1.2
209.11758	0.3
213.05586	0.9
215.03438	0.7
217.05074	2.2
223.04004	0.2
224.37326	0.2
227.12891	9.9
228.04361	0.2
229.05051	0.2
240.04227	0.2
241.05029	1.3
243.02905	0.9
251.12878	0.3
257.04474	0.8
267.03104	0.4
285.04031	100.0
286.04288	1.5
389.18167	2.9
417.90628	0.2
442.15033	0.2
672.65149	0.2
675.18463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84206	0.7
59.01374	63.9
63.08044	0.7
67.57506	0.8
90.99931	0.8
97.65621	0.8
110.29435	0.7
132.98158	1.8
140.77034	0.8
159.01453	0.8
174.99232	32.2
201.02559	6.3
217.00285	100.0
277.79694	0.9
359.01459	7.6
368.77344	0.9
374.99219	41.4
532.98370	7.5
559.04871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01382	1.6
60.99305	0.7
67.01881	2.4
69.03459	0.8
71.01365	1.3
73.02951	0.3
81.03451	0.9
83.05013	0.8
85.02938	10.6
87.00858	5.9
88.63936	0.2
93.03436	17.1
99.00860	0.3
99.04536	0.3
102.35801	0.2
108.02135	0.2
109.02963	1.2
111.04508	3.3
113.02491	0.2
117.03440	0.4
119.05009	4.6
127.03992	2.7
129.01923	0.3
137.02400	0.4
143.04984	0.4
145.02933	2.1
155.03423	1.3
163.03992	2.9
171.02969	1.2
173.03362	0.2
173.04517	9.1
191.05598	100.0
192.05962	1.2
203.50514	0.2
211.07697	1.5
223.07751	0.3
237.09219	0.7
265.08698	0.9
283.09680	1.2
283.66116	0.2
327.08722	3.6
337.09363	2.4
389.52332	0.2
483.12952	0.8
501.14120	2.7
675.19324	25.6
676.19733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81415	0.2
55.01886	0.2
57.03456	0.4
58.00545	0.2
58.19432	0.2
59.01375	4.5
61.98835	0.4
71.01375	3.6
72.99319	0.2
73.02940	0.4
76.60047	0.2
81.31229	0.2
83.01394	1.0
85.02956	1.3
87.00867	0.8
89.02419	2.1
92.10881	0.2
93.03474	0.3
94.52782	0.2
97.06560	0.3
97.72778	0.2
101.02422	2.5
101.68452	0.2
109.06558	0.3
110.78456	0.2
111.04508	0.2
111.08158	1.1
113.02444	1.7
119.03535	0.3
120.43272	0.2
125.02478	0.3
135.04471	0.3
143.03563	0.2
161.04533	1.3
163.11288	0.5
165.12823	8.7
165.14153	0.4
177.06313	0.2
183.13881	100.0
184.14229	0.4
191.05582	1.7
207.10327	0.5
209.11821	2.0
211.13435	1.6
213.15077	0.2
227.12881	5.1
235.08336	0.7
253.09293	1.9
279.33548	0.3
445.21057	0.9
463.21869	2.3
515.74097	0.3
629.35443	3.0
655.33557	2.5
673.34418	40.5
674.34406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68701	0.3
55.01894	0.4
57.03442	0.5
57.38821	0.3
59.01373	5.9
69.03469	0.5
71.01381	3.6
72.40997	0.3
73.02940	0.7
80.02673	2.2
81.03468	2.3
83.01395	0.6
83.05020	6.9
84.02186	1.8
85.02934	0.7
87.00868	1.4
89.02429	3.4
92.10838	0.9
92.64277	0.3
93.03456	0.6
95.01399	0.3
95.05014	0.5
97.06603	0.6
101.02411	5.0
101.02959	0.3
105.95370	0.3
107.23567	0.4
109.06574	0.4
111.08173	0.4
113.02432	2.5
119.03479	1.5
135.04521	1.9
135.08145	0.6
143.03281	0.4
161.04549	1.5
163.11253	6.7
165.12819	10.5
179.03479	0.5
179.05498	0.3
181.12386	1.1
183.13879	54.9
184.14200	0.7
191.05595	4.1
191.10669	0.5
191.69250	0.3
193.82397	0.4
209.11818	100.0
210.12198	1.3
227.12888	10.8
235.08257	0.4
253.09331	3.9
445.20926	1.7
463.21719	1.3
655.33002	1.3
673.34406	49.7
674.34949	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23238	0.1
59.01383	2.3
70.70101	0.2
71.01369	1.9
71.05010	0.2
72.80597	0.2
76.58990	0.2
80.02665	1.7
81.03449	1.3
83.01398	0.2
83.05010	4.9
84.02164	1.6
85.02948	1.0
85.52435	0.2
87.00842	0.4
89.02419	1.2
92.10056	0.4
93.03434	0.3
95.05012	0.8
95.51817	0.2
97.45364	0.2
101.02419	1.6
102.11777	0.2
109.06625	0.2
113.02461	0.7
119.03455	0.3
125.06100	0.7
125.09690	0.2
135.04498	0.3
135.08130	0.9
138.13916	0.1
141.70323	0.2
143.03467	0.2
147.11751	0.3
161.04539	0.5
161.05699	0.2
163.11276	5.3
165.12827	2.7
168.17136	0.2
171.10268	0.8
179.05647	0.2
181.12306	1.0
191.05621	1.4
191.10783	1.1
209.11827	100.0
210.12201	1.3
213.64262	0.2
221.11877	0.2
227.12875	10.0
228.63681	0.2
235.08199	0.8
247.13443	0.2
253.09280	4.5
445.20654	0.6
637.32239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02526	2.2
59.01369	18.6
61.43990	1.9
61.98818	4.3
67.01878	3.5
71.01378	5.1
78.31621	2.2
78.95892	2.0
80.05052	3.5
83.01348	2.1
83.05062	2.9
84.63628	2.2
85.02959	14.2
87.00865	5.1
89.02412	2.8
92.10150	6.8
93.03445	24.8
94.06599	2.4
96.95994	2.6
101.02432	3.5
106.06583	4.3
107.03774	4.0
109.06567	5.8
113.02448	3.3
116.99977	2.5
119.05016	4.1
122.06107	50.5
125.02443	2.9
127.04012	2.6
132.04536	2.3
134.06088	18.1
135.04520	33.3
136.04829	3.5
136.07643	2.9
151.03949	3.1
152.07166	79.2
160.36987	2.6
163.11243	9.1
164.11501	2.8
165.07491	2.4
171.10213	5.5
173.04550	5.5
179.03639	4.2
183.13814	3.2
188.07153	13.4
191.05603	100.0
192.05934	16.8
199.13373	5.4
207.10277	13.0
208.10738	3.3
209.11838	45.2
210.12155	11.6
211.08739	2.6
211.13446	3.4
213.10237	9.8
225.11003	4.9
227.03281	3.0
227.13086	19.7
237.10352	5.3
239.11835	11.4
241.13339	4.9
249.10112	4.6
250.07484	9.9
252.09045	2.7
253.09630	11.8
265.06168	2.9
265.09814	14.5
267.11273	4.1
277.09729	4.3
278.06854	12.8
279.07693	18.9
279.10626	2.9
285.12387	15.5
291.07718	4.2
293.09351	50.7
293.12585	5.1
294.10071	11.2
295.10745	25.2
306.10141	4.0
307.10861	5.2
337.08282	35.3
358.15659	11.6
400.16556	4.2
432.19360	3.1
444.15717	2.7
459.18219	18.9
460.18857	10.8
462.17004	3.3
474.20023	4.6
503.16364	4.1
504.17740	12.2
518.19342	45.0
536.20154	5.0
550.21948	61.0
565.24304	23.5
597.27521	3.3
609.23578	16.4
637.31226	2.6
641.26141	51.7
673.27496	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
59.01372	12.9
65.74640	0.9
71.01372	8.3
72.99277	0.8
73.02944	1.2
81.03444	1.4
83.04987	1.3
85.02935	4.6
87.00853	1.8
89.02426	3.6
92.10950	1.0
95.05009	1.3
97.02934	4.3
97.06591	1.1
99.00861	1.1
101.02425	7.5
109.06575	21.1
110.03765	1.1
113.02443	4.2
121.06599	1.7
133.53546	0.8
134.74219	0.8
135.08119	3.8
136.05298	1.3
142.02687	1.0
161.04567	2.6
161.09676	1.2
163.11272	14.6
165.12846	9.1
181.12262	5.0
183.13878	100.0
189.09140	1.1
191.05640	1.2
207.10265	50.3
209.11812	3.2
225.11311	18.2
227.12747	5.7
235.08174	1.8
253.09190	4.4
275.16409	0.9
329.24777	1.9
373.23798	5.6
391.25037	6.3
407.20428	0.9
445.20432	1.0
452.40067	1.0
461.20157	4.2
463.22083	3.0
471.34720	15.1
472.34940	3.2
473.35428	1.3
609.32501	1.7
627.33667	4.5
653.31635	5.8
671.32764	79.4
672.33026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81656	0.4
55.01878	0.5
57.03437	0.7
59.01376	10.2
64.02189	0.4
65.32557	0.4
69.03444	0.4
69.63306	0.4
71.01373	5.1
71.78213	0.4
73.02944	0.7
80.02678	2.2
81.03443	4.1
83.05006	8.1
84.02157	1.9
85.02951	1.1
87.00897	0.5
89.02416	4.8
93.03419	0.5
95.05045	0.9
97.02908	5.8
97.06577	0.6
101.02415	4.2
106.04230	0.5
109.06581	16.4
110.03738	1.7
111.04525	0.5
113.02451	2.2
119.03478	0.8
119.27837	0.4
121.06554	1.6
122.06127	1.0
123.08096	0.5
125.09702	2.0
135.08134	4.1
136.05290	0.6
142.02676	1.9
142.88158	0.4
152.07161	2.5
158.09721	0.5
161.04538	0.8
161.09669	1.0
163.11282	19.5
165.12849	3.0
171.10246	1.9
181.12289	4.0
185.11775	2.0
191.05763	0.5
191.10767	0.7
207.10262	49.5
209.11827	100.0
210.12221	0.7
221.11830	0.7
224.83824	0.5
225.11317	19.5
227.12854	8.6
232.96918	0.4
235.08228	0.9
247.13385	0.9
249.03409	0.4
249.11250	0.7
253.09305	6.3
263.12793	0.5
265.14462	0.5
293.09360	2.0
299.15131	0.8
305.09268	0.4
399.21823	3.2
417.22714	4.4
443.19876	1.5
461.20282	5.8
502.16400	1.0
627.30780	0.6
635.30707	8.2
653.31818	8.6
671.32947	17.0
676.66864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02690	0.8
54.83793	0.9
58.00584	0.8
59.01385	4.6
60.35424	0.7
61.98830	1.1
64.32894	0.8
64.33215	0.8
65.75210	0.7
71.01375	1.7
73.02969	1.0
89.02434	1.6
101.02448	1.6
146.26674	0.9
174.78569	1.0
181.07159	20.9
183.13861	4.1
221.25949	1.1
223.13408	5.6
437.30984	1.3
449.45612	1.1
467.31628	1.5
469.33197	13.4
487.34286	100.0
529.24249	1.1
669.34839	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55846	3.6
59.01373	4.2
61.98832	5.1
65.99959	3.5
66.00311	3.3
71.01372	3.3
71.99301	3.7
80.16908	3.4
81.11198	3.7
83.91003	3.7
84.46333	3.3
85.54411	3.6
95.27024	3.9
145.02930	17.2
156.72218	3.5
163.15137	3.9
165.97391	3.6
167.34157	3.4
181.07156	21.8
182.45992	4.3
191.05730	4.7
212.42841	4.2
224.83002	3.8
305.01056	3.9
487.34344	100.0
488.34964	7.0
532.27502	4.3
633.37915	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	671.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
61.98825	16.3
61.99138	0.6
71.01379	0.5
72.24886	0.3
83.05024	0.3
85.02941	0.6
85.25508	0.3
92.10825	1.1
108.02154	0.6
109.02962	0.5
109.06554	1.3
122.06123	1.7
132.04585	0.5
134.06090	0.6
135.04483	1.5
152.01178	1.8
152.07150	4.9
163.11307	0.8
179.03426	0.4
181.12440	0.4
183.13844	1.7
190.05066	2.9
191.05576	4.9
198.09200	3.5
202.08759	0.5
206.15906	0.3
207.10265	3.1
209.11789	3.5
212.05904	0.6
213.06700	0.5
223.08696	0.7
225.06633	0.4
225.11256	2.0
226.07468	2.4
227.12898	0.7
228.09052	4.3
239.11891	14.8
241.09808	100.0
242.10097	1.4
243.11400	2.2
255.11456	1.7
256.12158	54.8
257.12360	0.7
285.04788	0.4
300.11142	9.3
313.29382	0.4
315.13510	77.5
316.13925	0.6
330.16187	1.9
355.12997	6.1
461.20639	0.4
501.31927	0.4
563.23151	1.3
595.26031	2.7
653.31464	0.8
671.31665	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	669.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51392	0.7
53.93578	0.5
61.98817	0.8
67.73261	0.5
73.93100	0.7
133.02946	18.6
134.03693	3.0
135.04539	7.8
137.02419	1.4
145.02924	1.3
161.02434	88.0
162.02760	1.0
179.03572	1.0
180.00587	0.6
227.96002	0.7
387.47440	0.7
408.21265	0.7
631.36249	0.8
633.37970	100.0
634.38080	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	669.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78166	0.3
61.98832	0.4
105.39544	0.4
133.02934	22.7
134.03738	3.2
135.04507	8.8
137.02420	2.1
139.03995	0.5
146.64061	0.4
161.02425	90.8
162.02766	0.5
179.03468	2.4
278.92743	0.5
299.01477	0.4
633.37994	100.0
634.38214	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	669.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46873	2.1
52.57937	1.9
54.54658	1.8
57.10972	1.9
59.01382	5.1
61.77226	1.8
61.98811	4.5
64.62807	1.8
75.73167	2.4
89.02475	2.7
91.84563	1.9
92.10133	4.2
96.26427	2.2
96.86948	2.2
109.02901	2.6
121.02908	4.9
172.56377	2.2
174.50731	2.5
187.49184	2.3
191.05591	13.4
197.02211	3.1
207.10091	3.2
319.55338	2.8
390.19870	2.6
440.70874	2.5
471.34906	100.0
669.38141	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	669.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38599	0.7
59.01377	1.2
61.89645	0.7
61.98820	1.0
66.16911	0.7
71.01390	3.3
78.03336	0.8
83.35798	0.7
89.02446	1.8
94.25030	0.7
101.02448	3.2
144.28290	0.7
153.68666	1.0
181.07167	13.3
487.34286	100.0
488.34561	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	669.349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
64.17194	2.0
66.26962	2.0
69.03468	2.5
71.01367	3.2
78.95924	2.5
83.05038	8.4
89.02454	4.0
92.10909	4.1
93.03391	2.4
95.05030	2.0
96.96000	2.2
101.02445	4.0
113.02476	3.9
117.33509	2.5
121.02949	2.7
121.36731	2.2
127.66222	2.3
163.11211	4.3
167.10701	4.1
179.14452	3.7
191.05597	10.2
195.13861	14.4
205.12329	13.2
209.11841	100.0
223.13387	98.8
227.12863	12.3
235.08194	3.0
253.09274	4.5
274.83435	2.4
313.72058	2.1
337.10773	2.5
436.96677	2.3
459.22516	8.7
469.33383	3.3
471.34857	23.8
487.34055	2.7
545.82928	2.4
545.91534	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	669.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73277	0.6
97.58100	0.6
103.01952	0.7
124.11511	0.7
132.02133	0.9
133.02937	20.8
134.03706	3.2
135.04501	8.6
137.02415	1.0
139.04065	0.7
148.20773	0.6
160.86203	0.6
161.02425	80.9
178.02704	0.8
179.03574	1.0
274.22610	0.6
633.37988	100.0
634.38135	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	669.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58173	0.4
59.01374	5.6
64.41196	0.4
67.01893	0.6
69.76994	0.4
71.01383	2.5
73.02940	0.9
76.56445	0.4
78.50828	0.4
85.02931	13.0
87.00852	3.5
88.98773	0.5
89.02451	0.5
91.62617	0.4
93.03436	10.2
101.02428	1.8
102.01320	0.4
109.02943	2.1
111.04515	1.8
113.02444	1.0
119.03429	0.5
127.03968	2.4
133.02954	3.5
134.03726	3.6
135.04504	46.0
137.02428	2.7
150.03221	0.8
151.03967	0.8
161.02408	8.3
161.04616	0.5
165.12825	0.6
169.69612	0.5
171.02985	0.5
173.04526	1.9
174.03163	1.1
177.01894	0.5
179.03482	17.5
183.13908	0.8
187.03940	0.6
191.05602	100.0
192.05965	2.8
214.06358	0.6
262.80438	0.5
289.18231	0.7
315.15848	1.8
390.38257	0.5
477.21368	11.7
669.27747	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03467	2.1
59.01376	25.7
61.98831	1.3
71.01373	14.7
73.02945	2.8
80.02670	1.1
81.03456	7.7
83.01381	1.8
83.05029	5.7
85.02962	5.5
87.00858	1.0
89.02444	7.1
91.16505	1.0
92.10113	2.0
93.03451	1.5
95.01414	1.4
95.05002	2.0
97.02919	13.0
97.06583	2.9
99.00877	1.9
101.02422	10.8
107.05064	1.6
109.02978	1.4
109.06575	44.9
110.03729	5.9
113.02431	2.9
116.63556	1.3
121.02903	5.5
121.06566	5.1
123.08154	2.0
125.09682	14.2
135.08116	8.5
136.05296	1.6
142.02670	4.8
161.04524	1.6
161.09682	4.9
163.11275	28.3
171.10220	1.8
175.11235	2.2
179.10712	1.7
181.12354	7.0
187.07800	1.1
187.09726	7.4
191.05646	5.2
191.10812	4.3
207.10255	100.0
209.11832	16.9
219.10219	4.5
223.09764	2.3
225.11298	42.4
235.13416	1.4
237.11299	1.9
253.09192	2.1
263.12866	2.8
265.10989	1.6
327.19556	2.5
353.21240	1.3
363.22220	1.6
369.20490	2.2
371.18402	3.8
371.22586	1.7
379.21130	1.4
387.21979	1.4
389.19675	7.4
397.20297	5.9
415.21106	12.9
433.22427	4.7
443.19012	1.9
461.20282	9.5
471.34573	5.0
507.36111	1.4
597.29199	2.0
607.27686	10.5
609.38342	2.6
625.28625	21.2
633.29114	6.8
651.30341	44.9
669.31299	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	669.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01375	4.4
71.01384	4.0
81.03427	0.5
81.99750	0.5
85.02930	11.7
87.00871	2.9
88.98792	0.8
92.10874	0.8
93.03426	8.5
99.86853	0.6
101.02438	1.0
101.77047	0.5
107.05041	0.9
108.02149	0.6
109.02899	1.9
111.04539	1.2
120.61749	0.5
127.03994	2.6
132.55638	0.6
133.02957	3.0
134.03720	3.6
134.11571	0.5
135.04501	41.7
136.04881	0.8
137.02394	3.2
151.04007	0.7
161.02440	6.6
171.03014	0.6
173.04482	2.7
174.03181	2.3
179.03465	18.4
183.13881	0.8
191.05592	100.0
192.05945	2.4
285.04095	0.8
311.16476	0.6
315.16095	1.1
326.11371	0.6
467.07941	0.6
477.21246	10.5
495.22089	0.7
669.27673	31.3
670.28247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.3
62.73829	0.2
67.01874	0.4
71.01366	1.7
72.98717	0.2
73.02930	0.3
75.64243	0.2
75.87413	0.2
80.80235	0.2
81.03443	0.3
83.05016	0.3
85.02931	12.2
85.84778	0.2
86.65892	0.2
87.00839	3.0
93.03429	4.6
99.04499	0.4
109.02934	1.4
111.04494	1.7
125.02446	0.2
125.23808	0.3
126.60461	0.2
127.03996	2.7
135.04518	0.9
147.04579	0.3
155.03554	0.3
171.02921	0.9
173.04538	1.5
174.03168	2.6
179.03519	0.3
187.03905	0.3
191.05597	100.0
192.05919	1.5
199.03981	1.0
213.05530	0.4
214.06404	0.3
222.62640	0.2
289.18085	1.2
300.67014	0.2
315.16010	2.4
448.88324	0.2
477.21289	15.7
478.21680	0.5
669.27655	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	667.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
71.01386	1.3
71.03178	0.6
71.05021	1.7
73.02966	0.7
83.05021	0.7
89.02439	0.9
93.03490	0.7
95.28931	0.7
181.07143	10.1
191.05467	1.0
369.28241	1.1
425.30600	1.2
437.30478	1.2
445.47552	0.7
454.38428	0.9
467.31558	12.5
485.32690	100.0
486.32910	4.2
487.33478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80624	0.2
57.10648	0.2
58.88333	0.2
59.01379	14.4
66.52962	0.2
73.68288	0.2
74.48454	0.2
81.03469	0.2
85.02974	0.4
93.03447	0.5
95.05032	1.1
96.96004	0.3
107.05062	0.3
109.02948	6.6
109.06586	4.4
119.05017	12.9
120.99634	0.5
121.02929	6.9
122.03713	1.2
133.02939	0.3
135.04510	5.9
137.06068	37.4
154.81023	0.2
163.03995	6.5
181.05055	100.0
182.05432	1.1
184.15529	0.3
191.05597	6.9
191.07178	0.4
269.04498	0.3
303.25177	0.3
325.09225	0.4
343.10324	36.2
344.10413	0.3
346.22296	0.2
444.04294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04227	0.1
57.03444	0.2
59.01380	2.4
66.22950	0.1
66.91797	0.1
67.01888	0.2
69.03477	0.2
71.01363	1.2
73.02948	0.3
81.03460	0.2
83.05022	0.7
85.02939	11.1
85.97839	0.1
87.00864	3.0
93.03446	3.3
94.33985	0.2
99.04509	0.3
101.02431	0.2
104.89248	0.2
108.02172	0.2
109.02946	0.9
111.04531	1.8
113.02499	0.3
125.02506	0.2
127.04000	3.0
135.04489	0.7
137.02441	0.3
153.01920	0.3
155.03481	0.6
171.02977	1.1
173.04544	1.7
174.03226	2.6
177.01945	0.2
180.29437	0.2
187.03983	0.3
191.05606	100.0
192.05971	1.7
193.06010	0.3
198.47322	0.2
199.03993	0.7
213.05630	0.4
214.06345	0.6
233.97752	0.2
272.14438	0.2
272.88446	0.2
289.18185	1.2
315.16064	2.2
433.22043	0.2
451.23227	0.4
477.21335	16.3
478.21564	0.3
495.22354	0.3
500.92477	0.2
574.98822	0.2
669.27643	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	667.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08835	2.0
59.01385	3.6
61.98841	3.0
71.01396	2.3
71.05029	3.0
83.05035	2.1
93.03457	11.8
96.54179	2.4
99.92532	2.2
120.46047	2.2
121.02950	17.3
123.04504	9.0
124.07384	2.2
133.02916	1.9
134.03722	2.4
135.04517	14.2
139.03990	24.0
149.02438	100.0
169.91809	2.2
181.16435	2.3
191.05583	11.7
278.68649	1.8
279.40799	2.2
357.59052	2.7
469.33353	4.7
487.34290	4.7
513.32227	8.7
532.93134	2.5
593.38770	4.8
605.37805	2.3
637.37512	11.9
667.38696	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82410	0.5
59.01375	1.1
59.92294	0.5
61.98824	3.3
63.80477	0.5
71.01384	0.9
72.63215	0.6
75.47823	0.5
83.05032	5.9
89.02441	0.8
93.03458	0.6
101.02399	1.8
131.82118	0.8
140.04477	0.6
181.07172	10.3
191.05527	2.3
204.33551	0.6
214.79370	0.6
266.83923	0.7
339.26910	1.0
357.27750	2.2
401.27466	0.9
405.31787	2.0
413.30646	1.3
421.31104	0.8
423.32629	2.4
437.30627	1.2
441.33813	2.3
455.31580	1.1
467.31628	18.4
468.32132	0.7
485.32721	100.0
486.32907	3.8
487.33289	0.7
540.03247	0.7
667.35883	0.9
683.41864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.2
61.98816	1.0
91.35073	0.8
92.63855	0.7
93.03442	0.9
115.83141	0.8
116.86121	0.7
116.92789	0.8
119.05040	1.0
135.04503	0.9
145.02928	1.4
176.14812	0.8
179.03482	0.9
191.05571	4.9
338.62405	0.8
370.11652	0.8
383.29532	5.7
401.30618	38.5
445.29590	100.0
446.29834	3.1
459.05215	0.9
461.36380	1.2
469.33188	1.4
519.33575	1.0
667.38495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60965	1.7
59.01375	3.1
61.98832	2.9
62.16438	1.4
64.47985	1.8
65.53777	1.5
82.58763	1.5
83.05076	1.6
93.03425	13.3
95.05031	2.0
95.92921	1.7
96.89462	1.9
96.96018	1.7
106.89280	1.8
107.05041	3.2
109.02948	2.7
115.82442	1.8
119.05029	1.9
121.02921	28.6
122.03772	5.4
123.04513	22.3
133.02913	9.0
134.03700	2.7
135.04523	23.6
137.02409	16.8
139.04001	30.8
143.38350	1.8
145.02893	2.8
148.01656	3.8
149.02426	100.0
151.03905	2.4
161.02368	8.1
167.03499	3.1
189.01857	3.7
191.05565	3.7
217.01410	2.5
250.23276	2.0
254.62599	1.8
289.52933	1.7
341.06686	2.5
430.85809	1.9
467.31497	3.0
469.33154	6.6
485.32904	11.8
487.34113	8.9
513.31818	8.4
593.38434	12.7
637.37347	54.4
649.37396	9.6
667.38794	55.4
668.38837	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	667.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87173	0.1
52.13625	0.1
53.11147	0.1
57.03441	0.8
59.01373	1.6
60.99307	1.8
67.01538	0.2
67.01884	5.8
69.03445	1.1
69.71340	0.2
71.01367	2.2
73.02911	0.2
74.26933	0.1
81.03445	1.0
83.05021	1.0
85.02937	5.2
87.00858	8.2
89.03957	0.3
90.05163	0.1
93.03439	34.3
99.00858	0.9
99.04494	0.8
104.61785	0.1
109.02931	0.9
111.04517	5.6
113.02427	0.7
117.03430	1.1
121.64381	0.2
123.04538	0.2
127.03976	1.8
129.01912	1.2
133.02911	0.8
134.03719	13.1
135.04474	0.8
137.02422	2.0
143.03490	0.3
149.06059	0.9
155.03453	1.2
160.01663	0.7
171.03008	0.2
173.04530	8.5
173.06052	0.3
175.03987	0.9
177.01926	0.2
178.02676	0.7
179.03442	0.2
191.05602	100.0
192.05948	0.7
193.05016	6.7
227.69576	0.2
281.06631	0.2
367.10327	27.2
465.65668	0.2
647.70911	0.2
667.19122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
60.99311	0.3
61.32066	0.2
61.75736	0.2
67.01905	1.1
69.03447	0.3
71.01373	1.1
73.40111	0.2
82.96407	0.2
85.02943	5.9
87.00854	2.6
90.21111	0.3
93.03438	10.0
96.96006	0.6
108.02136	0.3
109.02951	1.7
111.04521	1.4
127.04015	1.9
133.02928	1.1
135.04498	8.1
137.02382	0.9
153.01939	0.5
161.02422	2.9
171.02968	0.3
173.04518	6.9
179.03415	0.3
180.62128	0.2
182.11940	0.3
191.05597	100.0
192.05954	2.5
193.06035	0.4
195.65614	0.3
277.09042	0.3
341.08804	0.4
353.08875	3.2
371.09796	30.9
372.09927	0.6
500.67084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46727	0.5
59.01374	5.6
59.82920	0.6
60.67711	0.5
64.33788	0.6
67.01877	1.3
69.03436	1.1
71.01381	3.7
72.99271	0.7
73.02932	0.7
75.00878	1.6
81.03423	0.6
85.02943	11.0
87.00850	5.2
89.02446	0.9
93.03445	18.9
93.80360	0.6
101.02415	1.2
104.98017	0.6
105.45628	0.6
108.27387	0.6
109.02950	1.2
111.04502	3.6
116.92840	0.9
119.04987	7.9
123.04484	0.8
124.01682	0.9
125.02425	0.8
127.03976	3.8
134.03682	1.0
135.04503	22.8
137.02409	2.5
145.02892	0.6
150.69576	0.7
151.02376	0.7
151.03992	1.5
153.66432	0.7
155.03424	0.8
161.02422	1.5
162.03239	0.7
163.03976	3.3
165.12830	2.7
173.04568	4.8
173.05843	0.6
179.03542	5.4
191.05603	100.0
192.05869	2.5
199.03951	0.8
237.06059	0.8
237.39854	0.7
272.15137	0.6
316.12692	0.6
445.20630	0.8
459.79880	0.6
475.19739	15.1
551.54596	0.7
579.52155	0.9
667.26324	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	667.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20340	0.5
59.01384	14.0
61.86062	0.6
61.98825	1.0
63.16214	0.6
63.65791	0.6
85.02934	0.9
87.07918	0.7
93.03424	0.9
107.66539	0.6
116.92872	0.8
121.02918	2.9
135.04446	0.8
165.01935	0.7
191.05688	2.5
210.81834	0.7
223.84238	0.7
238.37981	0.7
257.32657	0.8
324.75693	0.8
383.29385	5.3
401.30579	63.4
402.30762	1.5
445.29593	100.0
446.29810	1.2
519.44708	0.7
667.37439	1.6
684.95721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3911
Annotation	Bellericoside
Peak:m/z	Relative Intensity
53.56739	0.3
57.03444	0.5
58.00591	0.9
59.01374	8.5
59.07824	0.3
61.98823	1.6
69.03423	0.6
71.01373	4.4
71.05012	3.4
72.99294	2.8
83.04993	0.6
85.02948	2.0
87.00868	0.6
89.02423	2.1
89.20125	0.4
92.10207	1.0
93.03426	0.8
101.02430	1.8
116.92832	1.7
125.09662	2.0
132.01901	0.4
135.04524	0.6
191.05595	3.2
213.14925	0.5
270.84869	0.4
339.27188	0.6
377.32187	1.7
383.33298	2.0
395.33276	7.8
397.31302	4.8
413.34283	11.3
423.32590	2.3
439.32202	2.1
441.33685	16.7
442.34564	0.6
457.33246	12.3
458.33542	0.7
459.34799	35.5
460.35089	0.7
485.32773	13.9
486.33429	0.7
503.33759	80.4
504.34027	4.3
517.35327	2.0
545.34827	9.5
563.49097	0.4
665.39056	100.0
666.39417	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	665.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87042	1.5
52.03302	1.5
52.14527	1.6
54.81477	2.1
59.01376	7.3
61.98844	3.0
65.18089	1.7
71.01359	2.4
75.88233	1.6
83.05046	4.3
85.02990	1.7
129.74243	1.8
139.21840	1.8
145.02943	2.4
151.00394	6.9
178.99826	2.6
191.05672	2.0
277.21655	2.9
361.74417	1.8
403.29932	1.8
421.30884	3.5
427.89709	2.0
453.30164	2.8
465.29892	20.6
470.77213	2.0
483.31204	100.0
485.31522	2.0
503.33762	13.8
535.67151	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	667.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.9
63.75887	0.2
67.01884	0.2
69.03458	0.2
71.01392	0.4
73.02934	0.2
81.03449	0.3
85.02940	6.5
87.00855	1.4
93.03438	3.5
104.50093	0.2
109.02945	1.2
111.04523	1.4
127.04000	2.3
133.02922	1.5
134.03731	0.2
135.04486	2.4
137.02472	0.2
150.03151	0.3
151.03998	27.9
161.02408	1.9
171.03004	0.9
173.04526	2.2
179.03479	1.1
191.05605	100.0
192.05945	1.4
296.80032	0.2
313.09283	5.8
351.07239	0.2
353.08746	10.4
408.30664	0.2
595.60999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07064	0.1
53.30622	0.1
57.03436	0.8
59.01376	1.3
60.99302	1.6
67.01881	4.5
69.03428	1.4
71.01369	1.7
71.18580	0.1
73.02927	0.2
77.22411	0.2
81.03455	1.2
83.05022	1.1
85.02935	5.7
87.00859	8.7
87.01402	0.3
91.13765	0.1
93.03436	33.8
94.03769	0.2
99.00861	0.3
99.04497	0.9
101.02437	0.2
109.02940	0.8
111.04508	4.9
113.02447	0.6
115.03976	0.2
117.03441	1.1
123.04511	0.3
125.87865	0.2
127.03985	1.8
129.01915	1.0
129.23212	0.2
133.02925	1.1
134.03716	14.0
135.04478	0.6
137.02396	1.6
143.60800	0.2
149.05991	1.1
151.04077	0.2
153.05472	0.2
155.03477	1.2
160.01608	0.4
161.02408	0.4
171.02998	0.7
173.04523	10.4
174.99818	0.2
175.03999	1.1
177.01917	0.3
178.02643	0.3
191.05598	100.0
192.05956	0.8
193.05034	6.8
265.81705	0.2
367.10333	27.2
368.10995	0.2
505.13425	0.3
543.86981	0.2
667.19269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29668	0.6
54.81335	0.6
55.01899	8.3
57.03453	5.0
58.00603	1.5
58.71852	0.7
59.01383	92.9
61.98832	1.3
71.01377	47.1
72.99294	3.1
73.02940	9.8
81.03448	1.4
83.01383	8.9
85.02943	27.1
85.06580	1.2
86.00107	0.8
87.00864	4.1
89.02430	23.5
89.02961	1.2
92.10833	2.2
95.01385	3.1
96.96005	0.7
97.06596	1.7
97.80833	0.7
99.00871	3.8
101.02427	39.4
109.02981	1.3
111.00821	2.9
111.04517	0.7
113.02440	19.2
116.92826	7.5
119.03460	8.1
121.02970	1.2
123.04512	3.7
125.02418	1.5
129.01897	1.4
131.07101	3.2
135.04533	1.4
137.02463	0.8
143.03514	0.9
149.06067	1.2
159.10257	4.8
161.04523	1.0
165.12901	1.6
177.01851	0.9
183.13896	1.1
191.05568	10.5
209.11887	5.5
213.18488	1.2
227.12894	0.9
229.08554	2.9
255.06255	0.9
269.07877	1.0
285.03656	0.8
288.05878	0.8
289.28485	0.7
289.89304	0.8
293.12415	1.0
305.24808	1.5
314.11697	1.6
326.11713	0.8
329.13797	5.5
332.44431	0.8
335.25302	0.9
341.13931	3.2
341.26837	4.0
467.30182	3.5
485.24237	0.9
496.36481	0.8
503.25174	2.1
503.32037	14.4
511.25815	0.8
603.24329	3.8
621.29962	0.9
665.37567	100.0
666.38434	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	665.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74381	0.3
56.31644	0.3
59.01386	1.5
71.01366	0.4
77.10210	0.3
92.10146	1.0
94.24611	0.3
98.98697	0.4
111.08177	0.5
116.92846	0.5
121.02942	0.6
123.83858	0.3
165.11429	0.7
165.12831	17.7
183.13893	100.0
184.14259	0.9
191.05576	1.5
209.11726	0.6
227.12892	65.2
228.13324	0.5
323.84497	0.4
399.38834	0.4
441.33890	0.5
503.34116	0.8
563.42346	0.4
644.40424	0.4
665.39148	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	665.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77055	0.9
55.01882	4.7
57.03452	5.4
59.01373	100.0
65.90506	0.9
69.03461	1.9
71.01367	52.6
71.01736	1.9
72.99302	2.1
73.02925	21.3
73.03260	1.2
76.70892	1.0
83.01380	11.0
85.02931	28.3
85.03412	1.6
87.00884	4.4
89.02432	8.9
91.81959	1.1
95.01383	8.1
96.95992	1.4
97.02953	2.3
99.00863	9.3
101.02419	35.4
111.00893	1.2
113.02425	28.1
114.85909	1.1
125.02422	5.3
135.04533	1.6
143.03476	3.9
159.03000	4.4
161.04535	11.9
191.05547	8.0
203.05692	1.0
216.35632	1.0
331.17593	7.6
373.18640	1.5
456.28735	1.1
475.21844	20.7
493.22867	13.0
517.22998	11.5
535.23981	64.1
561.29657	1.5
577.24994	27.7
579.30371	1.6
617.84180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61342	6.6
59.01391	50.7
61.98845	30.1
67.55434	7.5
71.01374	7.9
78.95901	8.9
82.56148	7.0
85.02980	10.7
85.46419	6.8
87.70791	7.3
93.03477	12.6
115.65585	8.5
116.92866	100.0
119.04992	7.5
119.92082	9.9
122.51097	7.9
126.26882	8.1
135.04553	10.8
145.02939	8.9
177.01900	10.4
191.05536	63.7
192.06053	7.7
197.02214	10.6
255.02803	8.3
405.31503	10.7
421.31165	38.8
423.32504	33.5
437.30640	11.7
455.31857	69.2
467.31979	13.5
473.32788	14.7
503.33398	14.2
665.35168	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15718	0.3
53.83303	0.3
59.01388	0.9
60.00764	0.4
61.98822	5.2
71.01356	0.4
84.93499	0.4
87.04520	2.3
90.15459	0.5
91.15830	0.5
110.96957	0.4
117.03449	21.0
119.05006	18.9
121.02959	4.2
123.04488	0.7
133.02924	1.0
135.04448	0.5
145.02945	100.0
146.03340	0.8
161.02415	2.3
163.03979	0.7
191.05510	0.7
207.91425	0.4
240.50732	0.5
281.72897	0.4
366.80728	0.5
371.26010	3.6
381.48926	0.5
471.30994	0.6
501.32343	0.9
503.31686	0.6
517.29517	6.5
535.30780	3.4
575.33508	0.5
583.32159	2.0
585.35706	0.8
591.36438	0.7
603.37024	2.0
635.35938	19.8
665.36884	32.4
666.37164	1.8
688.30573	0.5
691.37433	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	665.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60830	0.3
54.81176	0.4
55.58215	0.4
59.01376	1.9
64.33807	0.6
67.01889	1.9
68.71962	0.4
69.03452	0.4
71.01363	1.5
78.95917	0.4
83.02378	0.4
84.18636	0.4
85.02951	6.5
87.00867	3.6
93.03446	11.7
95.93623	0.4
96.96003	3.2
108.02208	0.8
109.02949	4.7
111.04517	2.3
121.02942	0.9
123.04508	0.9
127.04000	1.8
133.02943	6.8
134.52043	0.4
135.04510	9.0
136.01662	0.5
137.02414	0.5
139.04013	1.8
151.04004	1.8
165.01862	0.6
173.04538	8.7
177.01947	3.0
181.07161	0.5
191.05605	100.0
192.05830	0.8
217.64063	0.5
309.11786	0.7
339.07303	3.2
341.08725	1.6
344.36969	0.5
353.08884	1.1
355.10330	2.1
369.08289	2.5
371.05679	0.7
371.09802	21.0
465.45190	0.5
536.85950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41950	0.5
53.91814	0.5
55.01884	0.6
58.00600	0.8
59.01379	40.4
71.01374	19.3
71.01743	0.8
72.99317	2.5
77.63521	0.5
81.55414	0.5
83.01406	2.4
85.02940	7.8
87.00867	5.8
89.02428	16.3
92.10811	0.6
92.62284	0.6
93.03445	4.3
95.01388	1.1
99.00859	7.7
101.02425	11.1
102.73509	0.5
109.02955	3.0
111.00874	1.0
111.04491	0.9
113.02425	6.3
115.00343	13.5
119.03489	5.7
119.04189	0.6
119.05022	3.5
121.02925	0.8
127.03901	0.7
131.03461	0.7
133.02893	4.4
135.04482	3.5
139.00363	3.7
145.02974	0.6
147.04506	99.0
149.06061	10.7
157.01402	0.8
159.03009	1.0
159.04440	0.6
161.02429	15.3
161.06082	2.9
165.01823	0.7
165.05548	14.0
173.04605	1.0
174.03195	0.7
175.02463	8.6
175.03972	2.2
177.01894	12.9
177.05527	0.6
179.03485	2.9
189.05615	1.0
191.05592	32.5
192.05881	1.1
206.02187	3.1
211.07660	0.9
219.02972	2.4
223.17331	0.6
227.07201	0.8
227.10373	0.6
233.04552	11.6
237.04037	2.7
277.03500	18.5
284.90155	0.9
317.06549	0.9
319.04556	8.0
327.10852	100.0
328.11533	0.9
330.18878	0.6
337.05548	6.3
353.08557	1.2
499.10596	0.6
665.18005	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
56.57742	0.4
59.01373	33.7
59.82512	0.4
70.91492	0.4
71.00987	0.7
71.01369	15.8
72.99293	2.1
73.02959	0.5
74.43332	0.4
83.01379	2.6
85.02943	4.4
86.45729	0.4
87.00851	3.5
89.02427	17.8
93.03419	3.3
99.00860	5.8
101.02422	10.3
107.35461	0.4
109.02931	2.1
109.92712	0.5
111.00861	1.0
111.04497	0.5
113.02430	6.2
115.00363	10.0
119.03477	4.7
119.05010	4.7
121.02970	0.6
125.02461	0.5
131.03523	0.4
133.02927	2.5
135.04501	2.7
139.00371	2.5
143.04964	0.6
145.02960	0.8
147.04506	84.1
149.06059	8.8
157.01447	1.6
159.03041	0.6
161.02403	13.3
161.06036	2.6
162.03209	0.6
163.03894	0.5
165.01865	0.9
165.05544	12.8
174.03270	0.6
175.02457	6.1
175.03973	2.4
177.01900	12.0
179.03499	0.9
189.05499	1.1
191.05592	19.7
203.03375	0.6
206.02139	3.0
209.00922	0.6
211.07607	1.0
219.02968	2.3
233.04509	11.7
237.04167	0.9
275.05457	0.6
277.03488	15.8
293.06598	0.9
319.04559	8.6
327.10846	100.0
328.11295	1.9
337.05591	6.0
339.05063	0.5
353.08783	1.0
499.11102	0.8
505.45477	0.5
665.19275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.39
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20029	0.9
72.28799	0.8
76.55399	0.9
78.95895	1.2
100.28571	0.8
105.03455	6.3
107.08089	0.7
113.70119	0.8
128.67923	0.8
132.02142	12.0
133.02943	40.4
134.03720	13.3
135.04523	0.9
141.46979	0.8
148.66611	0.8
149.06038	3.4
160.00304	1.5
160.01643	55.3
161.02432	3.9
175.03990	58.1
177.01996	6.9
193.05037	10.6
195.33478	0.9
338.07385	0.9
352.17633	0.9
469.32922	4.0
557.54993	0.9
604.37628	1.2
613.36865	0.9
619.40045	1.6
645.37598	3.5
648.36664	5.4
663.39063	100.0
664.39246	4.6
670.46814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12342	1.1
57.18602	0.8
95.05029	1.5
95.71548	1.2
105.03467	2.7
112.02647	1.0
132.02136	14.3
133.02942	25.1
134.03711	13.2
137.02406	1.3
147.04491	1.5
149.06052	8.2
160.01645	95.5
161.02431	8.1
164.04799	1.2
175.03984	90.6
177.01854	2.6
179.03357	1.4
214.53853	1.1
267.34872	1.2
268.73883	1.1
374.85065	1.4
469.33414	1.6
505.29889	1.5
648.37988	1.1
663.39093	100.0
664.39166	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	663.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25296	0.4
58.96481	0.3
71.05020	0.9
74.54387	0.4
92.10796	0.5
95.05029	0.7
105.03443	2.3
109.01278	0.4
111.21592	0.4
119.04996	1.0
121.02872	0.6
132.01228	0.5
132.02151	11.9
133.02940	24.8
134.03722	14.1
135.04491	0.6
136.01575	0.6
147.04495	1.9
149.06085	5.7
153.05574	0.7
160.01645	80.4
161.02454	8.0
164.91681	0.5
175.03987	81.0
176.04318	0.6
177.01932	3.3
178.02641	0.6
192.04207	0.7
193.05052	1.9
245.41345	0.5
314.29132	0.5
345.09592	0.5
385.20142	0.8
385.80026	0.5
469.33298	2.5
505.29803	1.6
519.31116	0.7
619.39880	0.9
648.37097	0.8
663.39081	100.0
664.39362	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	663.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81104	0.2
57.03447	0.3
59.01374	1.4
59.74841	0.1
60.99314	1.0
67.01880	2.9
69.03451	1.0
71.01364	1.8
73.02977	0.2
74.99133	0.1
81.03445	0.7
83.05034	0.7
85.02934	5.1
85.03411	0.2
87.00857	6.5
93.03437	23.2
94.03811	0.1
99.00876	0.7
99.04535	0.3
109.02953	0.9
109.95324	0.1
111.04501	4.3
113.02439	0.4
119.05004	9.1
127.03989	1.6
128.52945	0.2
129.01927	0.8
132.23404	0.2
133.02921	0.2
137.02446	0.2
144.73175	0.2
145.02914	1.7
155.03494	0.8
161.68381	0.1
163.02617	0.3
163.03987	8.5
168.37025	0.1
171.02972	0.4
173.04526	9.9
176.18434	0.2
191.05600	100.0
192.05942	1.2
211.07675	0.7
236.37134	0.2
337.09305	24.8
338.09525	0.3
375.82599	0.2
447.83685	0.2
663.18536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3752
Annotation	4-Epipinfaensin
Peak:m/z	Relative Intensity
50.14169	0.5
50.71239	0.7
58.00578	0.8
59.01374	16.1
61.98805	1.0
69.03455	0.8
71.01370	7.5
71.05009	3.6
82.17204	0.8
85.02941	4.0
87.00872	1.7
89.02450	4.5
93.03455	1.0
96.96007	1.7
101.02428	1.8
113.02468	1.2
116.92844	1.0
135.04498	5.2
151.77605	0.8
161.02490	0.8
166.09579	0.7
179.03497	1.3
191.05595	13.1
193.27745	0.7
209.11794	1.3
321.89383	0.9
369.31552	4.3
394.16333	0.9
404.37915	0.9
411.32645	14.1
429.33688	17.5
439.32159	1.7
455.31274	1.2
455.57486	0.8
457.33530	6.6
473.32791	3.3
483.30826	1.3
501.32315	30.1
543.33270	1.4
663.37573	100.0
664.37366	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	663.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82187	0.7
54.81489	0.8
57.03452	0.8
58.00579	0.7
59.01377	12.2
67.01881	0.8
71.01377	11.5
72.98586	0.8
72.99320	1.1
83.01377	7.9
85.02972	4.3
85.54837	0.9
87.00861	10.0
89.02439	4.9
90.83485	0.8
92.10854	2.1
93.03442	7.5
94.92207	0.8
99.00865	21.4
99.01475	1.3
101.02440	3.1
101.26900	0.8
101.27590	0.8
109.02953	14.0
111.00920	1.5
113.02441	1.8
115.00357	38.6
119.05016	15.4
121.02949	1.2
121.06586	1.9
123.04549	1.0
125.02391	1.4
133.02936	11.5
135.04533	10.9
137.05984	1.2
139.00378	5.9
145.02950	2.0
147.04486	8.5
148.05331	3.3
148.63828	1.1
149.02490	1.7
149.06064	100.0
150.03181	0.9
157.01384	5.1
159.03044	1.5
159.04407	2.4
161.02422	46.9
161.06058	4.5
163.04001	14.2
165.01904	3.8
165.05576	4.4
171.04585	1.2
173.04558	2.0
174.03198	2.0
175.02437	19.2
175.03975	14.8
177.01907	41.4
177.05466	1.5
179.03421	5.9
181.04924	1.2
187.03961	2.0
189.05534	5.8
191.03708	1.7
191.05598	33.0
193.05055	10.5
205.05032	5.2
206.02217	10.2
211.07533	1.2
219.02966	23.5
233.04555	32.1
237.04027	24.4
275.05731	1.1
277.03525	47.5
278.03763	1.6
293.06741	7.7
304.87137	1.0
319.04584	19.5
337.05679	44.4
337.14969	10.8
394.37701	0.9
445.34625	1.1
625.14722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3748
Annotation	Yungensin E
Peak:m/z	Relative Intensity
55.67914	1.5
59.01382	8.0
60.04405	1.6
83.05035	3.0
86.50997	1.5
99.56070	1.8
132.02161	13.9
133.02965	28.0
134.03729	16.4
141.01732	2.1
149.06071	6.0
160.01643	84.9
161.02478	3.9
167.56143	1.8
175.03984	85.4
177.01892	3.8
178.02835	1.9
187.94469	1.7
191.05600	2.2
193.31836	1.5
292.28040	1.6
324.96307	1.8
617.38690	2.8
661.37512	100.0
662.38013	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3747
Annotation	Yungensin E
Peak:m/z	Relative Intensity
51.47828	1.2
52.26900	1.4
61.98834	1.7
76.47672	1.5
78.95862	1.9
81.34373	1.5
81.36199	1.7
81.36657	1.5
83.05033	3.2
87.14818	1.4
105.03445	2.7
105.57011	1.6
110.06581	1.6
115.69456	1.6
119.05087	1.6
132.02167	14.8
133.02943	27.0
134.03699	19.3
135.62123	1.6
145.02971	1.9
146.01819	1.7
149.06052	9.0
152.99600	2.1
160.01642	91.6
160.70320	1.6
161.02432	7.7
175.03976	83.8
177.01881	2.6
217.11752	1.7
255.23274	1.9
281.45175	2.0
599.37177	2.1
617.37805	1.8
661.37537	100.0
661.48828	3.4
662.37854	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	661.3958
Annotation	Soulieoside C
Peak:m/z	Relative Intensity
50.13790	0.4
50.50960	0.4
59.01380	100.0
60.36897	0.4
63.98787	0.5
68.15805	0.5
85.02962	0.8
93.03365	0.5
101.02423	1.4
131.03484	4.4
151.29694	0.6
156.69643	0.6
161.02644	0.5
191.05630	1.1
193.68861	0.6
215.12639	0.5
252.54402	0.6
255.23157	0.8
282.14548	0.6
319.16498	0.6
370.95840	0.6
601.37476	9.5
633.54553	0.7
661.39117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13240	1.0
55.34283	1.0
57.02346	1.1
59.01379	4.4
61.98812	1.1
64.22942	1.1
69.08010	1.1
76.41462	1.0
78.95896	1.8
82.95415	2.0
84.95112	8.3
85.02936	1.3
87.27013	1.2
138.97954	1.7
165.01776	1.3
169.12325	1.4
174.99191	1.3
191.05554	5.0
241.70416	1.2
251.67816	1.3
312.94858	1.3
358.41876	1.3
409.31247	1.6
453.29733	1.2
457.32922	1.8
485.32364	1.4
503.33600	2.6
661.32739	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	661.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01381	20.4
61.98836	3.0
62.49783	2.3
71.01369	49.5
71.25431	2.0
74.90852	2.1
78.40020	2.0
83.01392	3.4
85.02927	3.9
87.00866	4.5
89.02475	2.6
92.10188	6.1
99.00864	25.4
111.00878	10.1
112.98801	81.6
114.37514	3.0
115.00317	5.6
124.98781	11.1
129.01941	3.0
142.58328	2.3
142.99841	100.0
145.01398	2.6
171.10327	2.6
173.00894	68.1
189.95860	2.5
191.05580	5.4
333.98849	2.5
469.33072	3.3
487.34308	15.6
601.33917	11.6
661.33563	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	661.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.1
59.01578	2.1
67.01949	2.5
67.93396	2.5
69.12045	2.6
71.01381	15.6
81.03492	3.1
85.02946	5.9
89.02463	3.7
93.03452	6.2
96.96023	12.0
99.00849	2.7
106.06655	3.0
107.03743	3.0
109.02933	5.4
110.06110	14.6
113.02517	3.1
122.06077	55.7
123.04536	5.0
124.04021	2.7
125.02355	3.7
134.06082	13.1
135.04471	30.5
146.06192	3.3
160.06375	5.4
161.02483	3.1
173.04648	4.8
174.05585	13.8
179.03517	11.3
180.06657	6.1
191.05592	43.7
201.10327	3.3
202.99792	5.2
205.08687	3.4
213.10339	34.7
223.08745	4.9
225.10292	5.5
226.11041	3.1
237.10443	3.5
239.11864	36.9
241.13446	31.1
251.08386	3.5
251.11864	18.8
255.06491	3.3
263.08353	6.1
263.11673	5.4
264.08981	6.2
265.09781	16.7
267.11172	3.8
271.10785	3.6
277.09689	4.4
278.10403	3.0
279.07828	3.3
279.11383	22.4
280.12030	4.0
283.10760	5.1
284.20651	2.9
285.12463	71.8
291.07956	3.0
291.11383	14.6
292.08527	24.7
293.09351	15.2
293.12924	10.6
306.10193	10.4
307.10904	78.9
308.11649	25.2
311.10416	3.8
337.03433	2.7
340.10675	11.6
343.13177	4.4
350.09207	19.5
351.09857	48.7
356.13925	11.6
370.15631	12.7
398.15082	16.2
412.16678	16.7
413.17490	13.6
429.16537	3.9
430.17715	15.7
448.18594	6.5
463.10284	4.5
474.16467	4.5
492.17737	21.1
506.19360	29.7
515.21539	3.3
535.23523	13.9
538.22040	53.1
553.24646	53.9
597.23260	33.3
611.24402	4.1
629.26227	100.0
661.29193	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15890	3.2
59.01374	45.5
61.98826	27.4
67.23126	3.4
71.01377	10.1
73.14597	3.6
85.02939	5.4
96.95988	8.7
110.06074	8.5
119.04984	4.2
122.06106	76.7
134.06102	19.7
135.04405	13.7
136.07674	4.8
140.36366	4.6
141.01698	8.7
144.21341	4.3
150.35492	3.7
152.07126	4.6
160.06361	5.3
180.06601	9.8
188.07202	9.3
191.05589	44.3
201.10297	4.9
209.11911	5.4
213.10373	36.4
239.11978	34.0
241.13492	34.5
251.08189	4.9
251.11891	5.1
253.09718	5.4
264.08408	4.3
265.09894	5.0
267.11218	4.4
279.07727	5.1
279.11285	7.5
285.12402	100.0
291.11270	5.8
292.08578	4.5
293.09528	6.2
293.12836	9.3
301.11896	4.4
307.10846	27.0
308.11469	8.0
311.10272	6.7
351.09970	8.8
356.13788	6.6
398.15430	5.6
406.17743	8.8
418.53897	4.4
419.18796	5.3
432.15298	15.9
447.18069	17.6
448.18958	29.9
462.20166	7.5
474.16882	6.5
491.17059	7.4
492.17944	37.1
506.19165	25.7
511.23218	6.7
538.22144	34.7
553.24866	46.0
585.27069	56.1
597.23230	21.5
629.26337	82.5
630.26025	5.1
661.28564	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	41.9
62.81487	4.2
63.45639	3.7
71.01377	8.3
81.08118	4.4
85.02956	9.2
90.50198	5.2
93.03421	8.6
96.95979	11.2
106.06557	4.5
109.02923	6.5
110.06118	6.2
113.02480	4.9
116.92857	5.1
117.41138	4.6
120.08169	4.6
122.06108	57.7
123.04462	8.0
123.21793	4.6
134.06125	10.9
135.04492	31.9
151.00250	5.0
152.04247	4.3
160.06378	7.5
161.02359	5.6
173.04652	4.7
174.05576	20.1
177.01907	5.1
179.03345	8.0
180.06699	5.4
180.76616	4.9
185.01375	5.3
188.07224	5.5
189.01895	7.2
191.05579	53.3
202.99893	4.6
213.10318	32.4
215.12006	6.3
217.01451	7.3
229.08690	5.9
239.11882	38.3
241.13397	25.7
251.08260	6.8
251.11885	11.4
264.09015	18.0
265.09802	17.4
279.08286	5.5
279.11380	24.3
285.12424	83.8
292.08447	26.9
293.09232	9.5
306.10013	5.8
307.10849	57.6
308.11560	19.1
340.10519	7.4
341.06729	6.7
350.08990	19.0
351.09869	48.3
356.14157	9.6
370.15552	26.1
398.15085	21.7
412.16742	19.8
413.17480	9.1
430.17456	8.9
463.10388	8.1
492.17715	22.1
506.19403	32.3
535.23267	8.7
538.21948	58.3
553.24554	52.9
557.22369	5.5
597.23505	50.7
629.26282	100.0
661.28888	41.9
669.77966	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	659.3113
Annotation	Coproporphyrinogen I
Peak:m/z	Relative Intensity
52.52811	1.6
54.07645	1.8
56.97000	1.4
57.33962	1.9
59.01373	3.6
71.03186	1.7
78.95888	4.7
92.17966	1.7
116.92832	2.1
135.04471	2.8
156.30798	1.8
191.05627	13.7
213.99248	2.2
251.32967	1.8
264.81982	2.2
268.87961	2.1
434.05331	2.1
453.30063	7.4
551.27252	2.1
569.27991	17.1
629.30206	29.2
659.31207	100.0
660.31158	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	659.3113
Annotation	Coproporphyrinogen I
Peak:m/z	Relative Intensity
59.01372	2.6
63.52755	1.5
67.93351	1.3
71.01373	1.7
78.95857	3.5
138.97995	2.4
153.68179	1.8
183.13875	1.7
191.05569	8.7
379.30008	2.0
391.30038	2.1
409.30814	2.1
600.23151	1.6
659.31122	100.0
660.31262	3.1
665.80389	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03452	2.5
57.25302	0.6
59.01375	14.7
61.98820	0.9
71.01379	6.4
73.02930	1.5
79.95001	0.7
80.02675	1.0
81.03444	0.9
83.01376	0.7
83.05012	6.5
83.97337	0.6
84.02159	1.3
85.02946	2.5
87.00867	1.1
89.02436	5.3
92.10799	2.8
93.03445	1.6
95.01345	0.8
95.05022	0.7
96.95980	1.1
97.06565	7.4
99.00880	1.2
101.02412	6.6
113.02422	3.1
114.37586	0.7
119.03477	1.0
123.47987	0.6
135.04469	1.4
137.02417	2.7
137.60217	0.7
151.10120	1.2
151.11263	22.0
159.04303	0.7
161.04512	1.3
163.11240	3.8
165.12798	1.6
169.12317	100.0
175.48264	0.8
191.05598	6.4
195.10237	2.9
209.11818	74.3
213.11349	12.0
217.01523	0.7
227.12875	6.2
228.31157	0.7
232.73964	0.6
235.08252	0.9
243.06583	0.9
253.09193	4.5
399.50287	0.9
431.19040	1.5
449.20438	5.9
497.28888	0.9
592.04486	0.7
641.31970	2.6
659.32867	85.3
660.32733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10023	0.1
57.03439	0.1
59.01375	0.7
60.99303	0.1
61.99427	0.1
62.07660	0.1
67.01884	0.4
68.61994	0.1
69.03464	0.1
71.01395	0.5
73.02946	0.1
75.84910	0.1
75.90810	0.1
79.91920	0.1
83.04974	0.1
85.02937	6.4
87.00853	1.5
89.73260	0.1
90.66321	0.1
92.54986	0.1
93.03439	3.1
98.87536	0.1
99.00834	0.1
99.04516	0.1
99.48192	0.1
109.02941	0.3
111.04494	1.3
113.02426	0.1
117.03412	0.1
119.04993	0.9
127.03966	1.6
128.62422	0.1
135.04471	0.1
145.02896	1.1
155.03468	0.1
163.04033	0.9
170.32655	0.1
171.02975	0.4
173.04510	1.6
191.05606	100.0
192.05954	0.9
204.27730	0.1
219.57475	0.1
315.62167	0.1
337.09299	17.4
338.09723	0.2
344.50665	0.1
491.24713	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	659.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47838	0.5
54.82566	0.5
56.15250	0.4
57.33635	0.4
58.60785	0.5
59.01371	0.9
67.01880	0.8
69.30957	0.4
71.01375	0.8
77.71566	0.5
81.03503	0.6
85.02942	7.4
87.00853	3.8
93.03432	12.1
95.04991	0.9
100.68938	0.6
105.03441	3.4
109.02934	4.1
111.04508	2.4
127.03985	2.6
129.93881	0.5
133.02933	17.9
135.04495	8.5
136.38589	0.6
140.44168	0.5
159.04561	0.9
161.02394	3.2
163.03964	0.8
173.04538	6.4
177.01964	4.5
179.03366	4.1
185.02382	0.8
191.05598	100.0
192.05966	3.0
192.99583	2.9
193.99963	0.6
195.24097	0.7
203.03500	0.7
215.05603	4.1
217.31895	0.6
229.01353	2.7
265.04886	0.8
267.06342	1.0
293.04544	0.6
295.06088	3.1
307.04559	8.1
322.90060	0.5
339.04843	2.4
351.07141	9.6
353.08609	7.6
355.48572	0.6
467.09732	1.1
513.10571	0.6
646.83545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	79.4
74.26736	0.5
78.55386	0.4
132.98187	2.5
157.03549	1.2
159.01471	0.8
172.99460	0.5
174.99229	32.9
201.02565	18.5
217.00293	100.0
218.00655	0.5
220.80573	0.5
249.46574	0.5
259.82568	0.5
297.89972	0.5
359.01459	23.5
374.99228	32.6
407.11624	0.5
517.00671	5.0
542.45850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
59.24843	1.4
61.00311	1.5
61.07567	1.3
71.01381	2.3
85.02948	2.3
89.02431	2.7
125.74342	1.6
162.83711	1.9
165.12811	11.2
183.13879	100.0
191.05573	7.3
211.11505	3.4
211.13405	75.1
224.48026	2.1
227.12735	2.2
235.08014	1.9
253.09206	6.2
265.05121	1.8
303.61237	1.9
311.05731	2.3
546.82178	1.8
657.34973	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.8
61.98853	1.7
71.01378	2.3
74.66402	1.1
83.05048	7.0
85.02970	1.5
89.02453	2.1
93.03458	1.4
96.96011	1.6
101.02452	2.9
124.27358	1.1
125.02391	2.0
161.02444	1.2
161.04642	1.4
163.11240	4.4
165.12840	1.2
167.49074	1.2
183.13841	6.3
191.05600	10.2
193.12395	1.8
209.11830	100.0
211.13396	74.9
227.12776	8.6
235.08252	1.5
245.91032	1.2
253.09254	7.4
264.19974	1.5
279.23370	1.8
293.04568	1.5
302.35272	1.3
311.05624	1.4
337.03574	1.4
415.32312	9.5
442.06204	1.5
447.22452	1.8
469.57434	1.3
597.27155	1.9
657.29858	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	657.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
84.75125	0.5
89.03716	0.5
99.92558	9.4
114.02870	0.4
116.92841	100.0
117.92861	0.9
141.29182	0.4
152.30566	0.5
165.30988	0.5
211.09352	0.6
225.90065	0.5
258.16284	0.5
320.81631	0.5
356.11456	0.5
390.06314	0.5
391.96237	0.5
517.07501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61053	1.6
55.46497	1.5
59.01387	10.8
69.03426	1.9
71.01388	4.6
73.11642	1.8
78.95875	2.7
80.91675	2.4
83.05019	8.9
85.02940	2.4
93.03545	3.1
101.02421	2.4
106.71706	1.9
163.11221	2.8
183.13878	9.3
191.05591	11.4
193.12289	2.1
199.02888	2.9
209.11848	56.1
211.13388	100.0
227.12828	9.6
246.70326	2.4
253.09293	8.6
341.31165	2.1
412.10245	2.6
447.22629	2.5
549.25183	2.9
556.77942	2.1
567.26459	3.4
597.27582	19.7
610.65033	2.5
657.29413	41.7
657.39148	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	657.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64624	0.5
58.80464	0.5
59.01373	4.7
61.98818	1.2
65.00333	0.6
71.01370	1.0
75.38049	0.6
78.42860	0.6
85.02959	0.7
93.03442	1.1
99.07188	0.6
101.02448	0.7
107.01371	2.6
107.05038	0.5
109.02924	1.1
121.02947	0.7
122.03754	0.6
124.01590	0.8
125.02422	0.7
131.19008	0.6
133.02934	10.9
135.04515	0.7
147.98529	0.6
149.02429	3.2
151.00388	5.2
175.03955	3.6
191.05635	4.8
198.03185	0.9
199.03972	0.9
201.02019	0.9
209.11818	2.3
211.13484	2.1
213.05510	0.8
217.05066	1.1
227.06081	0.6
243.02812	0.7
267.02734	0.7
285.04037	100.0
286.04333	1.0
293.04514	0.6
311.05673	1.1
484.00806	0.6
597.39905	0.9
621.40295	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	657.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42392	1.0
55.38391	0.9
59.01374	12.7
61.37322	0.9
64.98691	1.0
67.01899	1.1
71.01383	1.0
75.48080	1.0
85.02960	4.3
93.03432	2.4
96.96004	1.2
109.02966	2.1
116.92850	1.4
120.30874	1.0
121.05349	1.7
122.06126	11.1
133.02960	1.4
134.06081	4.0
135.04552	1.6
136.07668	19.3
136.47908	1.0
137.02486	1.3
152.07158	3.9
171.11824	4.3
179.03494	1.3
190.05104	2.3
191.05617	16.3
192.06015	1.1
194.46425	1.2
198.09271	1.9
199.09946	2.1
214.12369	19.6
227.08252	2.4
228.09029	1.3
229.09825	6.6
230.11858	5.6
237.05554	1.2
241.09845	11.8
242.10638	21.2
257.12949	100.0
258.13400	1.7
265.05185	1.5
267.06671	1.2
293.04596	2.2
301.11954	85.4
302.12231	1.8
337.03894	1.1
355.12961	6.2
427.84460	1.1
434.03641	1.0
645.74060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2909
Annotation	Meliatoxin B1
Peak:m/z	Relative Intensity
54.91636	1.6
59.01380	10.7
60.81640	1.8
61.98841	3.4
71.01399	2.2
71.59320	1.5
75.86212	1.5
78.95898	3.4
83.05022	12.9
85.02967	1.7
96.95997	2.6
109.06583	1.8
138.98038	2.1
151.11285	2.5
157.01768	1.9
163.32608	1.6
169.12355	12.8
183.13860	3.0
191.05629	15.3
199.02921	7.5
207.10309	3.4
209.11830	22.7
211.13387	22.5
311.23859	2.2
338.65402	1.8
341.24930	9.2
380.80716	1.9
521.26086	2.3
549.25018	2.4
567.26416	56.8
597.27148	11.6
627.28607	9.8
657.29846	100.0
657.40979	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	657.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90800	0.2
57.03457	1.0
59.01384	1.4
60.99306	1.5
65.03976	0.3
67.01887	5.0
69.03465	1.2
71.01373	2.1
81.03472	1.0
83.05044	1.3
85.02946	5.9
87.00874	9.3
88.79193	0.2
92.10075	0.4
93.03446	31.2
99.00866	0.4
99.04515	0.3
101.02460	0.3
109.02960	1.0
111.04518	5.4
113.02467	0.3
117.03442	1.2
127.04029	1.9
129.01918	0.8
133.47357	0.3
134.03719	13.8
137.02440	0.4
143.03487	0.3
149.06064	1.0
155.03522	1.3
160.01634	0.4
171.02971	0.4
173.04523	9.3
178.02762	0.3
179.03464	0.2
191.05603	100.0
192.05942	1.3
193.05038	6.9
367.10333	31.6
368.10675	0.4
421.04425	0.2
465.08261	0.5
637.25397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31949	0.4
57.03456	0.6
59.01362	3.8
60.99308	2.2
67.01881	6.5
69.03446	1.9
71.01376	4.0
81.03480	0.5
82.15114	0.5
83.05025	0.7
85.02941	6.9
87.00854	10.0
93.03438	45.0
96.95997	3.4
99.00866	1.0
108.12997	0.4
109.02947	0.6
111.04504	8.4
113.02455	0.6
119.05026	1.1
121.02924	32.4
127.04017	0.8
129.01903	0.8
137.02394	0.5
137.45015	0.5
145.02910	0.7
155.03523	2.1
165.20219	0.5
173.04529	35.6
181.05034	8.0
191.05600	100.0
192.05981	0.6
233.06570	3.4
267.48624	0.5
293.04608	0.7
311.05640	0.6
324.66299	0.6
337.09152	3.8
355.10342	64.3
356.10764	1.8
542.16644	0.6
555.76685	0.5
656.50555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28111	0.9
57.03447	7.6
59.01377	6.6
60.44254	1.0
65.00314	17.8
67.67345	0.8
71.01385	5.9
79.26260	0.9
81.07370	1.0
83.01389	12.8
85.02946	9.5
87.00898	2.0
93.03479	4.9
95.01427	1.2
96.95982	1.4
103.52864	0.9
103.85902	0.9
103.91551	0.9
107.01382	30.6
108.02193	1.8
109.02943	69.2
111.04527	1.0
113.02477	8.7
121.02948	1.5
123.04525	12.7
125.02422	53.9
133.02919	1.2
135.04504	7.1
137.02443	8.3
145.02979	1.6
151.00357	100.0
153.01900	2.4
159.04501	18.8
161.02431	6.6
161.06067	1.5
165.01947	1.9
167.03477	18.5
169.01500	1.6
170.24669	1.1
175.02469	1.6
175.03918	1.2
177.01993	1.5
187.03993	36.3
190.62469	1.1
191.05595	17.9
193.01443	4.3
203.03334	1.2
219.06621	75.0
220.06989	1.1
225.05585	1.5
239.03494	6.3
240.04263	41.8
243.03088	1.4
245.04549	5.6
253.05138	1.1
255.06715	2.3
267.06448	1.6
281.04471	5.8
287.05804	1.2
294.28586	1.0
313.07211	9.1
323.05600	1.3
325.22522	1.1
355.08252	2.2
371.07632	6.5
449.08923	2.2
481.11411	72.6
482.11621	1.7
547.11182	1.5
657.14825	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	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26860	6.5
50.42667	5.4
59.01370	30.9
61.98837	15.5
71.01360	9.3
84.10282	7.7
116.37657	7.2
145.03026	7.4
165.12822	17.9
183.13863	100.0
191.05534	12.5
207.10266	31.7
209.11789	52.9
211.13351	29.7
251.82166	7.4
253.09340	7.9
335.02087	12.8
637.31635	9.0
655.24268	7.8
655.33716	96.6
655.43756	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	655.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31115	6.5
54.81722	6.2
59.01375	33.2
59.53130	6.0
61.98820	11.7
71.01365	11.3
82.88699	7.4
94.40353	7.5
96.64732	7.2
101.02395	8.3
116.28099	7.3
126.17252	6.8
161.91206	8.9
185.40025	8.3
191.05620	12.3
197.88574	7.4
207.10139	13.2
211.13374	36.2
495.55902	8.5
587.68542	7.7
601.37457	100.0
619.38721	51.9
655.36249	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.1
59.01379	2.5
61.98861	0.9
65.00323	1.2
71.01392	4.6
79.41351	1.1
80.38905	1.1
85.02944	2.9
87.00886	1.6
92.21143	1.1
92.53617	1.1
93.03461	6.8
108.02158	4.5
109.02937	33.3
109.03616	1.7
119.03559	1.3
121.02927	5.2
123.04507	6.2
125.02422	15.2
128.05460	1.0
133.02914	5.0
135.04509	4.8
137.02428	2.6
139.04033	2.0
148.01642	5.3
149.02461	2.2
151.00368	7.8
151.03999	5.9
152.01126	2.2
157.85545	1.1
159.00850	7.5
159.04515	1.2
160.01613	1.6
161.02437	10.3
163.00226	1.6
163.03983	2.4
165.01881	2.1
167.03467	4.7
175.00377	2.7
175.03920	1.9
176.01138	1.7
177.01903	13.2
178.99817	1.7
179.03430	1.1
179.82993	1.2
187.00397	2.1
188.01112	5.1
189.01917	8.0
191.03661	1.7
191.05605	28.8
191.07196	2.1
192.05891	1.7
202.99881	39.5
205.01385	1.5
211.03963	1.7
216.00635	21.8
217.01373	1.7
219.02792	1.5
225.05511	1.9
226.02592	1.7
227.03496	5.0
229.01459	1.5
235.02426	7.7
241.05028	1.9
243.02943	1.6
245.08064	2.0
247.02481	1.4
251.03516	5.1
252.04028	1.6
253.05121	5.0
255.02972	6.7
263.03540	1.9
265.04996	1.9
269.04565	2.0
271.02548	2.7
278.02206	1.3
279.02942	11.4
280.03854	2.3
281.04584	2.5
281.51248	1.3
282.01529	2.5
283.02509	18.2
284.03073	1.5
285.03894	1.4
289.07190	4.9
295.02438	17.5
296.03098	2.2
297.03964	11.4
301.03409	2.0
307.02502	33.6
308.03207	2.3
311.02002	2.9
311.05624	2.1
323.01984	29.1
324.02756	9.7
325.03522	14.1
327.05502	1.7
335.01999	4.5
337.03525	1.9
339.04813	2.4
352.02225	24.8
353.03040	32.4
357.06055	1.7
384.04904	62.1
385.05664	40.1
409.17764	1.2
463.06900	6.0
466.27203	1.4
474.75891	1.2
481.10300	2.3
495.09253	2.3
547.10950	100.0
548.11340	1.9
657.14594	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	655.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08982	0.4
56.51291	0.5
57.28035	0.4
59.01385	3.1
67.01888	5.3
69.03469	0.6
71.01380	3.4
76.26047	0.6
83.05017	1.2
85.02935	9.3
87.00867	8.3
89.03917	0.7
93.03441	32.6
96.95995	1.0
99.00884	0.8
99.04504	0.8
101.02486	0.5
109.02966	1.1
111.04523	6.4
116.92843	0.9
117.03442	3.4
118.45840	0.6
121.02924	0.7
123.00887	0.5
125.02461	0.6
127.04010	0.8
129.01839	0.7
132.02155	3.5
133.02963	2.7
134.03751	4.8
135.04510	27.0
137.02380	2.0
151.00388	0.9
151.03955	3.0
155.03468	1.0
160.01637	10.3
161.02415	1.1
162.03194	2.6
173.04529	12.5
177.01926	1.0
178.02675	0.9
179.03442	3.9
191.05600	100.0
205.08720	0.7
226.10068	0.5
257.08215	4.6
275.09393	4.4
285.04041	1.3
307.02530	0.8
308.08957	2.3
351.07364	3.9
352.07892	4.3
387.08978	0.6
400.61636	0.5
449.08228	1.1
449.14539	31.2
450.14972	0.7
655.16766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41665	0.5
50.98481	0.5
58.43560	0.6
59.01368	1.1
67.58182	0.7
71.01376	1.0
86.90489	0.7
89.02458	1.0
92.40781	0.7
101.02407	0.8
155.82092	0.8
181.07187	6.9
247.93668	0.6
462.51437	0.7
466.45581	0.8
471.34802	100.0
472.35233	3.9
473.35211	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20707	0.7
52.61292	0.5
57.03458	1.7
59.01388	1.1
63.02403	3.5
65.00330	3.7
66.20848	0.6
67.01898	0.8
71.01402	1.2
74.57414	0.6
75.73318	0.6
83.01376	8.0
85.02939	7.5
88.11906	0.6
89.78585	0.6
93.03465	4.2
95.01342	6.3
99.37737	0.6
107.01376	17.0
108.02174	3.1
109.02940	100.0
109.25055	0.7
111.04517	0.7
119.05009	0.7
123.00907	3.0
124.01672	5.5
125.02418	15.9
127.03977	1.3
133.02950	1.5
135.00874	8.6
135.04543	1.0
137.02446	2.8
145.02965	1.7
151.00354	57.4
152.01143	23.6
153.01921	34.2
157.42644	0.7
159.04408	1.4
161.02444	3.5
163.00352	69.0
163.04007	1.1
164.01122	3.1
169.01421	4.7
173.04686	0.8
175.04001	3.9
178.99860	37.6
181.01392	3.8
183.04475	3.2
185.02377	0.8
187.03938	3.6
190.99860	40.3
191.05595	94.8
199.03992	3.7
201.05525	0.9
203.03485	5.1
206.97380	1.0
206.99352	32.3
207.02922	1.1
208.00130	12.5
211.03976	7.0
213.01849	0.8
217.05067	4.2
227.03490	20.4
229.01405	1.4
230.02119	1.0
231.02985	6.1
243.02788	0.9
245.04553	5.8
247.06416	1.4
255.02943	18.9
258.01788	1.4
271.02518	5.5
273.04010	5.4
299.01935	14.2
317.03015	90.7
318.03333	2.5
337.09296	17.5
429.04153	1.1
475.43140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18205	0.4
59.01379	3.7
59.56663	0.4
59.96195	0.5
61.98829	0.6
62.15499	0.5
71.01374	2.6
73.02930	0.4
76.65939	0.5
89.02428	2.4
92.01701	0.6
101.02440	2.7
113.02464	0.7
181.07164	22.4
328.10880	0.5
393.31348	0.6
471.34787	100.0
472.35175	4.0
653.26416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81370	0.6
59.01381	2.5
61.98837	2.3
66.39590	0.5
68.20472	0.5
71.01382	3.0
73.02908	0.8
89.02451	2.9
101.02415	3.9
145.22289	0.5
181.07173	21.0
203.11464	0.5
356.10458	0.9
373.67624	0.6
471.34799	100.0
472.35510	4.1
653.26263	1.2
672.21472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03442	1.5
58.00604	0.4
58.05157	0.2
59.01377	30.8
69.03453	1.5
71.01382	12.8
72.99306	3.5
73.02931	0.5
76.70971	0.3
83.01380	1.3
85.02946	3.7
85.06583	1.1
87.00852	1.1
89.01881	0.5
89.02432	14.1
93.03432	1.3
95.01406	1.1
96.97012	0.3
101.02427	9.8
107.08668	3.7
109.02949	0.6
109.10242	1.1
111.04475	0.3
113.02438	5.1
119.03477	5.1
121.10207	1.6
122.09802	0.3
125.02438	0.6
127.84177	0.3
137.09738	0.4
139.11273	3.2
155.10753	1.3
164.01291	0.3
183.10240	44.7
184.10582	0.4
190.01280	0.3
191.05582	4.2
201.11324	14.3
206.08289	0.4
221.38527	0.3
264.62506	0.3
289.07166	0.7
363.16599	100.0
364.16876	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	653.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84799	3.7
59.01388	4.5
61.98817	4.5
64.96692	3.8
66.09922	3.8
73.29264	3.9
75.39568	4.0
92.10938	8.8
92.64526	3.9
104.87013	4.1
121.02913	21.7
161.45206	4.6
165.01889	8.5
191.05602	21.9
226.65927	4.7
264.66968	5.1
280.60114	4.7
325.06644	6.0
384.81390	5.0
500.68692	5.6
571.33752	5.6
617.40588	100.0
653.37952	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	653.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
69.03465	0.2
71.01392	1.0
73.02949	0.4
82.46210	0.2
83.04996	0.3
83.20887	0.2
85.02938	6.2
87.00874	1.5
92.17289	0.2
93.03434	2.7
96.96027	0.8
97.26859	0.2
109.02962	0.4
111.04521	1.1
127.03964	1.9
127.87450	0.2
129.16367	0.2
133.02956	0.8
134.84006	0.2
135.04524	2.0
137.02435	3.8
161.02449	1.5
168.45909	0.2
171.03030	0.4
173.04532	1.3
179.03481	1.3
191.05609	100.0
192.05980	1.3
200.35849	0.2
229.42831	0.2
299.07526	1.5
353.08752	9.0
394.65451	0.2
431.65976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.2
63.02394	0.5
65.00320	10.7
66.95802	0.4
71.01377	1.1
83.01388	4.0
85.02940	0.6
88.98835	0.5
92.10166	0.9
93.03492	1.0
94.10302	0.5
103.01861	0.5
107.01387	20.0
109.02958	3.2
114.37118	0.5
116.92863	0.8
121.02949	0.8
125.02452	5.2
131.01367	0.9
133.02914	0.5
134.03741	1.9
135.04512	71.8
136.04822	1.0
137.02431	0.9
143.52609	0.5
149.02481	0.6
151.00360	100.0
152.00734	0.7
159.04507	2.9
161.02440	2.3
161.17793	0.4
165.01894	1.1
166.12267	0.4
169.01405	2.1
173.06013	0.7
175.00400	5.8
177.01888	0.6
179.03470	1.0
185.06117	0.4
191.05602	4.4
193.01393	1.2
197.05945	0.6
201.05602	2.5
224.97252	0.5
225.05527	1.1
233.82480	0.5
234.12865	0.5
241.05077	0.9
243.06624	14.0
269.04520	5.9
285.04071	1.9
287.05618	63.5
288.05887	1.9
324.48007	0.5
431.20520	0.5
615.20807	0.8
617.22437	15.7
647.86243	0.7
653.36798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66466	0.4
59.01378	2.9
71.04997	1.7
74.68864	0.4
79.44093	0.4
79.53609	0.4
92.05370	0.4
93.03471	0.6
114.57082	0.5
117.03443	21.8
119.05003	40.3
121.02934	100.0
123.04498	0.6
133.02925	1.7
133.31024	0.4
135.04491	5.1
141.24858	0.4
145.02942	92.5
146.03316	1.1
161.02435	5.7
162.02817	2.5
163.04013	11.6
181.05005	2.9
191.05594	0.6
210.49684	0.5
214.76196	0.4
278.89651	0.4
319.14755	0.5
347.97971	0.5
373.87717	0.5
453.34003	0.5
469.33286	2.1
487.34418	1.0
495.31042	0.7
513.32275	12.1
569.35168	0.9
571.38257	0.8
589.38940	7.9
615.37042	2.9
633.38000	94.6
634.38580	4.0
651.38922	52.8
652.39673	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	651.39
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81509	0.4
57.10534	0.3
59.01382	0.8
61.98822	0.5
63.19730	0.3
67.50291	0.3
69.34164	0.3
71.05011	5.1
81.46632	0.4
83.05026	1.7
89.28586	0.3
93.03447	0.8
107.05061	0.4
108.62939	0.3
114.10926	0.3
116.09770	0.3
117.03443	21.1
119.05003	56.3
120.05276	0.4
121.02930	100.0
122.19398	0.3
123.04504	0.5
133.02940	0.8
135.04524	3.2
145.02937	87.0
146.03230	2.5
162.03183	0.7
163.03972	3.3
191.05650	0.4
251.96622	0.3
305.99936	0.3
409.31161	0.7
425.21396	0.4
425.34436	0.4
453.30121	0.6
469.33124	5.0
487.34473	3.0
495.31198	0.7
513.32184	20.6
529.35327	3.5
569.34344	0.4
589.39008	4.2
633.37952	28.3
634.37872	1.3
651.38965	43.8
652.39520	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	651.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
71.05009	3.8
80.44697	0.5
83.05006	1.7
88.13937	0.4
117.03444	24.7
119.05009	64.5
121.02937	92.4
122.03296	0.5
145.02945	100.0
162.03217	0.6
163.04008	2.8
167.50514	0.4
171.59747	0.4
221.57883	0.4
272.50317	0.4
409.31021	0.8
453.30063	0.8
469.33261	3.7
487.34323	2.0
495.30713	0.6
513.32178	19.4
529.35339	1.9
572.82501	0.5
589.39014	4.1
633.37988	34.0
651.38995	52.3
652.39490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03897	0.5
59.01374	3.6
61.98840	0.7
62.45558	0.5
65.21482	0.6
71.05028	0.9
78.56993	0.6
85.61589	0.6
89.84937	0.6
92.10818	0.7
93.03447	0.7
100.39137	0.6
117.03438	21.3
118.03832	0.8
119.05003	33.5
119.91799	0.6
121.02937	100.0
122.03270	0.6
130.67719	0.7
135.04477	4.4
145.02942	86.6
146.03305	0.9
157.99335	0.7
163.04010	10.2
181.04987	3.1
324.61285	0.7
469.33334	2.4
487.34320	5.6
513.32141	7.8
529.35431	1.1
569.34668	5.3
589.38831	6.2
615.36267	2.4
633.37939	78.9
634.38654	3.0
651.38983	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
72.45159	0.1
85.02948	0.2
87.00872	0.2
92.10822	0.3
93.03442	0.7
109.02995	0.2
113.02469	0.2
113.64082	0.2
117.03474	0.2
119.05005	100.0
120.05348	0.9
133.02914	0.3
134.03674	0.3
163.03996	73.5
164.04317	0.8
181.04855	0.2
191.05614	1.5
284.37833	0.2
287.12030	0.2
325.05435	0.3
325.09293	8.8
398.27637	0.2
435.76437	0.2
536.04260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98346	0.6
57.03465	0.7
59.01375	6.9
60.99318	2.3
67.01875	6.0
69.03467	0.6
71.01376	4.7
81.03438	0.6
83.05012	0.8
85.02936	6.1
87.00851	9.2
89.02441	0.7
93.03439	42.0
96.95997	1.4
99.00859	0.8
101.02444	0.9
109.02913	1.0
111.00856	0.9
111.04503	8.2
113.02428	0.7
119.04990	1.1
121.02937	39.7
125.06075	0.7
127.03991	2.8
129.01906	0.7
135.04506	1.0
143.03598	0.7
149.06116	0.6
155.03510	1.3
173.04524	36.0
177.45230	0.6
181.05055	10.9
181.07155	10.7
191.05602	100.0
192.05965	1.2
233.06598	2.3
240.95149	0.6
295.10413	0.9
313.91129	0.6
327.38654	0.6
337.09210	2.9
341.09061	0.7
355.10361	61.9
356.10529	1.1
357.10944	0.7
371.09732	2.7
394.07397	0.7
439.14816	0.6
483.12708	0.8
527.37085	0.6
555.00684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70341	0.3
57.22715	0.4
57.27805	0.4
59.01384	2.3
61.57892	0.3
61.98830	0.5
63.69341	0.3
66.60106	0.3
83.17377	0.3
85.29902	0.4
105.03482	0.5
117.03429	2.7
119.05005	2.4
132.02115	0.8
133.02942	32.9
134.03731	4.9
135.04500	17.2
135.25395	0.3
137.02434	3.2
139.04024	0.7
145.02953	6.2
161.02423	100.0
163.03946	1.6
178.02702	2.1
179.03490	2.1
190.98425	0.4
191.05638	1.9
207.67996	0.4
211.13290	0.8
229.73885	0.5
233.42706	0.4
274.96033	0.4
308.53760	0.5
326.10651	0.4
348.10925	0.3
351.07300	0.5
451.28577	0.6
487.33893	0.5
542.99902	0.4
605.37823	0.5
649.37488	74.7
650.38177	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	649.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
59.43171	1.2
64.33685	1.4
68.31241	1.4
84.26044	1.3
117.03436	25.1
119.05003	29.3
121.02939	3.1
133.02908	2.2
133.45076	1.4
134.11691	1.5
145.02937	100.0
146.03242	1.6
161.02400	5.8
163.03993	6.1
191.05690	2.3
205.83377	1.8
228.30908	1.9
251.53773	1.5
374.40308	1.7
503.34042	2.0
509.33447	1.7
529.31934	3.4
587.37109	9.0
649.37427	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3959
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
53.09800	0.9
58.23862	0.9
59.01381	17.1
60.99298	1.1
61.98843	1.3
62.47794	0.9
67.25578	0.9
71.01366	16.0
71.05003	6.4
73.02941	6.4
77.73330	0.9
83.01370	1.7
85.02937	10.0
89.02473	1.3
90.54898	1.1
91.10790	0.8
93.03426	1.3
93.73807	0.9
96.95982	1.3
101.02428	12.6
113.02432	5.6
116.92858	1.7
119.04975	1.5
122.76681	1.2
132.59778	1.2
135.04515	1.6
161.04497	1.4
173.66432	1.1
177.01923	1.5
179.03554	1.8
191.05612	6.3
209.11818	1.5
272.51465	1.2
285.03900	1.4
311.12738	1.1
449.32498	2.1
526.41772	1.3
544.66742	1.3
631.38654	1.4
649.39587	100.0
650.39545	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	649.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14900	0.3
54.96701	0.2
59.01371	0.4
60.52227	0.2
60.52581	0.2
60.89735	0.2
61.98834	1.1
62.20359	0.2
90.32238	0.3
91.08755	0.3
92.10857	0.5
102.65532	0.3
117.03440	24.2
119.05007	7.9
121.02926	1.1
137.28094	0.3
137.57983	0.3
138.45514	0.3
145.02939	100.0
146.03256	0.6
163.03989	4.3
165.02931	0.3
191.05722	0.2
416.11279	0.3
428.53027	0.3
485.32727	0.6
487.34332	2.9
587.37408	1.7
605.38385	0.6
631.36273	0.4
649.37543	44.3
650.37836	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	649.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78038	0.2
52.29770	0.2
59.01385	0.4
61.98829	0.2
65.03003	0.2
71.42632	0.2
80.20425	0.2
84.91085	0.2
117.03452	24.4
119.04999	5.0
121.02958	0.5
124.76922	0.3
131.12401	0.3
133.02905	0.5
133.33945	0.3
137.90694	0.3
145.02946	100.0
146.03302	0.6
161.02420	0.5
163.04001	3.4
191.05611	0.4
261.49167	0.3
364.14255	0.3
364.18936	0.3
485.32520	1.1
503.33939	0.4
649.37512	39.9
650.37659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2671
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
52.62883	2.1
53.50767	1.8
54.70321	2.0
57.38943	2.1
68.63435	2.2
71.08445	1.9
71.68163	2.2
72.55804	1.8
81.74529	2.2
107.04942	2.0
152.99594	2.9
199.86659	2.6
225.16202	2.6
231.13976	2.6
250.23366	2.2
283.37799	2.7
458.17068	7.2
472.19000	3.1
473.19708	10.3
517.18781	26.9
531.20306	5.6
575.22827	17.0
649.26660	100.0
650.26874	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
68.34302	0.4
71.01382	0.8
78.16843	0.4
89.02442	0.5
92.64807	0.5
93.03442	1.0
97.68755	0.4
117.03476	4.9
117.04165	0.5
119.05010	2.4
123.04497	0.6
132.02139	0.7
133.02930	31.1
134.03746	3.4
135.04504	11.8
137.02417	2.6
145.02930	12.1
161.02419	100.0
162.02866	0.6
163.04037	1.0
178.02696	0.7
179.03485	3.6
191.05565	2.0
277.21747	0.6
297.10791	0.5
485.32956	3.3
494.51855	0.6
567.33398	3.8
587.37317	1.9
605.38354	2.4
649.37494	85.5
650.37720	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	649.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90797	0.7
54.81567	0.8
59.01386	1.3
61.98824	3.5
68.82120	0.8
71.05009	1.9
72.37936	0.8
80.57625	0.8
83.05023	1.1
99.12414	1.1
107.05053	1.1
107.15957	0.8
112.74280	0.9
116.92886	1.0
117.03449	22.0
118.03778	1.0
119.05003	13.4
121.02978	1.3
133.02959	0.9
135.04523	16.2
145.02942	100.0
146.03297	4.3
160.84233	1.1
163.03981	5.7
191.05624	1.1
260.56720	1.0
423.32544	1.3
441.57736	1.0
445.58237	0.8
485.32968	1.0
487.34277	7.5
587.37585	6.8
596.75769	0.9
605.38586	2.1
619.36206	1.1
631.36078	9.8
649.37585	42.3
650.38531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
63.87508	0.5
67.01904	1.2
71.01365	1.0
83.46065	0.5
85.02946	9.2
87.00876	2.9
92.10164	1.4
93.03439	11.8
95.05083	0.7
105.03448	2.6
107.05080	0.8
109.02947	1.4
111.04509	2.4
127.04008	1.2
130.02312	0.6
133.02931	17.6
135.04501	7.9
139.62192	0.6
146.29068	0.6
161.02428	2.7
162.90030	0.7
163.86832	0.7
173.04552	5.5
177.01892	3.7
179.03485	2.8
191.05595	100.0
192.06078	0.7
215.05650	5.6
307.04565	0.9
311.67169	0.7
351.07275	10.8
353.08765	9.2
530.09229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80201	0.6
57.03437	0.7
59.01368	5.6
59.85538	0.6
60.99315	1.6
61.68805	0.5
67.01884	6.3
69.03466	0.7
71.01388	4.0
75.69615	0.6
83.05022	0.8
85.02943	6.4
87.00861	9.2
92.63526	0.6
93.03440	45.5
96.95985	7.5
98.95567	0.8
99.04536	1.1
111.04510	7.7
119.05022	1.2
121.02931	30.4
137.02350	1.0
155.03493	1.3
173.04538	34.8
178.39705	0.7
181.05066	8.9
181.06520	0.9
191.05611	100.0
192.05916	0.9
231.16641	0.7
233.06595	1.0
337.09332	3.5
348.40298	0.7
355.10352	63.0
387.56619	0.7
641.29980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66935	0.5
55.01887	3.8
57.03453	4.6
58.84470	0.6
59.01374	100.0
61.98846	1.0
63.80094	0.7
69.03452	1.6
71.01371	44.7
72.99303	1.2
73.02931	18.1
75.00873	0.8
81.03461	1.0
83.01377	12.2
85.02940	26.2
85.03417	1.2
85.04925	0.8
87.00893	3.8
89.02437	6.8
89.41013	0.6
93.03448	1.2
95.01362	5.1
97.02948	4.3
99.00860	7.2
101.02422	31.5
109.02962	0.9
111.00867	1.3
113.02435	24.2
116.92850	6.2
119.03490	1.3
125.02424	5.7
128.29848	0.7
128.90132	0.9
129.01884	0.8
135.04463	0.9
135.91618	0.7
143.03462	3.4
159.02946	1.6
161.04541	9.1
191.05634	3.4
224.73695	0.8
315.18173	5.8
357.19174	3.3
459.22412	15.6
472.51947	0.8
477.23343	14.8
501.23502	6.9
516.69501	0.9
519.24469	56.5
561.25641	12.2
649.28510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84816	0.1
57.03447	0.6
59.01375	1.2
60.99297	1.1
64.51188	0.1
66.07950	0.1
67.01881	4.2
67.89899	0.1
69.03442	1.2
69.63956	0.1
71.01367	1.9
73.02937	0.2
78.95872	0.2
81.03440	1.0
83.05019	0.8
83.09241	0.1
85.02938	5.6
87.00862	7.2
93.03439	25.7
96.96949	0.5
97.02951	0.2
99.00878	0.7
99.04498	0.7
101.02438	0.2
103.51050	0.1
109.02938	2.2
111.00858	0.6
111.04500	4.3
113.02412	0.6
115.04010	0.1
117.03453	0.2
119.05003	10.3
121.02904	0.2
121.80061	0.1
127.04001	1.6
129.01927	0.8
133.02888	0.2
135.04507	1.2
137.02402	0.6
143.03526	0.2
145.02948	1.7
151.04037	0.1
155.03564	0.9
155.04622	0.1
163.03996	8.8
171.03065	0.5
173.04524	14.8
174.49104	0.1
175.03941	0.2
177.05562	1.6
179.03432	0.2
191.05602	100.0
192.05995	0.9
193.02226	0.1
200.06978	0.2
221.04579	2.7
231.35179	0.1
241.14723	0.1
251.06935	0.2
290.05716	0.2
311.07718	2.4
323.05450	0.2
337.09290	26.6
338.09744	0.2
351.07275	0.2
526.69269	0.1
649.18292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98813	1.6
83.05012	1.7
83.92606	1.1
97.50855	1.3
117.03410	2.7
121.85167	1.4
133.02943	32.6
134.03741	2.6
135.04541	17.2
137.02414	1.6
145.02969	9.4
154.81750	1.4
155.05135	1.2
161.02425	100.0
179.03487	1.7
420.13712	1.3
603.37292	1.9
647.35852	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.8
61.98816	2.4
67.01895	1.3
69.03432	1.6
71.01394	2.7
85.02954	5.8
87.00886	2.4
89.02443	1.7
93.03452	9.7
95.05009	1.9
96.95980	9.8
101.02412	2.3
109.02946	66.2
113.02425	19.4
121.02936	7.6
123.04518	39.9
125.02441	2.5
133.02954	6.6
134.03749	1.8
134.93811	1.3
135.04489	11.6
137.02409	6.2
147.04468	2.3
149.02437	2.1
150.03227	1.4
151.00356	2.5
151.04012	31.1
153.01970	2.7
159.04582	1.9
161.02391	8.9
163.00327	1.4
165.01956	1.6
173.04602	3.2
177.01906	23.5
182.05855	1.8
187.03957	2.5
189.01921	34.2
190.02756	3.6
191.03548	7.4
191.05614	23.8
192.05946	3.1
201.01872	1.8
202.02768	2.6
203.03470	8.8
214.02718	5.6
215.03516	29.7
216.00641	2.2
217.01428	30.5
217.04999	2.3
219.02919	9.6
229.01424	9.3
229.04956	2.7
231.03017	11.2
234.01689	6.0
239.03542	6.6
240.04289	2.4
241.05148	1.6
242.02203	21.0
243.02939	15.0
245.04517	1.8
246.01718	2.2
255.02943	3.5
257.04501	2.9
269.00967	20.5
269.08240	20.0
271.09570	2.3
274.01205	22.6
274.48138	1.4
281.04465	2.3
281.07974	1.9
283.09549	1.6
284.03204	9.4
299.09244	12.4
309.03918	15.0
314.11615	28.3
323.05588	11.9
324.06375	2.2
329.13931	63.2
337.03799	1.6
339.04996	3.4
341.06665	80.6
349.07040	3.3
351.05179	7.0
367.08212	6.0
379.04568	8.7
393.06161	70.5
394.06824	1.8
461.08725	11.1
467.22598	2.5
503.09821	98.0
613.13562	100.0
614.13855	2.5
623.62201	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	647.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03451	0.2
58.84309	0.1
59.01378	2.3
61.98814	0.2
71.01351	1.4
73.02941	0.2
83.05020	1.6
85.02944	0.3
89.02442	1.1
97.98305	0.2
101.02436	0.9
113.02427	0.3
117.03448	27.5
119.03590	0.2
119.05009	6.6
121.02942	0.7
123.80486	0.2
125.02426	0.2
133.02974	0.2
145.02940	100.0
146.03311	0.3
163.03989	6.2
182.35619	0.2
195.69759	0.2
201.89244	0.2
205.91922	0.2
235.08144	0.2
249.18562	2.4
347.97903	0.2
397.13486	2.0
415.14481	0.9
483.31253	0.4
585.35876	0.9
603.36737	1.0
629.34607	0.3
632.78845	0.2
647.35889	38.3
648.36176	1.4
672.47095	0.2
677.04633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19766	1.1
55.67074	1.0
57.31699	1.1
68.03918	1.2
70.87924	1.1
78.39785	1.2
80.82938	1.3
95.64983	1.3
117.03442	27.2
119.05027	17.0
121.02946	1.5
123.26949	1.5
133.02927	5.2
139.26184	1.6
145.02942	100.0
160.84166	2.7
161.02411	16.5
190.86780	1.5
191.00908	1.4
191.05550	2.4
199.29536	1.3
358.67844	1.4
485.32886	2.7
487.52896	1.4
535.69244	1.3
585.35577	6.4
603.36536	3.0
647.35907	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
67.01883	0.3
70.78259	0.1
71.01378	0.8
71.26458	0.1
73.02973	0.2
83.05054	0.3
85.02937	6.2
85.06648	0.2
87.00864	1.7
87.16734	0.2
93.03445	2.8
109.02934	0.7
111.04517	1.0
127.04014	2.0
131.07106	0.8
133.02940	0.7
135.04544	1.0
148.06361	0.2
161.02393	1.8
171.02980	0.4
173.04532	0.8
179.03465	0.7
190.41292	0.2
191.05603	100.0
192.05959	0.9
244.73676	0.2
276.07471	0.2
293.12436	1.1
353.08798	11.3
354.09369	0.2
402.65466	0.1
544.28455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3589
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
53.03447	0.6
61.98822	0.7
83.05022	5.4
111.35864	0.6
117.03450	3.4
132.02228	0.8
133.02939	31.7
134.03709	3.5
134.90717	0.6
135.04504	10.0
137.02409	3.0
139.03998	1.1
145.02950	10.1
161.02426	100.0
162.02983	0.6
178.02689	0.9
179.03548	4.5
191.05649	1.0
312.85135	0.7
369.00751	0.6
376.44128	0.7
485.32465	2.5
494.03339	0.7
519.31006	4.3
585.35547	0.8
603.37115	8.7
647.35907	69.4
648.36060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3583
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
58.40635	2.2
59.13187	2.3
78.95914	2.6
83.01345	2.8
85.39627	2.6
95.18389	2.8
96.05074	2.7
98.86826	2.8
117.03452	24.2
119.05018	17.7
133.02950	15.4
135.04541	5.0
145.02950	100.0
161.02414	48.2
167.03734	3.2
234.67119	2.6
585.35651	8.3
603.36877	14.6
647.36005	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.6
61.88938	1.1
61.98827	1.2
63.31334	1.1
74.34268	1.0
80.68241	1.1
88.36449	1.0
94.64771	1.0
117.03453	29.8
119.05018	17.8
121.02930	1.1
145.02945	100.0
151.11070	1.2
163.04039	1.8
171.43877	1.0
191.05603	2.2
253.53975	1.1
309.04755	1.2
320.63989	1.5
423.99295	1.2
575.33813	10.0
585.35638	5.6
603.36951	1.7
617.34216	10.2
647.35895	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	647.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99640	0.4
56.43514	0.4
59.92559	0.4
60.96393	0.4
61.98835	0.5
62.45453	0.4
76.45847	0.4
83.05022	0.8
88.83723	0.5
105.03525	0.5
117.03435	6.4
119.05011	4.3
121.02934	0.8
132.02167	0.7
133.01932	1.2
133.02936	32.3
134.03757	3.8
135.04507	16.7
137.02391	4.0
139.03975	1.0
145.02943	23.5
161.02431	100.0
162.02747	0.8
163.03946	2.4
169.79651	0.6
178.02649	1.2
179.03523	1.2
185.17157	0.5
191.05493	1.8
342.24979	0.5
473.36447	0.7
549.56122	0.5
575.33899	2.1
585.35687	2.4
587.32715	0.7
603.36896	6.4
617.34760	0.8
647.35895	73.2
648.36084	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	647.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01395	2.0
67.01579	0.4
67.01906	2.2
69.03465	0.5
71.01385	0.6
73.88525	0.4
81.03457	0.7
85.02943	9.1
87.00873	4.5
93.03445	14.0
96.96021	4.2
109.02979	2.1
111.04505	3.6
119.04950	0.4
121.02943	1.6
124.29230	0.4
127.04021	2.2
129.01889	0.4
133.02951	1.4
135.04517	12.1
137.02441	13.2
146.03767	0.4
149.02444	2.9
155.03519	0.5
159.04526	0.7
161.02417	4.8
171.03030	1.5
172.05325	1.7
173.04538	5.3
173.06070	4.1
174.06892	0.9
175.07593	0.4
179.03450	3.3
187.04037	0.5
187.07629	14.0
191.05608	100.0
192.05908	0.6
201.05603	0.8
202.06396	4.1
203.10768	0.5
213.09225	1.9
219.02922	0.4
222.08975	0.4
228.04259	0.5
231.10307	4.5
233.06602	0.8
236.82257	0.4
257.08228	2.1
300.02658	0.7
371.09695	0.7
395.11282	0.6
436.64362	0.4
455.13098	0.4
598.94989	0.4
611.17871	0.5
629.18671	13.3
629.41290	0.5
630.20020	0.5
647.19818	29.0
648.20142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35517	0.3
53.63696	0.2
57.03450	0.3
59.01385	12.8
60.81124	0.2
65.28691	0.3
67.67574	0.3
70.80416	0.3
71.01377	6.3
72.99311	0.4
79.95741	2.2
79.96160	0.3
85.02946	2.2
86.95914	0.4
87.00851	0.4
89.02439	6.3
93.03454	1.3
96.95995	100.0
98.95579	0.5
99.04520	3.2
99.33635	0.3
101.02406	4.2
108.79377	0.3
109.02959	0.6
111.04526	0.5
113.02443	2.4
116.92830	0.4
117.51993	0.3
119.03468	1.6
119.39195	0.3
119.65364	0.4
121.06482	0.3
122.08430	0.3
135.04526	2.2
137.35725	0.3
143.19336	0.3
152.20032	0.3
155.42584	0.3
161.02455	0.4
173.04439	0.4
177.01871	0.3
178.66188	0.3
189.12880	0.6
191.05632	6.5
191.95203	0.3
207.13919	7.6
251.12883	8.9
273.64392	0.4
311.05560	0.4
312.06509	0.5
338.91315	0.3
369.06070	0.6
399.07431	0.6
431.19281	4.0
469.16129	0.4
497.11084	0.4
549.12598	3.9
611.25574	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	645.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73047	0.4
59.01377	100.0
63.68096	0.4
69.86610	0.4
70.27645	0.4
130.81961	0.4
160.74858	0.5
160.84196	0.6
191.05589	0.7
304.33661	0.5
474.37970	0.5
524.99286	0.5
585.37744	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	647.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72012	0.1
58.00951	0.1
79.95721	1.7
93.03439	0.2
96.95988	100.0
107.46449	0.1
108.02177	0.1
121.02847	0.1
137.02361	0.1
140.09378	0.1
151.00337	0.6
153.75499	0.1
163.00397	0.2
171.94586	0.2
187.07733	0.3
191.05595	2.1
191.07222	0.2
227.03506	0.2
243.02934	0.7
244.41843	0.1
255.02959	2.1
266.48889	0.1
271.02481	3.7
300.02713	6.6
301.03552	1.7
313.64597	0.2
439.36075	0.1
505.09885	5.6
589.80573	0.2
629.19269	0.2
647.20190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.33
Annotation	CHEBI:84380
Peak:m/z	Relative Intensity
54.82037	1.5
59.01381	2.3
59.49393	1.5
63.50778	1.9
63.93722	1.9
78.95881	3.6
79.06860	2.0
117.03419	8.3
132.63594	1.5
142.99860	3.1
145.02954	23.0
152.46437	1.6
191.05591	6.6
220.82181	2.1
245.39825	1.8
263.81125	1.9
319.96164	2.0
487.34409	31.2
645.33282	100.0
646.32971	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	645.3312
Annotation	CHEBI:84380
Peak:m/z	Relative Intensity
53.21287	1.3
59.01375	2.2
69.03451	1.1
78.95883	2.4
81.44666	1.2
85.02911	1.3
116.92845	1.5
138.97980	1.8
174.99144	2.1
191.05606	5.9
197.81979	1.3
200.59367	1.3
271.01849	1.3
423.32755	3.0
467.31943	1.5
585.31238	5.4
645.33167	100.0
646.33606	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	645.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81691	0.1
54.93896	0.1
57.03436	0.2
57.91705	0.1
59.01365	1.1
67.01897	0.3
71.01375	0.8
85.02937	4.5
85.03408	0.2
87.00856	1.7
88.98817	0.6
89.02423	0.3
93.03435	3.5
101.02441	0.2
109.02956	0.3
111.04531	1.2
119.05015	0.8
127.04022	1.6
145.02969	0.9
145.08737	0.2
163.03952	1.1
171.02937	0.3
173.04469	1.7
180.30814	0.1
191.05600	100.0
192.05951	0.8
307.13947	0.3
337.09296	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	645.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37210	0.4
59.01373	29.1
63.46604	0.4
71.01368	5.5
71.94014	0.5
75.85417	0.5
80.02669	1.2
81.03467	3.2
83.01377	1.2
83.05013	31.6
83.05499	1.2
84.02169	2.8
85.02947	3.4
85.25322	0.5
87.00893	0.8
89.02439	5.3
93.03455	1.3
95.01358	0.9
95.05038	1.1
96.96000	3.3
97.06580	1.1
101.02422	5.2
107.05022	0.9
109.02922	0.7
109.06579	6.5
111.04482	0.7
113.02457	3.0
114.36378	0.6
119.03474	1.1
125.06021	0.5
127.04032	0.6
132.00327	0.6
135.04497	1.1
135.08134	12.2
136.14873	0.5
137.02420	2.1
137.09715	3.6
151.07506	1.0
157.24736	0.7
161.02426	1.1
161.04550	0.8
163.07608	3.3
163.11252	4.2
165.01900	6.5
165.12766	2.1
171.10196	1.2
179.03462	5.1
180.04306	4.1
181.08682	100.0
191.05577	8.6
191.07167	1.0
191.10699	0.6
194.05803	3.1
195.06624	3.8
199.09766	7.3
209.08444	2.4
209.11812	79.4
210.05315	0.7
210.12125	0.9
216.00754	0.9
225.07655	1.2
227.12885	8.4
235.08159	2.7
253.09312	11.2
273.12589	1.1
379.02939	0.6
379.35822	0.6
597.23682	1.3
600.39423	0.6
609.27289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	1.7
75.04527	1.6
78.11258	1.6
81.23022	1.3
145.02953	1.9
166.13071	1.5
191.05559	6.0
210.32578	1.6
242.58968	1.6
371.44772	1.5
487.34644	1.6
553.01001	1.4
616.57678	1.7
645.33228	100.0
646.33258	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	645.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16467	1.5
56.30607	1.5
57.68847	1.5
59.01389	1.4
64.92571	1.5
66.21368	1.8
71.05006	1.7
78.95869	2.4
125.09212	1.7
152.75266	1.8
191.05589	3.4
352.07825	2.4
424.15533	2.5
469.33469	4.3
487.34683	3.2
585.31024	17.4
645.33282	100.0
645.44263	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	645.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26613	0.7
59.01375	6.1
60.62159	0.8
68.34721	0.8
71.01366	2.0
83.01373	1.2
83.05028	1.2
85.02944	3.4
89.02422	1.2
93.03447	5.1
96.95992	4.9
101.02450	1.7
108.02178	3.5
109.02940	53.9
111.79348	0.9
121.02989	1.3
123.04505	22.8
125.02405	3.6
133.02917	5.8
135.04495	7.8
137.02405	3.5
147.04456	1.3
147.65288	0.9
149.02428	1.7
151.03993	21.7
161.02429	7.4
163.04008	1.8
165.01874	5.0
169.02881	1.5
173.04527	1.5
175.04073	0.9
176.01089	1.0
177.01877	15.1
179.03502	1.8
180.04288	3.4
181.08589	1.2
187.03960	4.8
189.01901	22.8
190.02715	6.6
191.03674	2.7
191.05594	20.2
192.05965	1.0
197.02402	3.5
198.03172	3.7
201.01892	2.0
203.03416	4.1
203.07224	1.0
205.04967	1.0
209.11797	1.0
213.01964	1.3
214.02635	8.3
215.03511	16.0
216.00630	4.2
217.01389	15.2
218.02214	1.2
219.03018	6.7
221.66888	0.9
225.01994	1.1
229.01398	13.2
229.08711	1.0
231.02916	4.6
239.03400	5.7
241.01378	1.7
242.02187	34.5
243.02966	12.8
246.01682	6.4
253.05125	1.1
255.02974	7.0
257.04550	1.9
265.05069	1.4
269.00912	18.4
271.02380	1.2
273.03986	5.0
274.01190	44.1
274.04263	1.4
279.06622	1.1
281.04456	7.0
284.03256	8.4
285.03888	1.4
289.07040	2.1
297.07587	3.7
301.11771	1.1
309.04037	3.9
323.05539	1.4
341.06656	58.0
351.05048	1.4
367.08243	1.1
383.07825	9.1
393.06152	100.0
425.09055	1.1
445.20630	1.0
451.10220	13.7
461.08398	1.4
493.11417	7.1
503.09845	59.8
535.12842	1.3
548.10852	1.0
613.13623	19.5
613.23236	1.2
645.16138	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	645.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35413	0.5
56.12643	0.7
57.03456	0.7
59.01375	6.8
67.01319	0.6
71.01382	1.6
73.02950	0.9
81.03438	0.8
85.02951	1.6
87.00889	1.3
92.10833	1.5
93.03444	3.9
95.05009	1.5
96.96001	4.4
101.02479	0.8
103.54340	0.7
108.02161	3.2
109.02944	59.3
121.02895	1.6
122.03711	0.8
123.04516	25.4
125.02383	1.4
133.02950	4.8
135.04486	7.7
137.02423	3.9
139.04063	0.8
145.02939	1.1
146.03700	0.8
147.04504	1.4
149.02425	1.0
150.03185	2.8
151.00372	0.9
151.04004	25.1
153.01872	1.1
159.04488	1.6
161.02432	10.5
162.03137	0.7
163.00392	0.7
165.01930	1.6
169.02933	2.9
171.04440	1.4
173.02441	1.1
173.89476	0.7
175.03999	0.9
177.00505	1.2
177.01917	19.6
179.03473	1.0
185.11745	1.3
187.03983	3.2
188.04742	0.7
189.01915	27.9
190.02733	6.6
191.03479	5.1
191.05580	16.8
197.02390	2.8
198.03212	1.2
199.09752	0.9
201.01923	2.7
203.03491	4.8
211.03880	1.2
213.01874	1.7
214.02715	9.3
215.03499	19.4
216.00636	6.5
217.01410	18.6
218.02203	1.4
219.02919	7.5
225.01840	1.1
227.07039	0.7
229.01401	16.0
231.02989	8.8
239.03468	6.7
240.04347	1.2
241.01376	1.5
242.02173	36.0
243.02940	17.6
245.04651	0.8
245.08110	0.8
246.01736	6.9
254.05792	0.8
255.02946	6.2
257.04483	3.2
261.03931	1.1
265.05090	2.7
269.00891	22.9
271.02475	1.6
273.04034	9.3
274.01181	42.0
279.06714	1.1
281.04523	5.6
282.04724	0.7
283.10977	0.8
284.03180	10.1
285.04016	3.6
289.07245	3.1
293.04504	0.7
297.07635	4.0
300.02731	0.8
301.03381	1.1
307.06107	1.6
309.04041	4.9
323.05789	1.4
333.03995	3.0
337.03534	3.5
341.06647	74.8
342.06879	0.9
349.07208	1.0
351.05081	1.3
379.04828	1.6
383.07681	7.9
393.06180	100.0
394.06540	2.9
416.38324	0.8
425.08743	3.7
447.07236	4.0
451.10361	25.3
493.11215	4.5
503.09824	52.0
504.10278	2.6
504.60760	0.7
535.12408	1.7
548.12146	1.1
613.13611	14.5
645.16351	13.5
645.25830	1.4
660.45966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71073	1.1
59.01375	4.6
61.65491	0.9
65.23294	0.8
71.01363	1.4
83.01382	1.1
85.02945	3.8
86.42202	1.0
87.00880	1.2
92.10146	2.2
93.03443	6.7
93.15440	1.2
95.05015	2.0
96.95993	10.3
99.13103	0.9
108.02146	3.9
109.02946	64.1
119.05082	1.1
121.02889	1.2
123.04518	27.5
124.01617	1.0
125.02457	2.3
133.02939	5.8
135.04503	8.4
137.02406	2.3
139.11227	1.4
144.81384	1.0
145.02921	1.2
147.04527	1.8
149.02425	1.7
151.00359	1.3
151.04016	20.0
153.01837	1.3
161.02431	9.3
163.03949	1.0
167.03389	1.1
169.02910	1.3
177.01910	16.5
187.03979	5.0
187.07660	1.4
188.04724	1.2
189.01898	21.2
189.05556	1.4
190.02736	5.3
191.03714	1.5
191.05606	24.2
192.05930	1.4
198.03204	2.0
199.03677	1.1
201.01942	4.0
203.03473	2.0
211.04015	1.7
213.01888	1.1
214.02682	10.3
215.03488	24.0
216.00589	4.0
217.01404	10.4
218.02167	1.4
218.05785	1.0
219.03030	8.0
225.01907	1.2
227.07152	1.8
229.01405	14.4
231.02950	4.3
239.03474	6.0
242.02216	37.4
243.02914	13.5
246.01663	7.0
246.05334	3.7
255.02885	6.2
257.04535	1.5
269.00885	20.2
271.02484	1.2
273.03979	6.0
273.07251	1.0
274.01221	49.1
281.04645	6.9
282.05252	1.3
284.03293	8.7
285.03922	6.0
287.30927	1.0
289.07477	1.2
297.07736	3.8
307.06006	1.3
309.03931	4.5
341.06656	55.6
349.07111	1.0
351.05246	3.7
383.07867	13.1
393.06177	100.0
394.06525	1.5
451.10410	9.9
493.11212	11.6
503.09854	63.1
535.12433	1.8
574.03339	1.3
613.13434	8.2
645.15405	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	645.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57100	0.4
54.37648	0.4
56.65260	0.4
58.16792	0.4
59.01372	1.1
65.00307	0.6
69.94303	0.5
78.96953	0.5
83.01389	0.6
85.02968	0.7
93.03489	1.0
96.96032	1.1
107.01379	3.9
108.02205	2.3
121.02937	2.3
125.02483	0.5
130.09827	0.6
130.12668	0.5
135.00870	0.8
147.04518	3.2
148.01596	1.0
151.00359	13.1
163.00371	4.0
165.05493	1.1
169.01393	0.6
178.99876	4.7
187.04028	0.9
191.05580	7.1
207.06647	0.7
226.02733	0.7
227.03482	3.8
243.02986	11.2
245.04587	1.2
254.02158	2.2
255.02972	27.7
256.03543	0.6
271.02475	57.8
272.03076	3.3
273.04028	0.9
283.02383	0.9
295.21890	0.6
299.01822	2.1
300.02762	100.0
301.03519	30.5
329.13718	0.5
364.79739	0.7
413.00882	0.6
609.14624	72.6
610.15094	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	643.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80498	1.6
59.01381	16.3
61.98852	1.8
63.63355	1.5
71.01371	2.6
77.17080	1.8
82.68314	1.5
89.02451	2.1
96.97023	1.7
110.26434	1.8
135.04491	4.0
141.23761	1.7
148.01750	2.0
165.12794	8.3
169.12340	7.5
177.01949	2.7
183.13902	87.4
189.01884	11.5
191.05650	4.1
197.11836	81.3
217.01469	10.7
227.13031	2.1
253.09163	2.6
267.34848	1.8
347.04379	2.0
352.05984	2.6
379.30206	2.2
409.30975	3.0
553.78528	2.2
607.54248	2.2
613.32184	3.8
643.33429	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	643.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98088	0.3
51.51539	0.4
57.03479	0.5
57.03759	0.4
59.01385	7.2
61.98826	1.1
65.04317	0.5
65.54861	0.4
68.06786	0.4
69.03473	0.7
70.93307	0.4
71.01379	3.8
73.02983	0.4
80.02703	1.0
81.03472	0.7
83.01352	0.7
83.05019	6.3
83.57141	0.4
84.02174	1.7
85.02965	1.8
87.00891	0.7
89.02430	2.9
91.10928	0.5
95.04998	0.8
96.02746	0.5
101.02431	3.2
108.02142	0.6
113.02501	2.1
116.92831	0.9
119.03508	0.6
119.74895	0.5
123.04395	0.5
129.19859	0.5
133.02939	0.6
135.04501	1.1
135.08182	0.8
153.12892	0.6
161.04556	0.7
163.11240	5.0
165.12839	2.4
169.12349	5.1
177.01883	0.7
181.12297	0.8
183.10217	1.0
185.11710	0.7
189.01994	5.9
191.05615	6.7
191.10817	0.9
192.06047	0.6
197.11824	56.5
209.11829	100.0
210.12213	0.8
217.01436	6.4
227.12935	9.9
235.08095	0.8
253.09258	6.3
283.13336	0.6
285.45071	0.5
297.04242	0.5
300.41739	0.5
366.76080	0.5
401.30643	2.5
411.68280	0.5
419.11676	0.6
433.20871	0.7
445.20670	0.6
445.29828	3.8
463.21100	0.7
583.31079	0.9
643.33685	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	643.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05868	1.5
59.01392	2.4
61.92265	1.5
64.35445	1.4
66.91663	1.5
71.94369	1.8
78.95908	9.7
83.05015	15.7
92.30418	1.8
110.07372	1.6
116.92820	2.8
128.76418	1.8
135.04572	2.7
138.98030	9.6
157.01801	1.7
189.01933	2.6
191.05571	10.1
199.02858	7.1
217.01419	4.1
303.62085	1.9
316.28799	1.9
323.34787	1.9
405.04401	2.2
485.32587	2.5
520.40991	2.0
583.29529	73.2
643.31750	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	643.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55094	1.7
61.98818	2.2
72.75597	1.7
74.91119	1.8
75.61787	1.9
76.91200	1.9
78.95485	2.0
78.95917	11.0
98.37218	2.3
120.19472	2.2
122.54557	2.2
138.98013	3.8
166.63524	2.2
247.97020	2.3
350.59094	2.1
467.31741	2.6
485.32803	3.0
583.29462	14.1
643.31671	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	643.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75328	2.6
56.94600	2.8
59.01369	35.0
61.98819	3.5
69.30760	3.5
71.01372	4.3
72.27164	3.1
84.88598	3.4
85.02953	5.9
93.03481	4.2
96.96009	4.7
99.48952	3.8
109.02962	4.3
135.04454	6.8
137.02364	3.4
175.89441	3.9
177.01842	6.5
183.10248	19.6
189.01917	31.8
191.05603	42.1
197.11853	44.3
209.11781	25.8
216.00519	4.3
217.01436	42.5
227.12840	6.5
242.75822	3.7
254.60756	3.5
307.73074	3.8
401.30621	31.5
406.37228	3.6
417.25134	5.9
445.29541	100.0
497.20236	5.2
643.32190	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	643.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70234	0.4
51.86067	0.4
56.30108	0.3
56.90535	0.4
59.01377	100.0
60.99305	0.9
61.30041	0.4
61.98824	14.1
65.58111	0.4
71.01366	0.7
74.99072	0.4
83.01373	0.5
85.02911	2.9
87.00883	0.9
88.98790	6.0
89.02427	0.9
93.03445	2.5
96.95988	2.4
101.02401	0.9
109.02923	0.6
113.02389	0.9
117.50353	0.4
119.05051	0.6
121.02926	0.5
125.02433	0.6
127.03978	0.6
135.04500	8.3
151.00366	4.9
151.03992	0.8
156.41212	0.5
161.02457	1.0
165.05577	0.6
173.04573	0.7
179.03374	0.5
181.03439	0.9
181.05040	23.9
185.06197	0.4
191.05591	18.3
192.05942	0.5
196.07396	34.1
211.09756	50.0
212.10020	0.4
216.52112	0.4
255.06630	0.9
267.06638	0.4
271.02487	0.5
280.03561	0.6
287.05591	0.8
300.02802	0.9
301.03375	0.7
371.13559	0.5
387.08554	0.5
405.10004	0.5
421.18723	21.0
444.25510	0.5
467.09973	2.1
483.99585	0.5
543.96918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39029	0.4
59.01379	2.7
59.22918	0.4
61.98841	1.8
63.33869	0.4
63.65582	0.4
64.33189	0.4
67.01898	0.7
71.01374	0.9
81.03445	0.9
85.02968	1.8
86.99855	0.5
87.00894	0.5
93.03461	2.1
95.01436	0.5
96.96006	1.0
100.03540	0.4
109.02963	2.7
116.92784	0.4
123.04504	5.5
125.02431	0.7
133.02940	0.6
135.04506	4.3
135.08182	0.5
136.05344	1.0
137.02426	16.6
151.00392	3.8
151.03983	1.0
152.01172	0.6
161.02403	0.7
163.04030	0.7
165.01913	100.0
165.05533	4.1
165.09267	0.8
166.02679	7.4
167.03482	0.6
170.91415	0.5
175.03972	0.6
177.01947	1.1
177.05504	0.7
179.03490	14.7
180.04271	51.6
181.05023	7.0
181.08684	0.6
189.01915	0.8
191.03621	0.9
191.05595	11.1
194.05838	1.8
195.03000	3.4
195.06610	50.8
203.03448	0.9
205.04970	0.7
208.48953	0.5
209.04588	0.5
209.11818	1.1
210.05315	11.1
217.01385	0.6
218.05942	0.8
225.07683	38.7
233.08211	1.1
271.09753	1.1
373.13208	0.7
387.14587	2.6
417.15424	6.0
419.11343	0.6
433.15201	0.8
450.03699	0.6
481.35361	3.6
587.26770	0.5
595.21893	2.0
607.27026	0.7
643.24451	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	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.29802	0.3
67.01884	0.6
85.02966	0.6
92.10765	0.9
93.03470	1.5
94.83043	0.4
109.02932	3.9
121.02928	0.5
123.00882	0.8
123.04544	0.7
135.04533	1.4
136.01631	1.7
137.02429	24.8
150.03253	2.0
151.00327	5.2
151.03969	3.8
152.01123	0.8
152.04781	0.9
153.05573	0.6
153.53055	0.3
161.02396	0.5
162.03270	0.4
163.03957	0.7
164.01141	2.0
165.01923	100.0
165.05571	3.0
166.02716	17.3
167.03511	2.7
175.03993	1.7
177.01961	1.5
177.05629	0.7
178.02710	0.6
179.03511	20.8
180.04280	52.1
181.05060	15.4
186.02995	0.4
187.04019	1.8
191.03648	0.4
191.05630	2.8
192.04340	0.5
193.05042	0.9
194.05870	3.4
195.03044	3.0
195.06631	47.8
196.06946	0.4
202.06253	0.4
204.04285	0.7
205.04984	3.8
207.06688	0.8
210.05353	9.4
220.07401	2.5
225.07695	27.9
265.04727	0.5
295.64999	0.4
304.62772	0.4
341.10269	0.5
359.11246	1.4
371.11273	0.7
382.37469	0.4
382.92123	0.4
386.13708	0.5
387.09988	3.1
387.15201	3.8
402.13083	0.7
403.14111	0.8
416.14764	0.4
417.15576	17.0
459.07065	1.7
565.18060	3.2
569.10876	0.7
580.19141	0.4
595.21832	28.3
643.23865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78743	6.6
59.01383	65.1
61.98829	9.7
64.93153	7.0
67.20137	6.5
71.01381	7.8
75.32980	5.8
76.28999	6.1
80.05095	8.9
85.02963	10.4
89.02457	9.8
93.03476	7.5
93.32325	7.3
94.06599	6.6
108.83182	7.3
116.60754	6.8
122.06093	69.6
126.71117	7.8
135.04498	44.1
142.14851	7.4
152.07167	87.0
167.30220	6.8
191.05577	64.3
195.10266	7.5
195.86415	7.0
209.11844	11.1
213.10367	42.8
239.11905	31.0
241.13394	10.0
245.12968	10.8
248.32994	7.4
285.04303	8.3
285.12509	60.9
358.15613	53.4
400.16614	28.9
491.19556	7.7
523.23096	14.6
565.24652	63.3
609.23608	100.0
641.26343	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.0
60.45975	0.7
61.61958	0.7
61.98817	6.7
77.97667	0.8
80.05043	15.4
81.07393	0.9
94.06590	4.7
104.05032	6.6
106.06599	3.7
107.03754	5.5
116.92854	1.2
120.04562	1.7
120.08165	4.2
121.05322	4.2
122.06099	62.6
124.07661	1.0
130.06575	1.1
132.04517	5.3
134.06085	22.0
139.02744	1.2
148.04005	5.4
150.05602	2.1
152.07156	82.6
158.02399	1.2
160.04053	2.0
160.06409	14.3
161.04767	3.7
164.07216	1.1
174.05542	8.7
186.05540	1.1
189.29558	0.9
190.05086	4.1
191.05559	5.5
197.07024	1.4
198.12843	1.8
208.42349	0.8
211.08829	1.6
213.10329	64.7
216.87370	1.0
223.08730	4.1
225.10316	6.0
226.11029	5.6
235.08673	1.3
237.10287	2.0
239.09720	1.2
239.11856	30.8
241.13458	28.6
245.12932	14.3
249.06601	2.0
251.11832	5.9
263.08011	1.5
265.09702	4.7
267.11420	1.8
277.09650	1.0
285.12442	100.0
286.12772	1.0
293.09320	3.0
293.12836	16.8
295.10712	9.9
300.11661	1.1
301.12054	1.1
313.11914	7.4
314.12744	1.1
315.10327	1.0
316.14499	3.5
323.10342	10.5
325.11948	4.2
326.12717	1.0
327.09540	1.1
328.11102	6.3
328.14508	1.5
330.12405	2.0
332.17764	1.6
339.09811	1.8
340.14523	3.4
342.12445	4.9
343.13245	9.8
344.13971	5.4
349.67908	0.9
355.13055	8.2
356.13892	3.6
356.17923	3.2
357.14685	7.4
358.15567	33.1
359.15930	1.6
370.11807	4.8
372.17102	3.4
382.15704	1.0
384.13373	7.8
384.17667	1.1
385.14078	1.7
397.13791	1.4
399.15887	1.1
400.16656	24.1
400.42905	1.3
412.16879	6.9
497.25500	1.9
509.22131	1.4
523.23389	13.2
524.24152	1.6
565.24554	82.3
566.24860	1.9
568.23383	4.5
609.23596	94.2
610.23724	3.9
641.26184	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	641.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44389	0.5
56.06186	0.4
57.08027	0.5
59.01375	99.2
60.99306	0.8
61.98826	5.2
67.01877	0.6
70.49931	0.5
71.01382	3.1
73.02943	0.8
75.00915	0.7
83.01382	0.6
85.02937	5.2
87.00864	2.6
88.26988	0.5
88.98797	0.9
89.02423	0.7
93.03438	6.6
95.01357	0.5
96.95985	0.8
101.68482	0.5
107.01362	1.0
109.02936	2.2
113.02427	0.8
116.92866	1.2
123.04382	0.7
125.02435	0.9
127.04004	0.6
133.02969	2.2
134.03700	0.8
135.04486	6.5
137.02403	0.7
151.00328	3.7
151.04012	2.4
161.02423	17.1
161.04468	0.9
163.00340	0.9
173.04495	2.3
176.04773	11.8
179.01878	0.9
179.03468	26.1
191.05606	26.0
191.07133	4.8
192.05939	1.1
194.05811	40.0
195.04730	0.7
202.99863	1.1
209.08185	100.0
210.08549	0.8
260.92139	0.6
271.02380	0.7
285.03970	4.8
289.07211	0.6
305.83557	0.6
323.05692	0.6
419.17029	11.1
423.31445	0.6
449.08902	0.6
449.14554	1.2
531.11517	2.6
641.14655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14238	1.0
54.79958	1.0
55.01882	4.6
56.10075	1.1
57.03456	2.3
58.00615	1.1
59.01375	100.0
60.08650	1.0
67.01902	1.1
69.03470	2.4
71.01370	70.8
72.99303	4.6
73.02933	31.3
73.03312	1.1
83.01376	10.3
83.66497	1.2
85.02930	29.8
85.03403	1.3
87.00856	11.4
89.02426	86.4
93.03462	7.4
95.01363	6.0
97.02951	6.8
99.00854	29.2
101.02427	48.6
109.02951	1.6
111.00890	2.4
111.04522	2.1
113.02425	35.4
119.03481	15.8
125.02418	19.4
131.03487	15.0
135.04518	2.4
137.02405	1.5
143.03494	7.7
145.01942	1.2
148.84222	1.2
149.04556	16.2
151.04024	1.8
161.02409	1.3
161.04530	9.9
175.03978	1.7
177.01866	1.8
179.05643	10.4
179.06998	1.3
191.05603	51.6
192.05919	1.8
202.99893	1.2
203.05490	1.6
215.33589	1.2
221.06660	12.3
233.06717	1.6
261.13754	1.7
263.07654	2.4
296.03076	4.7
297.03445	2.9
297.17010	1.5
311.05576	1.4
375.16312	4.9
393.17633	9.4
401.11932	1.9
405.17758	9.9
423.18756	5.9
423.84320	1.3
448.07455	5.8
449.07993	12.3
465.19833	2.7
537.21863	57.3
555.22882	59.7
556.23566	2.1
597.24030	16.4
641.30408	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	641.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39723	0.2
59.01365	2.3
61.98845	0.3
67.01893	0.3
70.26811	0.2
71.01379	1.0
73.02918	0.3
77.24513	0.2
79.41278	0.2
79.59350	0.2
81.03478	0.4
83.05040	0.3
85.02934	14.4
87.00860	2.8
89.42441	0.2
92.10146	0.5
93.03436	5.6
99.04460	0.3
108.40627	0.2
109.02932	2.0
111.04519	1.5
113.91229	0.2
123.04510	0.5
127.03963	3.8
137.02435	0.3
151.03972	0.4
155.03403	0.4
171.02986	1.3
173.04514	2.2
175.04121	0.3
191.05597	100.0
192.05936	0.3
196.80295	0.2
199.04031	0.3
213.05554	0.4
227.03494	1.4
228.04262	1.0
243.02959	2.2
255.02975	9.5
256.03708	2.9
257.04547	1.9
269.04486	1.2
282.01746	0.4
283.02536	1.4
285.04022	4.9
297.04047	1.2
314.54968	0.2
319.81573	0.2
348.34119	0.2
407.07709	11.6
449.09048	1.8
461.07053	0.4
565.89587	0.3
641.15039	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	641.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01385	2.7
63.84251	0.5
67.01900	1.1
69.46945	0.5
71.01386	2.2
71.53848	0.5
83.01391	0.6
83.05035	0.6
85.02419	0.8
85.02938	18.7
87.00870	3.4
87.61605	0.5
92.10213	0.7
93.03432	9.4
95.05025	0.6
96.95992	1.3
97.02932	0.6
99.04565	0.6
108.02164	2.0
109.02945	16.3
111.04521	3.5
121.02924	4.4
122.03760	1.0
123.04472	5.0
125.02419	5.9
127.04030	4.7
133.02962	2.2
134.03749	2.4
135.04517	2.7
137.02438	4.2
139.03955	0.9
145.02948	0.8
147.04488	3.8
149.02477	4.5
149.06134	0.5
151.04018	3.3
152.14194	0.5
154.02567	0.5
155.03499	0.6
157.69438	0.6
159.04454	1.3
161.02425	9.5
161.06123	0.9
162.03123	4.2
163.00369	3.3
163.03966	2.1
164.01164	0.7
164.04724	0.6
165.01927	9.3
171.02972	0.9
171.04411	0.8
173.02573	0.9
173.04533	3.0
173.05927	1.6
174.03175	2.0
175.03981	5.4
176.01141	3.0
177.01907	13.7
178.02638	0.6
179.03503	0.7
182.03680	0.7
185.06087	1.8
187.04028	2.0
189.01907	15.7
189.05400	0.8
190.02719	13.4
191.03673	5.7
191.05603	100.0
192.06027	1.1
197.06049	1.2
199.03973	3.3
201.01990	0.8
201.05655	2.1
202.99910	0.7
203.03534	1.0
205.01315	1.9
205.05060	1.0
209.04449	0.7
209.06174	0.6
211.04025	2.5
211.07555	0.8
212.04851	1.2
213.05566	3.3
214.02708	0.6
216.00528	0.7
217.01466	11.5
217.05020	5.1
218.02258	1.0
225.05577	3.2
227.03503	2.4
227.07170	1.0
229.01443	0.8
229.05000	2.2
229.08342	0.7
231.02922	3.4
239.03494	1.0
240.04347	0.9
241.05060	2.9
243.02942	2.7
243.06554	2.0
245.08163	0.6
247.06084	0.8
253.05040	3.9
255.02957	2.7
255.06682	1.9
256.03784	3.0
257.04340	0.6
267.02866	1.2
269.04556	7.0
271.06210	1.1
279.03079	0.5
281.04630	3.7
283.02759	1.5
283.05856	1.1
284.03244	13.7
285.03995	6.1
289.07309	0.9
295.06052	1.1
296.03210	0.6
297.04016	24.8
298.04694	2.2
299.05573	5.4
301.06934	0.6
309.04001	1.0
325.03546	2.8
327.05112	2.9
339.05090	0.9
341.06708	1.0
381.09503	0.8
405.09732	0.7
423.10846	3.6
431.07764	0.8
449.08771	79.1
450.09128	0.9
641.15009	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	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44464	0.6
59.01372	3.1
71.01360	1.0
81.03462	1.0
81.85726	0.8
83.01395	0.9
85.02944	14.6
87.00864	1.9
89.72516	0.8
93.03429	7.5
99.04529	1.1
108.02195	0.9
109.02943	12.4
117.03463	0.9
121.02935	3.5
123.04497	4.9
125.02406	3.7
127.03976	4.0
133.02896	1.7
134.03775	1.7
135.04494	2.0
137.02420	4.0
145.02881	0.8
147.04521	1.6
149.02406	4.7
151.04013	1.9
159.04436	1.3
161.02454	7.9
161.05991	1.4
162.03221	3.4
163.00359	1.6
163.03996	1.0
164.01152	1.0
165.01915	6.9
173.04549	1.0
175.03960	6.0
176.01102	1.5
177.01932	12.7
179.03339	1.0
185.06122	1.0
189.01929	15.3
190.02686	11.5
191.03650	4.2
191.05594	100.0
199.04028	1.2
200.14180	0.9
205.04909	1.1
213.05518	0.9
214.02811	1.3
216.00598	1.1
217.01418	11.6
217.04932	6.1
225.05482	1.2
227.03371	3.5
227.06950	1.3
229.01422	1.1
231.02859	3.0
241.05017	1.7
243.02962	1.5
243.06465	1.1
253.04930	3.3
255.02980	3.6
255.06406	1.6
256.03720	3.0
257.04492	1.1
269.04568	6.4
271.02606	1.0
281.04584	2.0
283.02551	1.1
284.03256	14.2
285.03964	4.4
295.06042	1.4
297.04022	22.0
299.05521	5.1
300.02756	1.8
322.04761	1.3
325.03445	1.8
327.04849	1.3
339.04892	2.9
381.09424	0.9
423.10977	4.2
449.08777	72.8
450.09302	1.4
463.08997	1.5
641.15057	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	641.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44464	0.6
59.01372	3.1
71.01360	1.0
81.03462	1.0
81.85726	0.8
83.01395	0.9
85.02944	14.6
87.00864	1.9
89.72516	0.8
93.03429	7.5
99.04529	1.1
108.02195	0.9
109.02943	12.4
117.03463	0.9
121.02935	3.5
123.04497	4.9
125.02406	3.7
127.03976	4.0
133.02896	1.7
134.03775	1.7
135.04494	2.0
137.02420	4.0
145.02881	0.8
147.04521	1.6
149.02406	4.7
151.04013	1.9
159.04436	1.3
161.02454	7.9
161.05991	1.4
162.03221	3.4
163.00359	1.6
163.03996	1.0
164.01152	1.0
165.01915	6.9
173.04549	1.0
175.03960	6.0
176.01102	1.5
177.01932	12.7
179.03339	1.0
185.06122	1.0
189.01929	15.3
190.02686	11.5
191.03650	4.2
191.05594	100.0
199.04028	1.2
200.14180	0.9
205.04909	1.1
213.05518	0.9
214.02811	1.3
216.00598	1.1
217.01418	11.6
217.04932	6.1
225.05482	1.2
227.03371	3.5
227.06950	1.3
229.01422	1.1
231.02859	3.0
241.05017	1.7
243.02962	1.5
243.06465	1.1
253.04930	3.3
255.02980	3.6
255.06406	1.6
256.03720	3.0
257.04492	1.1
269.04568	6.4
271.02606	1.0
281.04584	2.0
283.02551	1.1
284.03256	14.2
285.03964	4.4
295.06042	1.4
297.04022	22.0
299.05521	5.1
300.02756	1.8
322.04761	1.3
325.03445	1.8
327.04849	1.3
339.04892	2.9
381.09424	0.9
423.10977	4.2
449.08777	72.8
450.09302	1.4
463.08997	1.5
641.15057	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11444	0.4
59.01381	1.8
67.01884	0.7
68.14093	0.4
68.89028	0.4
71.01378	1.8
73.02930	0.7
81.03448	0.7
83.01387	0.9
83.05026	0.7
85.02940	18.0
85.03411	0.7
87.00858	4.0
93.03445	10.3
94.26476	0.4
95.01373	0.7
95.05027	0.7
96.50936	0.4
96.95998	2.9
109.02937	8.7
111.04519	2.3
121.02905	3.1
123.00896	1.6
123.04510	6.5
125.02403	1.8
127.03985	4.0
130.08760	0.5
133.02898	0.5
135.04568	1.0
137.02428	0.9
139.03981	0.8
143.05009	1.0
145.02972	0.6
147.04501	2.2
149.02434	2.1
151.04031	1.0
155.05014	2.1
158.03665	0.5
159.04466	2.1
161.02380	2.1
161.06091	2.1
163.00404	3.1
163.03957	2.5
165.01907	1.1
171.03072	0.9
171.04523	1.7
173.02417	2.8
173.04520	3.8
173.05943	1.3
173.22302	0.4
174.03206	6.6
175.03983	15.9
177.01978	1.1
177.05522	0.6
181.06577	3.5
182.03749	0.9
183.04506	2.5
185.06001	1.1
187.04054	4.0
189.01952	2.0
189.05591	0.6
190.02774	0.7
191.05602	100.0
192.05943	0.9
195.04526	0.8
196.05327	1.7
197.02452	0.6
197.06177	3.2
198.03200	3.0
199.03999	11.7
201.01933	5.1
201.05525	2.5
201.72136	0.5
203.03535	0.8
205.05031	2.4
207.04573	0.7
208.05177	0.6
209.06087	9.6
210.03281	1.0
211.03999	10.4
212.04793	2.2
213.05557	5.4
214.02704	2.6
215.03517	7.5
217.01471	0.9
217.04979	3.1
223.04028	0.7
224.04790	2.1
225.05551	8.0
226.02690	0.5
226.06262	0.5
227.03494	6.0
229.05067	3.5
231.02928	1.9
235.04002	3.2
239.03484	2.5
240.04312	4.2
241.04999	4.4
242.02238	0.9
243.02969	27.7
251.03465	7.1
253.05055	21.2
254.05798	2.5
255.03029	2.2
255.06715	0.9
256.03812	0.8
257.04517	0.7
269.04507	2.4
273.04095	3.2
279.03000	7.4
281.04623	3.2
284.03363	0.7
285.03848	0.6
297.04022	38.5
298.04449	0.6
299.05521	0.7
363.08798	6.0
381.09674	1.8
381.75827	0.5
405.09689	5.5
407.07846	0.8
423.11087	2.6
431.07916	1.7
449.08768	44.4
450.08704	0.7
467.09500	0.5
641.15070	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	639.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
57.83530	0.3
59.01370	1.0
67.01891	0.8
69.03446	0.5
71.01382	0.9
74.62042	0.4
81.03446	3.6
83.01390	4.5
85.02955	1.6
87.00854	0.7
92.10153	0.7
93.03452	4.5
95.01403	0.5
95.05024	5.0
96.95980	5.2
97.02938	9.0
100.53149	0.4
108.02155	0.8
108.44099	0.5
109.02946	36.2
111.04531	0.9
119.04984	0.5
121.02947	3.9
122.03723	1.9
123.04507	24.9
125.02431	23.9
125.03348	0.8
127.04062	0.5
133.02945	0.9
135.04474	2.8
137.02435	14.3
138.03207	1.6
139.04008	6.2
145.02942	1.6
146.03735	2.0
147.04567	0.5
149.02434	5.0
149.92897	0.4
150.03207	2.1
151.03998	13.9
157.06499	0.6
159.04475	4.4
160.05264	2.4
161.02457	2.1
161.06087	6.7
162.03183	1.7
163.04004	2.2
164.01163	6.2
165.01906	4.9
166.02660	0.5
166.70047	0.4
167.03470	2.5
173.04594	0.6
173.06044	0.8
174.03185	0.7
175.03983	2.8
175.07605	2.7
177.05547	0.9
179.03464	7.3
185.06097	2.5
186.06776	0.6
187.03981	7.5
188.04765	5.3
191.05611	16.3
199.07655	0.9
200.43387	0.4
201.05559	0.6
202.06331	3.0
203.07149	19.5
205.05052	10.9
212.04709	0.5
217.08553	0.4
221.08200	6.1
222.38788	0.4
227.07294	3.0
230.05765	1.6
243.02911	0.5
245.08179	22.5
247.06108	0.9
264.44650	0.4
271.05951	0.8
289.07178	100.0
290.07465	2.7
295.02591	0.6
296.03317	0.5
372.23654	0.4
447.07266	2.6
639.19904	0.5
645.07556	0.4
650.90289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.4
59.01374	64.2
59.01670	2.1
66.47322	1.3
68.56003	1.0
71.01369	26.7
72.99286	1.8
85.02952	5.6
86.35362	1.2
89.02420	35.3
90.35211	1.1
95.01366	1.6
96.96011	4.8
101.02431	20.9
113.02427	11.0
119.03477	16.9
127.17281	1.1
141.12585	1.0
153.05479	1.6
154.45705	1.1
182.02203	1.7
191.05611	12.5
197.04485	1.3
242.44212	1.3
251.42371	1.2
323.13474	100.0
326.63013	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	639.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35660	0.5
51.39707	0.5
54.93747	0.6
55.47543	0.6
55.95305	0.5
57.34425	0.6
59.01374	64.1
60.75031	0.8
63.27422	0.6
67.19470	0.6
71.01369	30.6
72.99307	1.5
73.02941	0.8
76.29021	0.7
83.01391	1.7
85.02933	6.7
87.00882	1.3
88.05188	0.6
89.02427	32.7
92.10778	1.5
93.03447	1.0
95.01375	1.5
96.95998	4.3
101.02422	20.2
101.03034	1.0
105.00935	0.6
113.02434	13.6
119.03470	15.5
131.03505	1.0
142.02196	0.8
153.05550	0.8
158.09306	0.7
189.09659	0.7
191.05634	7.4
223.03954	1.3
267.02795	1.4
323.13470	100.0
360.02121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83588	0.7
52.30878	0.7
57.71582	0.8
59.01368	1.5
61.98822	100.0
67.06730	0.7
76.55846	0.9
85.12275	0.8
87.97520	0.9
143.21585	0.9
153.15373	0.9
169.44427	0.8
313.70438	1.1
367.36099	0.9
386.51990	1.1
456.30786	1.0
470.61090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99065	0.2
52.42735	0.3
53.83649	0.3
59.01365	1.6
67.01892	0.6
71.01382	0.5
85.02939	4.5
87.00898	0.4
93.03448	2.3
95.05009	0.8
96.96004	2.4
98.95608	0.4
109.02943	2.5
111.00873	0.6
116.92816	0.3
123.04499	7.7
127.04018	0.7
135.04469	0.8
139.03979	0.5
150.03142	0.8
151.03951	1.7
163.03952	0.3
173.04507	1.3
179.03450	0.5
184.46349	0.3
191.05594	16.2
192.06046	0.4
196.05322	0.4
200.12784	0.3
223.03934	0.7
224.04802	0.6
227.03490	0.5
239.03453	2.5
240.04308	3.4
241.04982	0.6
251.03522	2.4
257.04694	0.5
267.02948	6.0
268.03757	10.5
269.04523	0.8
281.04422	0.6
282.01764	6.1
282.04742	0.6
283.02380	3.7
285.03976	0.7
293.04596	0.4
294.05246	0.8
295.02444	38.6
296.03232	32.0
297.03943	4.5
300.02505	0.5
301.07120	0.5
309.04028	2.2
310.04959	0.6
321.03943	0.4
322.01059	0.5
323.01938	8.9
325.03415	3.1
328.02158	2.8
337.03531	0.7
338.04288	1.3
339.05505	0.3
403.08249	1.9
442.11816	0.6
447.07196	100.0
448.07700	1.7
456.84882	0.4
549.12354	0.7
580.48944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84527	11.3
59.01372	14.4
61.98824	28.6
63.05370	10.3
75.53823	10.9
75.84319	11.1
78.69025	11.0
85.02939	43.3
93.03493	19.0
121.02872	14.2
191.05536	100.0
246.63855	12.4
311.13040	13.0
359.69189	13.7
619.28217	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	637.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.0
59.24014	1.4
61.77705	1.4
71.01370	2.2
87.29210	1.3
89.02410	3.3
95.85591	1.4
101.02425	3.1
137.43367	1.4
181.07166	33.8
244.99100	1.4
332.99200	1.5
349.34756	1.6
376.94266	2.0
455.35309	100.0
456.35495	3.0
498.33420	1.7
563.68591	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	635.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13375	0.5
53.96006	0.5
55.15450	0.5
59.01376	100.0
60.05090	0.5
71.01382	2.8
71.46664	0.5
83.84023	0.5
85.02955	0.7
88.22029	0.5
89.02432	2.6
89.93497	0.5
101.02428	0.7
113.02426	1.0
115.73700	0.5
119.03440	1.0
133.55617	0.5
148.27910	0.5
155.69057	0.6
179.05458	0.6
540.60089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45216	0.3
58.02972	18.8
58.68888	0.3
59.01379	0.3
61.35698	0.3
65.91689	0.3
70.02966	7.6
72.00890	5.5
74.20365	0.3
76.66865	0.3
85.02941	0.3
87.00872	0.3
91.05510	9.8
92.10189	0.6
93.03427	2.5
96.96016	0.6
109.02944	0.4
116.92844	0.5
135.04459	2.5
147.04509	34.2
162.09314	0.4
164.07156	86.0
165.07475	0.7
179.03517	0.4
191.05624	6.4
192.06010	0.5
203.76602	0.3
206.08214	100.0
207.08577	0.6
250.07060	0.6
257.12933	0.3
290.74146	0.3
342.98532	0.3
443.10852	1.7
443.60922	0.6
502.35535	0.3
561.31097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99703	0.8
59.01379	16.7
60.99311	1.3
61.98849	1.1
67.01905	1.3
69.03458	0.9
71.01376	14.1
71.42049	0.9
72.99308	1.5
73.02943	1.1
81.03474	1.0
83.01372	4.4
85.02949	17.3
87.00887	7.7
88.98782	1.1
89.02423	3.6
93.03435	42.7
96.95979	4.1
97.32690	1.0
99.00867	1.1
101.02451	7.7
109.02929	4.4
111.04529	2.4
113.02452	4.3
116.92829	14.0
118.98061	1.7
121.01926	0.8
121.02914	6.2
123.04535	1.0
125.02430	1.1
127.03992	1.4
129.01942	1.0
133.02940	7.3
135.04489	3.9
136.70802	0.9
137.02432	20.9
148.05327	1.0
173.04497	5.6
177.01884	1.6
181.50146	0.9
191.05603	63.9
195.13867	1.4
201.01929	2.0
208.45816	1.2
213.53192	1.0
225.01912	2.0
227.07040	8.3
267.02921	6.7
269.00912	27.9
288.40109	1.1
330.05222	1.3
347.05475	1.5
359.05576	1.5
375.05008	1.7
403.04559	100.0
445.05615	21.7
463.06799	1.8
485.12814	8.7
637.11969	45.9
637.28571	6.1
637.39557	17.0
638.12366	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25135	0.9
55.64795	0.9
59.01379	14.6
61.98832	1.1
68.83156	0.9
71.94878	1.0
94.38512	1.3
117.03438	2.7
119.05021	2.2
145.02951	14.2
146.03293	5.1
147.03505	1.3
147.04512	1.2
165.05600	17.5
265.28928	1.3
455.31564	1.5
469.33255	4.2
487.34464	1.6
605.24097	1.2
635.39496	100.0
636.39874	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	635.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81651	0.9
58.25716	0.8
59.01374	100.0
61.77610	0.9
71.01378	2.0
77.33191	1.1
85.02956	2.0
90.20596	1.0
91.27734	0.9
101.02421	2.2
113.08812	0.9
131.03473	5.8
141.74782	1.1
145.02927	2.5
166.14420	1.0
189.06006	1.1
191.05571	4.7
311.66559	1.0
473.96719	1.1
575.39551	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	635.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	63.4
59.02972	1.2
59.90682	1.3
71.01368	34.5
72.99277	1.8
73.42200	1.3
85.02927	10.5
89.02419	41.5
95.01403	1.8
95.53535	1.6
96.96009	10.2
101.02431	23.2
113.02423	13.0
116.92831	1.6
119.03461	19.9
123.04427	1.9
184.54495	1.6
191.05576	10.2
255.60892	1.6
323.13470	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	635.2511
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
63.79850	1.6
68.49374	1.9
76.97339	1.6
78.95894	7.2
85.36905	1.9
89.62370	1.8
131.73537	1.9
152.99586	10.9
160.47173	1.9
171.10269	31.4
227.03380	2.3
253.21814	3.1
399.13925	18.5
445.16351	3.8
459.19122	3.0
473.15588	6.9
474.17212	4.6
475.17725	3.6
487.18024	2.4
488.18542	8.3
489.19162	2.8
490.20316	2.6
505.22849	3.1
575.22894	25.7
576.23749	8.5
635.25183	100.0
635.35126	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	635.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55775	1.4
54.14600	1.3
57.23247	1.5
64.80290	1.8
75.50510	1.5
104.76797	1.6
117.03452	19.8
119.04996	29.9
121.02946	60.7
132.78818	1.6
136.10303	1.7
144.17194	1.7
145.02950	95.5
163.04030	2.8
191.05594	2.1
217.54124	1.6
249.04066	1.6
390.12091	1.5
453.33786	2.1
497.32632	17.9
617.38501	100.0
618.39203	2.9
635.39282	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	633.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32772	6.0
55.14015	5.9
59.01392	10.5
59.98020	5.5
71.91310	5.7
91.53773	6.8
116.92841	57.5
117.03417	10.9
119.04962	10.7
126.71196	8.0
145.02951	46.8
147.04501	26.3
191.05602	10.5
229.40213	6.7
316.67297	8.3
405.31790	10.3
423.32825	54.5
441.33530	11.8
467.31750	27.3
492.04416	7.1
571.37531	49.3
582.19769	7.9
589.38776	10.3
633.37775	100.0
645.05865	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	633.4008
Annotation	Kolokoside B
Peak:m/z	Relative Intensity
51.51863	0.4
55.01881	1.4
55.88252	0.3
57.03447	0.6
59.01372	7.5
64.65367	0.3
67.32323	0.3
71.01369	7.4
71.05016	0.5
72.99309	0.3
73.02930	2.8
82.64887	0.3
83.01382	1.9
85.02940	6.2
86.00125	0.4
89.02448	0.6
93.03459	0.6
95.01373	1.4
98.86487	0.3
99.00867	1.7
101.02439	6.5
113.02461	2.9
116.70179	0.3
116.92839	1.8
145.02933	0.6
191.05608	4.8
283.13470	0.6
285.03943	0.4
297.27612	0.3
453.33813	0.5
573.37695	0.7
615.39026	10.3
616.38916	0.5
633.40088	100.0
634.40088	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	633.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94336	0.2
55.86695	0.2
88.26777	0.2
93.21706	0.2
98.80295	0.2
116.92865	0.4
117.03422	1.0
132.02155	1.0
132.07132	0.2
133.02933	29.5
134.03738	3.7
135.04491	8.3
137.02419	2.0
139.03969	0.5
145.02899	1.3
145.19547	0.3
150.27809	0.3
161.02420	95.0
163.03964	0.3
175.26701	0.2
178.02626	0.5
179.03485	2.7
220.65518	0.2
255.23564	0.3
439.32355	0.3
558.32416	0.2
633.37964	100.0
634.38116	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	633.3796
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
50.69021	0.2
59.88088	0.2
66.63465	0.2
69.34357	0.2
69.57736	0.2
79.74532	0.2
83.55575	0.2
94.43224	0.2
109.02885	0.2
117.03458	1.1
118.49166	0.2
121.02878	0.3
123.68656	0.2
132.02165	1.0
133.02946	31.1
134.03745	4.5
135.04515	11.3
135.05542	0.4
137.02441	3.0
139.04022	0.5
145.02922	0.2
155.51779	0.2
161.02431	100.0
162.02754	0.9
178.02696	1.3
179.03452	2.6
243.47156	0.2
278.41550	0.2
329.99167	0.2
340.77243	0.2
497.33044	0.7
633.37982	84.2
634.38373	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	633.379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98424	0.3
66.49525	0.2
66.79992	0.2
75.72515	0.3
100.79469	0.3
102.28895	0.3
103.11729	0.2
106.04230	0.3
114.36669	0.3
117.03413	2.5
118.39039	0.2
132.02173	1.0
133.02936	29.7
134.03770	4.0
135.04506	9.5
137.02414	2.8
139.04001	1.2
145.02959	0.3
161.02422	100.0
162.02779	0.5
178.02693	1.4
179.03439	2.5
217.79369	0.3
217.81487	0.3
453.34027	0.3
461.79663	0.3
497.32660	0.6
514.92279	0.3
570.93695	0.3
589.39313	0.4
633.37982	93.5
634.38495	3.5
648.40851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3799
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.83444	0.2
59.91006	0.2
63.77683	0.2
64.60648	0.2
87.65017	0.3
96.82928	0.3
98.38153	0.2
111.82922	0.2
117.03445	22.6
119.05013	3.7
121.02894	0.4
128.11765	0.3
145.02939	100.0
146.03308	0.4
163.03981	1.5
185.46469	0.3
191.05524	0.8
201.83688	0.3
214.00545	0.3
289.50586	0.3
343.05182	0.3
355.61194	0.3
402.53250	0.2
421.30991	0.5
439.32098	0.3
445.61862	0.3
469.33002	0.6
530.78870	0.3
615.80151	0.4
633.37964	42.7
634.38464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18141	0.1
56.67047	0.1
71.05006	1.2
83.05032	0.3
92.10191	0.4
93.03436	0.2
112.16098	0.1
117.03454	25.9
118.04256	0.3
119.05013	13.1
121.02928	1.9
123.04533	0.3
133.02908	0.2
145.02945	100.0
146.03259	1.1
162.03235	0.9
163.04051	1.0
409.31174	0.5
423.18552	0.2
469.33167	1.8
487.34375	0.2
513.32202	0.9
577.00909	0.1
589.38800	1.6
633.37976	56.5
634.38025	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	633.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.9
59.01374	10.1
61.98841	1.7
64.33603	1.2
65.00320	2.1
71.01387	2.9
78.95891	2.5
83.01399	6.6
85.02950	1.9
87.00862	2.3
89.02432	2.0
93.03461	6.4
96.95985	26.1
96.96938	2.5
101.02426	1.8
107.01391	5.7
109.02933	10.2
116.92847	8.7
117.72115	1.4
121.02908	2.4
123.04487	6.3
124.01611	1.9
125.02421	100.0
133.02937	2.3
135.04515	15.4
137.02367	2.7
138.92996	1.5
139.04057	2.6
147.04494	1.6
149.02425	8.1
150.03232	3.2
151.00366	20.1
151.04004	9.1
152.01157	7.9
153.01910	11.9
161.02422	1.7
165.01935	1.6
172.05408	1.6
174.03233	2.8
175.03987	20.0
177.01938	23.7
178.99838	12.6
188.04762	2.6
189.01907	2.9
189.05573	9.6
191.05603	17.3
192.05917	1.6
199.04057	11.7
201.02029	2.0
213.05577	2.1
215.03435	7.2
216.04245	1.5
217.05046	15.5
231.06645	1.9
241.04971	12.5
259.06201	2.5
275.05475	2.9
285.04044	61.2
303.05145	29.8
585.12982	1.8
597.14331	5.6
601.24561	1.6
633.21802	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3795
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.09297	0.2
71.05036	0.4
72.01900	0.3
99.80798	0.2
100.85537	0.2
117.03458	26.2
119.05016	15.8
121.02937	2.2
123.04532	1.0
133.02994	0.4
145.02951	100.0
146.03305	1.0
147.04523	0.3
162.03246	0.4
163.03990	3.7
167.45856	0.2
193.95213	0.2
455.66714	0.2
469.33151	1.4
487.34348	0.3
497.95212	0.2
513.31683	0.8
571.37372	0.4
589.38922	1.8
615.37347	0.3
633.38007	59.0
634.38635	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	633.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59586	0.2
50.81162	0.2
59.01381	0.4
71.01396	0.9
73.73685	0.2
73.88529	0.2
78.95900	0.3
79.95746	1.7
85.02972	1.0
87.00877	0.5
89.02462	0.2
93.03452	0.9
96.96002	100.0
98.95587	1.1
103.25962	0.2
108.02177	0.4
113.02446	0.2
119.05032	0.2
133.02910	0.2
135.04483	0.9
144.01317	0.2
152.01076	0.2
161.02443	0.9
163.03999	0.3
173.04506	0.4
181.05125	0.3
191.05605	21.6
192.05972	0.3
261.00851	1.5
261.03308	0.2
262.47595	0.2
304.38834	0.2
309.11896	0.3
353.08777	3.9
371.09659	0.5
469.54572	0.2
535.16602	2.3
552.78760	0.2
594.20081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.364
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
54.81644	0.2
71.05028	0.8
79.74104	0.2
83.05032	2.3
115.04595	0.2
117.03446	28.3
118.04301	0.2
119.05006	15.9
121.02921	1.7
123.04524	0.7
133.02902	0.3
137.09804	0.2
145.02942	100.0
146.03278	0.9
162.03247	0.5
163.03986	1.2
467.31729	0.2
470.15564	0.2
503.31445	0.4
587.37555	3.2
631.36420	47.9
632.36627	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	631.3637
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.01879	0.2
71.05031	0.9
83.05020	1.9
83.48464	0.1
85.48454	0.2
97.06586	0.2
101.78783	0.1
104.19600	0.1
117.03451	26.1
119.05012	16.1
121.02954	2.3
123.04496	0.3
133.02954	0.2
134.03766	0.2
145.02948	100.0
146.03244	1.1
147.04512	0.3
162.03223	0.7
162.92500	0.2
163.04015	1.0
262.72070	0.1
328.86417	0.2
359.24014	0.2
464.62363	0.2
467.31693	0.3
503.31778	0.2
569.36090	0.3
587.37415	3.8
631.36420	51.5
632.36694	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02477	0.2
57.03445	18.8
57.68644	0.3
59.01371	1.3
61.98822	0.6
64.18349	0.2
67.12879	0.2
70.95314	0.3
71.01383	0.4
78.95875	0.3
80.47066	0.3
81.03451	0.3
83.01375	0.6
85.02950	0.4
87.00853	0.3
88.98714	0.3
91.93719	0.3
93.03457	1.0
96.95972	2.3
99.46401	0.3
105.82780	0.3
107.01379	0.5
109.02954	1.6
119.07674	0.4
123.04480	0.5
125.02422	100.0
126.02790	0.6
133.02933	31.4
135.04501	4.2
137.02406	0.6
149.99918	0.3
151.00354	3.3
173.04463	0.4
175.04025	0.4
177.01907	10.1
191.05580	3.9
192.06052	0.3
193.01375	0.6
201.05527	0.3
202.99907	2.8
217.04948	0.4
227.03513	0.3
241.05000	0.5
255.03040	0.3
285.04092	1.1
287.05499	0.3
297.03918	1.3
301.06647	0.3
303.05066	1.4
313.18903	0.3
338.27039	0.3
339.05002	1.2
347.47305	0.3
348.42419	0.3
433.09259	2.2
455.17581	0.3
505.17154	9.5
595.14368	0.4
613.18774	1.0
631.20239	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	631.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99112	0.9
57.03442	9.7
59.01369	2.2
61.98847	1.1
63.36168	0.8
65.00325	5.0
67.01885	1.1
71.01378	1.3
73.76683	1.0
83.01376	6.0
87.00858	2.5
92.10806	2.0
93.03439	13.3
95.01342	1.3
96.95996	9.1
101.02453	1.2
107.01359	5.2
108.15114	1.1
109.02940	6.2
111.46429	1.0
116.92834	1.2
119.04989	0.9
121.02952	2.4
123.04501	4.2
124.01637	5.6
125.02422	100.0
133.02943	1.3
134.03696	1.3
135.04498	5.6
137.02420	5.1
139.03960	1.4
147.04456	1.9
149.02422	5.5
150.03189	4.6
151.00351	18.1
151.03984	8.3
152.01129	7.8
153.01920	13.4
161.02409	1.6
161.05978	1.1
165.01955	1.0
169.01379	1.2
173.04498	2.0
174.03180	6.8
175.03970	22.6
177.01932	24.4
178.99869	14.6
181.01402	1.1
181.15717	1.1
188.04794	1.0
189.05467	5.8
191.03687	1.7
191.05576	16.2
199.03931	13.0
201.01904	5.9
213.05467	1.3
215.03438	1.5
216.04161	1.3
217.05096	13.9
231.06641	1.4
241.04994	12.9
243.02930	4.0
257.04480	2.5
259.06012	5.8
275.05585	6.7
285.04047	63.4
293.13104	1.0
303.05127	30.8
415.49881	1.3
449.14496	6.4
631.20374	50.3
631.30157	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	631.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06661	0.6
57.03439	13.6
59.01373	3.6
63.02369	0.7
65.00323	1.5
65.00715	0.6
67.01878	1.3
69.03447	0.8
71.01366	1.1
81.03448	0.9
82.95411	1.7
83.01383	6.2
85.02961	1.1
87.00871	1.7
87.03883	0.7
88.98816	0.8
93.03439	12.3
95.01341	0.7
96.96006	4.9
105.03456	0.9
107.01361	4.4
109.02938	5.4
111.04508	1.4
116.92794	0.8
121.02916	2.8
122.06070	1.3
123.04494	7.3
124.01638	5.2
125.02421	100.0
134.03743	1.5
135.04492	3.9
137.02457	5.4
139.03986	0.9
147.04489	1.3
149.02423	7.4
150.03165	2.8
151.00369	17.4
151.03976	8.2
151.80653	0.7
152.01140	10.2
153.01942	13.3
159.47057	0.7
161.02386	3.3
162.03217	1.0
163.00356	0.9
163.03960	0.9
169.01578	0.9
171.04523	1.5
173.04506	5.6
173.05945	1.5
173.10045	0.7
174.03189	4.7
175.02585	1.0
175.03995	22.4
177.01930	22.5
178.99854	16.1
181.01387	3.1
188.04739	1.5
189.05652	6.6
191.03607	1.4
191.05556	7.7
193.05038	1.4
199.04008	12.3
201.01918	3.3
208.35219	0.7
213.05524	4.4
215.03526	0.8
216.04214	3.2
217.05043	15.3
231.06587	1.3
241.05061	10.9
242.02106	1.0
243.02908	1.6
251.11720	0.9
257.04477	3.2
259.06082	6.3
275.05621	5.3
285.04028	65.7
303.05081	30.4
394.02048	0.8
449.14389	8.2
465.10590	1.3
522.94873	0.9
539.43201	0.9
594.48065	0.8
599.25073	0.9
613.18964	1.3
631.20227	52.6
647.04688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3374
Annotation	Jasplakinolide Q
Peak:m/z	Relative Intensity
53.61983	1.6
56.00131	2.2
59.01375	7.9
59.90504	1.6
78.95902	3.5
121.72903	1.9
138.98012	2.6
181.32504	2.1
327.52155	2.4
470.56680	2.3
471.34708	19.5
518.60724	2.3
629.33728	100.0
630.34674	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	629.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53576	0.7
59.01378	16.1
59.89571	0.7
61.98840	0.8
71.01395	1.0
72.75117	0.7
74.68961	0.7
76.55493	0.8
80.05044	0.9
81.02493	0.8
84.04529	0.9
85.02967	1.1
96.95998	3.8
106.06602	1.4
110.06092	5.3
120.04574	1.7
120.08134	1.7
121.05289	1.9
122.06103	23.6
124.07663	1.1
134.06125	8.9
135.04584	1.1
138.05588	1.5
144.04565	1.0
150.13545	0.8
151.05756	0.8
159.05695	0.9
160.06421	10.9
160.36031	0.7
162.54880	0.8
174.05493	0.9
191.05582	4.1
197.07126	0.9
201.10295	0.9
203.05904	1.4
203.11887	3.1
211.13368	1.4
213.10341	44.0
215.11859	1.4
225.10297	4.4
226.11069	5.0
233.12837	1.8
239.11876	15.1
241.09712	0.9
241.13467	26.2
251.11856	1.4
253.09685	0.8
267.11411	1.1
277.09671	1.3
281.09213	1.0
283.10770	3.8
285.12436	100.0
293.12827	5.7
300.14859	1.0
301.11902	4.7
311.10382	5.5
312.11108	1.4
328.10898	1.4
342.12317	4.0
342.16211	1.5
343.13184	6.5
356.13852	7.9
357.14670	1.8
370.15506	5.2
371.16251	0.8
372.17197	1.2
384.13425	1.4
389.13702	0.9
396.78268	1.0
398.15012	4.7
403.15158	1.7
412.16629	1.5
413.17535	1.8
473.33246	0.9
483.20364	1.5
485.25787	1.2
493.22690	1.8
496.21106	1.6
497.22049	3.1
511.23425	13.8
535.23199	1.5
553.24591	50.2
554.24506	1.6
556.23199	4.8
597.23596	41.7
598.24188	1.6
629.26440	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	629.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94905	0.7
59.01376	24.2
61.98842	3.8
70.76798	0.7
71.01379	1.3
81.23339	0.9
81.64343	0.9
85.02960	2.2
88.98742	0.8
92.10857	1.6
93.03442	1.4
95.05027	0.9
96.04589	0.8
96.61787	0.9
96.95992	6.8
101.02464	1.0
106.06635	1.0
110.06110	9.8
120.04571	1.5
120.08169	3.8
121.02940	2.1
121.05348	3.8
122.06099	29.4
130.06621	1.7
132.04558	0.9
134.06082	11.2
144.04552	2.1
147.80757	0.8
149.06119	0.9
151.00269	1.0
160.04056	1.1
160.06367	9.9
161.04781	1.9
162.05557	1.2
164.09882	0.9
173.04686	1.3
174.05614	9.6
175.04015	1.8
176.57170	0.9
187.06389	0.8
188.03563	0.8
189.01884	1.2
191.05562	11.3
197.07329	1.0
198.12895	1.5
203.05896	4.6
203.11897	0.9
213.10335	61.8
214.10457	1.0
214.12328	1.2
223.08832	1.1
225.10349	4.7
226.10988	6.8
235.08659	1.3
236.09695	1.2
239.11859	22.6
241.13419	25.8
249.10371	1.5
251.11821	5.1
267.11426	1.2
281.09027	1.2
283.10919	4.3
285.12424	100.0
286.12796	1.1
291.11331	1.4
293.12921	8.7
301.11841	3.4
314.13196	0.9
328.10986	3.7
328.14584	1.2
329.15735	1.3
330.16202	1.8
342.12527	2.1
342.16217	1.1
343.13248	6.8
344.13910	1.8
344.17862	3.5
345.18066	1.1
354.12369	1.8
354.16180	5.3
356.14026	15.6
358.15381	1.0
363.26883	0.9
368.17789	1.9
369.14539	1.4
370.15604	20.4
371.16385	2.0
372.17352	7.3
382.11896	1.9
384.13406	3.5
396.13626	1.2
398.15146	16.9
403.15283	8.9
412.16544	10.9
413.17377	8.9
457.16629	1.1
485.25876	1.3
493.22418	5.3
499.21271	1.1
511.23450	9.8
523.23529	4.3
535.23651	19.6
553.15973	1.8
553.24573	49.7
556.23773	1.8
579.22681	10.9
597.23535	60.9
611.25214	3.8
629.26331	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	73.8
60.99314	3.0
62.97544	0.5
65.23451	0.6
67.01903	1.1
69.56182	0.6
70.91497	0.7
71.01392	3.1
79.95733	1.4
85.02953	7.4
87.00885	3.6
88.98806	13.1
93.03452	11.0
93.46336	0.6
96.95998	100.0
109.02946	7.3
111.04530	1.3
115.00381	0.7
119.04946	0.8
121.02950	3.5
122.03718	3.2
127.04012	0.9
133.02899	1.1
135.04486	1.4
136.06297	0.6
137.02441	1.0
145.02974	1.1
147.04546	3.2
149.02429	40.3
149.03645	1.4
149.06058	1.4
150.03212	36.3
157.02905	1.3
159.04500	3.6
161.02440	1.4
162.06802	0.6
163.04027	1.2
164.04764	12.9
165.05548	44.4
173.04532	3.4
173.06021	1.0
174.03186	0.9
175.03979	1.3
175.07588	0.7
178.02721	0.7
179.74336	0.7
180.04277	3.1
181.05072	3.5
185.02460	1.3
186.91270	0.7
187.03888	0.8
191.05603	50.8
192.05940	0.9
193.08681	2.8
195.06619	22.5
196.07434	4.2
197.08247	1.3
203.07135	0.9
211.09764	3.6
213.09366	0.7
217.08739	1.0
229.01399	11.8
249.05678	2.4
250.06238	0.7
267.06583	6.6
269.08096	0.9
277.05157	4.3
293.04550	2.6
295.06091	10.8
295.09406	1.3
339.05081	25.3
340.05319	0.8
344.12671	11.0
352.07666	0.8
352.58273	0.7
359.14987	53.7
360.15317	1.0
389.16058	1.1
393.13876	0.8
407.17090	33.7
513.10144	0.8
531.11353	21.8
629.18933	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	629.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98827	1.7
67.01884	1.9
71.01376	2.8
85.02106	1.1
85.02959	14.0
87.00866	5.0
88.98793	2.6
90.65089	1.2
92.10883	4.0
93.03426	18.8
95.01388	6.9
96.95977	12.4
97.02933	1.4
97.59322	1.2
107.05000	1.3
109.02955	9.3
111.00883	3.1
111.04515	2.0
113.02461	1.5
113.93655	1.1
116.92882	2.1
119.05045	2.4
120.99651	5.1
121.02878	9.6
122.03733	7.4
123.00880	7.5
123.04491	2.0
124.01648	4.3
125.02443	4.5
127.04006	2.9
133.02904	2.9
134.03780	2.0
135.04515	26.2
136.01634	1.9
136.98885	1.3
137.02400	8.6
138.03215	2.8
139.00357	6.8
139.03976	5.3
145.02930	4.8
146.03725	2.0
147.04454	12.0
149.02454	21.7
149.06041	1.7
150.03212	78.4
151.00336	21.4
151.04018	5.3
153.01901	5.1
153.05635	2.4
155.03574	1.2
159.04509	4.8
161.02423	9.1
161.06099	1.8
162.03217	5.6
163.04028	6.3
165.01909	5.5
165.05545	57.3
166.02715	43.8
173.02264	1.2
173.04597	6.1
174.03246	4.6
175.04013	8.9
176.01309	1.5
177.01939	8.1
177.05568	2.7
178.02718	6.1
179.03484	8.6
180.04266	8.2
181.05052	51.6
181.06592	1.9
187.03989	2.2
189.01962	2.2
190.02737	4.5
191.03595	16.7
191.05600	100.0
192.04329	10.9
192.05873	2.3
193.05048	6.5
195.06638	12.2
203.03506	36.7
204.04306	2.8
205.05101	8.3
207.06543	9.7
217.05064	2.3
218.02267	5.1
218.05832	29.1
219.03018	10.2
219.06577	2.7
221.04552	9.7
223.06081	2.4
233.08189	22.5
235.06129	4.8
236.06871	22.8
242.05754	2.0
251.09251	43.8
268.07529	1.7
269.08286	5.9
285.04095	2.8
295.06387	1.7
296.07043	2.5
315.09003	1.3
352.07947	5.0
353.08929	5.3
358.10452	4.5
373.13086	7.8
381.99802	1.5
403.09778	1.7
416.10803	1.7
431.13770	5.9
432.14227	2.5
433.15125	16.8
437.12692	2.7
455.13412	6.0
532.12390	1.9
581.20679	10.7
594.71637	1.5
611.18414	1.5
629.22534	82.1
630.22577	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	629.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09382	0.7
59.01390	4.7
67.01904	3.5
71.01391	4.7
81.03453	1.0
83.05035	1.3
85.02942	14.7
87.00867	6.6
92.10868	2.0
93.03453	30.2
96.95996	6.2
99.00922	1.0
106.33459	0.9
109.02952	8.2
111.04527	4.9
119.05054	2.2
121.02935	0.9
122.03715	1.1
122.06104	0.9
123.04484	1.5
125.02409	1.0
127.03958	1.3
127.89348	1.0
133.02950	1.3
135.04512	11.5
137.02440	25.7
142.18262	0.8
145.02936	10.2
146.03723	7.0
147.04532	17.3
149.02443	1.4
149.06084	4.7
150.03204	3.5
151.00351	1.4
151.03996	1.1
153.01924	1.4
159.04515	0.9
161.02467	4.7
161.06096	1.4
165.01904	2.1
165.05573	1.1
167.07146	1.8
173.04572	6.7
174.03217	5.8
175.02545	1.5
175.03963	16.8
175.07594	1.3
179.03465	5.9
187.04056	1.9
191.05606	100.0
195.06602	1.5
219.02974	66.5
226.11224	1.3
242.05791	1.2
269.08212	1.8
285.03879	2.0
285.12427	2.2
295.06052	1.8
296.07007	3.3
297.03882	0.9
352.07907	1.6
353.08942	4.2
361.20935	1.0
367.15475	1.2
403.14447	1.0
416.27536	1.0
437.12390	11.8
455.13354	1.8
585.19580	2.0
629.18402	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	629.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81474	0.4
57.03450	0.5
58.99604	0.3
59.01373	3.0
59.30232	0.3
59.45583	0.4
60.99301	0.6
67.01878	2.4
69.03445	0.4
71.01369	3.0
73.02927	0.5
76.11922	0.3
78.77149	0.3
81.03447	0.5
83.05047	0.6
85.02936	9.8
87.00862	5.0
88.98792	0.4
89.02436	0.6
90.45025	0.3
93.03436	16.5
96.95988	0.8
108.02180	0.5
109.02935	7.0
111.04479	3.2
113.02471	0.5
119.05021	2.8
121.02901	0.5
122.03708	0.4
123.04524	2.0
125.02435	0.6
127.03993	2.7
130.04155	0.4
131.05000	1.3
133.02959	0.8
134.03726	0.4
135.04494	1.9
137.02414	3.8
137.06044	0.3
145.02948	14.3
146.03712	8.6
147.04509	21.3
148.05270	1.5
149.02417	0.6
149.06081	3.9
151.03961	0.5
155.03532	0.4
157.02916	1.6
157.04425	0.4
158.03728	1.4
159.04504	1.5
161.02371	2.5
161.06059	0.8
166.06960	0.3
171.02951	0.6
173.04549	2.1
173.05991	0.6
174.03203	5.2
174.06889	0.5
175.03983	24.4
175.07579	1.6
177.01886	1.5
184.89719	0.4
187.04013	4.8
187.07507	0.5
188.55272	0.4
189.01926	0.7
189.05522	1.4
189.09218	0.5
191.05600	56.6
192.05956	0.7
199.07651	0.5
201.01918	0.4
201.05573	0.5
201.09064	0.5
203.07135	1.8
204.07875	0.8
213.09384	0.4
217.01503	0.7
217.08580	0.4
218.02145	0.5
219.02971	100.0
220.03357	1.4
222.58142	0.4
225.09009	0.5
227.10753	0.4
233.23204	0.3
257.11911	0.5
268.07529	0.4
269.07986	0.8
274.00912	0.4
295.06128	0.6
296.06830	4.7
327.08643	0.6
341.06577	1.9
349.14343	1.3
367.15521	2.2
384.36258	0.4
393.06146	2.2
393.13678	0.7
411.14410	0.8
437.12430	17.3
451.10492	0.6
455.13608	0.5
503.09692	1.4
585.19470	1.9
604.96881	0.4
629.18842	25.1
630.19427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1875
Annotation	Eucalmaidin D
Peak:m/z	Relative Intensity
53.56891	0.5
54.81770	0.5
59.01378	4.5
61.98834	2.7
63.02394	4.7
64.44727	0.5
65.00317	7.6
72.08806	0.6
83.01386	6.2
88.98792	0.7
92.10241	0.6
93.03463	2.9
95.01358	0.5
96.96008	4.3
102.11191	0.6
107.01387	19.8
109.02928	0.9
119.05032	0.8
121.02935	21.2
124.01624	0.7
125.02440	1.5
133.02899	2.6
134.03720	1.2
135.04498	3.0
139.03967	0.7
146.03729	1.0
148.01584	0.8
149.02419	3.0
149.06064	1.2
151.00354	68.3
152.01027	0.6
160.01591	1.1
161.02455	1.1
163.00299	0.9
164.01155	1.6
169.01416	3.6
175.03929	2.9
178.99846	23.6
179.07080	1.0
179.26776	0.7
191.05588	6.7
193.01346	1.0
227.03410	1.0
229.05099	0.9
237.51878	0.7
241.04994	2.6
243.02965	1.3
255.02887	1.3
257.04633	1.0
257.08026	0.8
257.12778	0.7
260.18234	0.6
271.02438	1.3
271.09668	1.5
273.04120	1.1
276.63177	0.6
283.02405	0.8
285.04041	16.4
300.02780	19.6
301.03546	100.0
302.04074	1.3
475.13242	0.8
479.65262	0.8
629.18665	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	629.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.5
60.99308	0.8
63.41452	0.7
65.00328	0.7
67.01900	0.7
71.01379	14.4
74.59419	0.6
80.04453	0.6
80.36202	0.7
83.01390	1.8
85.02504	1.0
85.02947	8.0
87.00883	1.2
88.98784	5.0
89.02430	15.2
93.03432	7.8
93.28121	0.9
96.96010	7.1
101.02424	6.4
107.01411	3.5
108.02182	1.3
109.02965	3.4
113.02435	3.0
119.03495	6.1
121.02954	1.2
123.04530	0.9
125.02430	3.6
133.02963	1.2
135.00871	1.0
135.04501	13.4
137.02428	1.3
139.03970	5.3
143.05081	1.1
149.06068	3.3
150.03226	4.0
151.00365	8.4
151.04022	1.1
159.04445	0.9
161.02451	2.7
161.04611	1.3
163.00363	3.7
165.05559	3.6
171.04520	0.8
173.04501	1.2
175.04007	1.0
177.01926	1.1
178.99779	0.7
179.03491	1.0
179.05673	6.0
185.06068	2.9
187.04007	3.9
189.05533	1.4
191.05605	30.3
195.06602	1.5
197.08116	0.8
199.03964	1.0
211.04019	3.1
213.05545	1.1
218.52232	0.8
227.03482	39.0
229.05057	15.3
239.03635	1.2
241.05016	1.7
255.02966	68.0
256.03641	5.7
257.04523	8.0
267.02911	1.2
284.03247	80.3
285.04022	100.0
286.04425	2.8
287.05426	0.8
299.05753	0.8
300.02603	0.9
327.05011	1.7
380.04761	0.7
393.14960	0.7
467.19748	0.9
561.91870	0.8
593.15161	90.0
594.15576	1.2
629.18646	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	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59917	0.6
53.59611	0.6
55.48954	0.6
55.80658	0.6
58.38411	0.7
59.01375	28.5
65.03965	3.1
67.01906	0.8
69.37572	0.6
71.01384	1.0
85.02963	2.9
87.00860	1.1
88.98797	3.3
91.01877	24.7
91.02451	0.9
93.03432	6.3
96.95999	3.8
107.05042	1.1
108.02167	1.3
109.02937	29.0
111.04517	1.1
113.02455	1.0
121.02932	1.4
123.04455	0.8
125.02414	1.4
127.07620	0.9
133.02956	10.6
135.00865	100.0
135.04471	1.5
137.02434	4.4
149.02359	1.3
151.03944	0.8
151.96130	0.8
153.01924	75.7
154.02290	0.9
161.02310	0.8
163.03981	0.9
165.01860	1.1
173.04526	3.4
175.04018	3.5
177.01875	5.7
180.04251	1.4
182.81462	0.7
189.02003	0.8
189.07632	0.7
191.05608	26.5
192.05933	1.0
195.06624	0.9
201.07558	0.8
243.06625	9.5
297.06149	35.3
351.07285	4.0
354.57327	0.7
397.37704	0.8
405.11917	42.8
448.36923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81595	0.2
59.01380	1.5
61.23792	0.1
63.92595	0.2
71.01379	1.8
75.33207	0.2
75.83209	0.2
78.95896	0.2
79.95721	1.7
83.65559	0.1
85.02941	1.0
86.99089	0.2
87.00865	3.0
93.03431	0.3
94.10229	0.2
96.95993	100.0
98.95600	0.3
105.46440	0.2
114.99577	0.3
115.00353	6.7
175.02461	13.3
175.03996	0.4
177.92207	0.2
179.03555	0.2
182.64345	0.2
189.05429	0.8
191.05614	10.5
203.01990	0.3
302.04633	0.2
304.28430	0.2
337.05753	1.9
353.08847	2.1
526.01544	0.2
529.12000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04586	0.9
57.03446	1.5
59.01375	2.1
66.21871	1.1
76.31162	1.3
81.03442	17.7
83.01393	1.4
84.46225	1.3
85.02936	1.9
86.20474	1.0
87.00883	2.2
87.96422	1.2
93.03436	2.3
95.05007	10.6
96.95992	2.4
97.02953	4.7
99.04491	17.6
109.02927	2.2
123.04505	8.9
125.02425	39.2
125.06005	1.6
133.02946	24.7
135.04489	1.6
137.02403	6.8
139.03990	4.9
142.69753	1.3
165.01837	2.0
167.03473	100.0
177.01918	6.5
179.03485	1.8
191.05605	24.2
197.04544	14.9
223.08090	1.1
229.01311	1.5
235.02425	2.1
287.07620	6.5
327.05399	1.7
507.11389	20.2
537.12579	2.0
627.16168	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	625.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36197	2.7
56.59068	2.9
59.01372	7.3
61.60804	3.6
61.98833	23.0
63.50248	2.8
67.43961	3.6
68.69266	3.0
71.05013	4.7
76.17889	3.2
77.15602	2.9
81.20611	2.8
97.06578	3.8
101.45930	3.4
116.92864	13.9
125.84256	3.9
191.05574	17.1
203.16640	3.2
247.34746	3.5
341.55994	3.8
353.79404	3.4
386.67535	3.6
419.29568	7.1
439.31604	3.7
465.30139	33.7
483.31177	45.8
543.33203	68.3
565.31433	8.0
625.33716	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	626.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23618	1.9
51.86958	1.7
59.01377	33.6
61.98840	4.0
64.95154	1.7
71.01363	15.9
73.37907	1.8
81.69527	1.9
85.02944	4.8
85.65102	1.8
89.02434	19.6
91.91393	2.2
101.02444	9.9
110.66413	2.1
113.02454	3.8
116.92826	23.9
117.92867	4.2
119.03491	9.5
162.36983	2.0
179.05487	2.5
191.05618	18.4
225.22237	4.5
345.43887	2.2
410.32745	9.8
428.33698	3.9
544.28845	2.9
590.39124	100.0
590.48492	3.2
626.26587	3.4
626.36951	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31187	0.3
52.33721	0.3
55.01885	1.6
57.03452	1.9
59.01383	32.8
67.01875	0.4
67.55632	0.3
69.03469	1.9
71.01375	19.9
72.99309	1.5
73.02942	4.3
73.51108	0.3
74.52612	0.4
81.03465	0.8
83.01395	2.7
85.02936	6.7
87.00865	3.5
88.98804	1.9
89.02429	18.8
92.10804	0.9
93.03476	1.7
95.01376	0.6
96.96014	1.4
97.02929	2.2
97.06550	0.6
99.00865	1.5
99.04496	0.5
101.02427	16.6
103.00381	0.7
109.02946	0.8
111.04494	0.5
111.08103	0.6
113.02436	7.3
119.03481	3.8
121.02856	0.5
123.04505	0.6
125.02404	5.6
127.04008	0.6
133.02924	0.4
134.03712	1.5
135.04497	1.8
139.03983	0.3
143.03453	2.1
149.06039	0.9
150.39160	0.4
151.04070	0.4
160.55333	0.4
161.02469	0.6
161.04536	2.0
165.05643	0.6
165.12830	11.4
167.03499	0.9
173.04590	0.5
174.26408	0.4
177.01871	0.7
179.05540	0.6
183.13879	100.0
184.14101	0.5
191.05605	11.0
209.11743	0.6
210.06213	0.4
221.06628	2.3
227.12907	8.9
235.08211	1.6
254.75699	0.4
281.04492	0.9
397.13470	3.2
403.13638	0.4
415.14581	2.5
449.08914	1.8
625.27136	89.0
626.27368	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83538	0.5
55.01882	0.6
57.03460	2.8
58.00594	1.2
59.01381	100.0
61.98842	1.2
71.01376	27.1
72.99304	4.9
73.02943	4.3
75.00907	0.6
75.93031	0.7
83.01389	1.3
85.02946	14.9
87.00863	1.6
88.98783	1.6
89.02432	28.9
89.02967	1.2
92.10855	1.3
93.03445	1.4
95.01379	1.4
99.04483	0.6
101.02422	16.5
103.03982	4.6
104.12762	0.7
109.02911	1.3
110.31931	0.7
113.02410	7.2
119.03485	5.6
125.02440	0.9
131.03423	0.6
135.04510	1.3
161.02422	1.0
165.05548	1.4
165.12814	3.2
177.01839	1.0
183.13794	0.7
191.05597	17.1
191.07147	0.9
192.06009	0.9
219.17517	20.0
237.18562	36.9
270.53177	0.7
281.17590	27.2
299.18808	1.3
353.02902	0.9
356.58496	0.7
400.99066	0.7
403.19617	1.0
445.24442	34.9
449.08810	0.9
461.23962	11.0
555.56512	0.9
579.30176	1.5
625.30743	71.0
626.31195	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	625.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80022	0.2
57.03447	1.9
59.01376	1.4
61.98816	0.4
63.02394	1.6
63.61387	0.2
65.00317	15.5
71.01383	0.9
81.03455	0.4
82.11222	0.2
83.01375	6.8
85.02954	0.6
93.03444	0.9
96.95992	0.4
107.01377	27.7
108.99326	0.3
109.02944	2.3
113.02440	0.3
113.52823	0.2
115.37967	0.2
117.03456	0.4
121.02929	0.9
123.04592	0.2
125.02417	10.2
132.02136	1.9
133.02936	3.8
134.03731	9.5
135.04504	100.0
136.04852	0.5
137.02400	0.3
145.02820	0.2
149.06064	1.0
151.00352	98.2
152.00728	1.1
157.19060	0.3
159.04497	4.0
160.00298	0.4
160.01637	12.2
161.02426	14.2
164.01065	0.2
165.01970	0.9
165.05582	0.3
169.01395	1.9
174.03198	0.3
175.03983	20.0
177.01915	1.6
178.02696	0.3
179.03445	1.1
191.05612	2.8
193.05051	5.4
196.00023	0.4
199.07689	0.2
201.02025	0.2
201.05533	1.5
209.04567	0.3
217.04997	0.3
218.40916	0.2
243.06577	6.9
269.04614	0.3
275.23889	0.2
285.04062	5.6
286.04330	4.4
287.05603	30.6
288.06073	0.4
291.45142	0.2
297.09708	0.4
315.65942	0.2
323.07639	0.4
337.09277	10.2
356.50378	0.2
431.09760	0.9
449.10916	5.5
450.10980	0.3
473.14456	3.0
499.12436	5.6
502.44052	0.2
581.16876	0.4
625.15637	25.6
626.16260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05637	0.7
57.03450	1.7
59.01371	8.6
59.01625	0.6
61.72964	0.7
61.98839	1.5
63.02398	0.8
65.00320	16.0
70.83297	0.7
71.01376	3.7
72.76598	0.7
73.02962	1.3
73.82639	0.7
78.95919	1.4
83.01372	7.3
85.02947	1.5
87.00863	1.4
89.02450	1.1
92.10802	1.0
93.03455	4.7
96.96072	1.0
99.92587	5.9
101.03651	0.8
101.44784	0.8
105.03522	0.9
107.01383	28.9
109.02987	3.7
113.02534	0.9
116.92849	69.4
117.01940	1.5
117.03423	1.1
120.99625	6.4
122.99184	1.0
125.02455	11.6
132.02190	1.1
133.02942	5.8
134.03758	9.1
135.04510	100.0
136.04886	1.2
137.02483	1.0
149.06070	1.1
151.00359	99.1
159.04486	4.1
160.01680	14.8
161.02455	15.8
165.01900	1.1
169.01440	1.3
173.04532	1.3
175.03969	19.9
177.01897	4.2
179.03419	1.5
185.69571	0.8
186.86893	1.0
189.01784	1.1
191.05640	16.4
193.05032	4.5
209.11772	2.1
243.06552	4.4
287.05588	31.2
337.09241	11.1
372.33762	1.0
427.23474	1.4
444.05319	0.9
449.10855	5.3
473.14447	2.1
499.12494	4.9
511.33875	1.0
553.55365	0.8
589.26587	1.2
607.29010	0.9
625.15472	23.5
643.62146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
59.01384	1.4
60.70254	0.2
63.02402	0.5
65.00308	2.3
71.01393	1.0
76.29456	0.2
81.03454	0.4
82.97558	0.2
83.00961	0.3
83.01361	1.9
85.02939	1.7
87.00881	1.1
89.02439	0.2
93.03439	1.5
96.96021	1.0
98.95625	0.2
107.01375	6.2
108.02168	2.2
109.02971	0.9
111.00879	0.6
113.02447	1.3
117.01900	0.2
121.02944	2.1
121.61564	0.2
123.04526	1.9
125.02449	1.4
135.00894	0.4
135.04504	14.1
136.01631	0.3
148.01642	2.0
149.02446	0.3
151.00359	25.6
152.01147	0.3
153.01886	0.4
161.02411	0.8
163.00351	1.7
164.01151	1.3
167.03481	4.5
167.89244	0.2
169.01364	0.5
173.02428	0.3
175.02548	0.4
177.01913	0.2
178.99846	5.1
179.07004	0.3
183.04572	0.4
187.04045	0.3
191.03571	1.0
191.05617	5.0
192.05995	0.5
193.01408	0.3
198.03249	0.3
199.04016	1.3
201.02002	0.5
203.03540	0.4
209.04575	0.4
211.04030	0.5
215.03462	1.2
216.04240	0.2
226.02716	1.5
227.03503	3.0
243.02968	11.9
245.04512	0.5
254.02261	2.4
255.02977	27.5
256.03470	0.4
271.02463	65.8
272.03046	2.2
273.04092	0.4
287.05582	4.7
299.02023	2.6
300.02744	100.0
301.03452	15.2
329.08850	1.0
420.17169	0.3
445.07770	0.4
449.10861	3.1
452.14590	0.2
461.04462	0.2
463.08829	4.8
625.14081	45.1
626.14691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03452	14.8
57.11668	0.5
59.01378	10.4
59.45752	0.5
60.20445	0.5
65.00320	1.1
71.01378	6.2
75.00861	2.7
81.03442	9.2
83.01379	14.2
83.01850	0.9
83.28229	0.5
85.02940	14.3
87.00883	1.5
88.33101	0.6
89.02445	2.7
91.96732	0.6
95.01376	3.5
99.00857	4.5
101.02409	0.7
102.35505	0.5
103.00344	1.0
107.01369	3.6
109.02933	9.4
113.02429	10.8
117.01929	1.2
123.04503	35.2
125.02419	100.0
129.01831	1.2
135.04521	1.1
145.02953	3.5
146.03821	0.8
151.00360	10.1
159.04420	0.8
161.02434	1.0
161.06085	1.4
167.03479	73.1
169.45708	0.6
175.02429	3.5
183.13849	3.7
187.03987	1.2
191.05566	4.4
196.72963	0.7
209.05972	1.3
211.03960	1.2
212.30042	0.6
225.05467	0.7
237.05562	13.0
239.03482	44.5
240.03972	1.1
253.05045	16.7
279.02814	1.0
279.06458	0.7
280.03851	1.5
281.04517	76.7
282.04941	1.0
285.03983	3.6
297.07614	1.3
305.04608	1.4
323.05551	4.8
363.08411	0.8
368.30524	0.7
449.08759	87.9
450.09415	2.5
463.21854	2.7
622.92865	0.7
625.11926	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45418	0.4
52.28600	0.4
55.01881	0.7
57.03447	3.6
59.01376	13.8
60.92580	0.4
65.00317	7.7
67.01888	1.1
71.01369	9.6
72.99313	0.6
73.02942	1.0
75.00859	4.2
82.89986	0.5
83.01371	5.2
83.05009	0.5
85.02939	20.5
87.00885	3.5
89.02448	2.1
93.03439	6.6
95.01376	4.7
96.95988	2.3
99.00867	6.0
100.62158	0.5
101.02442	0.8
103.00349	2.1
107.01381	18.3
109.02928	3.4
111.00879	1.1
111.04536	0.8
113.02431	18.2
113.03175	0.9
113.28757	0.5
115.00362	1.1
117.01949	2.2
121.02957	0.6
125.02420	6.3
127.03995	0.8
129.01923	2.3
133.02933	1.8
134.03711	2.1
135.04504	85.0
137.02437	2.1
139.03976	0.5
151.00354	100.0
159.04507	0.7
161.02415	7.5
165.01874	0.7
169.01401	2.3
173.04543	1.0
173.07358	0.5
175.02472	6.4
177.01906	0.8
177.04045	0.9
179.03477	13.9
191.05609	27.6
192.06001	0.7
203.56583	0.5
269.04660	0.7
287.05597	39.8
289.07199	1.0
335.07742	9.5
353.08792	0.6
365.18115	0.8
407.19153	0.7
449.10889	21.7
463.08780	4.4
625.14081	22.4
625.23145	1.6
626.14404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
55.41324	0.3
56.86020	0.4
57.03445	17.6
59.01377	6.9
65.00317	1.7
67.00136	0.4
67.01908	0.6
71.01380	4.2
71.44936	0.5
72.99316	0.4
73.37555	0.4
75.00875	1.7
81.03446	6.4
83.01370	12.5
85.02939	10.8
85.03413	0.6
87.00865	2.0
88.98800	0.8
89.02444	1.9
93.03494	0.6
95.01375	2.7
95.05027	0.9
99.00864	4.5
103.00341	0.7
107.01385	3.1
109.02923	4.9
113.02435	12.3
115.00374	0.5
117.01927	0.9
117.03361	0.4
123.04504	34.9
125.02424	100.0
126.02776	0.6
129.01915	0.7
135.04520	0.8
145.02951	2.1
151.00363	6.0
159.04512	0.4
161.02373	1.7
161.06064	0.9
161.13370	0.5
166.34715	0.4
167.03477	62.5
175.02457	3.9
187.03981	1.0
191.05618	5.5
202.20900	0.4
209.06058	1.0
211.04002	2.0
225.05539	1.0
236.04756	0.5
237.05557	13.4
239.03494	47.9
240.04018	1.8
253.05026	13.0
263.03323	0.7
268.57428	0.4
277.05084	0.5
280.03815	0.8
281.04544	63.8
282.04868	1.0
297.07553	0.8
303.06473	0.6
305.04501	1.0
317.08371	0.5
323.05649	3.3
331.68298	0.4
392.44693	0.4
449.08786	62.7
450.08945	0.8
473.65283	0.5
589.21155	0.7
625.11914	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	624.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89665	0.3
57.05219	0.3
59.01371	0.5
61.98829	100.0
66.37923	0.4
71.90681	0.3
84.29702	0.4
85.78301	0.4
111.81544	0.4
114.00085	0.4
151.06102	0.4
191.06403	0.4
338.75528	0.4
343.12421	0.3
343.46808	0.4
353.30829	0.4
393.80338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58388	0.2
59.01375	1.3
59.13780	0.2
71.01375	0.9
73.01742	0.2
75.00858	1.0
78.95910	0.2
79.95723	1.9
85.02946	1.9
89.02421	0.4
93.03439	1.1
95.01357	0.2
96.95989	100.0
98.95567	1.3
101.02420	0.3
102.24526	0.2
108.02155	1.9
109.02942	0.9
118.74147	0.2
119.03465	0.5
127.03957	0.2
130.22415	0.2
135.04504	0.2
139.03995	1.4
151.03923	0.3
152.01065	1.5
153.01930	0.5
184.74188	0.2
190.02693	0.8
191.05589	14.7
265.07504	0.3
309.11960	1.3
315.07114	1.2
323.13464	0.9
323.39697	0.2
335.03986	1.5
353.08786	0.5
384.22665	0.2
527.10339	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	623.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
59.27697	0.1
61.98827	0.2
61.99144	0.1
62.36249	0.1
67.07368	0.1
71.01367	0.4
73.02913	0.8
77.00584	0.1
78.95904	0.1
85.02938	0.3
85.38628	0.1
87.00832	0.1
87.44460	0.1
88.65556	0.1
88.98817	0.2
89.02433	0.2
93.03439	0.6
96.95956	0.1
99.00848	0.2
99.92570	6.7
108.25140	0.1
109.02952	0.2
114.93414	0.2
116.92842	100.0
116.97208	0.5
117.01940	1.3
117.92841	1.2
133.02907	0.2
135.04488	0.4
157.36807	0.1
161.61717	0.1
169.81764	0.1
173.04619	0.1
177.01784	0.1
191.05626	0.9
209.11696	0.2
213.75200	0.1
268.98114	0.1
283.02432	0.7
417.06036	0.6
443.27960	0.1
461.04907	0.1
623.10583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
64.26114	0.3
92.10072	0.7
101.71962	0.4
202.85623	0.4
276.86343	0.4
291.59506	0.4
371.47375	0.4
436.39557	0.4
450.78296	0.5
460.68634	0.5
598.21008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63448	0.8
55.01877	0.9
57.03447	1.2
59.01379	14.2
60.02601	0.9
61.98824	5.6
62.49811	0.9
67.10725	1.0
69.03415	0.9
70.89513	0.8
71.01372	7.4
73.02930	4.2
81.03440	1.4
83.01350	1.4
85.02926	4.5
87.00867	1.0
88.98816	0.9
89.02422	3.5
92.10156	3.6
93.03428	11.1
95.72173	0.9
96.95993	5.4
99.00823	1.1
99.92561	4.5
101.02425	5.3
102.46716	1.0
106.04233	16.7
107.05019	38.2
108.02180	5.0
109.03007	1.2
109.06535	1.0
113.02444	2.0
115.92049	1.8
116.92027	1.2
116.92846	36.3
116.97214	1.2
117.92862	3.5
118.92680	1.6
121.02958	8.4
123.04474	6.6
133.02888	4.2
134.49773	0.9
134.90613	1.0
135.04518	3.9
138.03192	1.7
149.02502	1.0
161.04639	1.3
161.09691	1.5
185.11803	23.5
191.05646	12.7
205.08612	1.3
207.10240	1.4
210.24158	0.9
213.09224	100.0
229.08557	3.6
246.95430	1.1
255.06531	1.1
257.08191	71.0
351.06958	1.3
416.70108	1.1
431.26169	1.4
497.47595	1.1
563.30396	5.8
587.25031	39.3
623.20691	5.9
623.34741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1619
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.66235	0.3
54.14305	0.3
57.31409	0.3
57.94506	0.3
59.01373	0.5
63.02409	0.5
67.09448	0.3
70.02311	0.3
71.01387	0.7
79.61592	0.4
83.01408	0.7
87.00880	0.4
90.87756	0.3
93.03430	0.4
94.60858	0.3
101.03956	0.4
103.02810	0.4
107.01382	1.7
109.81254	0.3
113.41122	0.3
116.92846	1.9
145.02936	0.6
148.01764	0.4
151.00360	9.2
152.01163	0.5
157.02913	0.4
158.41608	0.4
159.04535	0.5
163.00368	0.7
171.04469	0.9
173.06053	0.4
180.94324	0.5
183.04538	2.9
187.03992	0.4
189.01938	0.4
191.05605	2.2
199.03998	8.6
201.01894	1.6
202.71527	0.5
203.03516	0.8
211.04044	1.5
213.01910	0.5
215.03529	3.9
226.02608	0.8
227.03487	8.3
229.01347	0.4
234.05402	0.5
242.02167	5.8
243.02957	40.6
244.03583	2.0
255.02980	23.6
256.03809	0.4
257.04605	5.1
259.06125	0.4
270.01672	6.4
271.02466	61.4
272.03082	4.4
284.03400	0.7
285.03986	9.3
286.04843	2.7
287.05472	1.2
288.18176	0.4
299.01956	85.7
300.02719	27.1
301.03259	0.8
314.04330	70.7
315.05106	44.7
316.05408	0.6
357.06332	0.7
396.24335	0.4
623.16187	100.0
624.16699	4.3
650.83276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1404
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
55.01877	0.8
57.03453	0.7
59.01376	21.3
61.98822	0.8
63.02395	1.7
65.00327	0.9
71.01371	10.9
73.02937	4.9
80.43465	0.7
83.01374	3.1
85.02929	8.1
87.00864	1.8
88.98801	1.4
89.02435	6.2
93.03459	3.8
96.91406	0.7
96.96005	4.8
99.00874	0.9
101.02428	7.9
107.01354	1.7
109.02937	3.1
113.02421	4.3
116.92834	1.4
119.03480	1.3
119.05011	1.1
121.02940	1.5
125.02383	1.1
132.02174	1.6
133.02943	11.2
134.03738	5.3
135.04514	6.8
136.04810	1.0
149.02455	1.6
151.00356	7.2
160.01665	9.8
161.02467	7.2
165.19040	1.1
167.64113	0.7
173.04527	1.1
175.03996	7.6
179.03525	1.7
191.05600	16.4
199.03975	3.9
201.01723	0.8
227.03589	1.0
241.05042	1.3
255.02927	1.4
256.03757	2.8
284.03241	30.5
285.04037	100.0
299.05673	8.0
323.07755	3.6
327.21790	1.7
384.83850	0.8
431.07645	1.7
447.08667	1.0
519.31915	1.1
562.29749	1.3
563.30603	12.8
579.24957	11.0
623.14069	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1402
Annotation	Luteolin 7-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.48046	0.1
54.75016	0.1
59.01380	1.5
63.02389	0.4
65.00317	0.9
69.28162	0.1
71.01385	0.4
73.02930	0.1
78.95892	0.1
83.01372	1.1
85.02944	0.5
87.00846	0.2
88.98795	0.2
89.02441	0.4
91.83906	0.1
92.10168	0.4
93.03442	0.7
96.22869	0.1
96.77213	0.1
96.96002	0.4
99.92574	0.1
101.02418	0.1
105.03449	0.1
107.01380	2.7
109.02938	0.2
113.02437	0.2
116.92836	1.3
121.02940	0.6
132.02177	0.1
133.02930	12.1
134.03737	0.2
135.04530	0.2
137.02435	0.1
139.04034	0.2
149.02420	2.5
151.00354	6.3
160.01654	0.5
161.02431	0.2
169.01428	0.1
169.06549	0.2
171.04451	0.4
173.04546	0.2
175.03969	3.8
177.01794	0.2
179.03397	0.1
185.06093	0.3
189.05482	0.2
191.05598	2.6
197.06041	0.4
198.03262	0.4
199.04007	3.3
201.01888	1.1
213.05481	0.8
215.03540	0.5
217.05054	2.0
223.03931	0.2
229.05081	0.2
239.03508	0.1
240.04372	0.1
241.05072	1.1
243.02980	0.9
252.36784	0.1
255.03000	0.1
256.03735	0.1
257.04526	0.6
267.02921	0.2
284.03262	0.7
285.04028	100.0
286.04379	1.4
299.05804	0.2
447.09540	0.4
623.14191	1.9
623.24133	0.2
623.29614	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	623.1252
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
51.54711	0.1
56.33166	0.1
59.01381	2.0
63.02415	0.2
65.00322	0.6
71.01379	1.9
75.00890	0.3
83.01411	0.2
85.02946	2.1
87.00882	0.8
93.03455	0.3
95.01390	0.4
96.95993	3.6
96.96955	0.2
99.00885	0.8
103.00385	0.2
105.03454	0.2
105.45081	0.2
107.01345	1.2
109.02952	0.3
113.02451	1.9
115.00367	0.3
117.01962	0.2
121.02936	0.2
128.11128	0.2
129.01955	0.2
129.43127	0.2
133.02919	5.3
135.04414	0.2
146.48053	0.1
149.02399	1.3
151.00339	4.1
153.92986	0.1
171.04567	0.2
174.03171	0.2
175.02522	0.3
175.03963	2.5
191.05588	2.5
197.06113	0.3
198.03204	0.2
199.04033	2.0
201.01851	0.7
211.03960	0.2
213.05585	0.3
215.03491	0.2
217.05072	1.3
219.33492	0.2
241.05096	1.2
243.02968	0.8
256.03754	1.2
257.04547	0.4
267.02740	0.3
284.03207	3.1
285.04025	100.0
286.04297	1.5
297.03992	0.6
299.05344	0.2
327.05130	1.4
341.30035	0.2
357.06528	0.6
443.06372	0.2
447.09390	6.4
461.07208	13.1
462.07397	0.2
503.08340	1.8
623.12488	14.5
624.12769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19715	0.6
61.98822	100.0
65.44749	0.7
70.97387	0.6
99.81732	0.8
115.43880	0.6
122.64897	0.7
126.53587	0.6
126.68683	0.7
175.77191	0.7
200.48137	0.8
304.07477	0.7
340.75580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85802	0.4
61.98822	100.0
74.33541	0.4
87.47923	0.5
92.10854	0.9
115.72426	0.4
129.01634	0.4
139.01305	0.5
185.55482	0.5
246.26848	0.5
338.50388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09163	1.0
59.01378	100.0
60.56290	1.0
60.57992	0.9
69.93367	0.9
81.75127	1.2
92.10827	2.3
106.71280	1.0
108.35600	1.0
113.87914	1.1
147.59851	1.1
174.36607	1.0
186.48601	1.3
209.11827	14.1
261.62198	1.2
265.43628	1.2
277.21689	20.2
309.51120	1.1
365.88266	1.1
417.07657	1.4
480.53055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10813	0.5
59.01378	0.7
61.98830	1.0
104.07316	0.7
111.07500	0.6
111.76322	0.7
116.92899	0.7
117.03478	3.8
119.04994	3.8
121.02930	1.0
130.13820	0.6
133.02925	14.1
134.03729	4.2
135.04503	4.4
137.02451	3.0
140.37112	0.7
145.02948	17.2
161.02423	44.3
179.49675	0.8
191.05574	1.2
587.37250	1.4
621.41675	100.0
622.41858	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39227	0.1
55.01878	0.1
57.03453	0.2
58.00621	0.1
59.01390	0.9
61.98836	0.2
64.99700	0.1
69.24991	0.1
71.01380	0.5
73.02941	1.4
85.02949	0.2
93.03437	0.5
99.00842	0.8
99.92564	7.4
101.02418	0.2
106.04224	1.3
107.05013	2.6
108.02162	0.4
113.02428	0.2
114.93397	0.5
116.92841	100.0
116.97187	1.1
117.01911	2.1
117.92850	1.2
119.16479	0.1
121.02917	0.6
131.03404	0.1
139.11273	0.1
148.96394	0.1
178.27983	0.1
183.10265	0.3
191.05650	0.5
213.09201	7.6
249.35014	0.1
257.08157	4.8
435.13477	0.1
503.32803	0.2
585.23474	2.7
621.40063	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	621.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29581	0.3
55.37004	0.4
57.78657	0.3
61.98830	0.8
71.01397	0.4
73.02937	2.9
84.61443	0.4
92.10130	1.1
99.00877	0.7
99.92562	8.7
114.93388	0.5
115.92037	3.3
116.02520	0.5
116.76501	0.4
116.92841	100.0
117.01926	5.6
117.92870	0.7
133.02911	0.5
137.02426	1.5
152.18259	0.4
158.74889	0.4
181.76633	0.3
191.05598	0.5
206.45132	0.4
275.76871	0.5
386.38907	0.4
457.33344	0.5
470.96671	0.4
476.87439	0.4
503.33759	3.6
573.25439	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	621.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81490	33.8
61.98838	42.2
70.14478	47.1
78.95926	100.0
91.82878	43.9
91.85894	38.5
104.60067	36.6
116.92823	74.1
119.10103	47.2
145.02945	79.2
159.61185	37.1
174.02649	42.5
180.66953	38.5
191.05521	77.4
291.77408	39.4
366.38254	47.2
485.32687	50.5
610.21039	42.7
621.41498	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83662	0.8
56.17486	0.8
59.01377	100.0
78.91707	0.9
85.69092	0.8
179.99437	1.0
189.77078	0.9
209.11804	10.7
227.12952	1.0
269.74771	0.9
277.21768	18.9
353.56870	1.0
359.16470	1.1
527.39294	1.0
532.39142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92793	0.2
59.01375	100.0
61.98820	1.4
71.01385	0.3
78.95892	0.7
82.79316	0.3
83.45825	0.3
85.02956	0.5
87.12611	0.3
93.03409	0.3
104.22215	0.3
114.69112	0.3
116.92840	0.5
124.41126	0.3
164.58163	0.3
173.44594	0.3
191.05617	2.6
204.41579	0.3
219.02998	0.3
277.21671	0.4
359.81946	0.4
394.47504	0.3
399.93076	0.3
435.37830	0.3
471.34760	0.6
502.33130	0.4
552.71936	0.4
592.81091	0.3
619.26825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46608	0.2
57.03446	1.1
59.01375	2.3
60.76633	0.2
60.99309	1.1
66.46872	0.2
67.01878	6.6
69.03437	1.4
71.01370	4.5
71.05004	0.2
71.28212	0.2
76.56240	0.2
77.65928	0.2
79.84828	0.2
81.03461	0.9
83.05016	1.4
85.02943	2.6
87.00863	2.5
88.35635	0.3
93.03434	34.8
96.96000	0.3
99.00888	0.3
99.04503	0.5
104.48355	0.3
109.02935	1.2
111.00874	1.0
111.04494	7.7
113.02452	0.3
115.04016	0.2
119.04999	17.4
127.03976	1.2
129.01906	0.4
133.02927	0.3
134.03711	0.3
135.04497	3.4
137.02420	5.8
145.02956	0.5
147.04539	0.5
151.63400	0.2
155.03499	5.0
160.01662	0.4
161.02388	0.5
161.39540	0.2
163.03986	18.7
168.92502	0.2
173.04520	100.0
174.04779	0.9
179.03462	1.0
191.05595	33.8
192.05951	1.3
198.34027	0.3
241.05232	0.3
245.75752	0.2
337.09293	27.8
338.09439	0.3
353.08621	0.3
399.37274	0.2
434.10297	0.9
434.60272	0.3
443.11060	2.3
443.61249	0.4
594.68250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.81579	0.6
53.51180	0.6
75.05713	0.7
95.09975	0.7
102.93784	0.7
104.24742	0.7
143.83649	0.8
171.04016	0.7
185.06436	0.8
199.27946	0.7
215.18042	0.7
221.32526	0.7
237.35840	1.0
401.13895	1.7
414.15265	0.9
415.15634	4.0
416.16412	18.8
429.17368	2.7
430.17679	3.2
431.18900	1.0
447.49295	1.0
458.17825	0.8
459.18277	100.0
460.18759	3.6
473.19864	14.6
474.20731	4.6
503.17062	1.5
517.18646	1.1
518.19586	36.7
519.19666	0.9
532.21100	6.6
533.21991	66.5
534.22180	1.6
587.23096	6.1
619.25641	57.6
620.26465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31045	0.6
55.97852	0.8
66.78075	0.7
74.25860	0.8
86.49540	0.7
92.10101	1.0
92.33146	0.8
102.57349	0.8
151.58437	0.9
164.74654	0.9
226.50128	0.8
234.97321	1.0
238.88538	1.1
277.21701	5.5
309.17563	0.8
401.14078	3.1
415.15674	4.1
416.16479	16.5
429.17151	1.2
430.17743	4.8
434.17542	1.4
444.15359	1.2
459.18268	100.0
460.18509	2.1
473.19772	16.5
474.20554	3.8
485.15839	1.1
501.19125	1.5
503.17310	2.1
517.19226	1.4
518.19531	42.5
532.21112	6.2
533.21936	61.0
534.22321	1.1
587.22913	4.5
619.25610	64.8
620.25800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
63.74062	0.1
64.36720	0.1
85.82194	0.1
92.10806	0.4
93.03429	0.1
105.03446	0.1
107.85516	0.1
117.03436	1.0
118.03741	0.1
121.02942	0.5
127.65019	0.1
132.02176	1.0
133.02934	26.9
134.03722	3.4
135.04498	7.8
135.05539	0.2
137.02419	1.9
139.03989	0.5
145.02922	1.4
146.03281	0.8
147.03528	0.1
150.03178	0.1
161.02423	96.2
162.02789	1.1
163.04018	0.6
165.01938	0.1
178.02719	0.6
179.03453	2.8
179.67386	0.1
181.48953	0.1
217.61018	0.1
241.52527	0.1
425.34598	0.1
522.97675	0.1
619.40027	100.0
620.40381	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	617.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07390	0.2
74.86897	0.2
92.33904	0.2
93.87414	0.2
99.77229	0.2
112.70174	0.2
117.03446	24.4
119.05009	6.2
121.02936	1.9
123.04510	0.4
130.64824	0.2
133.02954	0.4
145.02943	100.0
146.03299	0.9
147.04506	0.2
162.03325	0.6
163.03979	2.1
439.32159	0.3
453.33847	1.6
471.34671	0.2
497.32516	1.2
573.40179	0.4
617.38470	77.9
618.38916	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	617.3844
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.00306	0.3
61.60090	0.4
62.35977	0.3
75.27843	0.4
92.10126	1.3
127.51633	0.4
133.02939	29.7
134.03755	1.6
135.04478	0.8
137.02419	3.4
139.24377	0.4
141.78838	0.4
147.27348	0.4
161.02429	100.0
162.02707	0.4
179.03491	0.5
342.60370	0.5
459.38751	0.4
596.78857	0.5
617.38489	90.5
618.38879	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	617.3845
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
54.22849	0.5
54.82059	0.6
56.72126	0.5
133.02939	14.5
134.03722	5.4
135.04498	4.8
137.02394	2.0
139.03923	1.0
161.02428	39.6
173.48471	0.6
179.03458	1.3
190.97235	0.6
198.93488	0.6
304.30630	0.6
314.03000	0.7
417.27637	0.6
617.38470	100.0
618.38678	3.4
630.72614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	17.7
67.01881	1.2
70.02966	7.8
71.01385	0.3
72.00887	3.6
85.02944	1.8
87.00872	2.5
91.05519	9.4
92.10095	0.6
93.03439	9.2
96.95984	3.3
102.27838	0.3
109.02904	0.3
111.04519	1.3
119.05018	0.3
127.03987	0.4
129.01912	0.5
134.03723	3.9
135.04495	0.6
147.04503	34.2
148.04839	0.6
159.08681	0.3
162.09200	0.6
164.07150	87.7
165.07487	0.6
173.04457	2.4
191.05595	28.1
191.17003	0.3
192.05943	0.4
193.05096	1.1
202.61488	0.3
206.08209	100.0
207.08557	0.7
208.35309	0.3
250.07227	0.5
367.10248	5.7
367.14529	0.4
580.14270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54617	1.7
54.08731	1.8
59.01374	11.9
59.15374	1.7
59.49453	1.8
61.98825	8.4
64.33306	1.8
71.01382	3.4
73.92085	1.9
93.03440	2.7
96.96009	7.8
107.04992	3.1
108.02135	2.1
112.98567	3.0
116.92825	10.2
121.02939	100.0
122.03714	5.1
137.02414	3.2
151.00388	2.4
154.02684	2.4
171.10175	2.7
185.11853	20.8
191.05522	13.5
201.82266	2.2
209.11679	2.8
228.07895	54.4
243.10237	83.0
287.09222	53.2
287.54953	2.1
322.53345	2.3
359.40723	2.5
441.00616	2.2
450.75558	2.6
455.26147	2.7
617.25775	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	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05554	0.3
91.48427	0.2
93.06234	0.3
97.58394	0.2
101.79945	0.3
113.15797	0.3
117.03438	28.7
119.05002	6.5
120.80093	0.2
121.02945	2.2
123.04537	0.4
125.94958	0.3
145.02936	100.0
146.03275	1.1
162.03122	1.0
163.03960	1.7
235.70401	0.2
239.67970	0.2
278.70987	0.3
353.48431	0.3
357.81439	0.3
364.42892	0.3
453.33533	1.6
497.32840	1.7
573.39532	0.4
617.38458	78.8
618.38843	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	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08207	0.7
53.94236	0.7
64.33778	0.9
117.03453	24.6
119.05008	6.3
121.02891	1.0
145.02948	100.0
256.32141	0.9
277.35980	0.9
342.24619	1.0
362.58514	1.0
453.33398	1.4
454.43390	0.9
544.22156	1.1
617.38464	98.3
618.38794	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	617.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88593	0.2
66.04246	0.2
92.10827	0.8
105.02137	0.2
116.02664	0.2
117.03448	28.3
119.05005	5.9
121.02933	2.3
123.04546	0.6
133.02888	0.2
145.02939	100.0
146.03326	0.3
162.03230	0.5
163.03992	2.1
327.95621	0.2
453.33600	1.6
454.96539	0.3
497.32822	1.4
573.39612	1.2
617.38446	66.7
618.38824	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	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22369	0.2
54.99887	0.2
61.51020	0.2
67.74085	0.3
70.71264	0.2
93.68140	0.3
117.03447	24.3
119.05013	7.3
121.02959	1.8
123.04485	0.4
132.58331	0.3
133.02898	0.5
145.02945	100.0
146.03334	1.2
147.10298	0.2
152.66988	0.3
156.95438	0.3
163.03973	2.0
206.40244	0.3
256.42130	0.3
265.40091	0.3
328.10214	0.3
394.37408	0.3
423.29022	0.4
453.33746	1.3
455.05386	0.3
497.32825	1.4
617.38507	74.8
618.38965	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	617.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98536	0.3
59.01387	3.4
61.98838	0.6
63.02384	0.4
65.00327	10.8
68.42293	0.3
71.01369	2.0
73.02953	0.4
78.95901	0.7
81.03442	0.6
83.01381	5.7
85.02944	0.8
87.00861	0.5
89.02434	0.5
91.01897	0.4
92.10782	0.5
93.03448	1.8
95.03838	0.3
96.95988	8.3
96.96970	1.3
107.00643	0.8
107.01380	24.5
107.05053	0.4
109.02927	3.3
116.92845	1.9
123.04510	1.3
125.02431	5.3
131.01353	1.4
133.02913	2.6
134.03725	1.6
135.04504	74.2
136.04825	0.7
137.02454	1.6
149.02403	0.6
151.00356	100.0
152.00685	1.5
159.04478	4.3
161.02426	3.4
165.01894	1.4
169.01457	1.6
171.10333	0.6
173.06046	0.9
175.00386	5.8
175.07637	1.5
177.01912	1.4
179.03479	0.4
183.04509	0.5
185.11870	0.6
191.05608	3.8
193.01343	1.9
197.06151	0.6
199.03947	0.5
201.05629	3.9
209.11833	0.4
213.05678	0.6
225.05595	3.6
241.05099	3.2
243.06604	23.4
269.04510	10.0
285.04047	11.8
287.05591	68.8
288.05957	2.1
289.06143	0.6
289.18201	0.6
335.15427	0.4
419.26569	1.5
441.19247	0.4
471.73013	0.4
617.22406	14.3
620.87537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2236
Annotation	2,2'-biporphyrin
Peak:m/z	Relative Intensity
54.73695	0.3
57.03445	0.3
61.40603	0.3
63.02398	1.6
65.00327	10.3
72.51580	0.4
77.40756	0.4
83.01373	5.8
83.01780	0.4
87.74530	0.3
107.01376	21.2
108.99289	0.4
109.02901	1.0
114.11526	0.3
125.02460	4.4
129.41167	0.4
133.02887	0.4
134.03679	0.4
135.04506	83.3
136.04840	0.4
151.00354	100.0
152.00650	0.5
152.51053	0.3
161.02469	1.7
169.01401	1.7
185.11827	0.7
201.05627	0.5
234.20692	0.4
269.04565	0.5
285.04050	5.6
286.04395	4.3
287.05603	39.9
431.09882	0.7
431.46295	0.4
617.22412	28.7
618.21844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2445
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
56.87878	0.8
59.01374	7.3
61.98839	1.1
71.01380	1.4
73.02935	1.0
84.84596	1.0
93.03456	5.0
95.01424	1.0
96.95974	9.6
106.04240	1.3
107.05016	4.6
108.02192	1.6
121.02931	100.0
122.03719	11.3
124.01662	1.1
135.04514	5.2
137.02444	1.3
150.03189	2.2
151.00345	2.0
152.61606	0.8
154.02682	1.4
182.02170	4.6
191.05597	2.3
207.10233	0.9
211.07626	0.9
217.01340	1.5
227.07137	3.8
228.07915	53.4
243.10233	77.9
244.10500	1.9
273.15378	0.9
276.82050	0.9
287.09241	5.5
615.24420	90.5
616.24561	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	617.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98831	2.3
115.02519	5.1
117.00453	10.1
122.08386	1.0
132.98160	4.9
137.92281	1.2
159.01480	63.3
160.01645	4.6
161.01122	4.0
174.97760	1.5
174.99237	35.0
187.00964	6.6
188.01088	2.5
188.97041	1.5
189.00713	4.8
201.02557	14.4
216.98228	2.4
217.00298	71.2
232.98192	1.5
243.98753	1.2
274.99338	4.0
290.97113	5.0
301.02606	16.3
317.00378	40.1
331.01990	1.9
332.98257	18.0
359.01733	2.4
374.99252	19.7
459.01389	2.0
474.99414	17.9
556.98340	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	617.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24827	1.1
51.56193	1.3
53.93921	1.2
55.01865	2.0
57.03442	1.3
59.01377	100.0
66.76480	1.5
69.03438	2.2
71.01375	42.2
72.99317	1.7
73.02943	22.4
78.95900	11.3
83.01385	9.5
85.02937	26.6
87.00887	9.6
89.02435	21.6
89.55550	1.3
91.63451	1.5
92.74577	1.6
93.03449	13.0
93.40657	1.4
95.01408	3.0
96.50359	1.3
96.95997	36.7
97.02959	5.7
99.00854	7.7
101.02427	39.4
109.02924	2.1
111.04506	2.3
113.02440	25.2
116.92850	3.4
119.03478	9.5
125.02412	10.4
131.03474	3.5
133.02843	1.9
135.04492	15.0
137.02429	5.6
143.03474	7.1
149.04504	1.8
151.00366	1.8
151.03970	2.9
161.02414	1.9
161.04556	15.5
173.04509	3.6
175.03812	1.5
179.05658	6.1
191.05618	78.1
192.05887	3.4
195.06470	2.3
200.15790	1.6
202.99858	3.2
203.05637	10.8
221.06693	18.4
255.02962	2.4
263.07727	15.2
297.04025	6.0
305.08801	7.0
310.90045	1.6
339.05020	8.8
400.09253	8.5
419.92633	1.6
427.16040	6.4
433.09039	2.3
445.17245	6.6
469.17230	2.6
487.18304	30.0
529.19012	10.2
579.13861	3.0
625.16486	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	615.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98838	1.6
63.02111	0.3
63.02411	1.3
65.00317	0.6
83.01386	1.2
85.02969	0.6
86.96503	0.3
93.03458	0.7
93.44606	0.3
95.00709	0.3
96.95988	11.3
96.96981	1.2
98.95585	0.3
102.07849	0.3
107.01386	2.8
109.02975	1.1
116.92865	0.5
119.04966	0.3
121.02965	1.3
121.73293	0.3
123.04488	0.4
133.02963	5.4
133.03955	0.5
134.03731	1.3
135.04518	1.3
139.03957	0.8
149.02397	2.2
150.03198	1.8
151.00352	7.3
151.03743	0.4
165.01904	0.7
165.05617	0.6
171.04485	0.4
175.03960	2.0
177.01956	0.7
183.04538	0.4
185.06010	0.6
185.11839	0.5
189.01868	0.5
191.03854	0.4
191.05600	3.9
192.05798	0.5
195.06506	0.5
197.05960	0.4
199.04037	2.6
200.04890	0.5
211.04015	0.6
213.05548	0.4
213.79338	0.4
217.01479	0.5
217.05101	1.4
221.54108	0.3
227.03456	1.8
241.05084	0.7
243.02988	0.5
243.06601	2.4
255.02943	1.2
256.03745	3.9
257.04669	0.5
269.04565	0.5
283.02383	0.7
284.03244	61.8
285.04022	100.0
286.04239	1.4
287.05551	0.5
297.04080	0.6
319.88687	0.3
327.05225	1.1
341.06711	0.5
503.33740	1.3
547.16071	0.5
579.27979	1.3
615.20819	59.5
616.21246	1.8
619.47882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46663	0.4
59.01374	0.9
71.01389	0.5
79.81666	0.4
84.39035	0.4
85.02956	0.4
93.03447	0.6
96.95994	2.9
98.95565	0.5
100.21299	0.5
109.02957	1.8
115.80561	0.4
125.02479	0.7
135.04575	0.7
136.01656	2.1
137.02429	16.7
149.02443	1.8
150.03235	3.1
151.00403	0.6
151.03963	2.5
163.03986	0.8
164.01137	2.5
165.01907	100.0
165.05579	2.5
166.02271	0.6
168.94588	0.4
175.04030	0.5
177.01965	0.5
179.03482	29.5
180.04268	55.2
191.05627	3.6
194.05734	5.4
195.02898	2.3
195.06612	50.0
210.05319	10.5
224.06924	0.5
225.05455	1.1
225.07675	32.3
226.07967	0.5
257.04553	6.0
270.08948	0.9
283.09732	0.7
285.11310	1.1
286.08557	0.7
297.11258	0.5
298.08380	0.8
299.09415	1.0
299.12653	0.7
314.08008	1.9
325.10748	0.6
327.12408	2.6
328.13113	4.8
329.10272	5.2
330.11035	0.7
341.10333	5.4
341.13898	0.8
343.15439	0.5
344.12570	6.5
356.12723	2.5
359.15036	12.4
371.14948	8.9
389.16116	0.7
415.23187	0.8
435.66782	0.5
475.49472	0.5
537.20917	4.2
567.22314	30.7
568.22900	0.6
573.51550	0.5
586.85425	0.7
615.24103	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	615.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
61.98823	2.1
63.02111	0.3
63.02415	1.8
65.00347	1.2
71.85056	0.2
78.95928	0.4
81.03460	0.4
83.01388	1.4
85.02938	0.5
86.64873	0.3
89.02447	0.4
93.03470	0.5
96.96001	9.9
96.96972	1.1
101.02438	0.3
107.01392	3.6
109.02955	1.3
116.92863	0.4
121.02957	0.4
122.03738	0.4
123.04509	0.7
125.02453	0.5
132.02176	0.3
133.02937	4.8
134.03725	1.5
135.04498	0.5
137.02339	0.3
139.04010	1.7
148.01636	0.6
149.02443	2.2
149.99593	0.4
150.03180	2.2
151.00378	6.5
159.04478	0.3
161.02437	0.4
165.01872	0.5
165.05539	1.7
166.05888	0.5
169.01346	0.4
175.03949	2.4
177.01872	0.6
183.04471	0.6
187.03918	0.4
189.01904	0.5
191.05589	2.9
195.06599	1.2
196.07072	0.4
197.06068	0.4
198.03250	0.3
199.04047	2.8
200.04782	0.4
201.01868	0.6
211.04039	1.4
212.04803	0.5
213.05510	0.4
215.03477	0.4
217.05072	1.4
227.03474	2.5
228.04208	0.5
239.03546	0.4
241.04903	1.2
243.03006	0.5
243.06514	1.6
255.03017	2.3
256.03793	4.6
257.04266	0.3
269.04703	0.3
283.02478	1.5
284.03244	64.5
285.04025	100.0
286.04404	1.8
297.04010	0.4
327.04828	0.6
341.06427	0.7
503.33676	0.7
530.26630	0.3
561.28979	0.3
579.27917	1.4
615.20825	59.2
616.21191	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	615.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14433	0.2
53.43427	0.2
53.69773	0.2
56.42781	0.2
56.45806	0.2
56.92728	0.2
57.21730	0.2
59.01380	0.3
63.02396	1.7
65.00314	12.1
65.00658	0.4
75.29277	0.2
77.51396	0.2
83.01371	5.8
88.27637	0.2
98.97180	0.2
107.01376	22.4
108.99279	0.4
109.02959	1.5
113.89723	0.2
116.92806	0.2
125.02430	4.3
133.02963	0.3
134.03746	1.0
135.04500	81.7
136.01642	0.3
136.04825	0.9
151.00351	100.0
152.00705	0.4
159.04506	0.3
161.02405	1.1
164.01086	0.5
165.01874	1.0
169.01401	1.4
177.01923	0.3
191.05673	0.3
201.05565	0.3
226.44310	0.2
269.04538	0.3
287.05603	40.4
288.05896	0.5
379.31503	0.2
431.09802	0.5
432.26483	0.2
449.10883	1.3
615.20837	21.8
616.21509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
61.98835	0.8
63.02384	1.1
65.00322	9.0
71.01377	0.5
82.95419	0.7
83.01367	5.4
92.10170	1.5
93.03436	0.7
96.95995	2.3
107.01373	21.7
109.02953	0.7
116.92846	1.0
121.02898	2.6
125.02408	4.1
133.02888	1.9
134.03668	0.8
135.04497	70.8
137.02452	0.6
151.00345	100.0
161.02435	2.1
161.09685	0.6
169.01408	0.6
177.01852	0.8
191.05606	2.0
205.08678	0.8
228.07796	0.6
243.10208	2.0
260.58533	0.6
284.03046	0.7
285.03995	10.8
286.04385	0.7
287.05594	51.5
434.29041	0.7
475.30978	0.5
505.71170	0.5
580.72089	0.5
584.36316	0.6
615.20837	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	615.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03678	0.9
59.01376	30.0
63.11744	0.8
70.84792	1.1
71.01385	14.5
71.59539	1.0
79.33569	1.3
85.02943	4.1
89.02435	18.6
92.10159	3.8
93.03431	9.9
96.96004	22.8
98.51341	1.1
98.95600	1.2
101.02434	8.1
113.02435	7.5
119.03481	5.4
119.05000	1.3
123.04503	61.8
135.04524	2.2
136.01656	4.7
137.02425	67.5
151.03987	2.4
153.05566	100.0
163.03931	1.9
179.03514	15.8
181.05025	4.7
191.05646	11.6
239.05568	5.6
261.00668	8.0
299.07724	57.1
315.10880	22.0
368.82745	1.3
417.23044	1.3
551.81598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39006	0.1
51.56639	0.1
54.46748	0.1
58.14189	0.1
59.01378	0.3
67.01901	0.1
71.01382	0.2
71.46921	0.1
75.96976	0.1
78.95888	3.8
79.95720	1.6
81.03444	0.1
84.73890	0.1
85.02935	0.6
87.00869	0.7
93.03430	1.7
95.15085	0.1
96.95990	100.0
96.96870	4.8
99.00851	0.1
108.02200	0.1
109.02916	0.6
111.04547	0.2
116.82246	0.1
119.28403	0.1
133.02960	0.2
135.04500	1.1
137.93523	0.1
147.04478	0.2
153.01945	0.5
161.02412	0.3
164.07158	0.5
165.07417	0.2
167.07114	0.2
173.04523	0.7
191.05605	6.1
192.05899	0.2
206.08202	0.2
207.08615	0.2
339.05078	0.5
352.07990	1.5
352.58136	0.2
363.16629	1.1
364.16931	0.9
369.06024	0.2
399.07245	0.2
517.13165	0.2
555.22272	0.2
579.13403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73608	0.3
52.27732	0.4
54.81916	0.3
57.77637	0.4
58.13041	0.3
59.01383	4.2
60.53035	0.5
61.98838	2.4
63.02401	2.4
63.68518	0.5
65.00330	0.8
78.95869	0.9
83.01395	0.7
84.32957	0.4
85.02954	0.8
85.07156	0.5
87.00867	0.5
92.10081	1.4
93.03466	2.2
96.95989	14.9
96.96949	1.0
101.02457	0.5
107.01372	3.1
109.02945	1.7
113.02411	0.5
117.91670	0.5
121.02937	1.0
125.02428	0.9
133.02937	6.4
134.03719	2.2
135.04486	2.4
139.04019	2.9
142.88278	0.5
149.02432	2.9
150.03185	2.9
151.00348	6.9
151.03618	0.7
161.02313	0.6
165.01881	0.5
165.05556	1.9
166.05920	0.6
169.01357	0.6
173.04523	0.5
173.06000	0.6
175.03983	3.1
177.01910	0.8
180.04192	0.8
182.78761	0.4
185.06140	0.5
185.11803	2.1
187.03914	0.6
189.01961	0.6
191.05629	5.4
195.06624	0.9
199.04025	2.4
201.01823	0.7
211.04065	1.7
217.05008	0.7
227.03508	1.8
241.05122	0.7
255.03029	1.9
256.03821	4.2
266.59946	0.4
268.79330	0.4
273.56271	0.4
283.02603	0.8
284.03238	65.1
285.04019	100.0
286.04315	2.0
297.03922	1.0
321.00070	0.5
327.04901	0.7
377.81506	0.5
534.69745	0.5
561.29272	2.1
615.20807	58.4
616.21222	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	615.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24396	0.3
52.86707	0.3
58.75585	0.3
59.01389	0.7
61.06752	0.3
62.41339	0.3
62.77459	0.3
63.57293	0.3
71.01373	0.6
73.02914	0.3
77.98394	0.3
79.83706	0.3
82.73654	0.3
83.01388	0.7
85.02959	1.4
87.00818	0.4
93.03448	1.8
96.95991	10.1
109.02939	2.4
111.00861	0.4
119.04986	0.8
125.02419	0.5
133.02925	9.1
134.03714	1.5
135.04482	1.5
137.02443	0.8
147.04503	0.5
149.02417	1.6
149.06012	0.6
151.03938	1.2
159.04448	0.5
161.02458	1.5
161.06099	0.5
163.03975	1.8
165.01933	0.8
173.02464	0.3
173.04472	0.5
174.03265	0.4
175.03954	3.1
177.01942	2.4
177.05577	2.0
179.03455	1.6
189.01849	0.5
189.05594	0.8
190.02750	0.4
191.03537	1.4
191.05577	7.4
192.06009	0.4
199.03896	0.4
201.01898	1.3
201.05507	0.5
203.03464	2.2
205.01375	0.7
205.05148	0.6
209.01875	0.4
213.05626	0.5
215.03575	0.7
217.04964	0.6
221.04778	0.3
225.05554	0.5
227.03580	0.5
233.04507	1.8
235.02431	0.8
239.07191	0.5
240.04211	0.5
241.05077	0.8
243.02777	0.3
243.84967	0.3
245.04475	0.8
255.02875	0.5
255.06712	0.4
257.04742	0.3
265.05008	0.6
267.06296	0.5
269.04514	0.8
283.06079	1.7
284.03189	0.5
284.06689	0.4
285.04126	0.6
289.07300	0.5
295.02487	0.4
295.05948	0.6
297.04019	4.1
298.04819	10.1
299.05603	5.6
309.04077	0.6
310.04742	1.6
311.05646	9.0
312.06415	12.2
313.07153	10.2
323.05606	2.7
325.07077	2.2
327.05063	7.3
330.03790	0.5
338.04266	0.6
339.05115	12.9
340.05707	0.4
341.06732	7.1
344.05371	1.7
351.05136	1.5
353.06476	3.6
357.06232	2.4
363.05093	0.4
367.04712	0.6
369.06149	41.2
370.06534	0.7
371.07889	0.5
381.06107	6.3
383.07684	0.7
393.06210	1.5
395.07852	0.4
397.05429	0.5
399.07202	42.2
400.07486	0.5
405.06384	0.5
411.07159	5.1
413.08749	0.4
423.07263	1.3
429.08350	10.1
441.08240	6.9
453.08435	0.6
459.09360	16.1
465.08179	0.4
471.09406	1.8
489.10513	5.2
501.10449	0.6
561.12079	0.5
579.13568	100.0
580.13928	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	615.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58463	0.1
53.47482	0.1
59.01378	0.8
71.01372	0.3
78.95889	1.4
79.95724	1.9
85.02945	0.2
85.65090	0.2
87.00864	0.2
89.02450	0.3
96.95992	100.0
98.95554	0.2
115.00355	0.2
121.02931	0.2
135.04532	1.5
173.04448	0.2
175.02455	0.6
191.05609	1.4
198.15268	0.2
203.03441	0.2
221.04407	0.7
246.74492	0.2
293.06586	0.2
324.45667	0.2
335.13266	0.2
355.10281	0.2
517.11743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77688	0.3
54.81870	0.4
59.01376	8.4
60.01717	0.6
60.99311	0.4
61.01800	0.4
67.01887	0.4
71.01373	4.3
78.95886	0.7
82.95414	0.4
83.01362	0.4
85.02921	2.8
87.00851	0.9
89.02447	4.3
90.02763	0.5
91.02857	0.4
92.10110	0.8
93.03429	2.9
96.95982	3.7
97.65601	0.4
99.04508	1.7
101.02388	0.7
104.18136	0.4
109.02949	1.9
113.02445	0.9
114.37366	0.4
119.03474	0.8
119.04974	0.7
121.02940	0.7
125.02387	0.6
133.02911	5.9
133.51381	0.4
135.04451	0.9
145.02882	0.5
147.04509	1.5
149.02454	1.0
161.02441	1.9
163.00426	0.7
163.03981	2.2
165.01892	2.4
173.04494	0.7
175.03992	3.4
177.01918	0.7
179.03430	0.4
191.03726	1.5
191.05595	12.9
192.05940	0.5
193.01346	1.7
199.04030	0.9
201.01865	0.5
207.13928	0.9
208.14192	0.7
209.14497	0.5
213.05646	0.7
225.05690	0.5
229.01431	0.5
240.04222	0.4
241.05014	0.5
251.12743	0.8
252.13123	1.8
253.04970	0.7
253.13472	1.9
254.13710	0.4
269.04504	0.9
281.04645	0.6
284.03223	8.9
285.04065	6.5
297.04053	14.4
298.04761	13.5
299.05588	19.5
309.04031	0.7
311.05560	2.7
313.03568	0.7
324.02661	0.6
325.03406	0.8
327.05081	100.0
328.05405	2.1
339.04919	3.4
341.06491	0.5
346.09729	0.5
353.06979	0.6
357.06131	21.3
369.06143	1.6
381.05832	2.9
417.08264	42.7
433.19702	0.9
434.19958	1.8
435.20035	0.9
475.03998	0.5
489.10239	2.7
535.03522	0.5
555.23669	0.6
579.13562	46.9
580.13922	0.7
608.17615	0.5
614.26349	2.5
615.26733	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	613.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86893	0.3
59.01377	100.0
62.51692	0.3
71.01381	0.6
71.49429	0.3
81.41093	0.4
83.01345	0.4
85.02953	0.9
93.03468	1.7
96.96001	10.5
107.51770	0.4
109.02945	5.6
121.02937	4.9
123.04496	2.4
135.04459	0.8
140.43057	0.4
151.03996	0.9
161.02461	0.6
166.06332	55.7
173.04495	0.6
177.01880	5.6
181.08687	63.7
189.01923	10.7
190.02708	2.1
191.03520	2.7
191.05589	6.8
203.03477	0.9
216.00624	1.3
217.01425	7.5
219.02946	2.7
231.02921	2.6
279.06653	0.8
301.03201	0.5
303.87851	0.4
307.54416	0.4
323.05603	1.6
341.06674	16.4
342.07047	0.7
391.17636	32.6
418.21805	0.4
425.77063	0.4
451.10275	3.9
503.12247	0.6
506.10156	0.6
515.12292	1.6
613.15271	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	613.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31680	0.6
56.98610	0.7
57.03447	0.7
59.01373	27.6
61.98817	1.4
62.64523	0.6
65.00287	0.8
69.03439	1.4
71.01368	7.5
73.02944	2.9
73.18333	0.6
73.45058	0.6
83.01426	0.6
85.02956	5.3
87.00901	1.3
89.02442	3.4
93.03458	3.1
96.96003	2.5
101.02437	4.4
107.01388	2.9
109.02924	1.4
113.02426	3.1
113.09697	3.2
115.07648	0.8
119.03444	0.8
121.02897	0.8
123.36323	0.9
133.02936	12.6
135.04517	8.1
137.02426	1.4
138.06841	2.8
139.07666	1.0
149.02420	3.1
150.03215	3.6
151.00325	8.2
151.04015	1.3
151.07594	1.2
152.08401	3.1
153.09177	13.4
161.02449	1.0
161.04529	5.2
163.03909	0.8
165.01953	6.3
165.05547	3.5
173.04567	1.6
175.03975	4.0
179.03497	4.3
179.05591	0.8
180.04205	4.0
183.10316	0.9
185.11807	69.6
191.05595	17.6
192.06000	1.1
195.06535	4.9
199.04050	1.6
201.01924	0.9
205.12309	6.4
217.05078	3.0
223.13287	4.2
225.07712	1.0
255.02904	0.8
256.03696	1.5
257.04361	1.1
284.03140	3.2
285.04031	100.0
286.04297	1.7
352.07977	1.5
385.18658	25.6
613.19275	18.1
614.20355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.7
61.98840	1.4
82.35921	1.4
85.02945	2.4
91.02402	1.3
93.03452	7.1
95.05036	1.8
96.96011	1.5
109.02934	26.5
116.92899	1.6
121.02924	14.4
122.03703	14.5
123.00858	1.7
123.04535	11.1
124.01696	1.6
133.02910	1.9
134.03696	2.2
135.04504	8.3
136.01663	15.6
137.02434	29.9
147.04543	1.5
149.02431	28.3
150.03212	89.6
150.09985	1.4
151.00372	8.1
151.04041	25.7
152.01086	1.9
161.02426	2.6
161.06082	1.9
163.04007	2.6
164.01102	2.0
164.04758	5.4
165.01920	100.0
165.05563	63.8
166.02684	24.2
167.03439	2.7
175.03983	3.1
177.02003	9.4
177.05603	2.0
179.03484	27.1
180.04279	58.2
181.05046	25.2
187.04053	3.1
189.01930	9.6
189.05443	2.5
190.06366	2.8
191.03627	3.8
191.05602	16.4
193.05005	2.9
194.05844	5.2
195.02887	1.8
195.04814	2.6
195.06616	72.4
202.99722	1.5
203.03554	2.6
205.05087	8.6
210.05290	9.6
215.03543	11.5
217.01437	11.5
219.02965	1.9
220.07430	2.0
223.99255	1.8
225.07669	26.8
231.03014	1.6
242.02148	7.4
243.02893	6.4
269.00995	5.0
274.01181	5.0
309.03979	6.0
323.05670	5.4
341.06638	19.3
357.13382	2.3
387.14728	18.1
393.06122	19.5
417.15506	19.8
461.08286	1.8
503.09872	52.0
504.09976	1.8
535.19830	2.1
565.20807	61.6
566.21405	2.7
613.13464	20.4
613.22327	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	613.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38533	0.9
59.01385	9.1
59.01621	0.9
61.98814	1.2
67.25829	0.8
71.01375	1.7
85.02947	2.3
93.03442	2.2
96.95985	7.9
96.96939	1.1
107.01366	3.8
119.03443	1.3
133.02922	12.5
134.03740	1.2
135.04488	4.9
149.02423	1.9
151.00362	7.3
161.02368	1.5
167.03326	1.0
173.04506	1.5
175.03943	2.3
183.10284	1.3
185.11781	2.3
191.05612	20.6
199.04001	1.5
218.48634	1.0
277.59094	1.1
284.03366	1.9
285.04047	100.0
286.04193	1.2
503.13620	1.9
613.19122	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	613.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98836	1.2
62.93803	0.4
63.02395	1.2
65.00323	0.7
68.59342	0.6
83.01387	0.8
85.02968	2.3
87.00836	0.8
88.98796	0.8
89.99168	0.5
90.56436	0.6
93.03448	3.9
96.95996	2.9
107.01396	3.6
109.02942	3.6
119.05023	1.0
121.02930	0.6
123.04503	0.9
125.02435	0.6
133.02936	5.4
134.03711	2.3
135.04492	6.0
137.02454	0.7
139.90053	0.6
149.02444	1.3
151.00330	6.1
151.03992	1.0
154.92393	0.5
157.05061	0.7
161.02429	1.0
163.03940	1.2
165.05524	0.7
167.07095	0.7
173.04521	2.2
175.03883	1.0
177.01926	0.6
179.03476	0.9
191.05579	18.7
195.04605	0.6
199.04086	1.3
201.01968	0.9
207.87077	0.5
211.04163	0.9
215.03510	0.8
217.05086	1.3
227.03522	2.7
229.01436	1.0
239.03674	0.7
253.08710	0.8
255.03117	1.8
256.03799	3.7
283.02585	0.7
284.03244	59.1
285.04025	100.0
286.04346	1.3
313.03442	0.7
337.09363	0.8
339.05093	0.9
341.06699	0.7
352.07935	0.7
428.11359	0.6
439.13828	2.2
503.09808	2.2
585.23352	0.6
613.19342	55.4
614.19934	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	613.1924
Annotation	Resinoside A
Peak:m/z	Relative Intensity
54.12762	0.1
63.02414	0.2
65.00307	0.9
72.35799	0.1
79.58471	0.1
83.01389	0.8
92.63978	0.1
96.15216	0.1
97.05161	0.1
107.01386	2.2
132.02177	0.2
133.02942	11.1
143.05008	0.2
145.49380	0.1
149.02428	2.5
151.00360	5.9
171.04474	0.3
175.03986	3.6
185.05974	0.4
197.06131	0.2
198.03217	0.5
199.02362	0.2
199.04005	3.0
201.01944	1.0
211.04045	0.2
213.05588	0.7
215.03523	0.5
217.05051	2.0
223.04002	0.3
241.05150	0.9
243.02948	0.7
255.03133	0.1
256.03809	0.4
257.04529	0.5
267.02975	0.3
280.31717	0.1
284.03259	1.6
285.04047	100.0
286.04321	1.8
591.02368	0.1
613.19202	1.2
623.76855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20787	0.1
59.78268	0.1
63.02396	0.4
63.46176	0.1
65.00303	0.9
66.18758	0.1
72.41196	0.1
77.83714	0.1
78.48036	0.1
83.01386	0.7
84.89233	0.1
102.93794	0.1
105.03438	0.2
107.01373	2.3
121.02912	0.4
133.02933	12.0
149.02425	2.2
151.00351	5.9
151.01578	0.1
169.06549	0.1
171.04535	0.2
175.03975	4.0
185.06021	0.2
189.05722	0.2
197.06090	0.4
198.03197	0.5
199.04005	3.1
201.01967	1.2
213.05548	0.6
215.03491	0.4
217.05110	1.7
223.04034	0.4
229.05103	0.5
239.03539	0.2
240.04301	0.1
241.05017	1.2
242.02316	0.1
243.03021	0.9
256.03809	0.4
257.04535	0.4
267.03021	0.5
284.03244	1.5
285.04047	100.0
286.04349	2.3
397.32996	0.1
429.08542	0.1
613.19287	1.0
614.36578	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	613.1563
Annotation	LITSEAEFOLOSIDE C
Peak:m/z	Relative Intensity
53.99372	0.4
57.03475	0.5
59.01381	7.1
59.23278	0.4
60.08622	0.4
61.98835	1.0
62.33871	0.4
65.00320	4.0
71.01379	1.1
81.03490	0.5
83.01395	2.9
88.98819	0.5
89.02492	0.5
91.01902	0.6
93.03428	3.7
96.95991	2.3
102.63592	0.5
104.18629	0.4
107.01394	6.6
108.02153	0.9
109.02930	9.8
117.03489	0.7
117.94296	0.4
119.05012	8.5
121.02908	0.7
123.04541	0.8
125.02420	13.3
133.02921	3.4
134.03705	0.9
135.04500	100.0
141.01682	2.2
142.34467	0.5
145.02928	2.0
149.06087	0.8
151.00345	32.8
151.03934	1.5
152.01144	0.7
153.01910	2.3
159.04495	13.1
161.02422	8.5
161.06003	4.0
163.03937	0.6
165.01883	0.5
173.04620	0.6
177.00339	0.5
177.01909	12.8
177.05496	0.7
179.03508	0.7
183.08073	0.5
185.06035	2.8
187.03978	6.5
189.01907	3.9
190.02750	0.6
191.05576	7.0
201.01897	0.6
201.05568	2.2
201.09212	2.9
202.99846	1.9
203.03465	0.8
203.07182	5.9
216.00626	0.7
217.01440	1.0
219.02863	0.6
229.05023	4.9
239.07040	0.8
239.68063	0.5
243.06647	1.1
245.08168	2.2
247.06000	0.7
255.02908	0.7
271.06213	1.0
273.43326	0.5
281.04645	1.9
285.04062	0.6
287.05612	11.8
289.07202	8.2
297.04001	1.1
297.10034	0.9
313.06985	0.8
320.51041	0.5
323.07907	0.8
339.05197	0.7
341.06564	10.3
391.11804	1.1
411.59668	0.6
433.09201	4.7
449.10861	14.8
451.10251	12.6
475.12106	0.7
499.34485	0.5
503.11160	0.7
595.14868	0.6
613.15466	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	613.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.2
68.55370	0.4
71.01378	2.4
81.21645	0.5
85.02940	2.9
87.00883	2.1
89.58509	0.4
93.03445	2.2
96.95989	0.7
99.00883	2.8
103.00374	1.1
109.02937	2.7
109.06591	6.7
111.00885	0.5
115.00348	7.0
127.03970	0.9
127.07635	100.0
133.02942	2.1
135.04503	2.0
139.00356	2.2
145.02959	0.7
149.06076	7.9
157.01350	0.6
158.31131	0.5
158.89113	0.4
159.03032	0.5
160.01643	0.6
161.02444	9.4
163.04007	0.6
165.00121	1.6
165.01752	0.5
167.01668	1.8
171.06618	57.6
175.02451	3.1
175.03903	1.2
177.01939	6.5
179.03545	0.6
189.05759	0.9
189.07730	2.1
191.05606	27.2
192.05859	0.9
192.99629	11.6
205.05171	0.6
206.02165	1.0
219.02953	1.7
231.08755	13.2
233.04561	5.8
237.04094	2.0
268.02557	0.5
275.07544	0.5
277.03491	9.2
305.73956	0.5
319.04608	2.9
320.04990	0.5
337.05679	3.3
337.09357	0.7
385.05954	5.2
404.00256	0.6
497.18588	0.6
568.32660	0.6
613.14117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92653	0.4
57.88623	0.4
58.80234	0.5
59.01387	0.7
63.67985	0.4
67.32926	0.5
84.17616	0.5
84.30638	0.5
85.02994	0.7
93.03452	1.3
95.05011	2.5
96.96002	0.5
104.98808	0.6
108.02164	1.1
109.02944	49.6
110.03262	0.7
114.75863	0.5
121.02927	2.5
122.03770	0.8
123.03638	1.0
123.04511	24.7
133.02940	2.1
135.04514	3.8
137.02393	1.1
145.02969	1.0
147.04489	0.8
149.02412	3.0
150.03232	5.8
151.03996	20.7
159.04521	0.7
161.02391	3.6
165.01875	0.8
165.05540	3.9
169.02930	1.3
177.01917	13.0
179.03465	0.7
181.04980	1.0
187.04010	1.1
189.01920	24.9
190.02713	5.1
191.03641	5.0
191.05615	6.2
192.31758	0.6
195.06531	0.7
197.02304	2.0
198.03218	0.7
201.01862	1.1
202.02737	2.4
203.03487	6.1
205.05116	0.6
211.03842	0.6
213.01894	2.3
213.05521	0.6
214.02701	3.9
215.03506	23.5
216.00578	2.3
216.03958	0.9
217.01413	22.9
217.04814	1.9
218.02179	0.7
219.03023	7.5
225.01845	0.8
229.01442	7.3
229.04990	0.9
231.02977	5.9
234.01634	4.4
239.03510	3.5
240.04276	0.7
241.01357	1.1
241.05040	1.1
242.02188	16.1
243.02963	11.5
245.04500	0.8
246.01608	0.9
253.04976	0.6
255.02870	2.9
257.04523	2.2
261.05389	0.6
269.00916	13.4
274.01193	16.9
279.06540	0.9
281.04343	1.0
284.03299	4.7
285.04074	0.7
293.04504	0.8
295.02426	0.7
297.04053	2.7
297.07440	0.9
307.05981	0.9
309.04019	10.6
311.05576	0.5
323.05566	9.8
324.06262	1.1
333.04141	1.0
337.03387	2.2
338.04340	0.7
339.04880	1.1
341.06638	53.1
342.07053	0.7
349.07089	2.8
351.05222	4.3
365.06433	0.8
367.08261	3.9
379.04694	5.4
393.06155	45.3
394.06360	0.9
417.15494	0.6
451.09854	1.0
461.08929	4.8
503.09830	100.0
504.09946	3.3
565.20721	1.3
613.13458	41.5
614.13336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15123	67.5
65.03693	68.1
80.14289	78.4
99.13374	79.4
112.62576	93.1
117.57677	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	613.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23097	0.4
59.01413	2.3
60.99335	0.4
61.98832	0.4
62.77966	0.4
67.61968	0.3
71.01389	1.0
81.03481	0.5
85.02979	0.7
87.00932	0.5
88.98788	3.5
89.02442	0.4
93.03435	3.2
95.05059	2.4
96.96014	1.0
103.11947	0.4
105.03462	0.5
108.02216	2.5
109.02940	55.4
113.02451	0.4
120.99689	0.5
121.02999	2.6
122.03767	0.8
123.04502	27.2
123.64560	0.4
130.00186	0.4
133.02937	3.4
135.04510	2.9
137.02498	0.4
145.02957	0.9
147.04568	1.9
149.02466	0.7
150.03281	1.7
151.00417	0.5
151.03995	16.6
159.04570	0.9
161.02414	5.7
163.04044	0.8
169.02966	1.9
173.06094	0.4
177.01920	11.6
187.03983	2.8
189.01915	29.1
190.02676	4.4
191.03529	4.6
191.05640	9.0
192.05962	0.7
197.02434	1.9
198.03174	0.8
200.04970	0.5
201.01912	2.1
202.02744	1.5
203.03523	6.6
211.04070	0.9
213.02103	0.6
213.05563	0.9
213.96210	0.5
214.02727	3.2
215.03500	24.3
216.00703	3.7
216.04300	1.7
217.01421	21.1
217.05121	1.8
218.02052	0.8
219.02983	5.3
225.02000	0.7
227.03502	0.8
229.01413	6.6
229.05070	2.5
231.02956	6.8
234.01736	5.0
235.02228	0.4
235.18571	0.4
237.05724	0.5
239.03494	3.2
240.04448	0.6
241.01434	0.9
241.04987	0.8
242.02196	13.3
243.02921	11.6
245.04526	0.9
246.01685	2.3
250.99341	0.5
253.05247	0.7
255.03055	4.1
255.06573	0.6
257.04602	1.7
265.05151	2.1
266.05450	0.5
269.00922	12.2
274.01187	17.8
274.04111	0.7
279.06790	0.6
281.04575	0.8
284.03217	5.9
285.04144	0.6
292.03708	0.6
293.04553	0.9
297.04077	1.0
299.05612	0.8
305.04532	0.8
307.06085	0.9
309.04074	11.6
311.05707	0.8
323.05533	8.1
324.06290	1.9
337.03384	2.3
339.05270	2.0
341.06653	42.5
342.07080	0.8
349.07147	3.4
351.05029	5.0
353.06787	0.5
365.06555	0.5
366.71146	0.5
367.08304	3.7
379.04651	5.0
393.06165	39.9
394.06598	1.9
412.19510	0.5
413.21790	0.7
451.04633	0.9
451.10278	9.4
457.34131	0.5
461.08759	5.6
503.09845	100.0
504.10233	2.5
613.13446	30.8
614.13641	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	611.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03434	0.6
57.70458	0.3
58.00586	2.0
59.01376	100.0
71.01372	41.7
72.99298	2.7
73.02909	0.8
79.69907	0.4
83.01388	2.2
85.02946	11.2
87.00853	0.9
89.02432	39.3
92.10154	0.4
95.01370	4.0
96.42374	0.4
99.00867	0.5
99.04508	27.1
101.02429	19.2
111.04531	1.0
113.02444	14.7
119.03484	12.4
121.06573	0.7
131.03441	0.6
136.63005	0.4
161.04510	0.5
162.19327	0.4
163.14929	0.7
179.05591	1.0
189.12814	6.2
191.05637	2.2
207.13895	50.1
208.14267	0.5
209.11879	0.8
233.11687	1.8
251.12872	53.7
387.20554	0.7
431.19205	60.5
432.19583	1.0
449.20169	1.6
518.78619	0.5
611.25531	73.6
612.25549	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.5
60.99300	18.9
65.21883	0.3
71.01371	3.4
73.02933	0.5
85.02944	3.3
87.00885	0.9
88.98794	100.0
89.02458	0.8
93.03424	0.6
96.95947	0.3
101.02457	0.6
113.02446	0.8
124.01596	0.5
127.04023	0.4
135.04561	0.4
191.05571	5.2
260.64920	0.4
269.21039	0.4
287.22366	3.3
431.26474	5.0
449.27505	4.0
473.27399	0.7
491.28699	2.2
500.17200	0.5
505.33884	3.2
523.34668	0.6
619.80042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68768	0.4
54.49083	0.4
57.18402	0.4
59.01374	2.5
59.82803	0.5
60.99309	0.9
65.00323	0.6
65.18602	0.4
67.01883	0.7
71.01376	3.6
79.05490	0.7
81.03442	34.6
83.01382	1.0
85.02946	2.7
88.98792	6.5
89.02434	0.7
93.03436	6.6
95.01402	0.9
96.96003	1.2
101.02443	1.2
105.03448	2.7
106.04208	4.0
107.01373	3.0
108.02180	0.9
109.02955	4.1
113.02428	1.0
117.03460	2.4
118.53454	0.5
119.05044	0.6
121.02943	2.1
122.03754	1.1
123.04503	96.8
125.02407	4.7
132.02155	17.0
132.03076	1.0
133.02963	5.4
134.03717	31.5
135.04510	11.2
137.02415	2.7
137.06084	0.7
138.03171	0.6
143.04977	0.5
147.04524	0.6
149.02431	17.5
149.06073	4.2
151.00330	2.8
153.01892	0.6
159.04497	0.6
160.01646	79.7
161.02444	12.2
167.03450	1.2
175.03983	67.1
176.04562	0.7
177.01958	1.0
178.02719	0.6
179.03471	3.0
185.06055	5.3
187.07671	2.3
191.05618	8.0
191.07179	0.8
193.05025	16.7
198.24884	0.5
211.07687	3.1
221.04500	0.6
225.05634	0.6
227.07162	6.2
229.08679	53.0
230.08937	0.9
255.06616	42.1
268.10736	0.6
273.07687	30.7
322.06970	0.8
323.07693	5.1
323.11212	0.5
331.95932	0.6
337.09268	8.3
381.21393	0.6
413.21649	6.4
438.19135	0.6
444.56738	0.6
477.64691	0.5
501.08255	1.0
611.17755	100.0
612.18549	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	609.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
57.03430	2.1
59.01086	0.9
59.01370	18.3
67.42458	0.4
69.03435	0.7
71.00977	0.8
71.01369	21.8
72.99287	2.0
73.02934	2.8
73.33616	0.3
75.00856	100.0
80.39809	0.4
83.01361	3.6
85.02940	6.2
87.00853	2.7
88.98794	0.8
89.02426	10.9
90.87733	0.5
93.03446	3.3
95.01378	0.9
96.95998	1.0
99.00850	2.4
101.02427	11.2
107.01368	0.6
109.02907	2.0
111.04470	0.6
111.08141	2.6
113.02443	7.5
117.01899	2.1
119.03461	2.8
125.02405	0.8
126.90372	0.5
129.01918	5.3
135.04436	1.7
143.55798	0.5
145.02902	0.9
150.07744	0.4
151.00336	1.0
151.03961	0.5
153.29120	0.5
160.26089	0.5
161.02443	0.5
165.01953	0.5
165.12822	22.5
177.01889	0.8
183.13879	19.9
187.03926	0.5
191.05582	12.6
191.10806	0.7
192.05855	0.5
209.11789	2.8
219.05037	4.0
227.12851	8.6
235.06044	0.7
237.06137	92.2
251.12849	0.9
255.03020	0.6
271.02585	1.0
281.08243	1.1
291.15112	0.5
300.02646	0.9
305.08099	0.6
429.17654	23.8
433.09164	4.7
447.18716	66.5
448.18698	0.7
489.19858	2.0
609.14709	1.4
609.23901	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.77336	1.0
98.64434	1.2
106.97128	1.2
107.01346	1.3
109.02946	5.2
112.23925	1.1
120.71032	1.2
133.02924	24.1
134.03780	1.5
135.04482	4.4
149.02397	1.5
151.03940	1.5
161.02324	1.6
162.21344	1.1
163.03983	4.2
175.03937	7.1
177.01917	4.9
177.05490	1.7
179.03528	1.3
191.03394	1.3
199.03896	1.7
203.03423	1.9
205.01497	2.0
211.03731	1.4
233.04449	1.5
241.05078	2.0
245.04463	1.8
246.13750	1.1
252.04297	1.1
257.04691	1.3
267.06458	2.4
269.04468	1.6
283.05972	5.8
285.03848	1.8
295.05981	2.0
297.04001	7.4
298.04736	18.8
299.05557	9.1
309.03964	1.9
310.04630	1.7
311.05582	17.4
312.06329	20.5
313.07095	19.1
323.05688	2.3
325.07050	2.1
327.05167	12.2
339.05106	27.9
340.05899	1.1
341.06613	13.9
344.05194	2.0
351.05075	2.2
353.06537	8.5
357.06125	5.9
369.06104	78.0
371.07492	1.7
381.06152	9.7
383.07553	1.8
397.05548	1.5
399.07208	60.6
400.07495	1.4
411.07098	12.2
429.08295	11.8
441.08124	2.7
447.09439	2.0
471.09000	1.8
489.10336	43.7
490.10654	2.0
519.11353	11.4
609.14606	100.0
610.14862	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94693	0.5
63.02386	0.8
65.00323	1.1
69.27290	0.5
71.41357	0.5
82.10951	0.5
92.10198	1.1
97.09362	0.5
107.01372	3.8
108.02162	0.9
109.02940	2.1
113.58987	0.5
118.70789	0.5
119.01355	0.6
121.02925	0.9
135.00864	0.8
148.01622	0.8
151.00351	14.2
155.49461	0.6
159.04443	0.7
163.00356	3.7
164.01184	0.7
178.99850	7.8
187.03996	0.7
211.04060	2.2
215.03404	0.7
226.02766	2.3
227.03477	2.4
229.05132	0.7
243.02963	14.3
245.04521	1.1
254.02188	2.6
255.02969	36.7
271.02457	73.8
272.03183	3.4
283.02344	0.9
299.01941	1.3
300.02737	100.0
301.03485	30.3
415.14359	0.5
424.20587	0.6
472.59586	0.6
480.54050	0.6
483.28760	0.6
505.48904	0.6
609.14648	66.9
610.15063	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.5
65.00330	0.8
65.78208	0.4
75.64836	0.3
80.54240	0.4
83.01384	0.5
107.01393	2.9
108.02163	2.6
109.02959	0.4
111.10178	0.4
120.23420	0.3
121.02936	2.1
124.86269	0.4
125.76775	0.3
135.00851	0.5
148.01683	2.0
149.02449	0.7
151.00352	11.3
163.00369	2.1
164.01073	0.7
171.04521	0.3
178.99847	4.7
192.00661	0.4
199.03952	0.6
211.04126	1.2
226.02718	2.2
227.03578	3.5
229.04982	0.4
243.02966	13.9
244.03737	0.6
245.04570	0.7
254.02213	3.0
255.02975	33.8
271.02466	72.8
272.03189	2.2
283.02466	0.4
299.01950	1.7
300.02747	100.0
301.03497	20.2
301.06311	0.3
469.50037	0.4
472.29477	0.4
609.14655	58.4
610.15039	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15047	2.0
59.01377	4.0
70.21459	1.9
75.05099	2.1
75.33397	2.4
78.43250	2.0
85.02993	2.6
88.23143	2.1
93.03443	12.7
96.95937	2.5
109.02933	4.2
116.66357	2.3
119.05016	2.9
122.07525	2.3
123.04491	3.9
125.02416	2.6
133.02913	21.4
134.03735	3.9
137.02412	2.8
158.06650	2.6
163.03981	9.1
166.83356	2.4
173.04518	2.7
175.04018	10.7
177.01949	5.1
177.05519	4.4
191.05598	57.3
192.05997	13.1
193.06113	3.5
202.30435	2.3
203.03462	3.0
205.01271	2.8
213.05508	4.1
215.03458	2.7
217.05125	2.5
245.04500	3.5
257.88641	2.2
297.03973	5.2
298.04776	20.3
299.05640	10.0
309.03870	2.7
311.05646	15.1
312.06442	23.1
313.07217	18.4
316.44717	2.1
327.05096	13.7
338.09592	2.9
339.05035	26.8
341.06525	15.3
344.05417	2.6
353.06818	3.2
356.74515	2.4
357.06393	3.7
369.06119	77.3
381.06174	10.8
399.07199	56.6
411.07288	11.1
429.08414	11.9
441.08252	3.4
471.09485	2.6
489.10327	51.2
519.11462	10.4
609.14685	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25228	0.8
55.01886	2.2
57.03453	5.5
57.19288	0.9
59.01379	100.0
61.98819	1.0
67.01901	2.0
68.16734	1.0
69.03454	1.6
71.01373	30.5
71.05043	1.2
73.02930	9.2
75.00864	4.3
76.49590	1.0
78.95882	1.2
82.95415	0.9
83.01383	6.8
84.95130	1.5
85.02938	24.0
87.00865	6.6
88.98792	6.1
89.02433	11.3
92.10833	2.8
93.03455	6.2
95.01383	2.4
96.35217	1.0
96.95978	4.8
97.02938	1.5
97.06567	1.8
99.00897	1.8
101.02422	20.7
109.02941	1.2
111.00889	1.5
113.02428	16.2
115.04012	1.1
119.03498	5.1
122.61256	1.0
123.08152	2.2
125.02438	4.1
135.04498	6.5
141.09230	1.4
141.12814	1.4
143.03493	1.4
153.12894	1.2
159.04361	1.1
161.04512	2.0
163.00294	1.6
169.12299	1.7
171.13847	6.5
176.57307	1.2
179.03448	1.3
187.13417	4.5
191.03983	2.1
191.05585	35.4
200.14253	2.0
243.06497	12.0
305.51257	1.1
325.15265	1.1
328.37900	1.1
334.42105	1.1
341.27017	1.4
344.18500	1.6
359.28052	14.5
362.19901	1.4
402.49658	1.3
445.24316	1.7
450.04990	1.7
487.09283	1.7
503.32224	82.9
504.32388	1.6
521.33282	40.6
545.33221	1.8
547.11456	2.1
547.28021	1.3
563.34271	13.8
607.26343	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	607.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
57.03444	16.4
59.01376	100.0
69.03451	3.1
71.01369	26.3
71.05019	1.1
71.11343	0.7
72.99308	1.2
73.02933	9.6
76.62147	0.7
83.01366	8.1
85.02936	21.1
85.03405	1.2
85.06591	1.4
86.00084	1.6
87.00871	4.7
88.98812	1.0
89.02429	3.5
93.03426	2.8
95.01369	4.7
96.96004	4.5
97.02960	1.3
99.00873	5.4
101.02422	19.1
111.00842	1.6
111.08134	1.1
112.01634	3.0
113.02444	12.7
119.03471	1.0
119.05029	0.8
124.01701	1.5
125.02415	1.6
127.11276	0.7
135.04503	4.5
137.09724	0.9
141.09196	1.1
143.03487	2.9
155.10802	1.1
159.03073	1.1
159.10263	3.0
161.04532	2.7
161.28474	0.7
173.11792	3.6
185.15460	6.0
190.86786	0.8
191.05585	11.0
197.15459	0.9
199.16968	3.9
229.18024	1.0
253.21722	1.2
294.33289	0.7
315.25241	5.2
315.62613	0.7
329.20111	0.8
359.28073	14.9
385.14075	0.8
450.04837	0.9
503.32266	97.2
504.32565	1.2
521.33307	52.3
545.33539	0.9
563.34320	18.9
607.27612	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	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35923	0.7
52.72820	0.6
54.75195	0.7
55.01877	1.9
57.03447	13.2
57.06386	0.8
59.01377	79.5
60.29818	0.8
60.99302	6.7
64.33303	0.7
64.87640	1.0
67.01866	1.3
67.47833	0.9
69.03448	1.6
71.01376	20.2
72.99290	1.0
73.02941	7.8
73.43375	0.9
75.00863	1.3
76.18092	0.8
78.95940	0.9
80.69427	0.7
81.03456	1.1
82.95398	10.0
83.01378	6.1
83.05066	0.8
84.95113	21.0
85.02943	20.9
85.45056	0.9
87.00878	3.4
88.98792	39.3
89.02448	4.5
93.03455	5.9
95.01374	3.6
96.95988	1.7
97.02979	1.1
99.00864	3.5
101.02440	11.9
102.11583	1.0
105.59592	0.8
107.04588	0.9
113.02431	10.2
119.03474	1.1
127.04006	1.4
133.02927	1.3
135.04530	9.3
141.09209	1.3
143.03488	1.1
149.04565	1.0
155.10704	1.4
159.10228	1.9
160.01648	5.6
161.02350	1.3
161.04535	1.2
170.64662	1.0
173.04474	1.7
173.11852	2.2
185.15427	1.9
191.05620	41.4
199.17038	3.9
261.55475	0.9
271.22607	1.0
285.04028	8.5
315.25415	1.6
320.72342	1.0
323.79889	1.0
341.27219	1.2
359.28116	15.4
414.42276	0.9
415.21179	4.3
445.24225	4.7
473.31232	1.1
503.32294	100.0
504.32416	1.6
521.33405	21.1
563.34802	7.1
607.27704	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	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35923	0.7
52.72820	0.6
54.75195	0.7
55.01877	1.9
57.03447	13.2
57.06386	0.8
59.01377	79.5
60.29818	0.8
60.99302	6.7
64.33303	0.7
64.87640	1.0
67.01866	1.3
67.47833	0.9
69.03448	1.6
71.01376	20.2
72.99290	1.0
73.02941	7.8
73.43375	0.9
75.00863	1.3
76.18092	0.8
78.95940	0.9
80.69427	0.7
81.03456	1.1
82.95398	10.0
83.01378	6.1
83.05066	0.8
84.95113	21.0
85.02943	20.9
85.45056	0.9
87.00878	3.4
88.98792	39.3
89.02448	4.5
93.03455	5.9
95.01374	3.6
96.95988	1.7
97.02979	1.1
99.00864	3.5
101.02440	11.9
102.11583	1.0
105.59592	0.8
107.04588	0.9
113.02431	10.2
119.03474	1.1
127.04006	1.4
133.02927	1.3
135.04530	9.3
141.09209	1.3
143.03488	1.1
149.04565	1.0
155.10704	1.4
159.10228	1.9
160.01648	5.6
161.02350	1.3
161.04535	1.2
170.64662	1.0
173.04474	1.7
173.11852	2.2
185.15427	1.9
191.05620	41.4
199.17038	3.9
261.55475	0.9
271.22607	1.0
285.04028	8.5
315.25415	1.6
320.72342	1.0
323.79889	1.0
341.27219	1.2
359.28116	15.4
414.42276	0.9
415.21179	4.3
445.24225	4.7
473.31232	1.1
503.32294	100.0
504.32416	1.6
521.33405	21.1
563.34802	7.1
607.27704	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	607.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21506	0.6
53.67950	0.4
56.20021	0.5
57.03442	0.8
59.01377	16.9
60.99318	1.0
67.01878	4.2
69.03458	1.0
71.01378	7.3
73.02963	1.0
75.00889	0.6
81.03480	0.8
83.01375	1.0
84.95123	1.0
85.02943	11.7
85.03423	0.8
85.30554	0.6
87.00857	6.6
89.02454	1.3
92.10157	0.9
93.03438	23.3
95.01369	0.9
99.00893	1.3
101.02434	3.1
108.47516	0.6
109.02942	1.0
111.00903	0.9
111.04501	4.5
113.02443	2.7
116.92876	1.4
121.02964	1.2
124.01628	3.5
125.02448	3.5
127.03998	0.9
132.02133	0.8
133.02942	2.5
134.03761	4.2
135.04507	72.6
137.02443	3.6
139.72037	0.5
143.03389	0.5
146.24191	0.6
150.03232	2.3
151.03992	9.6
160.01631	2.8
161.02420	3.2
161.04605	0.6
162.03131	0.6
165.12851	0.6
171.02980	0.7
171.10254	2.1
173.04559	7.4
174.03232	0.6
178.02750	0.8
179.03473	17.7
180.04254	0.7
191.05605	100.0
192.06001	0.6
196.40842	0.5
229.18007	0.8
301.33859	0.6
307.08350	1.4
308.09015	7.7
352.08041	7.4
353.08804	2.4
359.28159	0.8
377.03711	0.6
397.26828	0.6
415.21313	10.9
433.21942	0.9
445.24280	2.7
473.31400	0.6
493.23203	0.9
503.32147	11.5
521.33307	2.9
547.30170	0.8
607.27692	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	607.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.0
59.01376	38.3
68.64356	0.6
69.03450	1.2
71.01373	23.4
72.99299	3.4
75.00858	40.6
75.65213	0.6
83.01432	0.8
84.02153	0.8
85.02945	16.0
87.00863	9.0
89.02428	17.4
92.10828	0.7
95.01385	0.9
97.02930	1.5
99.00867	10.6
99.04471	1.1
101.02428	8.5
111.00873	3.3
112.01318	0.7
113.02454	5.8
119.03482	3.2
121.03288	0.7
129.01927	24.6
136.69440	0.7
141.01892	3.5
142.70171	0.7
156.27879	0.7
159.02960	8.6
161.13367	7.0
162.20299	0.7
177.04025	35.4
187.11293	6.0
191.05534	1.2
195.03275	1.5
195.05086	44.1
205.12325	7.8
229.12193	0.8
249.11311	1.8
324.02582	0.9
409.14902	2.7
427.16074	4.9
503.78897	0.8
518.54834	0.8
589.21387	4.4
607.22491	100.0
608.22919	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	607.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03446	7.6
57.54234	0.7
58.00583	0.9
59.01372	50.5
63.65810	0.8
69.03448	2.1
71.01369	36.3
72.99291	5.1
73.02928	0.9
75.00431	1.4
75.00856	40.2
75.58633	0.8
83.01379	3.9
84.02151	1.5
85.02936	21.8
87.00864	11.3
89.02424	22.5
92.10900	0.9
93.03460	1.0
96.95989	2.0
97.02921	1.1
99.00862	11.2
99.04493	2.0
101.02418	12.1
109.03094	0.7
111.00867	1.9
113.02425	6.8
115.04018	1.0
119.03477	4.1
120.90166	0.8
121.02947	1.2
129.01917	23.1
135.04498	1.6
141.01884	4.8
159.02962	10.0
159.04399	1.6
160.05246	1.9
161.13351	9.4
175.07597	3.3
177.04018	49.6
177.05458	1.9
185.09732	0.9
187.11270	8.4
191.05600	4.6
195.05083	38.0
205.12320	17.2
249.11307	6.9
269.08179	4.6
281.08072	1.0
283.09744	1.2
299.09235	4.3
303.06638	0.9
311.09155	6.1
314.11536	8.2
326.11575	3.6
327.20938	0.8
329.13895	23.0
341.13931	6.4
409.15118	6.8
427.15991	11.8
429.17685	1.9
474.43692	0.8
589.21509	6.2
607.22437	100.0
608.22198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82761	2.7
61.98820	3.3
70.44711	3.1
71.05001	6.3
75.16896	2.6
88.33990	3.2
92.10909	7.3
114.45070	3.8
119.64351	3.1
121.02948	4.5
161.36050	3.2
266.92093	4.0
286.11606	3.9
375.05945	3.6
382.28256	3.3
387.22650	4.0
465.30099	31.9
475.87820	4.0
483.31073	88.3
605.34802	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	605.4058
Annotation	MK 800-62F1
Peak:m/z	Relative Intensity
57.03444	0.9
59.01372	6.8
61.98829	4.1
65.08230	0.8
71.01368	1.4
88.98775	1.0
90.62817	0.8
92.10161	3.1
93.03478	1.0
96.95984	1.3
101.02389	2.9
101.98859	0.8
107.41344	0.8
113.02431	0.9
116.92850	3.7
130.44395	0.9
158.66954	0.9
187.55869	0.9
191.05684	3.0
228.06099	0.8
397.77893	0.9
447.13361	1.6
545.29480	3.9
605.40576	100.0
606.40991	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	606.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31757	0.5
59.01390	1.4
59.97239	0.5
61.98823	100.0
71.01385	0.8
84.18931	0.6
96.96016	1.0
116.92829	0.8
122.72589	0.8
135.68318	0.8
174.13695	0.7
191.05661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45977	4.2
59.01376	83.8
61.98824	100.0
68.39025	5.0
71.01376	60.3
71.05064	4.6
73.02939	20.5
78.95916	6.1
79.52383	5.4
83.01384	6.3
85.02942	32.0
85.55827	5.5
89.02437	22.3
89.10629	5.2
96.95975	10.2
101.02418	57.1
113.02422	25.6
116.92828	11.9
121.20768	5.0
144.73457	5.1
145.02988	5.8
161.04526	10.7
165.85678	5.0
188.11913	5.3
191.05554	26.5
198.84071	5.5
222.47260	4.7
268.87259	5.3
289.52197	5.2
383.24353	21.2
545.29498	45.3
545.35803	25.0
605.29626	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.7
56.11947	0.6
57.03458	2.9
58.00607	1.3
59.01383	100.0
61.98840	0.7
62.84778	0.6
68.25681	0.6
69.03468	1.5
71.01384	39.2
72.99313	1.5
73.02944	10.8
75.00908	0.8
78.95912	0.6
81.42088	0.5
82.95439	3.3
83.01387	6.7
83.01824	0.7
83.05063	1.1
83.32139	0.6
84.59805	0.5
85.02954	18.9
85.03474	0.6
85.06613	1.4
86.00085	0.6
87.00864	6.2
89.02443	10.8
93.03448	1.3
93.07069	1.6
95.01389	4.1
95.76163	0.6
96.96013	3.7
97.02959	3.5
97.06595	3.3
97.45707	0.6
99.00883	5.3
101.02433	23.0
111.00876	2.9
112.01656	0.8
113.02441	17.3
119.03496	3.9
121.10211	1.1
124.01643	1.5
125.02435	3.2
129.01938	0.7
135.04501	1.3
137.09724	3.3
141.12863	0.7
143.03482	4.2
151.11247	1.4
153.12949	0.7
155.10687	0.7
159.02972	1.2
161.04524	3.6
171.13887	3.8
179.03471	0.9
191.05585	6.4
200.14276	1.4
209.15604	0.6
227.16586	1.3
229.18103	1.4
229.31004	0.6
285.04022	1.2
321.24234	0.9
339.25421	2.8
344.18387	1.0
357.26495	5.3
362.19495	6.4
389.22055	3.0
391.23486	0.8
394.18353	1.3
465.28723	1.4
483.29666	3.1
501.30698	95.9
502.31085	1.6
519.31732	38.2
520.31927	1.2
539.12994	0.7
543.31488	0.9
545.19250	1.0
561.32611	5.7
605.26056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73534	1.9
60.58038	2.0
66.57233	2.0
66.77103	1.7
73.09748	2.0
74.34518	1.8
80.59072	2.0
100.49294	2.2
121.58914	2.0
145.02904	3.1
151.04468	2.1
163.58035	2.5
193.80933	2.3
449.50647	2.2
459.18069	3.5
473.20148	3.6
485.19110	2.5
486.20889	4.8
513.19336	2.4
514.20062	11.8
515.20264	2.4
525.95123	2.5
529.22461	100.0
531.27795	2.3
532.20569	2.9
533.22339	2.5
605.23889	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	605.2768
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
58.21138	0.7
64.34538	0.8
79.75742	0.7
88.96999	0.7
90.06060	0.7
125.80207	0.8
172.56177	0.9
359.25195	0.9
429.17111	3.0
430.17859	13.4
443.18384	0.9
444.19394	4.1
445.20313	100.0
446.20831	1.7
459.15762	1.4
459.21945	20.0
460.22476	4.9
487.21783	1.4
504.15778	0.9
504.21616	41.6
518.23181	10.1
519.23956	54.4
573.24683	1.9
605.27673	43.9
606.28467	1.1
634.95770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
57.03455	4.3
58.00589	0.9
59.01374	100.0
61.73353	0.8
69.03462	1.4
70.07037	0.8
71.01370	26.7
71.05022	1.5
72.99303	1.6
73.02924	8.5
74.06869	0.8
79.03098	0.9
82.95398	41.1
83.01382	5.3
83.05033	1.0
84.95118	5.0
85.02943	21.5
87.00856	7.5
87.04542	1.4
89.02415	11.2
93.03437	1.8
95.01382	4.9
96.95990	6.6
97.02950	1.8
97.06567	2.0
98.93740	0.9
99.00886	1.9
101.02417	17.0
111.00841	1.2
111.08129	1.1
112.01688	1.0
113.02437	20.9
119.03486	3.4
121.10198	1.0
125.02420	3.8
125.09744	1.0
133.02934	1.0
135.04527	3.4
137.02484	0.9
139.11243	1.0
141.12856	1.4
143.03467	1.4
171.13895	1.3
173.04549	1.2
191.05605	16.7
195.06622	1.7
200.14240	2.0
202.02432	1.2
217.04854	2.0
229.18188	1.1
270.40573	1.0
270.65881	1.0
321.24228	1.7
333.19446	0.9
339.25406	1.6
344.18320	1.7
357.26407	8.4
362.19406	4.7
443.23120	1.2
483.29517	3.6
501.30688	83.3
502.31287	1.7
519.31726	25.7
545.29962	3.3
561.32935	1.0
614.78296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63992	0.4
64.64349	0.4
92.63677	0.4
97.65585	0.4
364.68384	0.5
415.15634	0.7
416.17056	0.8
428.16986	0.6
429.17258	1.0
430.17966	2.4
443.18774	0.9
456.15866	0.9
457.20242	2.9
459.17926	4.2
469.20248	0.7
471.18652	1.7
472.18640	0.9
473.19794	6.3
475.21121	0.6
485.20099	3.6
486.21078	5.5
496.19229	0.9
499.17496	3.4
501.23993	3.8
511.21494	2.1
513.19391	3.7
514.20117	10.1
518.19769	1.1
528.21802	0.7
529.22461	100.0
530.22681	4.0
532.20911	1.0
533.21869	0.9
561.24976	0.6
573.21313	1.0
605.23621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.4
59.01374	18.8
59.73484	1.1
59.90060	1.2
61.98819	1.6
65.00314	13.7
66.91535	1.3
67.01883	1.8
71.01380	8.7
71.05038	1.7
73.02969	2.3
75.89175	1.3
78.95918	1.6
82.95430	2.5
83.01390	8.6
84.95087	1.8
85.02954	8.0
87.00896	2.4
88.98810	5.3
93.03436	15.0
96.95982	15.8
98.95568	2.0
101.02444	1.8
107.01373	26.1
109.02960	7.5
111.08162	12.0
113.02465	2.8
123.04545	2.5
125.02409	25.2
133.02943	10.0
134.03748	1.7
135.04504	100.0
137.02461	1.8
150.03232	2.2
151.00352	80.9
159.04546	2.6
160.01564	1.5
160.05286	8.2
161.02420	40.3
161.06003	2.0
173.04477	3.3
173.08174	14.4
175.07628	6.0
177.01933	12.8
177.05563	1.9
179.03471	2.1
189.01868	2.3
191.05611	27.6
197.08170	3.2
208.39476	1.3
211.09842	1.7
213.20296	1.4
215.09346	1.9
229.08479	2.1
243.06732	2.0
256.45462	1.5
257.10327	7.5
271.02188	1.4
273.11349	2.4
286.04340	1.8
287.05682	15.2
291.12317	5.0
297.34470	1.4
317.12390	2.1
329.13907	20.8
333.13556	2.4
382.68713	1.6
436.28394	1.4
479.15466	20.2
485.67783	1.5
491.32199	2.3
501.30933	7.0
551.83777	1.4
605.18402	40.1
605.26251	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	603.4052
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
52.23590	0.4
53.56776	0.3
61.22669	0.3
63.29762	0.3
78.27682	0.3
91.61156	0.3
94.80608	0.4
108.34875	0.3
116.81052	0.3
133.02927	16.7
134.03719	6.7
135.04488	5.8
137.02454	3.8
139.03987	0.8
161.02428	48.5
162.02898	0.4
179.03468	2.2
354.46915	0.4
446.54126	0.4
531.37854	0.4
579.01355	0.4
603.40546	100.0
604.40997	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4056
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
52.05900	0.5
74.16856	0.6
97.91614	0.7
110.09660	0.7
117.03439	21.3
119.05001	4.4
121.02938	1.0
145.02936	100.0
146.13457	0.6
163.04030	0.9
316.83292	0.8
337.47513	0.8
357.49429	0.7
502.38806	0.7
603.40564	82.1
604.40979	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
60.45354	1.4
60.99303	18.8
66.22435	1.4
67.11826	1.3
68.17840	1.2
71.05015	2.8
71.63483	1.5
72.74481	1.3
78.95901	1.6
87.00873	1.5
88.98789	100.0
89.02428	10.1
91.02711	1.4
109.07077	1.6
116.92831	9.5
145.02924	2.5
177.28035	1.6
191.05563	2.7
234.61679	1.4
285.80750	1.6
350.86417	1.6
359.96323	1.5
399.06717	1.7
447.34515	1.5
465.29883	7.7
483.31143	13.6
543.25543	2.2
543.33282	42.8
603.28925	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	603.3898
Annotation	Lasalocid C
Peak:m/z	Relative Intensity
58.96589	0.5
59.01366	8.9
71.01376	2.9
71.05026	1.1
72.99300	0.4
73.02941	0.5
73.17340	0.4
83.01405	0.6
84.54713	0.4
85.02977	1.7
86.00087	0.8
89.02441	0.5
92.10207	1.0
101.02405	3.3
122.55000	0.5
131.03482	2.8
171.96291	0.4
191.05635	0.7
280.77628	0.5
417.48505	0.5
543.36737	1.0
585.37909	12.0
603.39038	100.0
604.39606	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28047	0.3
51.08608	0.3
59.01379	0.3
71.05019	0.8
96.96001	5.0
96.96991	0.4
98.95573	2.2
99.92566	16.4
100.93347	13.0
115.92059	100.0
116.92094	0.8
116.92805	3.5
117.92454	0.4
132.92325	0.7
169.93088	1.8
191.05714	1.4
221.17540	0.4
230.50671	0.4
274.43347	0.4
411.32343	0.5
493.23962	0.6
503.33569	0.8
511.25034	0.5
541.26434	0.6
555.24408	0.8
559.27295	5.3
573.25244	45.2
574.25458	2.0
585.25409	0.6
603.26471	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	603.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82040	0.8
57.95013	0.6
59.01373	1.1
64.48496	0.6
66.37093	0.8
67.70160	0.8
71.01403	1.1
81.03452	32.9
82.95410	1.1
87.00871	0.8
93.03456	6.0
93.50717	0.7
95.01389	1.2
106.04223	3.4
107.01381	1.6
109.02976	1.7
122.03696	1.3
123.04503	100.0
125.02407	3.7
133.02934	1.5
135.04538	6.8
137.02385	1.0
138.03264	1.0
149.02448	7.8
151.00377	5.7
161.02437	1.2
161.79080	0.8
175.04033	1.0
183.13841	3.5
185.06035	1.1
185.11864	6.5
185.30779	0.8
187.07579	1.3
191.05592	4.3
206.83221	0.8
219.33907	0.8
227.07135	3.3
229.08678	74.4
255.06593	24.5
271.09338	0.9
273.07654	20.3
285.03983	21.0
349.26770	0.8
415.22144	0.9
603.24506	59.5
604.24768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
59.01380	10.9
61.98831	2.4
71.01397	7.5
73.02941	2.2
77.41971	1.5
78.95903	2.4
85.02941	4.0
89.02462	2.0
93.03445	9.1
94.03798	1.9
96.95979	15.7
98.95621	2.5
104.33129	1.7
109.02927	2.1
121.02961	20.1
122.03753	14.6
122.12502	1.7
126.80505	1.6
135.04497	8.5
137.02431	2.3
149.02434	46.5
149.06055	2.0
150.03217	100.0
151.00455	2.0
151.03986	1.8
154.99844	8.3
161.51682	2.0
164.04822	12.8
165.01926	13.1
165.05554	85.1
166.06345	74.9
177.01828	1.8
179.03447	15.8
180.04268	17.3
181.08691	27.8
182.38551	1.9
191.05618	26.5
191.07214	2.6
194.05905	3.1
195.06627	53.3
225.07762	2.4
262.66772	1.7
301.10855	2.0
329.10129	17.0
343.11877	7.6
344.12576	10.3
359.15012	31.2
373.12888	32.2
401.34750	2.0
421.14990	9.8
426.54089	2.2
472.98868	2.0
555.22058	13.0
571.02783	2.4
573.18970	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85225	0.6
51.94946	0.7
52.93336	0.7
59.01372	6.7
62.34185	0.7
71.01380	4.5
78.95903	1.5
85.02924	3.6
87.00855	1.1
89.02431	1.2
93.03446	5.2
95.05050	0.9
96.95982	8.8
109.02932	1.3
113.02413	0.9
121.02934	23.1
122.03716	13.3
133.02934	2.9
134.03688	1.5
134.81676	0.8
135.00859	1.5
135.04512	4.5
136.01656	1.9
137.02441	1.9
149.02432	43.3
149.06033	2.0
150.03204	100.0
151.03824	1.2
154.99818	1.4
164.04768	13.8
165.01901	14.6
165.05544	87.6
166.02657	1.6
166.06322	64.2
177.01842	0.9
177.05536	1.0
179.03505	12.8
180.04263	15.8
181.08672	25.7
191.05577	12.0
192.05876	1.2
194.05777	3.6
195.04813	1.7
195.06616	53.0
205.05046	1.1
210.05040	1.0
223.38858	0.8
225.07655	3.3
301.10696	3.3
320.22842	0.9
329.10254	13.7
343.11795	5.1
344.12708	11.3
359.14969	29.0
364.95505	0.8
373.12927	28.5
407.17163	3.1
421.14969	8.5
541.75922	1.2
555.22424	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	603.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91302	0.9
59.01390	9.8
59.78083	1.0
61.98820	2.0
67.22179	0.9
71.01378	6.7
75.90726	1.0
78.95883	1.2
82.36964	1.0
83.01354	1.1
85.02949	5.1
85.56927	1.1
86.86735	1.0
88.98798	2.3
89.02435	2.2
93.03439	5.8
96.95998	4.7
96.96958	4.6
101.02443	2.3
107.05017	64.2
109.02975	1.8
115.92080	2.4
116.92839	2.7
121.02934	29.0
122.03715	42.6
124.01610	5.1
135.04491	2.0
137.02411	8.2
138.02835	1.1
150.03185	5.3
151.03998	2.7
154.02707	8.0
173.04448	1.6
182.02217	9.6
185.11859	4.6
191.05571	17.2
193.58192	1.5
209.06012	1.7
211.07555	5.1
217.01440	1.6
227.07127	2.6
229.08685	98.3
255.06569	2.5
263.07623	1.2
273.07663	34.9
518.32587	1.8
523.06940	1.2
603.24451	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	603.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01028	1.6
53.31847	1.5
59.01384	24.9
66.76104	1.6
71.01389	4.4
78.95884	2.6
81.03449	24.0
82.95435	2.4
83.01386	3.5
85.02962	9.1
87.00884	4.1
87.57402	1.8
88.98807	2.8
89.02448	2.4
93.03435	14.3
96.96011	20.0
96.96972	3.2
98.88055	1.7
98.95574	3.4
99.04420	2.1
101.02403	2.3
107.05017	2.4
109.02946	2.3
115.92039	3.6
119.05003	27.8
121.55067	2.0
122.03738	2.5
123.04515	49.4
125.02427	13.5
132.91769	2.0
135.04512	3.8
137.02477	2.1
140.81860	2.2
151.00307	2.5
163.03918	1.9
167.03481	100.0
179.03453	6.8
181.05095	2.2
189.01944	2.8
189.05479	2.7
191.03516	9.3
191.05582	26.6
192.05923	3.3
209.04507	2.4
217.01483	3.9
229.08565	2.9
251.35251	1.9
273.07660	98.5
297.07635	19.8
315.08820	6.8
423.77081	2.3
505.34579	2.5
603.24622	21.0
603.39215	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	603.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83405	1.5
55.01899	3.0
57.03460	13.5
59.01381	100.0
61.98814	2.1
67.01895	2.4
71.01379	42.8
72.99328	3.2
75.00867	4.3
77.41628	1.6
78.72852	1.8
78.95902	8.6
83.01397	8.4
85.02937	19.6
87.00871	4.5
89.02428	36.0
90.49819	2.1
93.03466	4.0
95.01351	2.3
96.96017	8.9
99.00884	8.2
99.04507	4.5
101.02431	17.0
111.00896	13.9
111.04498	3.9
113.02417	12.8
116.92799	2.4
119.03461	12.8
125.09728	2.0
129.01915	34.5
135.04559	3.5
147.02977	78.3
149.02431	7.8
150.03197	20.2
161.04620	1.8
161.13287	16.5
165.05560	22.5
173.04636	2.5
179.05615	2.3
185.09769	2.0
187.11276	44.4
189.43672	1.9
191.05577	27.5
195.06627	11.9
205.12349	25.0
212.95032	2.2
229.12315	4.0
231.10333	2.3
243.06635	3.2
247.13406	2.9
249.11432	17.1
295.04910	2.0
316.45596	2.1
335.15060	4.1
361.12723	3.1
379.13937	53.4
411.16660	3.4
429.17847	3.8
541.19434	4.3
559.20435	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	21.2
58.00615	2.2
59.01384	100.0
59.01674	3.7
67.01900	3.2
71.01372	41.3
72.99296	3.0
75.00871	3.7
78.95936	2.4
82.19040	2.0
83.01398	4.1
85.02940	27.5
87.00893	3.3
89.02429	36.6
89.02888	2.4
92.14939	1.7
93.03445	4.6
96.95996	16.9
96.96944	1.9
98.64301	1.8
99.00883	9.7
99.04515	3.9
101.02437	18.6
104.85371	1.9
111.00867	11.6
113.02448	12.3
119.03465	12.8
119.93841	2.0
129.01920	34.5
137.02478	7.3
147.02979	82.0
157.06555	2.8
159.08109	2.0
161.04521	2.5
161.09671	2.3
161.13327	26.4
165.01978	2.3
179.19397	2.0
187.11284	59.7
191.05580	21.1
195.06699	2.9
205.12337	34.4
211.27266	2.0
229.12254	9.4
231.10226	4.1
247.13124	2.4
248.31949	1.7
249.11256	19.6
307.24585	1.9
335.15027	4.7
351.14682	3.1
379.13989	48.0
411.16513	9.5
429.17462	3.9
541.18939	2.5
559.20386	27.2
574.49005	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	603.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31776	0.4
51.58327	0.4
51.72986	0.4
59.01371	3.3
70.34364	0.4
71.01363	1.9
76.92689	0.4
80.91665	0.5
82.95402	35.0
84.93841	0.5
85.02940	0.6
93.03451	0.8
96.95988	16.3
97.95899	0.4
98.95573	8.5
98.96303	0.6
99.92562	15.1
100.93333	3.3
111.04465	0.5
115.91226	0.9
115.92052	26.9
116.92831	100.0
117.92840	1.1
141.93681	0.7
156.92294	0.5
184.91841	1.0
191.05611	8.4
213.05673	0.5
253.05324	0.6
283.13397	0.7
437.04199	0.6
437.26935	0.5
517.17517	0.9
559.18530	5.1
585.23511	0.7
603.17542	18.7
603.25891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
60.65994	0.3
66.04467	0.4
69.56074	0.3
71.01382	0.6
72.99321	0.5
74.00921	0.5
78.95892	0.3
80.91717	0.4
82.95419	14.2
82.95896	0.6
85.02947	0.6
88.01744	0.3
90.20327	0.3
92.49500	0.3
96.96003	14.1
98.95588	9.2
98.96397	1.7
99.91911	0.6
99.92576	15.7
99.93203	0.7
100.93338	4.2
115.91228	0.6
115.92065	25.4
116.92847	100.0
117.92818	0.8
119.03502	0.3
141.93611	0.4
142.94382	0.6
144.71936	0.3
147.85884	0.3
156.92311	0.4
158.93921	0.4
164.73834	0.4
184.91820	0.8
191.05617	5.0
253.05441	0.4
253.42775	0.4
287.05780	0.4
321.11768	0.7
481.15179	1.5
499.16153	0.7
517.17261	1.6
523.16858	0.6
524.28119	0.4
559.18475	4.5
585.23920	0.8
585.73608	0.6
603.17523	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	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37842	0.5
59.90502	0.4
61.98823	100.0
73.62093	0.6
92.10098	0.8
304.04538	0.6
376.98148	0.6
535.80969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.5
55.47704	0.6
56.53294	0.7
57.03451	3.1
59.01375	100.0
67.01878	0.9
67.87714	0.8
68.60960	0.7
69.03467	3.4
71.01372	40.6
73.02937	19.8
75.00884	1.0
75.80763	0.7
76.81069	0.9
83.01389	12.3
85.02939	26.9
87.00885	5.4
89.02431	7.7
93.03476	4.0
95.01405	4.5
96.95993	3.5
97.02968	4.3
99.00871	7.2
101.02415	31.4
101.03021	1.5
107.05058	1.0
109.02980	0.9
111.00897	1.5
113.02434	24.3
119.03429	0.9
119.05013	1.9
125.02429	5.8
131.03487	1.2
131.04987	0.9
135.04486	1.7
137.02466	1.7
143.03510	5.5
155.03461	1.2
159.02989	3.4
161.02470	1.0
161.04535	13.1
163.03944	1.2
191.05608	16.1
203.07178	1.3
269.10257	11.9
311.11243	3.8
413.14600	15.6
431.15543	17.5
455.15735	6.6
473.16653	51.8
474.17419	1.0
515.17627	10.8
564.91852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95516	0.2
59.01375	2.6
71.01373	0.5
72.99279	0.4
73.09797	0.3
82.95413	11.4
84.93876	0.5
85.02946	1.3
93.03431	0.5
94.67978	0.3
96.95992	17.5
97.95947	0.3
98.95582	9.8
98.96416	1.4
99.92570	14.2
99.93204	0.6
100.93338	3.1
115.91226	0.5
115.92062	23.9
116.92844	100.0
117.92841	0.7
133.72910	0.3
135.04475	0.4
141.93608	0.5
142.94359	1.6
151.00336	0.4
151.18729	0.2
156.92517	0.3
184.91815	0.6
191.05614	4.8
208.86952	0.3
253.05316	0.5
259.96149	0.4
321.11389	0.5
463.15143	0.4
481.15173	1.5
517.17383	1.7
523.16174	1.4
559.18427	5.0
585.23535	1.1
603.17505	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	601.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08520	0.3
51.38398	0.4
54.28529	0.4
66.50069	0.4
76.39600	0.5
78.95871	4.2
92.20188	0.4
96.96002	4.7
96.96939	6.4
98.95592	2.4
99.00861	0.7
99.92567	14.6
99.93196	0.6
100.93358	9.5
115.92059	100.0
116.92100	1.3
116.92846	4.0
117.92465	0.5
129.04985	0.4
130.28014	0.4
132.92383	0.6
151.74352	0.4
161.45976	0.4
191.05621	0.6
296.12466	0.6
477.01416	0.5
539.24573	0.6
583.23608	0.7
601.24750	45.2
602.24695	1.1
615.21936	0.5
616.85217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15296	0.5
59.01369	0.8
59.73398	0.6
61.98812	0.5
76.55424	0.6
76.92699	0.7
78.95881	4.8
84.95132	1.3
85.78069	0.6
93.05241	0.5
96.95995	5.0
96.96936	4.8
98.95571	1.4
99.00860	1.2
99.92572	8.5
100.93336	8.8
115.92057	100.0
116.89904	0.8
116.92087	1.0
116.92838	3.2
122.88149	0.6
169.62207	0.6
185.22470	0.6
191.05544	1.4
192.18471	0.6
242.68571	0.7
369.29895	0.6
390.05560	0.6
427.94568	0.7
461.60275	0.7
501.31998	0.7
509.23700	0.7
571.23462	2.3
601.24780	37.3
602.25433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
60.48957	0.1
65.63799	0.1
71.01386	0.3
72.89087	0.1
76.11021	0.2
78.95893	5.9
79.95718	1.6
85.02964	0.3
93.03468	0.8
96.96000	100.0
96.96898	7.1
109.02929	0.3
116.92923	0.3
120.60818	0.2
125.09743	0.2
125.77252	0.2
133.02896	0.4
135.04491	0.4
142.03032	0.2
169.37923	0.2
189.01968	0.4
191.05560	2.1
209.11740	0.2
217.01312	0.3
227.07098	1.7
240.82083	0.2
271.06161	0.3
409.31088	0.3
427.31787	0.3
511.75204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16623	1.4
55.08271	1.3
59.01372	2.7
59.52214	1.4
61.98835	2.7
78.95904	47.3
79.11445	1.6
79.95731	1.8
82.95425	3.6
84.95103	1.4
86.60725	1.7
88.46846	1.4
96.96000	100.0
96.96954	74.5
98.00725	1.6
99.92554	1.8
104.90571	1.4
110.19901	1.5
111.61214	1.6
115.92052	9.7
116.92829	3.6
124.31680	1.7
124.75554	1.7
131.17046	1.4
191.05551	3.4
248.04968	1.6
262.27072	1.9
319.44675	1.6
441.33527	2.2
485.33060	2.1
503.33734	27.7
504.34018	2.3
601.24701	3.1
601.33258	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	601.3746
Annotation	UNII-HKA5772VF6
Peak:m/z	Relative Intensity
53.29964	0.4
57.03442	0.8
59.01374	14.1
61.98825	1.2
62.44003	0.5
71.01375	3.5
73.02933	0.8
78.95903	1.0
80.33865	0.5
83.01388	0.7
83.05029	8.4
85.02951	3.4
86.00075	0.6
87.00876	0.5
89.02439	1.3
92.10147	1.2
93.03418	0.8
96.95985	2.4
96.96941	1.2
99.00845	0.9
99.92578	2.3
100.93346	0.8
101.02406	5.6
114.36749	0.6
115.92059	16.8
116.92847	3.3
120.06046	0.6
122.21388	0.6
131.03503	3.7
137.02415	0.8
171.10168	0.9
174.01582	0.6
191.05624	5.4
225.61176	0.5
234.56253	0.6
277.60791	0.6
283.71191	0.5
337.03357	0.9
571.36450	3.3
583.36426	14.5
589.37604	0.7
601.25507	3.6
601.37506	100.0
602.38123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02911	2.7
51.77786	2.9
59.01372	89.8
60.57100	2.8
61.00466	2.7
61.98822	16.4
71.01359	38.0
71.05013	4.7
78.95906	6.0
82.95391	3.9
83.01379	3.9
85.02929	17.7
85.39603	3.2
85.95558	3.4
89.02417	30.4
92.10935	5.9
96.95965	29.0
96.96967	14.4
101.02415	16.4
106.13290	3.6
109.02966	3.4
113.02402	7.2
115.07587	5.1
116.86571	3.4
116.92790	6.1
119.03458	7.5
127.11256	14.2
135.04482	6.5
147.19185	4.0
149.80702	3.8
156.10263	5.4
165.12820	17.3
169.12347	15.0
179.03459	3.6
183.13921	13.7
184.56401	3.4
191.05594	35.5
202.54439	3.8
206.86617	3.4
217.01263	4.2
223.26521	3.5
224.16591	6.8
226.17990	6.6
227.12935	4.1
237.18648	5.4
324.21664	3.9
379.23727	4.0
422.29105	100.0
555.70612	4.1
583.39850	4.2
602.36108	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	601.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64340	1.3
58.86490	1.3
59.01377	7.4
61.98838	2.7
64.03432	1.8
64.33299	1.4
65.65120	1.5
71.01375	1.5
76.56177	1.7
78.95892	8.0
83.42457	1.4
85.02919	1.6
92.63976	2.1
93.03447	6.2
96.95998	56.1
96.96918	13.9
106.11971	1.5
106.96003	1.5
107.05019	60.4
109.02937	1.8
111.26981	1.6
116.92862	3.5
121.02942	34.2
122.03729	41.9
124.01688	2.1
135.04539	1.8
137.02489	3.5
150.03220	10.3
150.98967	1.7
154.02702	7.5
177.39256	1.6
182.02187	9.6
189.01898	2.9
191.05595	7.3
196.03531	1.8
211.07628	3.5
213.43648	1.5
217.01335	3.0
227.07216	2.1
229.08688	97.5
255.06616	7.0
273.07733	35.6
440.98706	1.8
503.34259	9.0
601.22974	100.0
601.32178	3.7
602.23187	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	601.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79367	0.4
59.01380	2.1
65.03966	0.6
67.01872	0.8
69.03439	0.8
74.82349	0.4
75.69436	0.4
81.03442	31.0
85.02956	0.5
92.10079	0.8
92.63493	0.4
93.03439	6.0
96.95990	20.2
106.04236	4.5
107.01368	0.7
108.02169	0.6
109.02962	3.3
122.03703	2.7
123.04500	100.0
137.02417	1.0
138.03212	1.0
139.11241	0.7
149.02422	7.1
149.33041	0.4
153.01988	0.5
181.55473	0.4
183.10251	0.5
185.06029	2.9
187.07570	0.5
191.05530	2.7
202.59886	0.5
211.07715	0.7
227.07086	2.7
229.08676	76.4
230.09050	0.9
233.03224	0.5
255.06602	27.3
273.07669	17.4
338.42242	0.5
382.91290	0.5
601.22913	63.6
602.22980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22499	0.1
50.32434	0.1
50.78038	0.1
54.48271	0.1
59.01372	4.7
63.76729	0.2
71.01371	0.9
73.02917	0.2
77.09528	0.2
78.95902	1.0
79.95728	1.3
80.91660	2.1
81.23508	0.2
85.02941	0.7
89.02428	0.3
93.63687	0.2
96.95990	100.0
101.02430	0.7
113.92596	0.3
114.93411	1.8
116.92859	0.2
188.05312	0.2
191.05585	1.4
291.02393	0.2
382.96588	0.2
397.23746	0.2
399.23819	0.7
417.25024	0.8
459.26010	0.4
476.78818	0.2
585.24097	0.2
601.17688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.6
60.71017	0.7
61.33579	0.7
61.98830	0.9
67.01865	1.2
71.01385	3.8
73.02924	0.7
78.95897	5.0
85.02946	1.5
87.00884	1.2
88.01555	0.7
89.02437	1.3
93.03441	7.1
95.04955	0.7
96.95985	27.4
96.96957	5.0
101.02425	1.4
107.05011	72.2
109.02964	3.1
113.02391	1.1
116.92827	1.2
119.04979	1.6
121.02075	1.0
121.02939	30.7
122.03719	47.2
124.01649	4.5
133.02910	6.5
135.04494	4.6
135.08115	0.8
137.02406	8.0
150.03232	6.2
151.00455	0.8
151.03993	3.8
154.02681	8.1
161.94725	0.8
171.47061	0.7
173.04564	0.9
177.01881	0.9
182.02150	5.8
189.01854	1.0
189.69991	0.8
191.05611	10.2
209.11836	4.8
211.13377	1.8
217.01396	6.8
227.07111	4.1
229.08682	100.0
230.09012	1.0
241.08598	0.8
255.06602	3.5
271.06039	1.5
271.09448	0.8
272.06714	1.4
273.07681	47.3
274.08188	1.0
321.23911	0.9
327.05008	2.7
336.53558	0.7
340.76114	0.8
351.07214	2.9
435.12869	3.0
503.33600	1.3
601.22906	87.6
602.23419	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56873	1.0
53.53057	0.9
58.68063	1.1
59.01374	100.0
59.03232	0.9
68.94925	1.2
83.94640	1.1
92.10164	4.6
113.12216	1.1
151.67851	1.1
209.11829	15.3
255.23276	22.8
333.13712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22173	0.7
61.98827	100.0
64.35017	0.6
75.65945	0.7
175.42392	0.8
195.81242	0.8
200.60962	0.7
241.38911	0.8
303.67297	0.7
477.88306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08951	1.7
54.67328	1.9
55.01865	2.2
58.92535	1.8
59.01386	63.5
71.01379	34.3
80.70606	2.0
81.52763	1.8
83.01382	3.3
85.02946	14.0
87.00864	2.9
89.02422	37.1
90.37500	1.9
93.03448	4.7
96.96001	14.2
101.02425	16.6
104.13607	2.3
113.02442	16.6
119.03484	15.1
121.02947	5.0
122.03692	19.8
135.04485	4.0
137.06036	3.0
143.30170	2.3
149.02431	40.2
150.03210	100.0
161.02448	2.3
161.04501	2.7
164.04803	4.9
165.05548	87.8
177.01926	46.4
179.05522	3.7
180.04256	8.3
191.05611	27.5
192.04327	19.6
195.02855	2.6
195.06598	28.0
204.23132	2.6
207.06653	4.1
210.05258	2.6
210.91351	2.0
225.07715	10.6
230.16464	2.5
331.11829	12.2
337.65710	2.3
387.13043	10.6
391.14087	8.8
478.48068	2.1
553.19415	37.0
601.21533	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
59.01374	49.4
61.98838	19.0
71.01352	37.8
72.99318	3.9
73.02951	6.9
74.02480	6.4
78.55330	3.6
81.26796	3.6
83.01402	5.6
85.02959	27.1
87.00877	5.1
87.04494	90.6
88.63673	3.7
89.02414	14.9
93.03459	6.6
94.92490	7.2
94.98064	35.0
95.01366	4.8
96.96029	5.7
99.05638	4.7
99.59597	3.4
101.02425	41.9
101.43208	4.6
113.02458	16.2
113.30052	3.8
119.03520	3.6
123.04429	4.8
126.14424	4.1
128.03534	17.3
143.04614	31.7
153.06760	4.0
161.04471	4.6
191.05588	51.7
210.08635	4.7
273.09100	4.6
306.07678	22.6
307.08002	8.5
307.17676	8.3
317.77609	4.3
377.21857	8.8
442.21283	4.4
539.27094	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	599.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81298	1.5
57.87868	1.5
59.01385	1.6
61.91864	1.7
61.98825	11.5
64.59322	1.6
78.95889	63.6
82.95444	4.1
92.10822	5.0
96.96003	31.7
96.96937	100.0
100.14179	1.5
104.13869	1.6
113.92655	2.1
148.07953	1.8
155.08621	1.6
168.09453	1.7
173.58432	1.6
176.99619	1.4
191.05612	2.4
389.20566	1.9
453.30139	3.0
471.31036	3.6
483.31131	2.7
501.32233	48.7
502.32684	3.4
503.32730	2.8
599.23016	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	599.326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46296	2.4
58.87425	2.5
59.01379	31.7
59.32121	3.1
61.98820	6.4
66.34778	2.6
70.85042	2.4
71.01390	3.1
71.31105	3.1
72.61780	2.3
78.95898	10.6
84.95126	5.2
85.02930	2.9
94.57426	2.9
94.98073	4.3
96.95987	42.7
96.96949	18.8
109.12799	2.9
116.26360	3.1
116.92806	3.0
191.05605	13.3
194.35657	3.2
360.64618	3.6
441.33551	6.0
457.33044	5.4
485.32330	5.8
503.33759	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	599.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21770	0.5
57.01654	0.5
59.01375	3.9
59.94158	0.6
60.99314	1.2
61.98836	3.9
71.01384	1.0
78.79266	0.6
85.02934	1.5
88.98785	5.5
92.10763	2.0
93.03449	3.8
96.95982	14.5
96.96944	0.8
107.01435	0.7
109.02955	1.4
119.03401	0.8
119.04917	1.1
132.02100	1.0
135.04482	5.0
142.27098	0.6
151.00337	4.5
151.04028	1.0
153.01898	1.3
160.01675	6.8
180.07872	0.9
185.11922	0.9
191.05612	11.8
192.05818	0.8
199.04066	0.8
211.03941	1.3
212.41266	0.7
223.10049	0.8
227.03563	1.2
240.03848	0.8
242.09488	6.2
242.23709	0.7
246.08951	0.8
257.11728	4.6
258.08868	2.7
268.07379	1.2
269.08179	3.1
269.11465	0.7
270.08994	16.0
271.05887	1.0
281.04669	0.8
282.08801	2.4
284.06888	4.3
285.11340	17.8
286.08487	6.1
287.05295	0.8
295.09470	0.8
296.07101	1.0
297.07629	0.9
298.08438	7.1
299.09241	11.9
301.10770	5.5
310.08441	3.6
311.09247	8.0
312.09930	0.9
313.10773	6.8
314.08008	17.6
323.09152	1.2
324.09912	3.0
325.10785	6.9
326.07901	7.1
326.11569	2.8
329.10327	43.0
339.12238	1.3
340.13184	1.3
341.10300	48.0
341.24445	0.7
342.10428	0.9
344.12640	62.4
355.11819	1.0
356.12656	22.8
359.14996	100.0
360.15396	1.4
371.14987	67.8
372.15445	0.9
581.22296	1.0
582.25244	0.8
599.24841	6.1
620.71039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	62.1
62.51800	0.5
85.02923	1.8
88.03654	0.5
92.10208	1.6
93.03438	3.0
96.95988	19.9
105.03419	0.5
108.02122	0.5
109.02950	0.7
111.04526	0.6
117.35111	0.6
119.05011	0.5
121.02914	3.0
122.03719	1.2
123.04520	0.5
133.02956	0.5
135.04454	0.7
137.02518	0.6
147.04524	0.7
149.02428	64.9
150.03210	19.2
161.02429	0.5
164.03511	0.8
164.04791	15.6
165.05559	20.8
166.06306	2.3
167.07097	3.4
179.82941	0.6
180.04240	2.5
181.08632	0.8
191.05614	12.7
195.06627	9.2
279.30508	0.6
283.09744	4.2
285.11322	0.6
314.11603	34.1
327.08722	0.7
329.13940	100.0
330.14471	0.8
377.16046	39.0
383.06549	0.6
519.42761	0.6
576.81219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03441	0.8
58.00593	2.7
59.01377	100.0
60.96246	0.5
65.76486	0.5
67.11640	0.5
71.01376	54.9
72.99306	3.2
73.02943	2.0
75.00872	0.9
76.61017	0.4
83.01405	2.0
85.02945	11.2
86.12659	0.4
87.00875	3.0
88.98779	0.6
89.02438	66.7
89.55780	0.5
92.63579	0.5
93.03442	2.7
93.85166	0.6
95.01370	5.8
96.96013	4.3
101.02431	24.2
109.03016	0.7
113.02440	21.2
113.58877	0.5
118.28274	0.6
119.02679	1.1
119.03482	22.6
121.02934	3.0
123.04498	1.1
131.03427	0.9
133.02936	0.6
143.03470	5.6
145.02895	2.3
149.02409	2.3
149.04570	1.3
161.02409	3.1
161.04558	6.8
162.03195	11.2
165.05569	0.7
166.06326	7.2
173.04526	0.7
177.05521	3.4
179.03983	1.0
179.05580	30.0
181.08701	2.5
191.05586	10.6
195.06631	0.7
225.14922	0.6
238.06166	0.5
461.63593	0.6
539.21411	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	597.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81420	67.9
55.98829	68.7
61.22803	68.1
96.66036	74.3
119.23215	97.3
147.45265	93.2
472.36636	100.0
577.27655	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81947	27.8
62.32197	24.9
65.37276	26.5
66.92016	20.6
72.43408	24.1
80.14449	22.0
116.92839	100.0
249.49936	24.1
253.53146	28.5
364.06064	30.4
620.19629	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	599.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.4
59.01673	1.8
71.01372	21.0
72.99254	0.9
85.02952	6.5
89.02417	23.1
89.02891	1.4
91.44303	1.0
93.03432	17.8
95.01362	1.0
96.53802	1.0
96.95994	16.3
101.02425	13.1
108.48977	0.9
113.02444	8.6
119.03495	9.3
119.66827	0.9
119.68948	1.0
131.49170	0.9
136.01627	5.3
137.02423	100.0
151.03989	1.7
168.38083	1.1
179.03494	19.8
191.03517	1.1
191.05556	7.2
209.04524	2.1
239.05600	9.0
299.07721	89.3
300.07895	1.6
412.99265	1.2
459.58676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2314
Annotation	Beilschmieflavonoid B
Peak:m/z	Relative Intensity
54.82022	1.5
59.01381	23.5
59.21243	1.4
61.65854	1.5
61.98832	7.2
78.95901	10.5
82.65478	1.6
84.95119	1.9
85.02966	2.1
96.95999	10.1
96.96933	18.8
99.00849	2.1
99.92571	34.5
100.93333	11.6
115.91227	3.2
115.92064	100.0
116.92079	2.8
116.92847	41.2
134.84575	1.6
149.85751	1.9
163.62877	1.8
168.50520	1.6
191.05595	2.6
216.22485	1.9
256.26181	2.2
268.76877	1.7
360.08545	2.1
370.56699	1.7
436.33447	1.7
473.16498	6.3
499.30835	3.1
501.30853	1.9
551.21704	2.0
555.28198	2.3
569.22351	8.2
599.23181	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72760	0.9
60.25015	1.2
60.61358	0.8
63.54728	1.0
66.13914	0.8
67.06227	1.0
69.97478	0.9
71.05009	1.7
92.10073	2.3
94.92467	1.7
94.98110	1.3
96.17727	1.0
96.96058	1.1
98.50301	0.8
101.06053	1.2
103.65672	1.0
119.07568	0.8
132.57329	1.0
147.12378	1.1
151.52774	1.0
176.18803	1.0
178.05667	1.0
199.90544	1.0
218.05698	1.2
247.65207	1.0
340.74982	1.2
379.29895	1.9
391.30054	5.8
409.31219	3.9
471.31335	1.2
483.31207	10.5
501.32254	100.0
502.32498	6.5
503.32816	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	597.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81874	1.3
59.01374	13.7
61.98836	3.3
67.02676	1.4
72.86759	1.4
75.77131	1.3
76.56438	1.4
78.14166	1.4
80.91643	2.0
84.03925	1.3
92.10880	3.8
94.98055	7.3
96.96024	1.8
108.82086	1.5
144.38304	1.5
151.00418	1.7
165.89973	1.7
229.76816	1.6
244.01294	1.7
262.41812	1.4
280.01376	1.5
320.63025	1.6
363.27222	2.0
377.28546	3.5
379.30011	2.6
391.29929	3.4
409.31079	24.8
427.32184	2.8
435.87659	1.6
437.92709	1.9
453.29987	9.6
455.31973	2.4
471.31287	2.5
501.32251	100.0
502.32764	5.4
503.32861	3.6
523.38580	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	597.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82434	0.9
52.44226	1.1
54.77094	1.1
55.01872	1.2
56.30474	0.9
57.03447	6.8
58.00594	2.4
59.01375	89.0
59.16394	1.2
62.59674	1.1
69.03450	1.2
71.01369	69.0
71.01746	2.5
72.99314	2.2
73.02940	19.3
77.73909	1.0
81.03432	4.2
83.01375	5.6
83.05018	2.0
85.02945	20.3
87.00867	6.7
89.02428	100.0
93.03414	8.7
95.01366	1.7
95.05010	1.9
96.95989	35.4
96.96534	1.3
97.02952	6.7
99.00852	6.5
99.04495	2.5
101.02427	29.7
109.02934	2.9
111.04507	1.3
112.05260	1.6
113.02443	13.1
113.28516	1.2
119.03487	5.9
119.05025	4.9
123.04465	8.8
125.02417	16.3
127.04023	1.9
131.03487	25.1
133.02911	8.7
134.07372	2.0
135.04469	3.0
137.02435	4.9
139.03923	1.4
143.05035	1.6
147.04587	1.8
148.72995	1.3
149.04535	34.8
149.08553	2.0
149.09694	34.4
155.03519	1.3
159.04463	2.5
161.04474	2.0
163.03949	1.7
165.05493	1.4
166.76582	1.1
167.03470	20.5
167.10757	38.0
173.04546	1.5
179.03456	6.3
187.03917	1.8
189.05220	1.2
191.05605	48.7
192.05923	5.2
197.04413	6.6
209.04514	20.9
229.01375	9.2
230.01654	1.4
231.02811	7.2
239.05629	17.3
269.06638	7.1
299.07568	1.8
329.09134	1.5
387.07367	6.8
398.93222	1.6
405.21326	6.2
434.10178	2.1
477.09918	2.8
537.25555	100.0
538.26062	2.1
597.14355	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	597.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40927	0.8
55.01871	1.3
57.03443	9.2
58.00582	2.3
59.01374	98.9
62.21474	0.8
71.01373	73.4
72.99300	2.0
73.02934	17.6
81.03454	5.0
83.01385	4.9
85.02938	14.8
87.00854	3.9
89.02435	100.0
92.10896	1.0
93.03383	1.2
94.74703	0.9
95.05023	1.9
97.02920	4.4
99.00872	1.5
99.04482	7.0
101.01810	1.8
101.02433	35.5
111.04471	1.5
113.02433	13.1
119.03488	6.9
125.02427	16.7
125.06403	1.0
131.03479	25.6
133.02979	1.9
134.07339	4.3
135.08162	2.1
137.09773	2.9
139.07617	1.6
143.03557	1.1
149.04549	35.4
149.09705	38.5
153.09200	13.6
161.04488	1.4
161.69287	0.9
165.64671	0.9
167.03477	22.1
167.10751	38.9
177.01767	0.9
179.05582	1.2
191.05583	14.4
193.99377	1.0
197.04517	4.9
209.11830	1.4
219.21469	0.9
225.14978	1.8
233.10345	1.1
240.58246	0.9
243.16072	1.4
257.06662	1.2
271.01663	1.1
293.08615	3.8
304.77417	0.9
322.26843	1.2
405.21173	10.0
507.11447	5.0
537.25500	92.9
538.25745	2.1
549.75403	1.0
549.83624	1.1
595.90735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01376	10.0
61.98820	4.5
71.01385	4.4
73.02969	1.0
85.02943	4.9
89.02425	2.8
92.15455	0.8
95.01391	1.0
96.96026	1.5
96.96931	0.7
99.00859	0.9
101.02431	1.5
108.02165	57.5
109.02940	12.2
113.02461	1.9
125.02334	0.9
126.37306	0.8
135.04536	1.1
143.20416	0.8
151.03966	0.9
152.01137	100.0
153.01874	3.5
163.03987	4.6
165.05489	2.9
167.09537	0.8
167.10715	6.7
185.11768	1.5
191.05568	5.1
257.42230	1.0
337.27530	0.8
423.29227	0.9
429.10358	8.0
447.11411	16.8
451.16367	1.1
452.69263	0.8
503.33594	1.5
515.30347	1.2
561.28821	3.3
597.21826	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.6
61.98821	3.7
62.70621	0.5
71.01371	2.4
73.02958	0.7
81.03454	1.0
85.02940	2.8
93.03403	4.3
95.31979	0.6
96.95986	10.5
101.02428	2.7
107.01422	0.7
108.02160	7.4
109.02932	10.3
112.02184	0.7
113.02435	1.5
121.02924	5.5
123.04504	11.1
131.63872	0.6
133.02948	9.9
134.03682	1.1
135.04507	10.6
137.02464	0.7
144.15492	0.6
145.02907	0.8
149.02402	3.2
151.00391	0.8
161.01135	1.2
161.02431	28.3
165.05588	1.0
168.00531	0.9
173.04628	0.6
179.03444	2.7
185.06018	1.3
189.01942	1.0
191.05637	8.6
200.61398	0.7
219.03276	0.6
221.04512	0.6
225.05243	0.6
229.08684	5.0
243.06464	0.6
253.04993	2.4
255.06703	6.0
267.06750	1.2
273.07690	1.5
273.20941	0.6
276.07864	0.7
277.04840	1.4
277.08456	1.0
278.05768	1.1
279.06586	2.6
281.07947	0.9
289.08640	2.6
291.06625	4.1
292.07391	1.0
293.08380	1.1
303.06711	2.6
304.07413	0.8
305.08264	5.0
307.09570	2.6
309.07544	1.2
309.10974	0.7
311.09332	1.0
317.08044	4.2
318.08856	0.8
319.09714	3.1
321.07559	1.5
322.08554	0.9
323.08783	0.8
331.09784	0.7
333.11240	0.7
335.09244	6.9
336.09790	1.3
337.10815	1.3
347.09167	0.8
349.10852	3.4
350.11417	5.6
351.12125	0.7
355.11981	1.0
363.20209	3.7
365.10107	1.2
367.11557	1.0
375.27496	1.2
380.12500	3.4
381.12979	0.8
386.07761	1.2
401.10043	2.9
401.15112	0.8
411.11954	0.7
427.11978	1.5
441.13123	1.0
443.15454	2.0
455.14932	0.9
458.13760	0.8
459.14404	6.1
461.15961	1.0
473.15985	6.3
474.16330	0.7
489.15585	7.0
492.17651	1.0
504.17889	12.8
507.20212	15.4
519.20227	100.0
520.20355	3.8
534.23596	0.7
537.32605	2.6
553.17224	2.9
597.16180	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	597.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66227	0.5
51.66475	0.4
54.12729	0.5
57.03436	5.2
59.01371	6.3
67.01892	0.5
68.53205	0.5
69.03448	0.6
71.01367	5.6
73.02946	1.5
76.55803	0.5
76.59067	0.7
78.95878	0.9
79.95728	0.7
81.03435	17.4
81.03880	0.7
83.01353	4.4
84.80938	0.5
85.02928	1.4
87.00864	1.0
89.02431	7.5
93.03458	3.0
93.45798	0.6
95.01359	0.6
95.05006	9.8
96.95986	66.0
97.02929	5.5
99.00862	4.0
99.04494	19.2
101.02441	3.3
101.40701	0.6
108.02175	0.7
109.02932	2.5
111.00853	0.9
111.04522	3.1
113.02420	0.8
116.94153	0.6
121.02921	3.2
123.04494	9.4
125.02418	56.2
133.01932	1.0
133.02931	29.0
135.04456	1.0
137.02415	10.0
139.03952	4.3
149.02417	2.9
149.04546	1.1
149.09702	2.3
150.03214	5.6
151.03958	2.4
153.05602	0.8
153.09225	0.7
159.04478	0.7
161.02377	0.7
164.01199	0.7
164.04810	0.7
165.01979	0.9
165.05508	6.5
167.03468	100.0
167.10725	1.3
177.01904	7.2
179.03502	4.3
181.05080	0.8
191.05586	8.9
193.01418	1.2
195.06609	1.1
197.04510	23.0
209.04514	1.0
221.04465	2.0
229.01372	0.6
231.03052	1.4
235.02400	2.7
239.05557	1.1
257.06635	10.8
264.06238	0.7
298.68204	0.7
305.99850	0.6
327.05060	2.9
329.08844	0.9
339.07608	1.5
345.06073	2.9
359.09818	0.6
391.44675	0.6
417.08200	1.2
435.09128	1.2
461.14603	0.9
502.82904	0.6
507.11456	20.0
537.12823	5.6
537.25433	12.0
597.14459	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	597.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03437	0.8
59.01375	9.2
60.23272	0.5
61.98822	5.4
68.80064	0.5
71.01372	5.5
71.01727	0.5
73.02934	1.0
81.03459	2.5
85.02940	3.2
87.00892	0.9
89.02432	2.0
91.67612	0.6
93.03410	3.5
96.95979	6.9
101.02413	2.8
106.04197	0.5
108.02164	10.1
109.02930	11.2
113.02440	0.8
116.92828	0.8
117.03428	0.6
121.02934	6.5
122.03718	0.6
123.03651	0.7
123.04507	15.6
125.02486	0.6
133.02927	14.9
134.03679	0.7
135.04501	14.8
137.02425	0.8
145.02943	1.3
149.02397	5.3
149.06039	0.6
159.04437	1.1
159.05702	0.6
161.02420	41.7
173.04486	0.9
173.05933	0.6
175.03882	0.6
179.03479	5.2
185.06006	1.0
189.01939	2.1
191.05583	10.6
192.05968	1.2
197.05786	0.6
203.03503	0.7
208.03831	0.5
221.04626	0.6
227.07079	2.2
229.08661	8.1
242.49481	0.5
253.05040	2.1
255.06618	10.0
267.06567	0.9
273.07611	4.1
275.07159	1.0
277.05011	1.2
277.08670	0.6
278.05792	1.2
279.06543	3.2
289.08691	1.3
290.05975	0.8
291.06625	3.0
292.07434	2.1
293.08136	0.9
299.05606	1.2
303.06595	3.0
304.07394	3.0
305.08054	4.8
306.08737	0.8
307.09769	3.7
309.07626	0.7
316.07385	0.8
317.08237	3.7
318.08997	0.7
319.09735	3.2
321.07645	0.6
323.08102	1.1
331.10086	0.8
335.09286	8.3
336.10101	2.3
337.10785	2.5
349.10818	3.6
350.11563	8.7
363.20184	6.2
365.10178	1.0
367.11600	2.5
375.27567	1.2
380.12714	4.4
385.07193	1.8
386.07925	1.2
401.10275	3.3
401.15497	1.0
413.10284	0.8
415.11633	0.7
427.11789	2.4
429.13010	0.6
434.03006	0.9
441.13379	1.1
443.15509	1.1
447.14313	0.7
455.14865	0.7
458.13461	1.0
459.14307	6.6
461.16101	0.9
473.16196	7.3
489.15375	6.9
492.17493	0.7
504.17938	13.2
507.20258	13.3
519.20227	100.0
520.20654	1.0
537.21320	0.7
537.32355	2.7
553.17102	5.4
597.16217	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	595.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35481	46.6
66.59580	44.1
68.27405	55.2
93.03455	55.5
151.05716	53.8
178.94766	53.4
185.68439	59.1
191.05621	64.5
192.74086	49.4
193.87299	50.1
244.87811	55.0
359.26236	57.0
455.88568	68.2
557.44086	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	597.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09643	0.1
57.54752	0.2
59.01368	0.2
61.60393	0.2
67.01875	0.2
67.89788	0.2
71.01381	0.3
72.83739	0.2
78.95906	0.3
79.95720	1.9
85.02975	1.4
87.00860	0.9
89.59232	0.2
93.03446	1.9
96.95992	100.0
109.03005	0.2
111.04530	0.2
119.05007	1.7
123.13627	0.2
127.03955	0.4
130.61903	0.2
132.90483	0.2
133.02890	0.2
135.04495	0.7
137.02429	0.2
149.06003	0.3
161.02428	1.3
163.03972	1.3
167.34760	0.2
173.04399	0.2
177.05455	0.3
179.03438	0.4
191.05608	16.9
192.05913	1.5
229.01344	0.4
259.02460	1.2
325.09119	0.3
352.07874	0.3
353.08762	4.4
353.59058	2.4
481.09961	1.9
504.61365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07127	0.1
54.08303	0.1
58.23616	0.2
59.01368	0.7
60.71564	0.2
71.01369	0.4
73.02922	0.2
78.95885	1.7
79.95705	1.6
81.03468	0.3
83.01345	0.2
85.02939	0.3
85.91427	0.2
87.00853	0.4
89.02431	0.7
93.03431	0.2
96.95988	100.0
97.02906	0.2
99.04498	0.2
101.02413	0.2
108.90617	0.2
109.02949	0.2
111.00878	0.3
122.03665	0.2
123.04494	0.3
125.02422	1.1
133.02919	1.5
144.49495	0.2
149.02361	0.4
149.06006	0.3
150.03233	1.9
151.03954	0.3
161.02359	0.7
165.05530	2.0
167.03473	2.2
175.02448	0.3
175.03891	0.2
177.01836	0.2
191.05554	1.3
197.04495	0.7
209.04578	0.4
233.04288	0.2
237.03992	0.3
282.33459	0.2
337.05661	0.3
338.46350	0.2
382.14713	0.2
431.75568	0.2
461.14337	0.3
490.80103	0.2
499.10840	0.9
507.11487	0.4
537.25787	1.0
556.06580	0.2
596.29517	0.2
597.08203	0.4
597.17859	1.0
613.97131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26790	0.2
58.88029	0.2
59.01377	3.7
71.01371	1.3
75.32497	0.2
78.95889	100.0
84.71371	0.2
85.02923	0.3
89.02431	0.5
96.96033	1.9
96.96942	18.8
113.02444	0.6
116.62763	0.2
119.03489	0.3
136.94040	0.4
138.97961	0.5
174.86658	0.3
176.34520	0.3
203.99319	0.2
212.95700	0.3
241.01129	2.0
259.02222	9.0
332.63773	0.3
373.05423	1.4
379.14893	0.2
597.10803	27.3
598.11151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33220	0.7
59.01378	6.8
60.99302	17.8
61.98820	5.0
65.49487	0.6
71.01382	1.2
82.44125	0.5
85.02960	3.4
85.34743	0.7
87.00896	1.0
88.98788	100.0
89.02444	2.8
93.03463	2.7
96.96033	1.0
99.05589	0.6
100.66624	0.6
101.02418	0.7
105.45797	0.6
109.02999	0.8
113.02366	0.8
125.02435	0.8
133.02887	0.8
135.04507	3.1
151.00348	1.5
168.41924	0.7
173.04433	1.1
177.01886	0.7
191.05574	10.3
192.05991	1.0
226.02675	0.6
229.01341	4.0
328.01932	0.9
343.04568	3.2
358.06912	2.4
373.09232	3.7
501.31714	0.9
535.32513	0.8
595.13245	1.0
595.25110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23679	0.9
50.71547	0.9
67.53954	1.1
71.05022	1.2
72.99302	1.8
89.95842	1.1
92.92777	2.6
95.38345	1.1
100.94058	1.5
109.92066	1.3
204.71049	1.1
304.64777	1.2
391.29816	1.5
441.29715	1.4
483.31186	14.9
501.32217	100.0
502.32599	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
57.49857	1.7
59.01373	1.7
61.98827	2.4
64.74017	1.7
78.95886	68.5
92.10220	4.3
96.96943	14.4
120.58934	2.4
122.63737	2.2
152.99565	100.0
173.84181	2.3
191.05537	9.1
217.48482	2.2
223.00146	11.1
238.03384	2.1
241.01067	22.6
246.18140	2.2
259.02545	2.3
279.23248	89.1
315.04868	7.9
450.95618	2.5
595.28857	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	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26341	0.9
57.03435	1.4
59.01374	21.1
60.99322	1.1
61.98821	15.4
67.46239	0.9
69.31408	1.0
71.01368	7.3
72.99300	8.7
73.02959	1.2
75.85986	1.0
85.02974	4.8
87.00867	2.1
87.04515	10.3
88.98783	11.4
89.02457	2.3
93.03468	3.6
96.95991	1.4
101.02441	2.4
108.02165	57.1
109.02960	13.0
113.02441	1.7
116.92901	1.1
120.80663	1.2
121.10204	2.5
123.04482	1.7
125.02412	1.3
135.04539	1.9
137.02408	1.0
152.01137	100.0
153.01888	1.4
163.03978	4.0
165.09204	1.7
178.06290	1.1
179.03403	1.0
191.05614	13.2
229.01434	4.1
429.10413	4.2
447.11441	40.7
535.32458	1.9
595.20337	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	595.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
59.14292	0.1
67.01912	0.2
67.65135	0.2
70.81268	0.2
71.01380	0.3
85.02938	2.5
85.03322	0.1
85.48293	0.2
87.00861	0.4
92.10168	0.2
93.03450	1.0
109.02927	0.2
111.04537	0.4
122.53928	0.2
127.03984	0.7
157.02942	16.0
170.17467	0.2
185.02458	1.2
191.05611	16.4
201.01913	0.3
203.03447	0.2
229.01410	100.0
230.01711	1.0
403.06723	8.8
445.11075	0.2
459.01331	0.2
595.13037	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	595.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28823	0.7
55.01874	5.7
57.03448	1.8
59.01375	100.0
60.99312	1.7
71.01373	48.9
72.99286	1.5
73.02936	24.1
83.01361	8.7
85.02934	26.7
85.03407	1.4
87.00880	7.3
88.82930	0.9
88.87316	0.8
88.98795	13.1
89.02427	18.7
93.03440	1.8
95.01366	5.8
97.02927	3.4
99.00854	6.0
99.60036	0.9
101.02429	47.3
103.02388	0.7
109.02957	4.2
111.00872	2.0
113.02438	29.1
119.03473	7.5
125.02443	6.5
131.03494	5.7
133.02966	0.8
135.04510	0.8
143.03500	3.6
149.04550	1.2
151.03976	1.3
159.02979	3.5
161.04556	14.2
177.01906	4.3
179.05603	3.9
191.05635	10.4
203.05556	5.4
204.76825	0.8
221.06699	8.9
229.01421	4.0
237.38693	0.8
245.06732	0.9
263.07715	8.3
278.32437	0.8
305.08652	1.7
405.17703	9.1
423.18506	7.7
447.18784	4.0
465.19742	32.6
475.21933	3.7
493.22940	17.0
507.21085	6.3
535.24512	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31487	0.3
60.99307	18.6
61.98804	0.4
65.90917	0.3
78.95882	1.3
88.98791	100.0
104.09646	0.3
127.13373	0.3
152.99586	0.6
155.63510	0.4
158.85326	0.3
191.05524	0.6
192.91173	0.4
210.06241	0.3
260.17505	0.3
277.21680	0.6
503.33844	2.2
548.76550	0.3
572.09753	0.4
593.27533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.3
57.03440	3.6
58.00587	0.8
58.23953	0.4
59.01375	100.0
60.99303	0.6
61.95174	0.4
61.98838	4.0
69.03459	0.6
71.01369	17.9
72.89104	0.5
73.02930	6.0
83.01376	6.4
83.18898	0.6
85.02938	19.4
86.00089	0.9
87.00864	2.4
88.98789	7.5
89.02422	4.0
90.78217	0.6
93.03436	2.8
95.01353	2.4
96.96001	1.3
97.02950	1.3
99.00868	2.9
99.81480	0.6
101.02428	13.0
109.02928	0.7
111.00831	0.7
113.02447	10.0
124.01558	0.6
125.02424	1.3
133.02843	0.9
135.04478	2.4
143.03456	1.2
161.02423	0.6
161.04559	2.5
173.04492	0.9
177.01830	0.6
177.93076	0.6
183.13870	0.7
185.15443	2.6
191.05594	14.4
192.05962	0.9
196.63074	0.5
207.10289	0.8
207.59506	0.6
211.13414	0.8
283.13321	0.5
299.25812	3.8
345.30075	7.3
371.24216	1.2
431.25549	1.1
468.16919	0.6
489.34326	61.2
490.34506	1.1
507.35364	29.4
549.36432	7.4
593.25305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
73.80215	0.7
74.81063	0.6
78.25571	0.7
78.95889	73.5
82.75520	0.7
82.95402	0.7
86.91657	0.7
88.98760	0.7
96.96946	13.8
100.54086	0.8
132.59129	0.8
146.39786	0.8
149.99313	0.9
152.99564	100.0
169.39380	0.8
171.00497	2.9
223.00110	11.2
241.01169	30.0
259.02148	1.0
277.21692	65.1
315.04980	11.7
378.42715	0.9
593.27319	86.6
594.27759	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93955	2.1
51.81372	2.4
56.61902	2.5
58.49149	2.2
58.82967	2.6
59.01382	2.3
61.98817	3.5
72.30133	2.5
78.95889	79.3
91.80311	2.3
96.95950	2.8
96.96947	15.3
97.99020	2.7
98.35138	3.0
111.33094	2.5
121.02954	3.1
152.99567	100.0
156.86736	2.9
171.00691	4.2
191.05530	5.6
223.00056	13.1
232.61800	2.7
241.01163	30.2
277.21671	70.3
291.47662	2.5
315.04758	12.3
346.79315	2.6
356.95691	3.0
376.16986	3.0
487.34497	2.7
506.27090	3.1
593.27325	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.6
57.03450	4.3
58.00594	2.0
59.01376	89.3
59.59928	0.7
71.01372	60.2
72.99308	4.6
73.02943	8.1
73.28505	0.9
83.01383	5.5
85.02938	26.2
85.69951	0.9
87.00883	3.7
87.04493	2.2
88.98808	4.1
89.02431	48.3
93.03423	2.2
95.01376	6.2
96.95995	1.3
97.02969	0.9
99.00872	4.6
101.02431	33.3
106.06979	0.8
109.02954	2.1
111.00921	1.1
113.02441	25.3
119.03476	21.0
125.02417	2.0
135.04463	1.1
140.91663	0.8
143.03433	1.4
151.00352	1.2
151.03944	0.9
161.04477	6.6
177.01921	3.8
179.05586	19.7
191.05594	16.6
192.05911	2.0
198.49265	1.0
255.79077	1.0
353.23224	1.4
431.22849	100.0
432.23096	2.0
455.22833	1.6
533.29663	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	593.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.3
60.99299	19.3
61.98820	1.0
67.01878	0.5
71.01367	5.0
72.99297	0.7
73.02930	1.0
74.92107	0.5
83.01366	0.8
85.02948	4.5
87.00864	2.6
88.98787	100.0
89.02419	1.8
91.34027	0.5
93.03433	3.4
96.96013	0.5
101.02413	2.8
107.01340	0.8
109.02927	1.0
113.02384	1.2
119.05026	0.6
123.47114	0.6
126.66296	0.5
127.03975	0.6
133.02922	7.0
135.04509	1.7
137.02408	2.1
149.02379	0.8
151.00305	3.7
161.02357	0.7
161.04575	0.9
172.05408	0.6
173.04436	0.9
175.03922	2.2
177.01892	0.7
183.13850	0.6
191.05600	19.5
192.05873	1.1
199.03963	2.8
200.04826	0.6
207.10211	2.1
217.04910	0.9
225.11215	0.6
232.03665	0.6
285.04044	51.9
286.04340	1.2
303.50705	0.5
399.23804	2.7
417.24960	1.1
419.82285	0.6
533.28870	2.8
549.13385	0.5
593.13116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.9
58.00586	1.8
59.01085	4.5
59.01376	97.0
65.41614	1.6
71.01366	53.7
72.99316	2.9
73.02937	3.1
74.06770	2.2
75.23130	1.8
76.55988	2.0
85.02926	15.7
87.00856	11.9
89.02429	57.8
93.03424	2.6
96.16541	1.8
99.04500	8.5
101.02416	28.9
101.26894	2.1
109.02930	2.6
111.04419	2.6
113.02459	18.5
119.03461	8.4
135.04489	2.9
144.86169	1.8
159.11742	2.5
161.13354	70.4
162.13538	1.9
163.06065	2.2
173.04544	2.2
181.07166	53.8
187.11310	27.3
191.05591	15.2
205.12357	72.3
249.11273	37.8
297.94928	2.2
303.00818	2.4
327.05179	3.4
359.15109	4.4
413.18155	81.5
419.55270	2.3
431.18753	2.7
593.24506	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	593.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69976	1.6
58.00587	1.4
59.01379	100.0
60.01716	1.5
66.68471	1.8
69.84782	1.3
71.01373	54.6
72.99300	2.9
73.02936	7.7
80.66552	1.5
81.07102	2.1
83.01337	1.8
83.05042	3.0
85.02943	15.8
87.00864	2.5
89.02437	45.7
93.03445	3.4
95.01378	2.8
96.96012	2.9
99.04507	11.8
101.02426	34.0
103.01600	1.4
111.04507	2.1
113.02452	15.6
119.03463	13.4
131.03445	1.9
135.04544	3.2
149.04559	1.7
159.11903	1.9
161.13361	86.9
161.37143	1.7
163.06096	7.6
176.77469	1.7
179.05519	2.5
181.05579	1.9
181.07169	56.6
187.11266	32.3
191.05643	22.6
197.60387	1.7
205.12340	94.4
229.12276	3.1
249.11331	36.9
369.19330	6.5
405.55237	2.3
411.16751	2.8
413.18228	85.2
429.17728	3.5
593.16943	3.2
593.24524	90.8
594.24762	2.2
597.16113	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	593.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79336	0.3
54.81376	0.3
59.01375	8.1
60.04454	0.4
60.99302	18.9
68.92918	0.4
71.01387	0.9
75.18894	0.4
79.81612	0.4
85.02942	1.1
88.98791	100.0
89.02409	0.4
93.03421	0.5
101.02418	0.9
191.05612	4.7
373.41016	0.5
399.23602	1.5
417.24918	1.8
429.80756	0.4
459.25980	1.0
533.29413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83937	0.5
54.07458	0.4
54.25647	0.4
59.01396	0.8
60.85800	0.4
63.02414	0.6
64.33096	0.4
65.00322	0.5
69.41081	0.5
75.49010	0.4
81.03436	0.5
85.02972	0.7
87.00856	0.5
93.03429	4.3
99.33622	0.5
107.01391	2.3
108.02228	0.5
109.02974	0.8
117.03419	0.6
125.02459	0.6
132.02132	0.7
135.00832	1.6
137.02431	0.6
143.05022	1.0
151.00356	3.2
153.02023	0.7
157.06560	1.0
159.04539	2.1
163.00375	3.2
167.05052	0.7
169.06598	0.9
171.04593	0.9
183.04439	1.1
185.06004	4.4
187.03998	5.4
189.05611	1.0
191.05594	6.0
197.06149	1.0
199.04019	2.1
211.04071	4.3
213.05641	3.8
214.72078	0.5
227.03487	48.4
228.04140	0.6
229.05043	18.2
239.03485	3.3
240.04224	1.1
241.05086	2.9
241.26624	0.6
245.47231	0.5
255.02977	82.1
256.03680	6.0
257.04495	8.4
267.02884	0.9
283.02682	0.7
283.06055	0.7
284.03247	79.6
285.04028	100.0
286.04288	0.7
384.42334	0.6
470.30609	0.6
593.15100	77.4
594.15479	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	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56757	0.3
55.59323	0.3
56.61808	0.3
59.01395	2.1
63.02404	0.6
65.00332	0.5
67.01892	0.3
80.80908	0.4
83.01410	0.5
85.02503	0.4
85.02973	2.0
87.00894	1.6
89.02451	0.5
91.01900	0.5
92.10167	1.8
93.03441	6.1
95.01430	0.3
101.02463	0.4
102.19701	0.3
107.01410	3.5
107.02057	0.4
108.02194	0.4
109.02956	2.9
111.04549	0.5
119.31404	0.3
121.02998	0.4
123.04498	0.4
132.02173	1.4
133.02950	0.4
135.00891	2.6
135.04482	0.4
137.02469	0.8
143.05006	1.5
145.02982	0.6
145.73729	0.4
149.44830	0.3
151.00374	4.5
153.02011	0.7
157.06592	0.9
159.04492	2.4
161.02480	0.5
163.00349	4.7
163.41823	0.4
164.01152	0.6
165.01942	0.4
167.05029	1.4
169.01334	0.5
169.06551	0.7
171.04556	1.3
173.02498	0.7
173.04546	1.6
173.05934	0.4
174.03230	0.3
177.01939	0.5
182.03781	0.4
183.04568	1.5
185.02411	0.5
185.06036	3.7
187.04004	5.1
189.05565	2.0
190.99861	0.5
191.05612	11.2
195.04507	0.7
197.06097	1.9
199.03998	2.2
201.05611	1.6
211.03996	4.1
212.04845	0.4
213.05563	3.4
215.03439	0.4
227.03499	51.9
228.04068	1.6
229.05045	19.9
239.03468	2.9
240.04218	0.8
241.05103	3.0
243.03009	1.3
251.12923	0.4
255.02989	85.5
256.03729	6.4
257.04572	10.4
267.02991	1.8
283.06131	0.5
284.03256	90.0
285.04034	100.0
286.04233	1.3
313.10828	0.8
327.05151	0.7
401.12311	0.5
440.19882	0.4
448.19040	0.4
593.15094	80.8
594.15253	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32223	0.6
55.50642	0.5
60.30314	0.5
74.33975	0.6
75.44408	0.6
93.03442	3.3
99.83970	0.7
107.01391	0.7
117.03439	9.8
119.04968	1.5
131.05057	0.7
132.85115	0.9
134.33638	0.7
135.04500	5.5
147.04436	1.1
149.02438	0.7
159.04410	1.0
161.02408	5.6
163.04018	1.6
173.06093	0.9
175.04005	1.4
177.02069	1.1
177.05513	3.0
189.05609	1.1
191.03488	2.4
191.05447	0.9
197.06161	0.9
203.03502	3.0
205.04976	1.0
238.34775	0.7
239.07144	0.8
268.07303	1.4
282.05240	4.0
283.06033	4.7
295.06104	8.6
296.06882	3.7
297.07642	29.1
307.06067	2.9
309.07675	3.7
311.05472	4.0
323.05807	5.8
325.07169	14.9
328.05881	5.8
335.05533	3.1
337.07065	6.2
353.06644	57.4
355.08075	1.1
356.05511	1.2
365.06604	8.9
383.07690	38.0
395.07755	8.6
413.08606	6.1
425.08670	1.3
473.10883	11.6
503.12326	5.3
504.55365	0.8
593.15125	100.0
594.15723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.5
55.23578	0.4
57.03456	3.9
58.00612	0.9
59.01382	100.0
61.98845	2.4
63.31987	0.5
67.01881	1.2
68.82522	0.4
69.03448	2.1
71.01375	23.2
71.01740	1.0
71.05004	0.7
72.99282	0.6
73.02934	9.3
73.03268	0.6
73.70542	0.5
74.59634	0.5
81.03452	0.7
83.01380	6.7
85.02940	23.0
86.00072	0.9
87.00864	4.5
89.02428	4.4
93.03445	10.6
95.01379	2.1
96.96008	2.0
97.02946	0.7
98.95591	0.7
99.00893	4.9
99.92585	2.0
101.02425	18.5
101.03035	1.0
109.02922	0.9
111.00905	2.2
111.04514	1.2
113.02440	11.5
115.92058	0.8
116.92850	10.3
117.92825	0.6
119.03503	0.9
121.10207	5.2
124.01665	0.9
125.02476	1.0
126.16595	0.6
127.04021	2.2
129.01936	1.2
132.02129	0.6
134.03737	3.0
135.04506	12.3
137.02481	1.3
141.01900	0.7
143.03476	2.3
149.04515	1.0
151.04036	0.8
160.01692	4.6
161.02441	1.2
161.04539	3.2
171.02911	0.6
173.04486	3.6
175.04007	2.7
179.03497	3.4
185.15427	5.2
191.05603	62.0
313.27121	0.8
325.27600	0.6
329.19705	0.6
343.28445	2.2
347.20804	4.3
377.11380	0.6
399.22049	0.8
429.24866	8.7
429.46143	0.6
487.32761	44.9
488.32956	0.8
505.33829	23.8
531.29132	2.7
547.34772	5.1
591.27911	10.5
606.69946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26321	1.0
52.36752	1.3
71.01376	1.7
79.42758	1.2
85.02970	1.8
93.03444	6.7
96.96003	1.9
109.02932	1.7
116.92784	1.2
117.03482	8.7
120.70498	1.2
123.04472	1.4
125.39539	1.2
135.04506	6.0
154.33487	1.2
159.04509	1.6
161.02408	5.4
163.03970	1.4
174.42039	1.3
175.03949	2.1
177.01862	1.8
177.05569	1.3
191.05571	17.6
192.05899	1.6
203.03519	1.6
215.30557	1.3
251.06950	1.2
268.07419	1.5
279.06299	1.5
281.04688	1.3
282.05243	3.9
283.06104	6.2
295.06076	7.8
296.06949	2.3
297.07651	33.6
306.38925	1.2
307.06140	2.8
309.07587	2.8
311.05646	4.9
323.05508	2.7
325.07175	14.1
328.05966	5.6
337.07251	2.9
353.02609	2.5
353.06647	54.3
356.04953	1.4
365.06641	6.5
383.07745	31.8
395.07794	2.2
413.08768	1.6
425.08670	1.6
459.61929	1.5
473.11035	13.3
483.72333	1.3
503.11307	1.4
593.15094	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	591.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37815	0.4
55.01884	2.9
57.03452	3.9
57.27264	0.4
59.01377	100.0
59.03429	0.6
60.21717	0.5
61.98831	3.1
67.01891	2.3
69.03465	1.2
71.01372	26.8
71.01746	1.0
71.05048	0.6
72.99318	0.9
73.02937	6.6
75.00898	0.6
79.25808	0.6
81.03488	0.6
82.95427	0.9
83.01362	4.8
84.95085	0.6
85.02941	21.0
85.06603	0.7
86.00076	0.8
86.78284	0.5
87.00861	5.1
88.98798	1.3
89.02426	8.9
93.03447	12.2
95.01378	3.7
96.96000	1.4
97.02954	1.1
98.70545	0.6
99.00879	4.9
99.92577	2.5
101.02425	14.1
109.02947	0.8
111.00884	2.4
111.04527	0.9
113.02442	10.9
114.36997	0.6
115.92043	2.1
116.92834	14.0
119.03487	1.4
121.10218	3.4
125.02444	2.7
127.04000	1.0
129.01910	0.6
131.03426	0.8
132.02167	1.0
133.02940	0.8
134.03714	3.3
135.04504	16.6
137.02454	2.2
143.03517	2.6
148.38310	0.7
149.04521	4.2
159.02950	0.9
160.01660	6.4
161.02457	1.3
161.04532	2.5
173.04523	4.6
175.03957	4.9
179.03439	3.6
185.15433	3.5
191.05603	74.2
192.05893	2.4
193.05098	0.7
233.35117	0.6
325.27567	0.7
329.19897	0.9
342.69064	0.6
343.28558	4.7
347.20779	2.9
399.22858	1.0
404.91650	0.6
429.25034	4.9
487.32751	44.4
488.33182	1.4
505.33795	20.7
513.28748	1.2
531.28644	6.3
547.25488	0.7
547.34753	3.5
591.27948	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	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81729	1.0
55.01892	2.1
55.25117	1.2
55.48346	1.1
57.03460	4.3
59.01378	100.0
61.98830	2.6
63.01587	1.0
66.28555	1.0
69.03442	1.9
70.88822	1.0
71.01379	20.6
71.01678	1.1
73.02958	6.1
76.25100	1.1
82.95427	15.0
83.01395	4.9
84.00919	1.5
84.95119	54.0
84.95613	2.1
85.02947	18.4
87.00880	1.7
88.98833	2.1
89.02456	5.9
93.03479	2.9
95.01373	1.6
96.95980	1.4
99.00893	1.4
101.02405	9.8
102.87084	1.1
109.35738	1.2
113.02452	10.5
134.03685	1.6
135.04539	10.8
141.18698	1.1
143.03471	1.5
156.62154	1.0
157.02930	1.1
160.01588	2.7
161.02397	2.1
163.81227	1.1
175.04010	2.4
175.55513	1.1
177.01851	1.4
179.03470	2.6
191.05602	30.8
209.11789	1.4
261.86679	1.2
263.30353	1.2
279.23343	2.7
280.10077	1.3
283.48102	1.1
343.28534	5.7
487.32755	48.8
488.33084	2.0
505.33957	19.1
531.28235	6.3
591.27997	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	591.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12497	0.3
55.01885	4.0
57.03456	2.7
58.00599	0.5
59.01083	0.7
59.01381	19.7
61.98840	0.5
69.03457	1.4
71.01375	38.7
72.99310	0.7
73.02937	17.1
75.00883	0.7
81.03460	0.4
83.01375	6.8
83.01775	0.4
84.08803	0.3
85.02940	20.3
86.00137	0.4
87.00860	2.4
89.02433	7.4
92.10889	0.5
93.03456	0.8
95.01374	3.1
96.96004	0.8
97.02946	2.2
99.00867	8.2
99.04483	0.4
99.10992	0.3
101.02426	31.6
102.55135	0.3
111.00887	0.6
113.02434	16.8
115.04012	1.6
121.22231	0.4
125.02440	2.3
127.03922	0.6
129.01927	0.6
131.03479	2.2
135.04506	0.8
143.03484	1.9
147.79677	0.3
149.04561	0.5
159.02963	3.2
161.02449	0.5
161.04536	12.5
175.38986	0.3
179.03444	0.3
187.97864	0.3
191.05582	3.2
213.78479	0.4
233.06587	1.2
288.67444	0.4
328.05838	0.7
399.23804	8.6
444.83032	0.4
531.28101	100.0
532.28394	1.8
567.93250	0.4
591.27631	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	591.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64573	0.8
55.01875	1.5
55.57244	0.7
57.03450	1.8
57.39370	0.7
58.00582	1.4
59.01375	87.0
61.65393	0.8
69.03445	1.2
71.01371	61.9
72.99287	3.5
73.02934	20.3
83.01389	1.5
85.02934	13.1
87.00866	1.7
88.98817	2.2
89.02428	100.0
93.03410	1.2
96.95963	1.7
99.00864	14.8
101.02422	34.0
108.02130	0.9
113.02428	12.5
116.06157	1.0
119.03464	6.2
125.02389	2.2
131.03477	19.1
135.04494	1.2
135.57320	0.8
137.02368	1.0
149.04536	50.7
161.04575	3.1
178.44966	0.8
179.05516	1.1
191.05595	20.7
221.06575	2.1
251.07649	4.9
269.30743	0.9
281.08142	1.2
293.08743	1.5
311.09729	4.9
531.28149	37.0
591.28461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48108	0.4
55.01877	5.6
57.03457	4.3
58.00616	0.7
58.58672	0.4
59.01086	1.4
59.01381	36.2
62.54192	0.5
69.03461	1.4
71.01380	52.4
72.99322	0.8
73.02944	19.6
73.03320	0.9
75.00890	0.7
79.03154	0.5
81.03473	0.6
83.01390	9.3
85.02953	28.2
87.00897	2.3
88.98804	1.2
89.02442	11.7
92.10822	1.5
93.03471	2.7
95.01365	5.0
96.96018	1.0
97.02956	3.2
99.00880	9.1
101.02433	42.0
111.00890	2.2
113.02446	24.9
114.37601	0.5
115.04002	1.2
116.12665	0.5
119.03489	0.9
123.48763	0.6
123.76658	0.6
125.02459	2.8
129.01895	2.0
131.03551	2.6
135.04518	2.2
137.02455	0.6
143.03497	2.4
148.16531	0.6
149.04573	2.4
159.02975	4.8
161.02444	0.8
161.04556	15.6
191.05627	11.4
233.06796	0.9
342.60431	0.6
399.18430	1.0
399.23853	33.2
531.28125	100.0
532.28345	1.0
591.28186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52998	0.4
51.88602	0.4
57.03446	0.4
57.93880	0.3
59.01374	16.1
59.01671	0.6
61.98829	1.8
67.01884	0.4
71.01373	5.7
72.75497	0.4
73.02945	1.7
76.69372	0.4
82.25144	0.4
82.95415	2.2
83.01383	0.6
83.04984	0.4
84.95108	3.4
85.02933	11.8
85.03416	0.6
87.00864	3.6
88.98797	0.5
89.02451	2.0
91.05530	0.4
93.03432	5.9
94.92339	0.4
95.01376	0.5
97.02917	0.4
98.55224	0.4
99.00845	0.9
101.02425	2.2
107.05045	2.0
109.02898	0.4
111.04482	1.6
113.02460	1.7
117.03394	0.5
125.02401	0.4
127.03959	2.3
133.02943	6.6
134.03716	7.1
135.04503	96.0
136.04843	0.5
149.04561	0.6
155.03572	0.5
161.02432	16.3
167.78966	0.4
173.04445	2.8
175.03937	0.5
179.03484	36.7
191.05600	100.0
192.06056	0.5
199.97801	0.4
223.52733	0.4
259.98383	0.4
313.03479	0.6
328.05875	0.8
353.08734	11.4
376.14426	0.4
388.58990	0.4
399.23758	0.6
428.19049	0.4
429.24863	4.2
460.14587	0.5
487.32333	3.8
505.33661	2.0
531.28125	1.9
591.28143	35.6
592.28510	0.7
593.96503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
58.94425	0.7
59.01374	21.2
60.99329	0.8
61.98829	3.0
62.56054	0.6
62.63007	0.7
67.01882	2.9
69.03420	0.7
70.80262	0.7
71.01369	8.6
80.57201	0.7
80.96497	1.7
83.05028	1.2
85.02943	17.2
87.00881	4.0
87.04522	0.8
88.98818	1.0
89.02426	2.7
93.03445	17.9
94.98108	0.9
96.95975	1.0
101.02387	1.1
108.21820	0.7
109.02939	3.2
111.04517	5.9
113.02428	1.2
127.03998	4.1
128.24579	0.8
133.02893	1.0
135.04494	4.2
142.64867	0.7
149.04594	0.8
154.88939	0.7
155.03445	0.9
160.01646	3.6
161.02423	0.8
173.04556	11.9
179.03531	1.3
191.05602	100.0
191.76762	0.8
192.06001	1.0
355.22794	0.9
381.23901	0.9
399.21872	5.7
429.19122	1.7
429.24936	40.0
430.25333	1.2
472.11887	0.9
487.32709	5.4
505.33447	1.7
513.28699	1.0
531.29065	1.8
548.69275	0.9
591.26978	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	591.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90158	0.5
59.01384	6.6
60.99298	0.8
61.98822	0.9
67.01900	1.4
71.01374	4.0
72.99298	0.8
83.05022	0.8
85.02945	10.9
87.00865	5.8
88.98817	1.3
91.37996	0.6
92.10165	1.4
93.03444	15.9
96.72079	0.7
105.56711	0.6
109.02970	1.0
111.04498	1.4
113.02422	2.4
115.96954	0.7
124.01616	0.9
125.02402	0.9
127.03996	3.9
128.93709	0.7
132.02129	3.9
134.03674	3.1
135.04515	20.1
137.02429	1.4
150.03238	0.6
151.04010	3.1
160.01651	13.6
161.02379	1.1
165.03300	0.6
171.02890	0.7
173.04543	3.6
178.02657	0.8
179.03517	6.0
191.05603	100.0
191.61084	0.7
192.05981	0.9
224.74545	0.7
308.09000	2.7
352.07788	2.2
399.21664	8.5
429.24951	4.7
531.28278	3.9
591.28247	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	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.40095	1.1
70.70945	1.4
71.01373	48.1
71.01743	1.8
72.99296	1.6
73.02949	1.7
79.05528	1.5
81.07098	2.5
81.75977	1.2
83.01399	5.5
85.02927	10.0
87.00896	1.6
89.02431	51.4
89.02960	2.4
92.10822	2.6
92.55046	1.5
93.03471	1.3
95.01367	2.0
95.05003	2.5
99.04510	14.5
101.02425	30.0
102.76950	1.3
111.04523	2.2
113.02438	13.7
119.03496	15.6
120.43552	1.2
124.68416	1.3
125.02443	1.2
135.04507	2.7
143.03470	2.0
145.10240	1.4
147.11748	3.1
151.00429	1.2
152.32893	1.2
161.04568	4.4
161.13351	22.4
164.60808	1.2
168.61884	1.3
172.08955	1.4
173.13470	1.4
175.11240	1.7
175.89656	1.4
179.05531	10.2
185.09708	2.8
185.13361	7.4
187.11266	44.8
191.05620	8.7
201.12971	2.4
203.14481	3.0
205.12335	43.4
205.13913	1.1
219.13846	1.6
229.12335	24.1
241.12187	1.3
247.13402	5.1
249.11296	40.8
259.13391	1.8
273.11179	1.9
291.12390	7.8
321.13266	1.4
330.62930	1.4
335.62521	1.3
351.14569	8.6
385.18704	7.6
411.16776	9.4
429.11819	3.1
429.17624	93.1
471.18744	6.3
501.19867	6.8
531.20996	19.2
591.22888	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.65199	0.3
53.05773	0.3
71.62481	0.3
85.82117	0.4
87.87241	0.4
102.19643	0.4
106.06581	0.5
133.35873	0.4
179.06793	0.5
262.49573	0.5
305.61783	0.5
314.73297	0.5
429.17065	0.7
442.18048	0.5
443.22379	2.5
444.19537	1.7
445.20239	2.4
455.22559	0.9
456.23441	0.8
457.20148	0.7
459.21756	3.8
462.20767	0.8
471.20880	1.9
471.25671	2.6
472.22543	2.5
473.24048	0.6
482.21011	1.7
485.19803	2.5
487.25589	3.7
497.23550	4.0
499.21378	5.0
500.22217	14.5
513.23499	0.6
514.23328	0.7
515.24506	100.0
516.25195	3.2
518.23236	0.7
559.23492	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53220	1.1
53.88170	1.1
59.01377	100.0
63.04580	1.1
71.01372	45.2
72.99326	2.1
73.02912	1.5
82.13690	1.3
83.01379	6.4
85.02948	9.5
87.00861	2.7
89.02430	45.0
93.03449	2.1
93.07111	1.5
95.01373	1.8
95.05003	2.2
99.04497	16.6
101.02423	23.7
107.05045	1.4
109.06595	1.6
110.41116	1.2
111.04491	2.6
113.02411	16.4
119.03477	14.3
120.05785	1.5
135.04424	2.1
137.06142	1.6
138.15593	1.3
147.11775	5.8
149.06042	1.5
157.06683	1.7
159.41508	1.1
161.04510	2.7
161.13364	23.0
173.13284	2.1
179.05592	12.7
185.09732	5.0
185.13324	14.6
187.09599	2.0
187.11275	59.5
191.05571	6.8
203.14403	6.4
205.12331	36.5
229.12338	36.7
247.13374	7.1
249.11330	22.2
259.13425	3.1
273.11362	3.1
291.12421	8.5
321.13074	1.6
351.14334	10.5
369.06229	1.8
385.18585	11.3
404.06232	1.5
411.16495	9.8
429.11679	2.0
429.17627	59.1
453.17593	2.4
471.18747	8.4
501.19620	5.7
531.20789	34.0
591.22888	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	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37403	0.3
54.19954	0.4
54.81612	0.4
55.01886	3.5
57.03442	3.2
58.00617	0.4
59.01379	100.0
61.17303	0.4
63.12231	0.4
68.22997	0.4
71.01373	19.1
71.05055	0.4
72.99313	0.5
73.02927	6.8
82.95387	0.7
83.01382	5.6
85.02941	15.8
85.06585	0.5
86.00112	1.6
87.00813	1.3
88.50941	0.4
89.02435	1.0
93.03436	0.5
94.94131	0.5
95.01371	2.1
97.02927	0.8
97.06546	2.9
99.00868	2.3
101.02429	14.0
105.83281	0.4
111.00847	1.4
112.01617	0.6
113.02434	8.9
121.10234	0.4
125.02415	0.6
129.01906	0.5
143.03526	1.5
159.02963	0.8
161.04530	3.3
191.05595	2.7
213.18565	2.1
225.18614	0.8
237.18549	0.5
281.24985	0.9
293.24829	2.5
305.24863	2.2
311.25958	0.8
323.25955	0.6
341.27057	3.5
421.20172	0.5
449.29028	1.6
467.30154	6.9
485.31174	27.5
486.31412	0.5
503.32230	27.0
504.32486	0.5
545.33307	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	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96824	0.8
55.01899	1.0
57.03460	2.0
58.00599	4.7
58.67130	0.9
59.01384	100.0
65.40546	1.0
66.86675	0.9
71.01377	50.0
72.99317	2.1
73.02942	2.0
79.05503	1.6
81.03435	1.1
81.07095	1.8
83.01403	4.7
85.02948	15.3
87.00892	2.0
89.02434	59.7
92.61651	1.0
93.03455	1.7
95.01373	6.2
95.05014	4.3
99.04494	15.4
101.02422	28.2
101.03030	1.7
107.05064	1.6
109.02920	1.2
111.04499	4.7
113.02437	21.0
119.03468	14.4
120.05811	2.3
126.90340	1.5
131.03474	2.1
133.06572	1.4
135.04549	2.0
143.03468	1.6
147.11787	4.5
148.09003	1.3
149.04636	1.8
150.34291	1.1
161.04561	5.5
161.13332	23.1
169.10323	1.2
172.08923	1.7
173.13306	2.6
174.62190	1.0
175.11232	1.6
179.05591	17.8
185.09679	4.9
185.13321	11.6
187.11266	59.4
191.05597	13.0
201.12767	1.3
203.14404	5.0
205.12325	38.0
221.06763	1.4
229.12317	28.5
231.10225	1.5
247.13425	8.4
249.11293	28.5
259.13382	1.5
271.13126	1.3
273.11255	2.1
277.14728	1.1
291.12430	8.5
321.13406	1.6
351.14304	10.3
385.18723	11.4
411.16675	11.8
429.17609	58.8
453.17709	3.5
471.18811	8.8
501.19644	6.5
531.20868	30.2
591.22931	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91687	1.1
55.01898	1.4
56.02696	1.1
57.03443	1.8
59.01380	100.0
61.98838	9.4
67.53276	1.3
71.01370	21.6
73.02939	3.1
73.85700	1.3
75.00903	1.4
81.74286	1.6
82.95415	2.5
83.01386	3.8
84.95115	2.7
85.02936	15.8
86.00117	3.7
87.00860	13.1
87.51724	1.3
88.32170	1.4
89.02428	2.4
92.10196	2.9
93.03441	2.3
96.95965	2.3
97.02878	1.6
99.00885	5.8
100.46167	1.8
101.02417	12.3
110.57286	1.4
111.00867	2.1
113.01728	1.6
113.02461	12.6
116.92786	2.2
125.02432	1.9
129.01938	1.9
131.03529	2.0
135.04550	6.2
161.04558	3.3
191.05563	10.4
211.20656	1.7
239.20023	1.7
295.26337	2.7
325.33545	1.7
341.26816	13.4
395.27850	2.8
409.11996	1.6
485.31122	43.0
503.32407	22.5
589.32367	6.3
590.32416	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84233	0.5
55.01874	2.9
56.16592	0.5
57.03446	2.7
58.00594	0.7
59.01376	100.0
60.61355	0.6
60.89997	0.6
61.50596	0.5
71.01372	17.5
71.05000	0.7
73.02939	7.1
78.17022	0.6
82.95385	6.9
83.01375	7.8
83.05012	0.6
84.00906	0.6
84.95105	24.7
85.02933	16.0
85.06586	2.4
87.00882	0.9
88.98781	0.7
89.02432	1.4
89.31736	0.6
93.03433	2.6
95.01383	3.2
97.02947	0.9
97.06562	3.5
99.00866	3.4
101.02431	10.8
113.02439	9.1
121.10185	0.9
125.02406	1.1
125.09766	0.8
133.02913	1.0
135.04501	3.9
143.03510	1.0
159.03026	0.8
161.04538	1.1
163.70262	0.6
164.43613	0.7
191.05643	9.1
209.11806	1.5
213.18622	1.5
225.18520	0.9
246.62772	0.8
270.96249	0.7
281.24756	2.9
305.24728	3.3
341.27112	4.4
449.29022	0.9
467.30020	4.3
485.31229	36.4
503.32361	26.3
529.27460	0.7
545.34082	3.4
589.26202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19887	1.2
55.01881	1.9
57.03450	7.8
58.00604	2.1
59.01378	100.0
68.99859	1.5
69.03449	19.3
71.01376	47.7
71.01749	2.4
72.99284	2.9
73.78050	1.5
75.00867	3.1
83.01394	6.6
83.04999	1.8
84.44810	1.9
85.02942	26.2
87.00869	7.6
88.98774	1.7
89.02435	33.2
90.27663	2.0
91.78475	1.4
93.03463	6.2
95.01396	5.9
96.96004	14.6
97.02943	14.4
99.00875	7.2
99.04523	8.2
101.02433	14.6
109.02952	2.5
111.00881	8.7
111.04532	2.6
113.02444	15.1
116.92863	3.0
119.03494	11.0
123.04487	1.7
128.64856	1.6
129.01926	29.3
135.04547	2.6
141.01956	17.1
159.02953	25.2
161.04504	2.1
161.13344	39.0
177.03973	12.1
179.05644	2.7
187.11287	34.2
188.79199	2.0
191.05603	27.2
205.12340	43.4
223.80772	1.7
227.12970	1.6
229.12184	5.7
247.13463	2.1
249.11301	23.6
262.43073	1.4
357.40787	1.7
391.13843	1.6
409.15054	74.5
409.20535	2.4
429.17685	13.5
545.79755	1.9
571.20184	2.6
589.21460	67.1
589.30566	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	589.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10205	1.1
51.32547	1.1
54.81416	1.1
57.75577	1.1
59.01353	1.4
60.99302	17.7
62.79383	1.1
68.55358	1.1
85.02950	5.1
87.00858	24.5
88.98789	100.0
91.05521	22.3
92.10094	1.7
93.03481	3.0
96.96004	15.9
114.59685	1.3
135.04485	7.8
145.06569	2.5
149.06122	1.4
163.03989	42.0
191.05614	24.1
192.05988	2.1
251.05602	18.7
297.67941	1.5
385.81683	1.5
499.10727	3.0
499.79492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81533	1.3
57.03460	8.3
58.00594	2.2
59.01378	100.0
62.82517	1.4
69.03452	15.0
71.01371	49.1
72.99303	2.7
75.00859	3.1
83.01382	6.7
83.05040	2.4
85.02936	22.6
87.00880	9.9
89.02428	38.4
93.03484	2.9
95.01380	3.2
96.95995	6.1
97.02933	8.4
99.00869	7.2
99.04527	8.9
101.02424	16.4
111.00846	11.2
111.04496	1.6
113.02448	17.5
119.03504	8.7
120.30627	1.8
129.01924	33.9
135.04478	3.0
141.01923	14.8
159.02986	28.0
159.11757	2.1
161.13344	54.7
177.04037	7.9
179.05556	3.5
183.13884	3.4
187.11272	41.3
191.05621	12.4
201.12819	1.8
205.10506	3.1
205.12332	53.1
229.12317	3.3
249.11270	22.3
272.21762	1.9
293.14813	1.7
390.71356	1.8
391.14481	1.9
391.19699	3.2
409.09891	3.1
409.15079	67.4
411.16827	2.5
415.43353	2.0
429.17599	7.2
571.20361	8.1
589.21399	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3954
Annotation	Argentinic acid B
Peak:m/z	Relative Intensity
58.19908	1.0
59.01389	1.8
59.88271	1.3
69.50961	1.3
69.96188	1.3
70.49362	1.2
78.65517	1.0
87.67557	1.2
115.92081	1.5
191.05562	2.1
198.75734	1.3
244.49400	1.3
263.97113	1.6
271.06000	1.3
322.17859	1.5
343.09381	1.2
587.39539	100.0
588.39728	3.1
603.36786	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3948
Annotation	Argentinic acid B
Peak:m/z	Relative Intensity
51.49468	0.6
59.01382	1.4
61.91024	0.7
61.97717	0.6
61.98832	1.5
74.57330	0.8
92.10717	1.4
93.03470	1.3
111.22934	0.7
115.92050	1.5
135.91064	0.8
177.72417	1.0
180.38741	0.9
191.05591	1.9
247.72345	0.8
270.34549	0.8
277.21817	0.8
460.94092	0.9
525.26263	1.0
532.21863	0.9
536.83221	0.9
587.39532	100.0
588.40369	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29428	1.5
57.18600	1.3
61.98831	51.8
63.09086	1.3
71.05023	3.3
75.74876	1.4
82.95409	37.1
84.00914	2.9
84.95149	3.0
92.10902	2.5
124.92263	1.5
169.46968	1.6
176.20163	1.5
184.98045	1.6
191.05653	3.4
192.31433	1.8
224.32480	1.6
245.61760	1.8
260.46710	1.6
267.56894	1.5
295.18292	1.6
324.46588	2.3
397.31247	1.7
457.33142	9.9
503.33774	100.0
503.41165	3.5
588.31549	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10316	0.6
53.56843	0.7
54.52024	0.9
64.41882	0.8
76.32803	0.7
78.95893	3.0
83.74314	0.8
96.96962	4.6
98.47446	0.8
99.00883	0.9
99.92551	7.6
100.93351	10.7
115.92059	100.0
116.92833	3.8
119.20556	0.8
145.78687	0.7
156.97543	0.7
167.80455	0.8
183.84976	0.7
191.05670	0.9
207.09967	0.8
487.34192	1.2
488.34430	1.5
489.34921	1.1
587.26843	44.9
588.27850	1.2
595.85638	0.9
601.25244	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	587.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19481	0.8
78.95902	5.4
82.95399	1.3
85.63052	1.0
96.40936	0.9
96.96950	6.7
99.00848	1.2
99.92529	9.8
100.93353	11.0
115.92052	100.0
116.92085	1.1
116.92844	5.1
141.97903	0.9
161.93712	1.0
191.05551	1.4
348.45490	1.2
362.25275	1.0
375.36731	1.1
383.16971	1.1
408.31967	1.2
434.93332	1.2
487.34302	1.6
587.26788	44.4
601.24457	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2995
Annotation	Circinadine A
Peak:m/z	Relative Intensity
61.98822	100.0
65.08372	3.3
75.26951	3.1
82.95433	6.4
84.00895	30.5
92.09997	5.8
96.95975	3.7
103.53167	3.1
134.44774	3.3
256.27649	3.4
483.31219	6.1
501.32138	7.4
586.30121	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2997
Annotation	Circinadine A
Peak:m/z	Relative Intensity
61.98827	100.0
75.08241	1.4
78.25024	1.6
82.15821	1.6
82.95408	1.6
84.00904	10.6
85.86491	1.3
86.77009	1.6
92.10802	3.8
93.03484	2.0
99.92560	3.9
102.77511	1.6
115.92068	1.9
160.70547	1.7
191.05580	6.8
407.29297	1.8
409.31198	12.5
501.32214	3.4
502.32025	1.9
556.28796	6.1
574.76636	1.7
586.30029	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76626	0.3
53.95770	0.2
54.19316	0.3
59.01387	0.7
61.98835	0.3
65.03976	0.6
68.97764	0.3
69.03455	0.5
71.01376	1.3
79.01879	0.3
81.03461	0.7
82.95412	2.5
83.05045	0.6
85.02954	0.7
93.03429	6.7
95.05010	1.2
96.96024	0.5
106.03494	0.7
106.04214	22.5
107.05003	40.4
108.02155	5.1
108.05310	0.4
109.02969	1.3
113.02425	0.4
113.09736	0.6
116.92833	0.3
120.99206	0.3
121.02926	7.2
138.03200	1.5
145.13458	0.3
150.87462	0.3
159.37721	0.3
161.04510	0.6
171.08234	0.5
185.11807	21.5
191.05524	0.4
213.09206	100.0
214.09586	0.8
249.62305	0.3
257.08170	69.8
258.08450	0.4
389.26285	0.4
425.19476	0.4
587.24994	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	587.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46515	0.6
59.01389	3.4
61.98821	5.8
61.99087	0.4
93.03446	4.7
95.01362	0.7
101.37156	0.6
105.03429	0.5
107.01390	0.9
117.19008	0.6
121.02936	18.9
122.03740	11.1
123.04507	0.8
124.01661	0.6
132.02133	0.8
132.23706	0.6
133.02945	5.1
134.03677	0.9
135.04500	2.3
136.01637	1.1
149.02426	68.1
150.03209	100.0
151.00348	1.2
151.03592	1.1
164.04778	12.1
165.05545	73.1
166.06332	62.7
167.07156	4.7
168.00702	0.7
175.03917	0.9
180.04260	5.6
181.08690	35.4
181.10287	1.3
185.82597	0.6
191.05667	2.3
195.06618	32.6
196.07159	0.9
228.81293	0.6
285.04025	15.2
342.11142	1.1
343.11966	1.2
357.13428	6.1
357.17175	0.8
539.22839	37.7
540.23065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80228	2.3
59.01373	24.4
61.98835	15.9
62.43361	2.1
66.22897	2.0
67.38833	2.0
67.63382	2.2
71.01372	8.9
71.67697	2.2
78.64632	2.2
82.95453	3.2
83.79744	2.4
85.02955	4.6
87.00897	3.0
89.02451	3.5
93.03458	12.5
94.48361	2.7
96.95979	3.3
101.02496	3.0
105.89116	2.4
108.02188	4.2
109.02954	3.9
113.39405	2.8
121.02937	2.4
122.77157	2.4
123.44783	2.5
133.02985	3.0
135.04495	24.5
137.02455	5.7
152.48836	2.6
162.92685	2.3
165.51498	2.3
173.04578	5.8
175.48027	2.4
177.01921	3.2
183.13864	4.0
185.11324	2.5
189.01900	30.2
191.05600	41.7
217.01437	57.4
218.01778	3.2
244.21010	2.8
327.05215	23.8
351.07303	3.1
407.29657	9.6
425.30902	3.1
457.33441	9.4
477.91434	2.6
490.56418	2.9
503.33871	63.6
539.44031	2.5
585.34125	100.0
585.66608	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27985	1.7
52.21604	1.9
59.01379	19.8
61.98830	15.4
65.34310	1.9
71.01379	3.6
78.95914	2.5
80.52256	2.0
80.91675	4.4
82.95426	3.4
93.03444	2.4
96.96008	10.7
96.96946	3.5
99.53570	2.3
99.92578	3.9
101.02404	2.7
107.07387	2.7
109.02940	4.0
115.92071	9.5
116.92834	41.1
135.04488	3.0
149.29295	2.5
177.01955	4.0
189.01952	14.4
191.04047	2.5
191.05591	20.5
217.01399	36.8
327.05008	9.3
441.33755	15.7
473.32684	92.0
485.32886	3.9
503.33899	46.9
585.15894	4.3
585.34100	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	585.3406
Annotation	CHEBI:70539
Peak:m/z	Relative Intensity
51.36906	0.9
53.34818	0.8
59.01382	4.2
59.31205	0.9
61.98817	3.7
74.35647	0.9
80.91686	7.2
116.92790	1.3
121.56669	0.8
122.12517	0.8
191.05556	3.3
217.01308	1.5
310.38293	1.0
389.28339	1.0
393.31747	1.1
393.86569	0.9
401.28375	1.5
407.29709	3.6
409.31158	6.4
421.31305	7.1
425.30634	1.9
439.31812	1.4
441.33862	11.7
453.30203	1.9
457.33411	7.2
473.32700	4.7
485.32755	6.5
503.33777	57.5
585.34113	100.0
586.34698	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	585.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76271	0.6
54.19876	0.6
54.81342	0.7
57.03451	0.6
63.76910	0.6
71.05028	4.7
72.79029	0.6
72.99312	1.2
76.01211	0.7
80.91692	13.2
87.00877	1.0
92.10104	1.5
125.09702	1.7
145.00266	0.7
153.27634	0.7
191.05630	1.4
275.45044	0.8
397.31305	2.5
413.34299	3.5
437.31012	1.0
457.33063	12.0
464.75546	0.8
477.29562	0.9
479.31448	4.3
481.33057	7.2
485.32825	3.3
493.29385	7.2
495.30826	3.7
498.56750	1.0
503.33777	100.0
504.34052	1.6
511.30481	3.2
523.30316	1.6
525.31927	17.1
537.28424	1.5
585.24988	1.7
585.34027	29.3
592.97778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33838	0.3
53.78035	0.3
54.47208	0.3
56.45597	0.3
57.01022	0.3
61.91146	0.4
73.55707	0.3
78.95898	2.8
92.10161	1.1
96.95975	0.6
96.96933	2.8
99.00871	0.4
99.92568	13.2
100.93349	10.1
115.92057	100.0
116.92094	0.6
116.92844	4.1
117.92450	0.4
132.92310	0.8
191.05612	0.4
383.03394	0.4
406.77380	0.4
486.33453	0.4
487.33734	0.5
585.25269	43.0
586.25775	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	585.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11881	0.8
56.43980	0.9
58.85978	0.7
59.01382	1.6
61.98832	2.1
75.08491	0.8
78.95876	9.2
82.95410	1.3
90.54774	0.9
92.10800	1.0
96.95974	4.4
96.96941	15.3
99.00897	1.6
99.92566	34.5
100.93343	13.2
105.04220	1.0
115.92059	100.0
116.92014	1.2
116.92843	31.9
146.08478	0.9
153.50299	1.0
191.05620	2.1
485.32639	2.1
487.33521	1.9
489.19272	6.8
567.24237	2.2
584.49670	1.0
585.25238	77.9
586.26440	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	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66277	0.1
54.72647	0.1
56.37288	0.1
59.01374	2.0
60.99276	0.3
61.77875	0.2
61.84301	0.2
61.98822	17.4
71.01361	0.8
73.02937	0.3
74.92890	0.2
77.03946	0.3
77.54007	0.2
82.95389	0.7
85.02937	1.3
88.98779	1.4
93.03440	5.0
95.01326	0.4
95.05006	0.4
95.17822	0.2
96.95990	0.8
101.02401	0.2
105.03484	0.2
107.01385	0.2
107.05051	0.3
108.02172	0.2
109.02925	0.9
116.92890	0.3
121.02934	6.1
122.03720	12.5
123.04491	0.8
124.01648	0.2
125.02390	0.4
132.02135	0.4
133.02948	1.8
134.03708	0.8
135.04492	1.1
136.01646	1.0
137.02417	1.2
147.04512	0.3
148.01620	0.3
149.02422	41.7
150.03207	100.0
151.03975	1.4
154.02658	0.2
160.01663	0.9
161.02373	0.3
162.03223	0.2
164.04767	7.6
165.05545	73.6
166.05930	1.0
172.05284	0.2
177.01872	0.2
179.07077	2.2
180.04279	5.7
181.05099	0.4
183.13837	0.2
189.01939	0.3
191.05597	5.1
192.05974	0.2
195.06609	32.2
196.07193	0.2
211.09712	0.2
212.04721	0.3
216.00636	0.2
217.01431	0.3
227.03635	0.3
227.07133	0.2
228.04375	0.2
239.07050	0.2
240.04286	0.4
241.24634	0.2
242.09474	0.9
253.05092	0.4
255.06572	0.3
255.10458	0.2
256.03882	0.8
257.08179	0.2
257.11850	0.4
258.08984	0.2
267.06650	0.4
267.10101	0.3
269.08234	0.9
270.08932	2.7
271.09729	0.8
279.06454	0.2
281.08179	0.2
282.09045	0.7
283.06775	0.3
283.09793	2.2
285.08398	0.3
285.11249	2.3
286.08441	0.4
295.06290	0.3
295.09714	0.4
297.07779	0.9
297.11359	0.9
298.08463	1.7
299.09363	2.3
299.12985	1.7
301.10986	0.9
309.07925	0.3
310.08560	0.9
311.09259	1.6
312.09985	0.4
313.10883	1.7
314.07925	2.1
315.08752	0.7
323.09482	0.2
324.10065	0.3
325.10901	1.3
326.07974	0.9
326.11697	1.5
327.08698	1.2
327.12482	4.2
328.09329	0.4
328.13147	8.0
329.10281	6.4
330.11093	2.8
341.10303	6.4
341.13922	0.7
342.10834	0.6
343.11902	0.3
343.15527	1.5
344.12631	7.0
345.13446	4.9
355.11963	0.8
356.12729	2.5
357.13605	1.4
359.14999	13.8
360.15552	0.4
371.14981	9.8
371.19479	0.3
381.62454	0.2
461.15851	1.9
463.18039	0.9
492.17740	1.5
500.83170	0.2
507.20151	5.8
519.20459	0.8
524.34814	0.2
525.36670	0.3
537.21289	28.2
538.21912	1.1
555.22760	0.3
585.23444	4.1
585.30786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13511	0.3
54.12829	0.4
59.01369	0.8
59.40688	0.4
60.30276	0.4
65.03966	0.9
69.03450	0.6
71.01370	1.7
72.64437	0.4
73.26965	0.4
80.91657	3.9
85.02934	0.7
93.03436	8.7
101.02419	0.8
106.04229	23.5
106.14950	0.4
107.05018	38.9
108.02158	5.0
109.02941	0.5
109.50388	0.5
111.04536	0.5
121.02952	8.0
129.39929	0.5
133.02957	0.5
135.04506	0.7
138.03201	1.7
139.11272	3.0
173.04671	0.6
183.10205	6.8
191.05615	5.8
209.11885	0.9
211.13438	0.9
213.09207	100.0
214.09514	2.4
215.05746	0.5
257.08182	64.0
258.08521	0.9
313.22931	0.5
319.36749	0.5
415.92325	0.5
585.23303	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	585.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26004	0.1
54.81572	0.1
58.17049	0.2
59.01385	0.2
59.90504	0.2
65.07583	0.1
75.21465	0.1
79.95738	0.7
85.02934	0.3
93.03442	0.2
96.95986	57.9
109.04488	0.2
176.79683	0.2
191.05588	2.2
192.05856	0.2
247.06430	100.0
248.06862	1.7
250.86497	0.2
486.70404	0.2
528.65692	0.2
612.88239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	24.8
57.03442	5.8
59.01375	96.7
61.98830	3.0
63.38595	2.2
67.01896	2.5
68.45304	2.0
71.01372	97.6
72.99306	25.1
73.02937	10.2
73.46246	2.1
75.00866	13.1
75.70754	2.0
81.86083	2.0
82.95432	4.3
83.01387	36.5
85.02961	28.3
87.00858	23.2
89.02434	38.4
89.35495	2.0
93.03465	17.6
95.01389	4.0
96.96027	8.9
99.00880	12.5
99.04498	12.4
101.02458	19.2
109.02931	20.9
111.00900	20.4
112.98800	4.0
113.02425	23.9
115.00336	31.8
115.41309	2.4
116.92857	9.1
119.03436	10.5
124.98750	4.1
125.02483	2.8
127.00384	18.2
129.01894	12.5
135.04503	12.1
137.02448	23.8
142.99846	37.8
145.01413	79.8
146.07310	2.5
147.00839	3.2
147.02893	2.5
149.06018	2.9
151.03938	3.0
154.99861	91.6
159.04501	3.0
161.02356	2.7
161.13329	16.2
162.06839	3.3
165.01913	100.0
165.05632	2.8
166.02733	5.0
173.00903	20.9
173.04530	4.1
173.05923	7.7
174.04697	2.7
175.02441	18.6
177.01895	3.4
178.05992	2.4
179.03456	15.8
179.05592	2.3
180.04279	34.1
185.13235	3.5
187.11240	15.0
188.04799	5.4
191.05594	64.6
191.07178	4.7
192.05992	2.8
195.06563	23.6
197.91086	2.2
197.93372	2.1
202.99857	2.5
203.07072	3.2
205.12299	25.8
207.78925	2.6
210.05246	3.3
216.07906	3.0
225.07680	5.5
227.14304	2.5
229.12384	3.7
241.05070	5.0
245.15352	5.4
249.11215	4.3
255.06451	3.7
259.13376	3.1
271.02350	3.3
271.13419	30.3
289.14441	18.1
299.09268	3.9
300.02863	4.7
313.10733	4.4
315.12292	9.7
333.13202	8.1
343.11966	4.4
344.12546	11.4
359.15030	18.5
379.14182	8.6
387.16037	3.4
429.17688	4.3
469.17239	3.0
491.17044	11.5
537.21411	74.6
541.18695	2.7
557.18896	22.0
585.17273	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	584.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.2
58.37362	0.1
59.01371	1.3
61.98824	100.0
62.23289	0.1
67.44537	0.1
68.51580	0.1
71.01375	0.4
75.35085	0.1
76.34250	0.2
81.52619	0.1
85.02953	0.7
93.03391	0.2
101.02428	0.4
104.98744	0.1
150.03250	0.3
165.05522	0.2
166.05923	0.2
174.47299	0.2
175.66451	0.2
191.05618	0.9
206.34171	0.2
338.56482	0.2
366.63873	0.2
384.88544	0.2
402.66946	0.2
409.37955	0.2
523.34454	0.9
524.34930	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	583.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.1
61.98837	1.0
62.38270	0.8
64.33392	0.8
70.71783	0.8
87.58262	0.9
94.07302	0.8
94.98122	1.1
96.96020	1.0
96.96965	1.3
115.88402	0.9
116.91119	0.8
124.28802	0.8
199.10295	1.0
203.93486	0.9
377.28445	2.2
393.31601	2.1
423.32785	9.1
425.34436	1.7
439.31854	1.3
441.33969	3.4
467.31705	1.7
469.32950	6.8
487.34277	100.0
488.34589	4.8
489.34912	6.3
583.24829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58001	0.6
51.11834	0.6
55.01879	4.1
57.03447	4.5
59.01376	36.4
59.01674	1.2
61.98824	26.2
61.99141	1.1
68.59177	0.7
71.01373	25.2
72.99290	1.2
73.02934	9.8
73.54688	0.7
75.00866	0.8
83.01381	5.8
85.02944	18.0
87.00867	3.6
87.04478	1.5
88.98792	1.3
89.02436	8.8
93.03443	2.9
95.01380	1.5
96.96004	0.8
99.00861	3.2
101.02431	20.7
108.02135	0.7
109.02937	4.7
111.00865	3.6
113.02433	10.7
116.13898	0.7
116.92858	0.8
119.03467	1.5
121.02940	25.5
125.02413	1.2
133.02919	0.9
135.04492	1.0
142.29706	0.7
149.02335	0.8
150.03192	1.1
152.01138	1.4
153.01947	1.1
159.02986	0.7
161.04568	1.7
165.01904	13.7
177.01933	7.3
183.13905	0.9
185.15402	1.4
189.01912	7.6
191.03827	1.0
191.05562	8.0
216.00644	6.5
217.01299	5.5
229.01443	2.6
229.18044	0.8
231.02568	0.7
341.06989	1.2
345.26450	1.1
354.62976	0.8
359.27982	3.8
361.29587	9.4
371.52896	0.9
419.11270	7.1
458.04865	0.8
519.20197	0.9
523.34814	100.0
524.34882	2.8
547.16107	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	583.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48922	2.7
55.64924	3.3
56.52671	3.0
62.63789	3.2
63.58190	3.2
65.17254	3.0
68.44016	3.1
68.69157	2.6
74.31245	2.7
77.51830	3.1
83.74028	3.8
85.50271	3.4
92.10211	8.2
94.98108	6.0
95.28070	3.5
101.53419	3.3
109.38455	3.5
111.90106	3.8
119.20270	3.5
141.13593	3.3
151.47133	3.2
174.41145	3.5
189.33846	4.0
191.05655	5.2
202.26007	3.3
261.55029	3.6
262.64780	3.5
293.47855	3.4
487.34293	100.0
488.34515	4.1
489.34756	4.4
583.32471	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	583.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63873	0.9
62.85392	0.8
66.09660	0.9
78.95912	1.4
92.10188	2.5
94.98071	5.0
96.96954	2.4
108.04535	1.1
141.54697	1.2
147.52177	0.9
147.53557	1.0
182.42618	1.2
203.70612	1.1
234.78934	1.1
246.78748	1.2
292.01602	1.1
468.23892	1.3
487.34271	100.0
488.34439	5.2
489.34927	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	583.325
Annotation	Huratoxin
Peak:m/z	Relative Intensity
53.89662	1.3
59.01373	8.2
61.98832	19.6
62.25047	1.4
62.36866	1.2
71.01395	1.8
80.91672	2.2
82.01722	1.3
83.05016	14.4
86.09163	1.5
86.33991	1.2
88.00372	1.5
96.95988	5.9
101.02480	1.3
116.92851	6.2
151.00427	1.5
161.20644	1.5
189.01929	6.4
191.05664	4.6
217.01421	15.1
248.04959	1.6
284.18317	1.4
325.25247	2.2
327.05161	3.1
341.24826	1.8
353.24872	3.2
373.27234	2.0
403.26721	1.7
441.29889	1.5
451.28662	2.3
457.33252	6.4
471.31216	2.2
483.31192	32.9
501.32205	61.7
523.34418	2.1
529.16553	1.6
583.32556	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	583.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28617	2.9
59.01385	21.6
59.67306	3.6
61.25741	4.1
61.98839	18.6
64.65470	3.5
65.13509	3.7
83.05007	4.4
93.03419	4.5
96.96018	18.3
99.28261	4.6
131.68370	4.1
135.04478	5.8
157.16969	3.8
163.66420	4.1
167.26323	3.8
187.17810	3.8
191.05585	22.5
229.60669	4.5
241.70692	4.5
312.33585	4.4
423.21259	5.1
483.31293	34.8
499.70599	4.5
501.32251	90.3
583.32635	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	583.3246
Annotation	Huratoxin
Peak:m/z	Relative Intensity
54.72724	0.7
54.81287	0.7
56.35734	0.6
59.01373	0.7
66.42606	0.7
71.05007	1.1
77.49654	0.7
80.91659	1.6
83.05031	0.7
84.43372	0.7
86.17068	0.7
86.29952	0.7
96.96007	1.0
101.06053	1.8
113.06052	0.7
120.54062	0.8
120.79799	0.8
124.43488	1.0
129.62134	0.9
138.56107	0.8
145.68307	0.9
145.92368	0.7
375.26947	3.8
379.30066	10.0
391.25702	1.1
391.30157	18.5
393.28027	4.7
407.29788	0.9
409.31219	17.0
423.29080	3.1
427.32364	1.4
439.32300	1.2
453.30182	1.5
455.31790	7.8
471.31168	13.9
483.31000	5.8
487.34351	1.7
501.32190	62.0
502.32776	1.2
578.93500	0.8
583.32513	100.0
584.32690	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	583.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99792	0.8
61.98828	24.5
63.96214	0.9
65.21465	1.0
66.94247	1.1
71.05016	4.5
80.91680	7.1
98.77790	1.1
108.23759	1.0
141.68082	1.0
191.05659	1.1
270.97885	1.0
379.29977	2.6
389.28723	1.4
391.30136	5.7
393.27676	1.3
409.31049	4.5
441.30142	4.9
471.31311	1.4
483.31201	25.9
501.32156	85.0
502.32477	1.9
583.32550	100.0
584.33173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3248
Annotation	Huratoxin
Peak:m/z	Relative Intensity
54.99715	1.0
58.22161	0.9
59.01398	1.6
59.21263	0.9
61.98828	7.6
68.98633	1.1
73.02953	1.5
78.95895	1.2
80.91675	6.9
103.89114	1.1
115.24419	1.0
153.78125	1.1
198.77348	1.2
248.51717	1.1
263.16034	1.2
264.89499	1.1
324.53049	1.0
363.27011	9.4
377.28424	5.7
379.30133	12.6
391.30063	7.1
393.28134	1.6
407.29553	4.8
409.31161	57.9
423.29095	1.4
425.30740	5.2
427.32181	7.3
453.30118	17.1
455.31836	5.0
471.31021	7.0
501.32202	60.9
502.32733	1.6
544.76526	1.1
583.32520	100.0
584.32581	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	583.2372
Annotation	Iryantherin C
Peak:m/z	Relative Intensity
59.15458	0.9
60.37696	1.0
61.98816	1.7
65.25196	0.9
78.67574	1.1
78.91877	12.4
78.95884	2.3
93.41724	1.0
96.96966	4.5
99.00859	1.1
99.92567	41.6
100.93346	9.5
104.71049	1.2
115.92062	100.0
116.92031	1.9
116.92838	35.5
136.02167	1.3
170.93962	1.1
239.81981	1.4
427.90311	1.2
485.31723	2.1
487.18130	6.2
528.97504	1.2
583.23682	87.0
584.23920	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	583.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82119	1.0
55.01872	6.2
57.03445	1.8
59.01376	51.1
61.98831	2.0
69.03413	1.2
71.01372	29.7
72.99293	2.1
73.02940	10.2
75.00873	2.0
77.94897	1.0
83.01379	9.1
85.02937	17.9
86.00090	2.0
87.00864	5.5
89.02428	9.7
93.03450	7.3
95.01385	4.5
95.88985	1.1
96.95967	7.9
97.02861	1.2
99.00859	2.0
101.02428	31.1
106.39402	1.1
109.02953	6.1
113.02447	12.9
116.92830	2.4
119.03472	4.7
125.02431	2.3
135.04460	4.2
137.02440	13.3
138.03207	1.2
149.06068	1.1
149.99522	1.7
150.03198	2.0
151.03989	2.3
152.04726	1.3
153.01901	5.8
161.02380	2.0
164.04785	1.6
165.05522	1.7
168.00618	5.2
173.04572	2.0
177.01860	1.4
179.03539	2.3
181.05029	26.0
182.05690	1.3
191.05621	20.2
194.05911	1.7
196.05708	2.0
196.07404	35.6
197.08118	1.6
209.08060	2.3
210.05283	1.3
211.09756	50.5
255.02957	5.0
283.02496	5.3
284.03238	2.3
292.93542	1.1
358.12549	7.9
373.15039	100.0
375.20062	1.7
391.15750	2.2
431.19223	1.4
470.33771	1.1
523.34766	7.2
583.13293	2.4
583.23938	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98824	100.0
62.44474	0.5
69.94048	0.5
76.63051	0.6
82.32845	0.6
83.05017	1.1
91.36919	0.5
96.96002	9.4
96.96982	0.8
112.93646	0.5
135.76236	0.6
189.01909	2.7
217.01414	4.8
327.05249	1.3
452.28864	2.9
473.32745	0.9
500.31171	4.4
519.33264	29.3
520.33563	1.1
582.31287	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	582.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90794	0.2
56.17749	0.2
59.01390	0.5
61.98822	100.0
73.69926	0.3
76.85304	0.2
137.22752	0.2
264.20032	0.3
274.02045	0.3
368.92764	0.3
419.20786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22004	1.1
56.37925	0.9
56.97007	0.8
59.01377	17.7
71.71500	1.0
78.95889	17.7
81.68948	1.1
105.31026	1.1
109.82686	1.0
151.46257	1.0
152.99582	1.7
160.31543	1.0
161.89438	0.9
165.77625	1.1
168.04303	5.2
189.99030	1.1
217.49304	1.1
224.06841	8.5
283.26431	100.0
284.26807	1.5
505.44305	1.1
508.34097	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89385	0.2
55.01883	0.6
57.03439	0.5
57.30289	0.2
59.01376	10.2
60.01712	0.3
61.98825	100.0
64.32918	0.2
67.01890	0.3
69.03448	0.3
71.01371	6.1
72.01714	0.4
73.02941	1.4
75.60198	0.2
81.41244	0.2
83.01370	1.6
85.02943	4.1
87.00857	0.5
88.98775	0.4
89.02430	1.9
93.03445	1.6
93.07128	0.2
95.01373	0.4
96.95998	0.6
99.00883	0.6
101.02428	4.4
102.02753	0.4
108.67236	0.2
109.03002	0.2
111.00898	0.4
113.02443	1.8
119.03492	0.4
121.02896	0.3
123.04494	0.5
123.08134	0.5
124.04809	0.3
137.02480	0.2
145.02904	1.1
173.04584	1.2
177.55341	0.2
191.05618	3.2
192.05940	0.5
229.08646	0.3
229.18047	0.3
255.26022	0.3
354.10757	0.3
359.28024	1.0
360.28558	2.0
362.19363	0.3
470.33566	0.3
505.49701	0.3
521.33344	4.2
522.33643	18.6
523.33972	0.4
543.95697	0.3
564.22107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26339	0.3
59.01375	0.9
61.98824	100.0
69.00291	0.4
71.04987	0.5
73.67036	0.4
75.25437	0.3
96.95990	2.2
106.33879	0.4
109.02920	0.7
109.77325	0.4
123.88255	0.4
177.01770	0.5
189.01907	1.8
191.05614	0.9
217.01421	5.1
327.05099	0.6
350.09525	0.4
357.90381	0.4
473.32712	0.6
487.91367	0.5
519.33289	22.0
520.33466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80476	0.2
51.35424	0.2
54.41270	0.2
57.50922	0.2
59.01131	0.2
59.01374	2.4
61.98825	100.0
63.22472	0.2
63.99240	0.2
66.13224	0.2
67.01884	0.2
68.46680	0.2
69.03456	0.3
71.01392	1.0
75.00870	0.3
82.07906	0.2
85.02959	0.4
87.00867	0.4
88.75471	0.2
89.02428	0.4
93.03448	1.7
96.96012	1.3
113.09229	0.3
116.92873	0.6
119.04862	0.2
132.37823	0.2
135.04529	0.3
137.02448	0.3
139.20766	0.2
150.03230	0.6
165.05562	0.3
173.04532	0.5
177.01929	0.3
181.83841	0.2
189.01889	0.3
191.03981	0.4
191.05620	4.9
192.05920	1.3
217.01500	0.6
237.92586	0.3
260.20432	0.3
281.02240	0.3
522.33698	0.4
564.21564	2.1
570.43292	0.3
582.22260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26134	0.1
58.27805	0.2
59.01367	1.4
59.02622	0.1
59.79688	0.1
61.98824	100.0
67.09333	0.1
71.01376	1.0
73.02972	0.2
85.02924	0.3
89.02470	0.3
101.02441	0.2
281.82654	0.2
472.90262	0.2
521.32874	0.2
522.33691	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	581.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05009	2.2
94.87115	1.2
101.72443	1.1
116.33718	1.1
153.31590	1.2
208.30573	1.2
278.82391	1.6
286.30405	1.2
393.31866	1.3
423.32471	1.4
435.66083	1.3
437.30350	1.4
441.33771	1.3
467.31744	14.1
485.32709	100.0
486.33099	6.4
487.33441	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
79.31801	1.1
129.00941	1.6
137.62766	1.3
168.76390	1.3
196.19447	1.2
246.21469	1.3
279.23276	100.0
331.08188	1.2
581.45483	45.2
582.45801	1.9
593.25916	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
57.03457	0.3
59.01381	3.1
61.98832	100.0
71.01379	1.2
73.02934	0.2
85.02966	1.0
87.00858	0.2
88.98804	1.3
89.02450	1.0
93.03441	0.8
96.95989	1.1
101.02441	0.8
109.02924	0.4
113.02464	0.4
121.02914	0.3
160.77275	0.2
177.01889	0.9
177.10992	0.2
189.01889	0.5
191.05586	2.5
192.05966	0.9
216.00743	0.3
217.01427	0.9
229.01382	0.3
313.30350	0.2
419.11386	0.3
508.43994	0.2
521.33258	0.4
522.33557	3.6
564.21826	0.5
582.22180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3101
Annotation	Cinnamacrin C
Peak:m/z	Relative Intensity
57.03463	10.6
59.01378	22.9
61.97254	2.0
61.98828	34.3
77.56068	2.3
79.46700	2.5
83.04998	20.7
86.14783	2.1
96.95969	3.6
99.04506	3.5
116.57378	2.4
116.92811	4.3
125.02403	3.4
163.90302	2.6
163.92877	2.7
184.37317	2.7
191.05583	3.8
214.73206	2.9
253.72908	3.0
255.41594	3.3
270.30420	2.3
311.23663	4.7
332.58011	3.7
341.24768	20.0
377.28098	4.4
407.29361	4.6
451.28610	39.8
458.13196	2.7
469.29263	5.8
481.29947	22.3
481.36243	2.9
499.30637	77.1
500.30630	3.6
581.30963	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	581.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64777	0.7
59.01371	0.9
61.98823	23.9
83.05003	8.0
96.95992	1.2
175.34167	0.7
185.88298	0.9
217.74086	1.0
322.48441	0.9
339.26944	0.8
357.28009	1.7
401.27173	0.9
405.32037	1.8
412.93591	1.0
413.30829	1.1
423.32553	4.4
437.30676	1.1
441.33575	1.5
455.31668	1.3
467.31592	20.1
469.32455	1.1
485.32715	100.0
486.33328	5.9
487.33426	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	581.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53841	1.2
59.01381	34.7
60.08621	1.4
61.98839	8.4
83.05025	13.2
85.05724	1.4
87.32274	1.5
96.14462	1.5
136.05219	1.7
141.70801	1.6
191.05482	1.5
271.27151	1.7
292.02573	1.8
311.23782	1.9
323.23871	2.3
341.24799	6.6
377.28558	6.3
389.28455	5.8
407.29446	3.7
455.31732	2.7
469.29614	7.9
481.29547	25.7
499.30670	50.5
581.31012	100.0
582.32104	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
61.98823	9.4
70.93587	1.3
71.01406	1.5
83.05009	10.3
85.02954	2.0
89.19865	1.5
104.96479	1.4
106.90759	1.6
121.06561	1.6
173.70630	1.5
191.05583	2.4
240.39908	1.4
259.13959	1.5
311.23642	1.7
323.69525	1.5
341.24796	15.1
361.25534	2.8
377.28632	2.3
407.29550	3.5
410.77698	1.9
451.28540	27.6
455.31686	1.8
481.29465	24.6
499.30685	62.9
581.30994	100.0
582.31561	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	581.2244
Annotation	Briaexcavatin P
Peak:m/z	Relative Intensity
54.91365	0.6
55.01882	3.7
57.03448	2.5
58.00592	0.7
59.01379	39.6
59.01666	1.5
60.78922	0.5
62.40461	0.6
67.01916	0.8
71.01384	20.8
72.99312	1.5
73.02950	5.9
83.01412	3.6
84.79014	0.7
85.02953	12.2
87.00874	3.9
89.02444	9.0
89.13471	0.7
93.03468	3.9
95.01396	1.4
95.69088	0.7
96.95999	5.8
99.00879	3.5
101.02441	16.2
108.02196	1.0
109.02947	10.8
113.02431	7.0
116.92839	5.8
119.03487	1.4
121.02966	1.6
123.04509	1.4
125.02360	0.7
133.01413	1.0
135.04539	2.6
137.02414	0.7
144.52438	0.8
159.04494	4.7
160.05266	3.7
161.06104	1.1
163.03886	1.2
166.56210	0.8
172.05296	0.7
173.04634	1.3
173.06055	5.7
175.07605	1.6
178.06377	0.9
185.11783	1.1
189.05551	4.7
191.05614	24.2
191.07132	1.4
192.05960	3.4
193.06131	0.9
197.45117	0.9
202.99812	1.1
203.07150	1.3
213.09306	1.3
225.05595	0.7
240.04375	0.9
241.05064	9.7
255.06619	5.0
257.08160	1.0
267.06732	0.7
278.61908	0.8
281.07986	2.6
295.09830	3.9
299.09286	4.3
312.10092	1.0
313.10788	6.7
327.05164	1.0
327.12357	1.3
328.05710	0.9
329.06094	0.9
329.10306	4.5
329.14020	8.8
341.14108	1.4
343.11847	1.7
344.12656	27.2
345.13211	1.2
359.15009	54.2
406.47369	0.6
413.60229	0.7
419.08633	1.2
521.20258	100.0
522.20435	2.8
581.22327	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07782	0.4
51.53243	0.5
52.66554	0.4
56.44242	0.4
59.01374	100.0
71.01366	0.7
91.96340	0.6
92.10176	0.6
99.92558	0.5
104.19227	0.5
116.92838	9.8
121.02926	2.1
129.37668	0.5
147.04565	0.6
159.04501	0.9
163.81174	0.5
175.07628	0.5
181.93698	0.6
190.06345	0.6
191.05592	1.8
203.99721	0.5
222.39058	0.5
255.10272	0.9
269.08194	14.0
281.08115	2.2
283.09796	4.9
299.09195	10.1
311.09235	12.3
314.08112	0.8
314.11621	20.5
326.11606	11.4
329.13940	53.5
330.14249	1.1
341.13940	27.5
359.15024	0.7
422.31857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34295	0.7
55.01890	0.7
58.00589	2.5
59.01376	100.0
61.70648	0.6
66.23802	0.8
71.00977	1.5
71.01373	47.5
72.99303	4.2
73.02930	1.0
77.72028	0.6
78.05646	0.6
83.01399	0.9
85.02942	9.7
87.00864	1.1
89.02427	67.4
95.01391	3.9
101.02427	20.0
109.61295	0.6
113.02433	17.1
115.00414	1.0
116.92818	1.2
119.03481	27.0
119.04932	0.7
125.02430	0.7
131.03482	3.3
133.01382	3.3
133.02893	1.2
143.03490	1.6
145.02960	2.4
149.04590	1.7
161.04556	6.2
179.05589	21.8
191.05626	3.2
199.50647	0.7
222.06851	0.8
224.04730	2.9
225.09154	0.7
238.06311	2.8
241.08719	1.6
252.04228	1.2
253.08583	1.0
255.10223	11.6
266.05859	2.9
267.10245	1.3
267.19846	0.6
269.11832	4.0
270.12570	2.8
280.07361	0.8
283.09747	40.6
294.08942	1.3
295.09830	3.5
296.10397	3.0
297.03937	0.9
297.11203	1.1
298.04752	0.9
298.12119	4.6
299.05771	1.5
309.11328	0.9
310.12088	2.6
311.09259	96.8
312.09662	2.7
325.10797	8.9
326.11606	54.5
327.05099	4.4
327.11856	1.1
341.13934	56.1
357.06390	1.0
383.07501	1.1
417.08365	4.0
447.10571	0.9
581.13208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19644	0.6
54.49456	0.7
55.01875	0.7
57.03440	6.5
59.01376	47.3
59.13433	0.7
63.46984	0.7
69.03455	1.7
71.01371	26.9
72.99300	2.1
73.02926	0.8
75.00858	24.4
75.90046	0.7
83.01389	2.0
85.02934	17.2
87.00861	10.7
89.02432	19.6
92.10107	1.7
95.01363	0.8
96.96017	3.3
97.02927	2.1
99.00833	6.2
99.04521	1.2
101.02420	10.5
113.02437	4.5
114.35054	0.8
117.01883	1.4
119.03491	3.6
125.24527	1.0
129.01936	11.3
135.11775	5.2
137.81213	0.8
141.01932	1.7
159.02963	3.5
161.09703	3.6
177.04039	43.3
179.10774	21.8
191.05614	3.5
195.05093	9.1
223.09821	9.2
231.77306	0.9
265.10770	1.1
334.29587	1.1
383.13431	5.1
401.14597	5.6
521.25494	1.3
545.18732	1.2
563.19623	6.2
572.88281	1.1
581.20917	100.0
582.21271	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	581.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52843	1.3
53.62027	1.5
57.03441	2.1
57.56479	1.6
59.01386	9.5
61.09837	1.5
61.74780	1.2
69.03480	2.6
71.01385	10.0
75.00854	1.6
81.03436	15.5
83.01365	13.7
85.02927	13.2
87.00881	8.7
89.02438	3.1
92.10191	2.9
93.03430	24.2
95.01387	9.7
95.05027	9.0
96.95983	21.3
97.02932	12.5
98.95568	11.8
98.96469	1.8
99.04517	10.9
101.02434	3.4
107.05057	2.1
109.02953	9.6
111.00851	2.2
111.04505	13.4
113.02441	6.1
117.03420	3.4
119.05014	1.8
121.02920	8.6
121.06602	1.7
123.04508	29.8
125.02420	52.6
127.03981	2.9
129.01929	1.6
135.04512	26.7
137.02422	35.5
137.03410	2.3
137.06033	2.6
139.03999	7.2
147.04523	6.4
149.02412	6.7
150.03209	14.9
151.03975	7.4
153.05586	3.7
154.03368	1.9
161.02472	7.1
163.04010	7.5
165.01933	2.6
165.05544	11.2
167.03468	54.9
173.04543	3.3
175.03957	2.0
177.01836	3.0
177.05522	2.0
179.03494	19.8
179.10677	2.9
181.05238	2.4
191.03770	4.6
191.05600	100.0
192.05867	2.4
195.05098	7.1
195.58313	1.7
197.04561	16.8
209.04533	69.2
221.04549	3.1
239.05594	69.6
251.05647	3.2
256.99051	1.7
269.06659	26.1
276.16684	1.7
281.06674	7.1
295.18213	1.7
299.07709	10.2
311.07788	6.9
329.08768	10.2
351.58435	1.7
371.07693	18.6
401.08743	19.3
419.11771	6.7
431.09921	3.0
461.10995	9.4
491.11697	13.6
521.26050	1.8
563.13837	11.1
581.14313	38.9
581.23267	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	579.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60931	0.5
57.03465	0.5
58.00613	2.4
59.01382	100.0
60.12242	0.4
60.51556	0.6
69.02330	0.5
71.01379	12.1
72.99295	3.7
73.02940	6.5
85.02957	9.5
89.02430	13.3
101.02430	8.0
103.04002	15.4
119.03484	5.1
127.04021	0.7
130.66646	0.6
131.17058	0.5
145.05058	2.3
159.51434	0.5
161.82973	0.5
163.06104	20.2
203.43492	0.6
281.24896	0.7
292.09573	0.5
441.72867	0.6
488.05994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80416	0.4
58.30229	0.4
59.01376	15.7
61.44077	0.3
61.98821	0.8
63.23777	0.4
66.58075	0.4
67.52229	0.4
71.23827	0.4
73.46853	0.4
78.95888	17.0
92.63498	0.4
122.98516	0.5
133.88445	0.5
152.99582	2.7
168.04323	2.7
206.36560	0.5
210.35190	0.5
224.06952	7.2
242.08006	2.1
281.24847	100.0
282.25110	2.2
506.32492	52.7
507.33279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.3
61.98829	10.6
75.23153	0.6
78.95907	6.8
92.10132	2.0
108.52198	0.7
117.84196	0.7
125.39761	0.9
152.99579	1.3
168.04326	1.4
191.05495	0.7
227.08395	0.7
242.07944	1.4
255.81700	0.7
281.24835	100.0
397.48782	0.7
506.25546	1.3
506.32495	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.5
65.57638	1.0
71.05016	1.1
72.99303	1.3
83.30443	1.4
114.36353	1.2
186.65459	1.2
230.40019	1.3
249.46266	1.1
393.31561	1.9
423.32657	2.1
425.30502	1.4
467.31665	14.1
485.32751	100.0
486.33569	3.8
487.33557	1.4
579.25378	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	579.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31893	0.6
54.35914	0.7
57.03447	1.6
58.01507	0.6
59.01375	100.0
61.98832	6.2
71.01366	0.9
71.05031	0.9
78.95889	0.9
85.02928	0.7
89.02471	1.0
93.03429	1.5
102.86565	0.8
104.98229	0.7
143.72925	0.8
191.05577	6.1
206.12428	0.8
222.73642	0.9
267.64746	0.8
423.29089	1.4
439.32199	7.0
457.33209	5.8
471.31046	5.7
475.34238	11.2
485.32587	4.1
501.31808	3.0
519.33344	10.1
543.27679	1.1
579.35596	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	579.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
57.03450	6.9
57.08803	0.8
58.00593	1.5
59.01376	100.0
69.03448	2.1
71.01368	79.2
72.99312	3.9
73.02937	21.2
75.00863	4.4
83.01373	13.2
85.02937	40.1
87.00876	5.0
89.02428	32.5
92.33129	0.9
93.03458	2.0
95.01370	8.5
96.95976	6.4
97.02936	1.4
99.00884	6.8
101.02419	49.7
113.02434	28.6
115.91699	0.9
119.03487	10.2
121.02902	1.6
125.02423	3.8
129.01967	1.4
131.03419	1.4
137.02368	3.4
143.03462	3.9
151.00377	2.3
159.02945	4.0
161.04486	12.1
166.02733	10.0
174.16298	0.9
177.01808	1.0
179.05588	2.2
181.05058	11.7
191.05608	11.4
222.19431	1.0
288.95850	1.0
313.25922	1.1
325.54251	1.0
327.05014	1.2
331.17902	1.1
373.18311	1.2
387.10806	1.7
387.20172	2.0
417.08231	1.0
417.10413	1.2
417.15677	12.9
417.24744	13.9
493.22858	14.8
519.24664	1.6
535.24066	22.8
545.04779	1.4
579.30212	85.6
580.30573	2.0
595.26947	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	579.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.5
55.17077	0.8
57.03458	6.3
58.00598	1.6
59.01377	100.0
61.98833	3.8
69.03463	2.1
71.01376	84.1
72.99310	1.8
73.02941	33.9
73.03315	1.6
75.00876	2.0
81.03465	1.5
82.95456	1.1
83.01385	18.2
85.02948	49.5
87.00871	8.1
88.98788	1.4
89.02441	17.7
93.03437	1.7
95.01373	9.1
96.96007	1.4
97.02960	5.5
99.00859	14.7
101.02431	55.9
102.71616	1.0
109.02946	1.3
111.00900	2.2
113.02442	37.6
113.03185	1.9
119.03481	6.0
121.02905	1.0
125.02419	7.6
127.03943	1.4
131.03549	1.7
131.57330	0.9
143.03464	8.6
159.02980	5.9
161.04517	18.9
187.03969	1.4
191.05614	17.1
213.18611	1.0
315.18234	10.6
357.19141	1.5
357.26398	4.6
459.22339	21.4
477.16510	2.3
477.23358	61.6
519.24481	62.6
519.31830	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	579.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01666	0.8
55.01881	8.0
57.03459	5.6
59.01379	56.9
71.01374	50.5
72.99297	1.6
73.02927	15.4
75.00884	1.2
83.01365	12.7
84.02149	1.2
85.02942	27.8
87.00899	1.1
89.02437	9.6
95.01381	7.0
96.96049	1.3
99.00875	7.9
101.02420	40.0
109.02942	4.5
112.74639	1.0
113.02428	23.3
119.03476	2.4
121.02927	1.3
123.00867	4.4
123.04420	1.1
125.02415	6.3
133.02965	1.2
135.04524	1.7
137.02393	16.7
143.03506	2.6
149.02406	1.7
151.00342	25.1
151.04021	2.3
152.04796	6.7
159.02928	1.9
161.04567	12.3
163.04091	1.2
164.04698	1.2
166.02692	97.3
167.03429	5.0
175.03966	1.5
177.01881	5.6
179.03474	1.5
181.05038	96.4
191.03587	1.4
191.05605	6.9
205.05000	1.3
283.29532	1.1
327.05121	4.9
331.17416	2.5
357.05905	1.3
359.11386	2.3
373.18488	1.7
387.10864	22.8
402.13196	10.3
417.09067	3.2
417.15530	100.0
418.15649	2.0
493.22885	31.5
498.76312	1.3
535.23938	47.2
599.48718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01666	0.8
55.01881	8.0
57.03459	5.6
59.01379	56.9
71.01374	50.5
72.99297	1.6
73.02927	15.4
75.00884	1.2
83.01365	12.7
84.02149	1.2
85.02942	27.8
87.00899	1.1
89.02437	9.6
95.01381	7.0
96.96049	1.3
99.00875	7.9
101.02420	40.0
109.02942	4.5
112.74639	1.0
113.02428	23.3
119.03476	2.4
121.02927	1.3
123.00867	4.4
123.04420	1.1
125.02415	6.3
133.02965	1.2
135.04524	1.7
137.02393	16.7
143.03506	2.6
149.02406	1.7
151.00342	25.1
151.04021	2.3
152.04796	6.7
159.02928	1.9
161.04567	12.3
163.04091	1.2
164.04698	1.2
166.02692	97.3
167.03429	5.0
175.03966	1.5
177.01881	5.6
179.03474	1.5
181.05038	96.4
191.03587	1.4
191.05605	6.9
205.05000	1.3
283.29532	1.1
327.05121	4.9
331.17416	2.5
357.05905	1.3
359.11386	2.3
373.18488	1.7
387.10864	22.8
402.13196	10.3
417.09067	3.2
417.15530	100.0
418.15649	2.0
493.22885	31.5
498.76312	1.3
535.23938	47.2
599.48718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59027	1.4
55.01883	2.4
57.03448	1.9
58.00571	1.3
59.01375	37.2
59.96748	1.4
61.15095	1.5
70.65468	1.4
71.01372	22.4
71.40162	1.3
72.01724	1.5
73.02938	8.4
83.01369	7.1
85.02943	14.0
87.00874	8.5
89.02426	30.5
90.02757	2.7
93.03440	10.6
95.01376	2.6
96.95988	27.2
97.02924	1.7
98.95575	1.7
99.00872	2.6
101.02398	11.8
102.02744	2.4
103.00426	1.6
109.02921	2.6
110.79669	1.3
111.00861	24.8
111.04549	2.0
112.98786	3.7
113.02391	2.9
121.02907	3.4
122.03701	8.2
123.00864	8.2
123.04535	2.1
125.02419	2.5
131.03462	7.6
133.02913	2.2
135.04535	12.6
137.02444	3.4
149.02441	25.1
149.04500	16.0
150.03214	74.9
151.03979	5.8
161.02408	8.7
163.03944	6.3
164.04771	12.4
165.05548	68.2
173.00848	2.9
173.04506	3.7
175.03926	3.0
176.04710	2.8
179.03488	2.3
179.07127	3.4
180.04204	6.2
191.03511	11.3
191.05594	100.0
191.07140	4.5
192.05862	9.1
195.06606	26.8
201.01706	1.6
203.03413	3.3
205.05130	3.9
206.05757	2.8
221.08136	3.7
221.64555	1.7
247.02397	3.4
247.06281	3.8
249.08040	87.0
255.02922	2.9
262.04642	6.7
264.06396	3.1
265.07086	3.0
269.08191	1.6
271.02435	9.3
277.07156	6.6
285.03946	2.7
297.03967	2.4
298.04727	2.7
299.05481	3.1
300.02731	12.1
301.03503	2.8
311.05646	1.9
312.06290	1.8
327.05075	8.3
337.09320	28.4
357.06271	6.2
369.06012	10.9
369.13477	11.9
399.07123	6.1
413.12140	5.7
417.08368	2.6
459.09161	2.1
461.14603	24.3
473.14813	2.0
519.23755	2.9
533.13629	1.7
579.12866	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	579.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76427	0.4
59.01374	0.7
66.98682	0.4
71.01385	1.8
75.30175	0.5
79.01898	0.6
81.66990	0.5
85.02949	1.9
92.10153	0.9
93.03445	1.1
95.01393	0.5
96.96001	6.1
100.92644	0.4
107.01371	0.5
109.02930	5.9
111.00890	0.6
111.04517	0.7
119.05025	1.0
119.96122	0.5
123.04494	0.6
133.02933	22.3
133.06604	0.5
134.03722	2.7
135.04489	3.4
137.02414	1.1
147.04533	1.0
148.76723	0.5
149.02412	2.2
149.06039	0.7
151.03992	2.0
159.04478	0.5
161.02425	2.1
161.06007	0.6
163.00426	0.6
163.03952	2.7
163.76022	0.5
165.14204	0.5
173.02463	0.5
175.03964	6.3
175.93629	0.5
177.01906	5.1
177.05560	3.0
179.03520	1.0
187.04027	0.8
189.01881	1.2
189.05518	1.1
190.02808	0.6
191.03510	3.0
191.05588	9.7
197.05942	0.5
199.04013	0.8
201.01909	2.6
203.03477	4.2
205.01447	1.1
205.05042	1.0
206.32991	0.5
211.04056	1.0
213.05592	2.9
215.03555	0.8
217.05034	1.2
219.03018	0.6
221.04366	0.6
225.05533	0.7
227.03522	0.8
231.02896	0.7
233.04454	0.8
235.02460	0.9
237.05478	0.8
238.06380	0.7
239.07117	1.1
240.04276	0.5
241.05092	1.9
245.04547	1.1
251.07123	0.7
252.04164	0.6
253.04945	2.3
255.02914	0.9
255.06587	0.7
265.04922	0.8
266.05740	0.5
267.06577	1.0
269.04431	2.2
283.06058	3.4
284.03268	1.1
295.05991	1.1
297.04041	6.3
298.04800	17.1
299.05624	8.0
309.04007	2.7
310.04736	0.7
311.05597	16.3
312.06381	18.2
313.04239	0.6
313.07138	16.4
323.05600	4.6
325.06891	3.3
327.05069	10.4
330.03903	0.5
339.05096	23.0
341.06699	11.7
344.05411	2.6
351.05045	2.2
353.06583	6.1
357.05948	3.6
367.04608	0.7
369.06128	66.0
370.06696	1.0
371.07578	2.5
381.06073	10.1
383.07629	1.1
395.07712	0.6
397.05649	0.7
399.07199	51.1
411.07104	8.0
413.08762	1.8
423.07202	2.0
425.08731	0.9
429.08334	10.3
441.08310	3.3
453.08142	2.6
459.09338	7.0
471.09241	2.1
489.10342	23.9
501.10187	0.7
519.11584	4.8
561.12354	2.2
579.13550	100.0
580.13910	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	579.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64328	0.9
51.30230	0.8
52.49263	0.9
71.01376	1.5
92.10813	1.2
105.83102	0.9
107.01367	0.9
109.02950	6.2
121.02968	1.1
125.02440	1.1
128.86745	1.0
133.02942	22.6
134.03807	1.3
135.04503	2.2
137.02496	1.0
139.62126	0.9
147.04501	1.3
149.02400	1.7
151.03964	1.9
159.04460	1.2
161.02501	1.4
161.06053	1.3
163.03935	1.9
175.04044	6.4
177.01990	4.1
177.05542	1.8
179.03482	1.5
187.34880	1.0
189.01921	1.2
189.05470	1.0
191.03462	4.5
191.05521	1.1
201.01810	1.2
203.03467	3.7
205.01419	1.3
213.05582	1.1
217.05154	1.1
225.05473	1.2
227.03583	1.9
233.04587	1.3
233.82115	1.0
235.02448	1.2
237.05644	1.4
245.04478	1.9
253.05090	1.1
255.06610	1.1
265.05014	1.0
267.06564	4.7
281.04382	1.4
283.06116	3.5
293.04416	1.2
297.04080	7.4
298.04813	20.0
299.05597	9.2
309.03946	3.8
310.04837	1.7
311.05579	20.1
312.06400	17.9
313.07190	16.0
323.05551	1.8
325.07227	4.5
327.05124	10.9
339.05109	28.4
341.06531	10.9
344.05325	2.3
351.05017	1.6
353.06741	6.8
357.06345	5.1
369.06122	66.6
381.06061	11.7
383.07712	1.5
395.07919	1.3
399.07166	56.5
411.07059	10.2
423.06793	1.9
429.08273	12.4
441.08499	8.1
453.08026	1.3
459.09348	39.4
471.09424	1.3
489.10419	18.3
519.11060	1.1
554.23114	1.0
579.13574	100.0
580.14258	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.1
61.98837	0.8
78.95898	6.3
89.44297	0.2
136.81712	0.2
150.79317	0.2
152.99551	1.4
154.62654	0.2
168.04311	1.5
178.27135	0.2
184.43916	0.2
191.05586	0.5
224.06932	1.3
242.08037	2.4
257.68964	0.2
261.22107	0.5
277.21536	0.2
279.23285	100.0
280.23560	1.7
379.22440	0.2
504.30975	28.4
505.31311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85866	0.4
57.03440	0.7
59.01376	9.6
60.39827	0.4
66.12368	0.5
71.01373	8.5
73.02941	3.1
83.01375	1.2
85.02953	4.3
87.00855	0.9
89.02437	6.0
93.03473	0.7
95.01388	0.8
97.02912	0.6
99.00830	0.5
101.02413	4.7
102.22309	0.6
104.63895	0.5
109.02948	3.0
113.02441	3.0
119.03479	0.6
119.04991	0.6
121.02955	1.2
125.02392	2.4
133.02916	13.3
135.04482	1.0
137.02426	0.8
138.06836	3.9
147.04572	0.6
149.02400	1.2
151.00307	0.9
153.09177	9.7
154.72020	0.6
161.02348	2.1
161.04515	0.9
163.00368	2.2
163.03961	4.3
165.01953	1.3
175.03984	3.6
175.98840	0.5
177.01898	1.2
179.28123	0.6
191.03516	2.1
191.05569	6.3
193.01370	2.3
199.04053	1.2
201.01958	2.1
203.03580	1.0
215.03566	0.7
215.27031	0.6
217.04988	0.7
225.14949	9.2
225.55664	0.5
227.03555	0.8
229.01434	0.7
241.05008	0.8
253.05022	1.0
255.02998	2.2
269.04486	3.1
271.06061	0.6
283.02719	0.6
284.03256	11.7
285.04059	12.4
297.04022	24.9
298.01413	0.6
298.04791	21.9
299.05566	23.7
309.03952	1.1
311.05667	5.1
313.03671	1.1
324.02563	1.1
325.03622	1.2
327.05072	100.0
328.05463	1.1
339.05154	6.1
356.05380	0.9
357.06137	36.6
363.05231	0.7
369.06049	1.0
381.06000	2.3
387.20230	4.5
399.07166	2.8
417.08243	59.6
466.23657	0.6
489.10617	5.1
493.22726	0.6
519.11676	1.1
519.24396	16.6
579.13525	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06386	0.6
59.01382	100.0
60.01682	0.6
61.98831	4.0
62.54313	0.5
63.45280	0.6
65.79609	0.6
71.05007	0.7
72.99294	6.4
73.91961	0.6
75.00867	1.1
85.02950	2.6
88.98779	0.8
91.00368	1.0
92.10881	2.3
93.03483	0.7
97.15063	0.6
103.25470	0.7
120.96514	0.7
141.65271	0.7
151.31427	0.6
169.85316	0.6
181.81477	0.6
189.01907	1.1
191.05592	4.8
217.01456	1.1
271.75992	0.6
352.29404	0.7
377.28546	0.7
391.26282	1.0
395.29379	1.1
407.29514	5.5
425.30521	5.3
437.30673	1.2
455.31631	6.8
467.31561	1.1
469.29343	3.0
473.32666	11.2
485.32657	6.8
501.31720	0.9
517.31476	5.0
577.33698	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	577.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98274	0.5
57.30396	0.4
59.01375	100.0
60.01720	0.7
61.01816	0.5
61.98824	24.1
72.99284	0.9
75.00906	0.5
79.70737	0.5
85.02966	0.8
88.98788	0.8
93.03458	1.2
191.05548	3.9
217.01263	0.8
290.11902	0.7
327.05264	0.6
377.28674	0.8
391.26413	3.1
407.29617	4.6
425.30627	18.4
443.31699	12.5
469.29376	0.8
473.32590	0.9
487.30429	2.4
503.33615	1.0
504.33969	1.2
517.31439	4.3
566.31934	0.6
577.27600	1.3
577.34216	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	577.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58607	0.7
57.03461	0.7
59.01373	45.7
61.98824	8.9
66.76583	0.7
71.01379	3.1
74.78046	0.7
78.95902	0.7
85.02955	1.0
87.00893	0.9
88.98753	1.0
92.10853	1.9
93.03434	1.6
101.02410	1.2
101.06065	1.0
135.04486	1.2
163.55080	0.9
173.42757	0.8
175.82281	0.7
190.89449	0.8
191.05602	8.8
236.07391	0.8
377.28366	1.5
407.29587	9.6
423.28906	0.9
425.30658	3.6
451.28494	4.2
473.32654	1.2
499.30670	12.0
517.31671	100.0
518.32086	1.0
519.33289	10.0
577.29004	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	577.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01649	0.6
55.01875	6.0
56.73207	0.7
57.03439	7.4
58.00600	1.0
59.01375	64.9
59.48680	0.6
61.98843	1.2
63.92777	0.6
66.73158	0.6
69.03448	0.9
71.01375	49.0
71.05022	1.3
72.99305	0.7
73.02934	11.9
73.03273	0.7
75.00887	0.9
83.01382	6.0
85.02949	25.4
86.00114	0.8
87.00864	9.8
89.02441	24.3
89.02966	1.1
93.03429	1.2
93.99966	0.7
95.01388	3.4
97.02956	0.8
97.06568	6.9
99.00867	6.0
101.01811	1.6
101.02438	24.2
101.06085	1.3
102.52316	0.6
111.08163	2.7
113.02440	19.0
117.03403	0.8
119.03496	4.9
121.10204	0.8
123.08137	0.9
125.09714	1.7
130.93274	0.8
131.03424	1.1
137.09706	0.9
138.78665	0.7
139.11258	0.7
141.12819	1.3
149.04604	3.2
151.00363	0.8
151.11325	1.4
153.12854	0.9
155.10866	0.9
159.02982	2.8
161.04504	5.3
165.12947	1.0
166.73550	0.8
173.02463	0.8
177.12871	1.3
179.05661	1.0
183.13846	3.0
191.05571	7.1
227.16516	1.3
249.18567	0.9
251.20087	1.2
263.20245	1.1
281.20993	1.0
285.04077	1.3
288.25110	0.9
295.22675	3.1
305.14240	0.8
307.22754	1.4
319.22632	3.2
321.26273	0.8
325.75949	0.7
355.21384	0.8
355.24869	45.7
517.30170	100.0
518.30646	1.7
531.28284	1.2
533.29309	1.3
577.28699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69202	0.4
55.01877	0.9
57.03443	1.8
58.00588	3.4
59.01375	100.0
60.23218	0.4
61.98809	0.5
63.63043	0.4
64.56870	0.4
67.01881	0.5
70.91321	0.4
71.01370	48.7
72.99287	3.7
73.02922	0.9
78.15156	0.4
83.01386	0.9
85.02930	11.4
85.03393	0.6
87.00874	2.3
89.02427	66.0
93.03437	1.1
95.01358	3.6
96.95965	0.7
101.02419	22.8
102.26428	0.5
107.01382	0.5
113.01639	0.6
113.02435	18.4
119.03475	24.2
125.02392	0.5
131.03479	2.2
135.04503	2.4
143.03490	2.6
145.04893	0.5
149.04517	2.5
151.00337	2.9
161.04520	6.6
164.01074	0.4
177.01851	0.7
179.05591	25.7
191.05629	4.9
204.22711	0.5
225.56285	0.5
230.67342	0.5
278.57550	0.5
337.23978	0.7
517.30304	0.9
533.29150	1.0
577.15399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
59.01374	58.6
63.46181	2.3
69.03452	3.3
71.01370	55.5
71.01691	3.3
73.02954	16.4
75.94865	2.4
85.02927	19.8
87.00881	2.8
89.02428	61.7
89.02890	3.5
91.00327	2.6
93.03446	14.1
94.49763	2.4
97.02962	2.7
99.00896	4.6
101.02453	24.9
112.72591	3.2
113.02472	6.7
125.02440	12.5
131.03497	14.4
133.02937	2.7
135.04491	4.7
138.06863	9.2
148.74240	2.6
149.04538	16.6
151.07675	5.9
152.08403	15.2
153.09171	33.3
173.04440	3.2
191.05611	51.4
205.12303	43.2
293.08743	3.2
385.18738	10.5
517.22852	100.0
594.81958	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14939	1.5
59.01374	7.0
63.96246	1.8
71.01371	13.7
72.99277	1.7
78.95899	2.2
78.98575	7.4
79.95718	13.9
79.97173	1.3
80.96502	99.8
80.96980	3.5
85.02933	8.8
87.00871	1.5
88.98839	2.4
92.10726	2.0
94.98064	24.5
96.96085	1.7
97.02870	1.6
101.02409	2.5
106.98067	3.4
111.74127	1.8
113.02393	1.6
122.97574	10.8
125.02475	2.3
134.97537	7.9
136.99194	2.1
144.57422	1.5
148.99147	10.8
152.98584	7.3
164.98602	18.1
191.05602	25.4
192.05978	1.7
206.99747	1.9
219.87129	1.8
225.00737	21.9
245.32904	1.7
277.21692	8.4
299.16284	5.8
366.88077	1.5
431.73175	1.8
485.33051	2.0
517.35242	9.8
577.26874	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	577.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40606	4.5
71.01376	9.9
72.99301	93.5
75.66092	5.0
79.95747	10.9
80.96500	100.0
80.96893	5.1
85.02984	6.5
87.00842	6.5
88.98789	25.0
91.00364	10.2
94.98078	22.9
105.23876	5.2
125.02486	6.1
164.98557	12.1
191.05573	13.2
225.00725	10.7
227.77969	6.1
467.31369	12.5
485.32730	81.2
577.26917	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39468	0.6
52.80243	0.7
54.81685	0.6
55.49888	0.6
57.03434	1.7
59.01376	7.4
60.51229	0.8
67.01879	1.3
71.01369	6.2
74.24561	0.7
75.00864	1.3
78.95872	1.3
79.01878	0.9
79.41658	0.6
81.69736	0.7
82.05518	0.7
82.81817	0.7
85.02945	7.5
87.00857	4.2
89.02441	3.7
93.03436	11.0
95.01400	1.2
96.95996	45.0
96.96973	3.1
99.04531	0.9
101.02409	1.0
109.02901	2.4
111.04529	1.9
113.02392	0.8
117.03444	11.3
119.05038	1.7
123.04517	1.5
125.02425	3.5
127.03970	0.9
131.05080	0.8
133.02936	1.2
135.04515	8.8
137.02419	1.7
147.04506	3.3
148.93823	0.8
149.02333	1.1
149.06046	1.7
150.31810	0.7
151.00363	0.8
151.04031	1.0
155.03482	0.8
159.04486	1.9
161.02399	8.0
163.03992	4.7
165.04016	5.9
173.04578	2.6
175.03966	3.2
177.01860	1.8
177.05569	3.3
179.03435	1.9
187.03876	0.9
189.01938	1.2
189.05487	0.9
191.03760	3.0
191.05600	41.4
192.05907	1.6
203.03517	3.0
205.04993	1.2
215.03430	1.0
225.05553	1.1
237.05431	1.1
238.06274	1.0
239.07152	1.2
243.06573	1.0
253.08566	1.0
267.06531	1.4
268.07343	1.7
269.04626	1.0
279.06573	1.4
281.04422	2.6
282.05359	3.2
283.06134	7.4
287.05627	1.9
294.05124	0.9
295.06085	12.8
296.06860	4.2
297.07681	40.9
307.06079	4.2
309.07669	5.9
311.05450	5.3
311.54605	0.8
323.05719	7.9
325.07196	14.8
328.06000	5.3
335.05576	1.4
337.07095	5.2
341.06638	0.9
341.26682	0.8
349.07172	1.1
353.06650	58.0
354.06952	1.0
355.08215	1.3
359.05859	0.8
365.06689	11.0
378.82935	0.9
383.07718	40.7
395.07483	5.8
413.08588	4.6
425.09015	1.1
429.17444	1.1
439.10266	3.1
457.11221	8.4
473.10992	5.9
487.12137	1.6
503.12189	1.6
506.48978	0.9
513.10327	1.2
577.15503	100.0
578.16101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69663	0.5
55.01857	0.9
57.03443	4.8
57.07947	0.5
57.43240	0.5
58.00577	1.0
59.01374	36.6
71.01371	17.5
72.99303	3.4
75.00858	64.7
83.01380	2.8
85.02945	10.1
86.68119	0.5
87.00832	5.3
89.02435	13.4
93.03451	3.4
95.01383	0.9
96.95993	1.4
99.00867	1.4
99.04495	1.4
101.02428	9.0
111.00879	1.5
113.02437	3.9
119.03482	4.4
125.02435	1.0
129.01936	6.5
135.04442	1.3
147.02991	17.0
150.25534	0.7
161.13345	6.0
165.04034	100.0
173.04524	0.8
179.05750	0.8
187.11292	0.9
191.05614	21.6
192.05995	0.9
205.12323	11.0
213.75768	0.6
226.33226	0.7
249.11333	4.7
300.02670	1.2
333.64548	0.8
385.17615	0.7
397.14951	3.9
429.17590	1.5
463.09146	0.7
577.21405	87.9
578.22101	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57114	1.3
53.76727	1.0
55.01885	1.9
57.03445	8.1
59.01124	1.4
59.01383	22.0
67.01883	1.9
71.01377	12.9
74.37314	1.3
75.00854	14.5
83.01369	2.1
85.02921	7.2
87.00826	6.7
87.54423	1.3
89.02425	7.2
90.03552	1.2
93.03452	10.1
96.96018	2.6
97.02927	2.5
99.04483	1.9
101.02418	3.0
107.01371	1.6
109.02946	14.0
113.02390	1.5
117.03400	8.8
121.02974	1.8
123.04442	8.4
125.01571	2.2
125.02422	50.1
129.01854	3.1
130.98364	1.4
133.02896	2.9
135.04543	9.4
137.02420	14.9
145.02876	1.4
148.85069	1.2
149.02374	5.5
151.03900	6.1
159.04440	2.7
161.02405	17.3
161.06004	2.2
161.13281	1.4
163.03903	1.9
164.01060	1.9
165.04048	27.0
173.04465	1.9
173.05881	1.4
175.03885	5.5
177.01874	3.2
177.05453	2.5
179.03374	2.0
179.85501	1.3
187.03917	5.7
191.03673	3.1
191.05606	39.4
192.05937	2.1
203.03325	2.9
203.07008	1.9
205.04996	3.0
205.12227	8.6
212.04475	1.4
213.05550	1.5
215.03545	2.0
245.04265	1.9
245.07979	6.9
249.11290	1.9
255.02989	2.3
267.06586	1.4
282.05197	1.8
283.05875	5.9
289.07089	21.7
293.04080	1.6
295.06021	10.0
296.06635	1.9
297.07690	35.6
299.05359	2.0
307.06021	2.6
309.07593	2.8
311.05402	5.5
323.05334	6.7
325.07120	10.3
328.05655	3.2
337.07047	2.6
339.08679	2.0
353.06653	52.7
365.06494	6.1
383.07666	31.6
395.07477	2.0
407.07773	13.1
413.08447	1.9
425.08536	6.9
429.17288	1.7
451.10065	2.2
457.11404	12.1
465.25357	1.6
487.12082	6.9
577.15143	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	577.1351
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03449	15.8
59.78612	0.9
67.01882	1.1
73.11879	0.9
77.30479	1.1
81.03436	2.1
83.01378	5.0
93.03461	1.3
95.05032	2.3
96.06908	0.9
97.02953	5.7
99.41690	1.0
105.03494	1.1
107.05022	1.4
109.02942	27.8
121.02956	4.3
122.03746	1.3
123.04493	22.0
125.02422	100.0
133.02910	4.5
135.04520	4.1
137.02412	23.7
138.72191	1.0
139.03983	4.2
149.02423	6.3
150.03166	1.4
151.03981	18.5
159.04478	6.0
160.05289	1.4
161.02419	28.1
161.06081	6.4
162.03209	2.6
163.03951	7.0
164.01108	6.2
165.01884	4.7
167.03519	1.4
175.03937	10.6
175.07414	1.2
177.01906	10.1
177.05347	1.5
178.02472	1.3
179.03491	4.7
187.03935	8.9
188.04832	4.2
189.88760	1.2
191.05559	4.7
202.06433	1.4
203.07118	13.9
205.01421	2.0
205.05016	9.1
205.06642	1.2
211.04030	1.4
212.04805	1.4
227.03560	1.5
227.07178	1.2
228.04309	1.6
229.04948	2.6
238.31668	1.1
243.02962	1.3
245.04463	2.0
245.08217	15.3
253.04942	1.3
255.03003	11.4
256.03741	7.9
256.38092	1.1
269.04880	1.3
273.04019	2.4
281.04419	2.1
283.02179	1.5
285.03931	1.5
287.05487	6.2
289.07184	48.5
290.07639	1.3
299.05579	4.8
339.08572	4.8
342.56534	1.2
381.09686	1.5
389.38849	1.3
407.07678	51.2
425.08719	20.1
451.10257	10.7
549.71753	1.2
577.13202	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1347
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03450	16.0
59.01381	9.1
66.73930	0.9
69.03471	2.2
71.01382	6.8
75.00880	2.5
76.71559	1.0
81.03455	2.4
82.03757	0.9
83.01402	5.2
85.02966	5.6
87.00896	1.2
89.02454	2.0
93.03461	6.2
95.05051	1.3
96.95988	1.1
97.02939	5.4
99.40376	0.9
101.02435	1.7
105.11502	0.9
109.02947	23.3
119.03463	1.7
121.02949	2.1
122.03735	1.6
123.04505	16.6
125.02420	100.0
127.03946	1.0
133.02917	5.3
135.04504	7.0
137.02415	29.3
138.59578	0.9
139.04004	4.6
143.05048	1.5
145.03018	1.0
147.02994	1.2
147.04391	1.2
149.02397	6.2
151.03986	13.4
154.07683	1.1
159.04491	3.9
160.05214	1.0
161.02426	29.8
161.06078	6.0
161.13287	1.8
163.03972	6.1
164.01129	6.1
165.01904	4.7
165.03998	5.8
167.03490	1.4
173.04544	2.3
173.05949	1.2
175.03984	9.9
175.07584	1.7
177.01947	7.4
179.03461	3.9
185.06102	1.1
187.03992	8.5
188.04692	1.6
191.05612	30.5
192.05942	1.3
202.06105	1.2
203.07153	12.2
205.01454	1.9
205.04993	9.2
205.12247	1.5
211.03992	1.4
217.04927	1.2
221.08087	1.9
229.04945	2.4
231.02931	1.2
242.02151	1.1
243.02899	2.3
245.04453	2.3
245.08134	13.0
249.11256	1.2
255.03001	5.6
256.03729	2.3
257.04437	1.2
271.06082	1.2
273.04074	4.0
281.04480	2.0
283.05875	1.3
285.04004	1.2
287.05582	5.0
289.07138	38.5
295.06067	1.5
297.07651	5.6
299.05573	4.2
300.02908	2.4
325.06979	1.4
353.06638	11.3
381.09952	1.4
383.07419	7.8
394.52118	1.1
397.42514	1.2
407.07712	30.6
417.74332	1.3
425.08765	16.2
451.10495	8.7
457.11310	1.3
463.08871	2.2
577.14423	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	575.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33776	75.0
67.10550	77.7
68.50406	72.7
89.58186	82.8
97.19502	81.1
159.76024	88.1
173.77147	85.4
181.24471	84.7
207.38541	96.6
223.49588	100.0
422.07166	93.3
565.69489	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38509	0.9
56.64318	0.8
64.33472	1.0
85.09066	0.9
86.30359	1.0
92.10169	2.4
94.41332	1.1
97.77652	1.0
109.75970	1.2
281.87497	1.3
453.33676	8.6
498.08151	1.4
575.37433	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62903	0.1
50.74565	0.1
51.21799	0.1
54.17020	0.2
56.59236	0.1
61.98824	100.0
62.06216	0.2
78.29402	0.2
84.21357	0.2
88.00427	0.2
88.47126	0.2
92.04881	0.2
92.10201	0.3
99.34370	0.2
143.48289	0.2
153.37527	0.2
184.11510	0.2
191.05537	0.3
201.39297	0.2
208.78413	0.2
252.62772	0.2
277.21671	0.4
278.21954	0.3
280.22672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50275	0.1
57.39484	0.1
58.41646	0.1
59.01380	0.2
61.98832	100.0
63.00248	0.1
88.55260	0.2
116.88368	0.1
133.81224	0.1
135.82147	0.1
140.58902	0.1
187.34979	0.1
277.21680	0.2
278.22000	0.5
593.64252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06608	0.2
54.29786	0.2
54.35594	0.2
55.32772	0.3
55.67240	0.3
59.01376	19.8
71.01369	0.3
78.95889	6.4
92.10880	1.1
92.64125	0.3
134.96785	0.3
152.99567	1.7
168.04317	1.8
216.15834	0.3
224.06998	1.0
233.22792	0.5
242.08034	2.9
259.20691	0.5
275.20233	0.4
277.21698	100.0
278.22067	1.7
345.89346	0.3
349.86874	0.3
502.29401	36.4
503.33737	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71707	0.2
55.77800	0.2
59.01376	27.1
60.12108	0.2
60.49371	0.2
61.98832	0.4
71.01390	0.4
78.95891	30.4
80.96512	0.5
92.10085	0.2
96.96970	0.4
122.98496	0.3
152.98401	0.4
152.99576	5.2
168.04294	5.0
205.19455	0.2
224.06926	11.8
233.22719	1.2
242.07985	1.9
259.20605	1.0
262.89114	0.2
275.20340	0.3
277.21710	100.0
278.21994	1.9
299.26822	0.3
502.29413	68.6
503.29593	2.3
577.26520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.0
59.01374	95.6
60.99311	1.6
61.98824	2.1
66.84097	1.2
67.01941	1.2
71.01388	5.3
71.05005	1.2
73.02947	6.1
74.00585	1.0
87.00852	1.6
88.98805	5.8
89.02431	1.3
93.03452	1.6
96.96004	2.3
101.02425	1.5
109.06582	1.6
116.92825	1.2
121.06612	1.8
135.08096	1.7
143.08604	1.4
161.04562	1.3
161.94762	1.2
171.57666	1.5
175.11337	1.7
183.11810	4.8
185.11847	4.6
191.05638	2.6
207.51765	1.3
211.69255	1.3
353.23135	2.7
357.21915	1.5
359.23795	7.8
361.25470	1.3
373.25504	2.4
375.23111	1.3
375.26990	12.1
377.24799	9.9
379.26184	1.7
387.26993	5.9
389.24973	9.2
393.27988	4.9
403.26208	6.0
405.28033	58.5
407.25912	36.6
419.26010	4.9
421.27499	39.6
423.29065	48.2
425.26929	2.3
435.29016	16.9
437.26907	5.8
441.30072	11.8
453.30209	7.3
455.27838	2.1
467.27942	12.1
471.31180	9.4
485.29178	22.3
515.30127	100.0
516.30255	2.3
575.24353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92999	2.6
57.56843	2.6
59.01377	100.0
61.98833	13.1
71.01369	22.3
71.05010	3.1
83.01347	3.1
85.02950	12.4
87.00868	3.0
89.02437	15.2
101.02437	19.4
104.22831	2.8
113.02460	3.9
131.27065	2.8
161.04642	3.1
191.05592	4.2
287.08609	2.9
383.24484	6.7
439.28693	3.4
455.31592	4.9
471.31366	5.0
497.28970	14.1
501.32181	4.6
502.32452	4.0
515.29681	52.8
517.31665	17.1
539.30084	13.7
575.26910	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	575.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08150	0.3
57.03434	0.6
59.01375	89.9
61.98820	1.0
66.16306	0.4
66.54694	0.4
71.01376	0.9
71.05010	9.9
73.02939	0.4
74.43655	0.4
74.63061	0.4
76.15763	0.3
85.02936	0.6
87.00896	0.4
93.03464	0.6
96.70443	0.4
96.95978	0.5
97.06568	0.8
101.06056	8.2
113.44794	0.4
135.04567	0.7
135.42810	0.4
138.39833	0.5
151.11288	0.5
185.11862	1.7
189.12825	9.2
191.05598	2.7
192.60602	0.4
333.22299	0.5
339.23395	0.9
347.17123	1.6
351.23331	2.3
353.21268	0.7
369.24402	8.2
391.23312	0.5
393.28015	0.7
399.25204	3.7
405.28165	2.9
407.26083	1.6
409.23779	0.8
423.29068	9.9
425.26862	1.0
427.24622	0.6
437.27176	0.6
441.30304	5.6
453.30008	5.5
467.28137	3.5
471.31018	2.0
485.29092	4.1
497.28998	7.7
503.34317	0.6
515.30115	100.0
516.30560	2.4
575.27496	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	575.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78873	0.6
58.30661	0.6
59.01381	100.0
61.98839	3.4
67.79498	0.7
71.01391	2.7
71.05010	7.8
73.02942	1.0
85.02952	1.1
92.10114	1.8
93.03459	0.9
99.04520	0.9
101.06032	5.9
117.56628	0.6
142.49367	0.6
185.11826	2.8
189.12836	8.5
191.05588	4.5
198.64589	0.6
215.58762	0.6
221.80733	0.9
225.09361	0.8
255.17735	0.7
339.23199	1.2
347.17023	1.6
351.23169	1.1
369.24472	8.6
391.22757	1.3
399.25385	2.6
405.28186	1.4
407.25919	1.2
409.24036	0.8
423.29117	9.4
441.29807	6.6
452.00534	0.8
453.30304	6.7
467.28137	3.7
471.30984	1.6
485.29236	4.4
497.29144	11.6
515.30127	88.6
516.30542	2.4
575.28400	1.0
582.37085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14012	0.4
55.31720	0.3
55.56020	0.3
57.03447	0.5
59.01376	100.0
60.99304	0.6
61.98825	3.2
64.68732	0.4
71.01373	1.8
71.05016	0.4
73.02938	0.6
85.02925	0.8
87.00851	0.5
87.04501	0.5
88.98790	3.1
89.02446	0.9
96.95982	0.8
101.02380	0.9
109.02952	0.5
113.02417	0.8
121.06563	0.5
135.04530	0.7
135.37152	0.4
183.13754	0.5
191.05583	2.2
232.99559	0.4
353.23306	5.1
359.23624	0.5
375.26886	0.6
377.24106	0.6
389.25034	0.5
405.28159	6.3
407.26086	3.3
421.27591	5.3
423.29129	4.0
425.27222	0.5
435.28979	1.9
437.26834	0.6
441.29941	0.7
445.77139	0.5
453.29865	0.6
467.27884	2.4
485.29022	15.7
503.29791	0.5
515.30121	10.4
575.31738	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	573.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49794	0.2
51.34797	0.2
59.01375	16.3
60.77875	0.2
61.98830	0.9
62.85256	0.2
66.35640	0.2
71.01368	3.3
73.02938	0.9
73.97258	0.2
74.10934	0.2
78.95872	0.4
82.95424	0.9
84.00903	0.5
84.95101	1.9
85.02944	1.1
87.00853	0.4
87.23926	0.2
89.02422	2.9
90.25713	0.2
99.92536	0.3
101.02428	3.1
113.02433	1.4
115.92046	0.5
119.03486	1.0
119.93405	0.3
161.04535	1.3
179.05627	0.4
191.05629	0.9
235.08157	1.1
237.26675	0.3
253.09283	10.5
259.20697	0.4
277.21704	100.0
278.22061	2.2
437.92404	0.3
573.28015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
58.00597	1.6
58.88930	0.8
59.01376	100.0
61.98824	5.3
67.99815	0.8
71.01369	70.7
71.58958	0.9
72.99293	2.2
73.02936	14.0
75.00859	1.1
75.10527	0.9
81.03505	0.9
82.19926	1.1
83.01382	3.8
85.02940	16.9
87.00878	5.1
88.98832	0.9
89.02429	86.9
93.03454	1.7
95.01356	2.2
99.00874	17.2
101.02423	37.1
113.02438	17.7
117.85670	0.9
119.03487	11.1
125.02410	1.9
131.03461	17.3
135.04498	1.2
143.03493	2.0
149.04536	40.4
161.04573	3.7
179.05550	5.0
191.05617	20.8
228.88579	1.1
251.07448	2.1
285.03885	1.1
293.09085	1.3
381.22696	1.1
513.27063	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	572.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
61.98832	100.0
70.68645	0.2
74.17106	0.2
75.89056	0.2
83.08456	0.2
85.02988	0.2
118.95393	0.2
133.55745	0.2
191.05576	0.8
197.42461	0.2
272.68698	0.2
278.76471	0.2
283.05099	0.2
330.15350	0.2
337.72208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3207
Annotation	Canescensterone
Peak:m/z	Relative Intensity
54.81467	1.4
57.26373	0.9
61.15304	1.2
61.98822	100.0
64.17781	1.3
65.41069	0.9
66.11454	0.9
70.48167	1.1
84.00893	7.8
103.95113	1.2
104.95269	1.3
107.69724	1.2
142.76624	1.4
149.42647	1.2
272.94778	1.1
407.80731	1.3
423.32422	1.5
469.32825	1.4
482.40717	1.4
487.34012	5.3
572.31982	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3201
Annotation	Canescensterone
Peak:m/z	Relative Intensity
61.03710	1.6
61.98824	100.0
61.99144	3.4
63.96116	1.5
64.33049	1.6
67.51248	1.5
69.42079	1.4
75.14307	1.7
78.67871	1.6
82.95411	3.5
84.00904	7.8
99.29504	1.8
144.84189	1.6
179.50569	1.6
191.05528	1.9
294.95773	1.7
324.69366	1.7
464.26086	1.9
572.31995	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10192	0.5
60.58567	0.4
61.98789	0.5
73.02464	0.5
75.13998	0.4
78.19976	0.5
82.10684	0.5
85.25179	0.5
90.94160	0.5
99.92557	11.9
111.20818	0.5
112.42714	0.5
116.92834	100.0
163.91290	0.6
257.32043	0.7
268.45126	0.6
277.74289	0.6
409.82892	0.7
460.34521	0.7
525.74353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2911
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
54.81716	0.7
55.01872	3.4
58.07468	0.7
59.01373	53.1
61.98827	3.7
67.01907	0.9
69.03445	0.9
71.01369	49.8
72.60102	0.8
72.99313	1.6
73.02930	17.2
75.00870	1.2
82.76272	0.9
82.95416	1.0
83.01350	5.8
85.02934	22.1
86.98801	0.7
87.00858	1.6
88.98798	1.0
89.02425	45.2
89.02956	1.7
92.10132	2.0
93.03435	3.6
95.01385	1.9
97.02943	1.5
98.96795	0.8
99.00853	16.2
101.02423	38.7
105.75163	0.8
110.79028	0.8
113.02430	16.9
115.03945	1.0
119.03490	3.4
125.02416	1.9
131.03482	8.4
135.04507	1.4
143.03494	1.7
149.04561	13.9
159.02977	1.5
161.04549	9.5
173.04538	0.9
179.05518	1.4
191.05583	23.3
251.07715	0.9
381.22638	8.8
513.27020	100.0
514.27625	1.9
573.14313	1.1
573.26563	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	572.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42235	0.2
52.63805	0.2
57.50510	0.2
59.01375	1.6
61.98821	100.0
63.99247	0.4
71.01363	0.4
81.67956	0.3
85.02932	0.4
87.04506	3.3
88.04832	0.5
89.02461	0.3
93.03421	0.4
101.02414	0.4
134.96658	0.3
138.82422	0.3
150.48773	0.3
165.88101	0.3
191.05598	2.3
200.40166	0.3
234.63623	0.3
255.66415	0.3
293.94571	0.3
512.26807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98824	100.0
63.99252	0.7
71.01383	0.6
74.95107	0.3
78.95904	0.3
82.15871	0.2
85.02943	0.4
87.04498	2.9
88.04845	0.5
92.10901	0.6
93.03447	0.4
130.74219	0.3
135.04437	0.4
145.32870	0.3
191.05582	2.4
192.05919	0.4
322.94223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70837	0.9
55.01870	1.0
57.03451	1.2
58.00594	0.9
59.01374	100.0
61.98832	6.0
62.06915	0.8
67.60068	0.7
71.01365	16.4
72.22764	0.9
73.02932	5.5
81.71054	0.9
83.01360	1.9
83.41814	0.8
85.02931	8.6
87.99931	0.9
89.02430	6.1
92.10149	2.0
96.96026	1.1
99.00843	1.2
101.02414	8.9
101.06097	1.9
104.20558	1.1
113.02399	7.2
119.03471	1.2
120.93598	1.0
121.02891	1.2
134.73009	0.9
137.02330	1.0
161.04486	3.8
163.67688	0.9
182.38896	1.0
191.05568	6.4
193.57013	1.0
209.11949	1.2
289.37265	1.1
289.41043	1.1
467.30063	18.2
485.31296	18.1
503.33676	5.2
571.32599	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	571.289
Annotation	Ganoderic acid H
Peak:m/z	Relative Intensity
56.62649	1.3
59.01373	29.6
61.98829	8.7
71.01384	7.4
73.02957	1.7
73.25507	1.3
82.52008	1.4
85.02945	7.1
87.00865	1.5
88.98787	3.4
89.02449	3.6
93.03463	6.4
96.96001	6.4
98.64181	1.7
101.02435	2.2
109.02948	8.4
113.02414	2.3
117.90012	1.6
121.02963	7.3
135.04495	3.4
141.09291	1.5
150.03233	16.2
151.03947	1.7
153.01945	8.1
165.05560	7.9
179.03491	1.7
179.05522	2.0
183.06612	3.1
191.05603	26.7
191.07191	2.1
201.37971	1.4
373.25772	3.3
508.97784	1.6
527.15167	2.3
535.31244	67.8
571.14941	3.4
571.28943	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	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
54.22731	0.9
54.96880	1.1
61.98837	1.6
70.82990	0.9
78.95889	71.7
82.95408	2.4
92.10136	2.9
93.03494	1.3
96.96946	20.3
134.84019	0.9
136.78647	1.1
139.67691	1.2
141.61092	1.0
147.90166	1.2
152.99565	70.3
191.05545	2.0
223.00133	2.2
241.01173	34.3
255.23282	98.3
315.04745	8.0
391.22571	4.1
571.28870	100.0
572.29321	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	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82016	2.9
56.61939	1.6
57.37838	1.6
59.01372	33.2
61.98838	10.1
65.75774	2.0
71.01377	4.2
78.95885	1.9
85.02945	8.7
85.93140	1.8
87.00871	2.8
88.98825	2.8
89.02423	3.0
92.10827	3.9
93.03439	8.1
96.96018	2.8
101.02428	2.7
109.02962	12.3
113.02464	3.0
120.99644	2.0
121.02961	7.9
123.04535	3.7
133.02986	2.4
135.04559	7.9
140.47748	2.4
149.91547	1.9
150.03181	22.5
153.01961	10.5
165.05551	12.8
165.92136	2.0
177.01993	2.0
183.06647	4.5
191.05594	27.5
192.06030	1.7
213.80734	1.9
262.07516	2.2
271.72684	2.4
379.06830	2.5
535.31262	68.4
571.15381	4.6
571.29065	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	571.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81273	0.4
59.01373	2.9
71.01390	0.6
72.70529	0.4
76.55754	0.4
85.02943	0.9
85.27808	0.4
87.00865	0.6
88.98790	1.7
89.02429	0.4
93.03448	4.0
96.96005	2.2
108.02149	0.6
109.02943	1.9
113.02444	0.5
118.04518	0.4
121.02934	3.8
122.03722	13.4
123.04524	0.6
131.40726	0.4
131.94888	0.4
133.02919	2.2
135.04543	3.0
136.01630	1.6
137.02435	2.3
146.86427	0.5
147.04539	0.6
149.02423	19.4
150.03207	100.0
151.03697	0.9
160.01614	2.1
161.02441	0.7
164.04771	3.4
165.05545	75.8
166.05946	0.5
167.07092	1.7
173.04463	0.5
180.04272	6.5
181.05034	0.4
191.05606	8.6
192.05966	0.5
195.06610	35.3
212.04755	2.9
228.04205	0.8
238.06517	0.5
240.04214	0.4
241.04948	0.6
244.03772	0.5
256.03793	4.3
267.06647	0.9
269.08359	0.5
271.06537	0.7
271.09750	3.3
274.48627	0.5
283.09747	0.8
285.07547	0.8
287.09204	0.7
297.07651	2.5
299.09387	0.8
310.08691	0.6
311.09381	5.3
312.10132	0.9
315.08777	4.7
326.11557	1.6
327.08771	5.9
327.12308	0.8
330.11130	10.2
342.11108	0.9
345.13406	32.2
357.13449	11.6
361.96518	0.4
375.14450	3.9
449.13898	0.5
493.18503	0.8
523.20105	0.6
533.29730	2.7
535.30725	1.0
571.21906	3.4
571.28607	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	571.2733
Annotation	Artoindonesianin U
Peak:m/z	Relative Intensity
50.15348	0.4
52.06937	0.4
52.15041	0.4
61.98834	1.0
75.49938	0.4
78.95906	2.1
82.95419	7.3
84.95120	0.9
93.03421	0.6
96.96944	2.1
99.92571	46.0
100.93362	10.7
115.92063	86.7
116.92079	0.9
116.92840	4.8
191.05571	2.4
283.41931	0.6
287.22339	2.7
292.09317	2.0
471.34634	1.2
473.35596	0.9
509.63028	0.5
553.26349	2.5
556.24603	0.6
571.27338	100.0
571.42261	4.0
572.27448	4.0
585.25275	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	571.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19754	0.6
59.01389	1.7
59.15768	0.5
65.64244	0.6
71.01376	0.9
77.38079	0.6
85.02978	0.6
89.02448	1.4
93.03435	4.1
94.98650	0.8
95.01381	0.9
114.14471	0.6
121.02955	4.9
122.03734	13.9
123.04499	1.2
124.01610	1.0
125.02419	0.8
133.02905	1.5
134.03745	1.3
135.04509	3.7
136.01691	0.9
137.02420	1.2
137.06013	0.7
149.02426	26.7
150.03203	100.0
150.53342	0.7
151.03517	0.9
160.01585	0.7
161.02359	1.0
164.04749	5.6
165.05548	66.7
166.08826	0.7
167.07166	1.0
168.73152	0.8
178.19615	0.7
179.05644	0.7
180.04222	4.0
180.07872	3.9
191.05573	3.5
194.00768	0.7
195.06616	23.6
208.07448	0.8
212.04808	5.0
226.06310	0.7
228.04231	0.9
231.10483	0.8
254.11855	0.7
256.03815	6.1
259.09714	1.0
267.06555	1.5
269.08124	2.4
271.09738	4.4
283.09735	2.9
285.07510	0.9
287.09286	1.0
297.07632	2.8
299.09421	0.9
299.12769	1.2
311.09274	6.8
312.10095	1.4
314.08008	1.4
315.08728	5.4
326.11417	1.2
327.08685	9.6
327.12387	2.4
329.10251	1.2
329.13919	1.6
330.11111	16.1
342.10892	2.8
344.12769	1.0
345.13425	40.5
357.13397	12.0
364.94061	0.7
375.14432	2.9
493.18594	10.6
523.19684	30.1
523.27161	1.5
535.31171	1.7
559.16327	0.7
568.00391	0.8
571.21729	4.2
571.28436	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.2
57.03430	0.2
59.01375	3.2
60.01712	0.2
61.98824	100.0
63.99252	0.3
66.58974	0.2
71.01372	2.0
73.02939	0.8
74.73396	0.2
83.01354	0.2
85.02931	1.9
86.03271	0.3
87.00860	0.4
87.04499	15.6
88.04836	2.6
88.98773	0.2
89.02412	0.3
92.10213	0.2
93.03429	0.7
96.96009	0.2
101.02406	1.6
106.60748	0.2
109.02934	0.3
113.02411	0.4
116.92812	0.2
125.02407	0.2
135.04498	0.3
191.05591	7.2
192.05927	0.3
193.22664	0.2
197.11801	0.4
199.03963	0.3
227.03505	0.4
228.04468	0.3
260.95590	0.2
283.13391	1.0
311.12936	0.2
344.47644	0.2
377.21686	0.3
378.22183	1.4
421.20792	0.2
422.21356	0.4
480.18256	0.2
509.26138	0.3
510.26392	5.5
510.36072	0.7
570.22961	1.0
570.73407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
59.15891	0.4
60.20342	0.5
61.98830	2.6
65.74844	0.5
66.00853	0.5
69.03456	0.6
71.01370	2.1
73.02944	2.2
85.02940	3.7
87.00850	1.1
88.98820	1.3
93.03435	0.7
95.01380	0.8
96.96004	1.0
99.00865	0.8
99.07558	0.5
99.92578	7.0
108.02161	43.5
109.02948	9.7
113.67891	0.6
116.92841	100.0
117.01897	2.1
117.92889	0.6
122.48794	0.6
135.04492	4.5
136.04837	2.2
141.09198	10.7
151.00230	0.5
151.04005	0.7
152.01138	73.9
153.01830	3.1
163.03947	2.8
177.01804	0.6
179.03474	0.6
191.05595	12.5
331.14618	0.7
353.08521	1.0
429.10342	5.4
447.11148	0.8
449.73108	0.6
571.20190	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	570.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64320	0.8
61.98828	100.0
68.01512	0.7
78.79628	0.7
84.00917	9.3
84.28918	0.7
95.17596	0.9
139.40483	0.9
184.94182	0.8
191.05643	1.5
464.78632	0.8
467.31650	5.7
485.32626	9.3
570.30469	84.3
571.30359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.304
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
56.17002	1.1
61.98823	100.0
62.72337	1.0
64.18889	0.8
71.01385	1.0
81.79229	1.0
83.04997	2.4
84.00911	7.1
84.79112	0.9
87.98537	1.0
95.82685	1.0
108.02148	1.1
109.97826	0.9
134.12727	0.9
147.59831	1.0
191.05565	6.7
204.01646	1.0
243.06567	6.4
397.23846	1.2
467.31451	2.2
485.32614	2.0
570.30450	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3045
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
61.98822	100.0
71.04984	1.2
78.95892	1.3
80.96516	4.3
84.00904	6.3
85.02965	1.1
92.10170	1.8
93.03394	3.2
147.75291	1.0
153.15909	1.0
164.98576	1.2
191.05617	5.3
284.43906	0.9
389.39111	1.1
467.31772	8.5
485.32764	9.1
562.65210	1.0
570.30505	77.9
571.29797	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	569.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02143	0.5
51.19811	0.5
55.04917	0.6
59.01367	0.7
61.98843	1.0
65.08172	0.5
65.87861	0.4
78.91906	0.6
80.91667	9.1
122.04160	0.6
151.12256	0.7
191.05612	1.1
204.01796	0.7
208.77773	0.6
279.39368	0.6
363.39990	0.6
409.31058	1.1
439.32330	0.7
487.34277	100.0
488.34308	1.4
512.49548	0.8
569.34576	50.2
570.34955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32245	0.6
61.98824	8.6
80.91689	8.1
82.95383	0.7
97.54863	0.8
98.14974	0.7
119.05016	1.5
120.81709	0.8
121.02948	0.8
121.49866	0.7
145.02946	1.1
155.87160	0.9
180.05199	0.8
191.05573	3.0
438.59418	0.9
487.34238	37.5
488.34418	1.0
516.46259	0.8
533.30298	1.0
569.34601	100.0
570.35046	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	569.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46430	0.5
58.00583	6.6
59.18143	0.8
61.81364	0.6
61.98837	1.8
65.67433	0.6
80.91692	1.0
97.06598	0.8
139.24530	0.7
139.63719	0.8
191.05609	1.6
191.86664	0.8
375.30881	1.0
377.28488	4.8
380.55927	0.7
391.30087	1.4
393.31824	7.6
397.59943	0.7
403.30048	1.2
405.31815	1.6
407.33337	1.2
423.32681	26.0
425.26675	1.1
425.34152	4.1
437.30692	1.4
439.32190	3.4
441.33945	7.7
457.33109	2.9
467.31625	7.9
469.33179	8.4
475.34576	1.5
487.34299	61.0
488.34546	1.5
513.32397	1.5
569.34631	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	570.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28948	0.3
61.98824	100.0
71.31477	0.3
82.95437	0.4
92.10839	0.7
94.24513	0.3
191.05554	0.8
224.33133	0.3
348.27429	0.4
372.69308	0.3
488.34634	1.5
538.93091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03442	1.1
57.41143	0.1
59.01377	11.3
61.98825	4.5
69.03441	0.2
71.01369	10.5
72.99305	0.3
73.02939	3.1
75.00873	0.2
79.46490	0.1
83.01376	2.4
85.02471	0.3
85.02943	5.8
87.00861	0.7
87.04500	100.0
88.04865	0.2
88.98775	0.6
89.02426	2.8
93.03420	0.2
95.01395	0.6
95.35799	0.1
96.95992	0.8
97.02924	0.7
99.00876	1.5
101.02424	6.7
109.02968	0.2
111.00867	0.2
113.02436	3.4
116.92832	0.8
119.04955	0.2
125.02459	1.6
130.64624	0.2
131.03499	0.5
133.02954	0.2
134.03735	0.2
135.04515	0.3
140.19981	0.2
143.03474	0.3
149.04512	0.3
159.03026	0.6
161.04575	1.6
175.03966	0.2
177.01985	0.2
183.17549	0.2
191.05592	1.1
233.06639	0.2
250.60924	0.2
284.69043	0.1
289.16470	0.8
307.17563	0.7
331.63858	0.2
341.06393	0.2
377.21790	11.6
421.20810	3.7
430.85657	0.2
460.92645	0.2
469.91742	0.2
508.35666	0.6
509.26047	23.4
509.35049	0.8
510.26138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91594	2.9
55.11643	3.1
55.60770	2.8
59.01394	19.5
60.20350	3.1
61.98827	24.0
71.01376	3.5
82.95398	4.1
83.05064	3.7
85.02995	3.8
88.36514	3.0
89.44883	3.3
93.03433	5.0
101.02480	4.5
111.00638	3.6
124.99509	3.5
153.71873	4.3
154.45126	3.6
162.92439	3.3
191.05585	34.9
231.23230	3.5
235.20775	3.7
471.31003	4.6
483.31168	4.7
487.34583	7.6
501.31644	4.3
533.31024	14.9
569.28680	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	569.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72761	1.2
57.03441	3.4
58.00595	2.2
59.01376	80.9
59.01667	2.8
60.03966	1.4
62.13437	1.5
69.03452	6.2
71.01379	43.4
71.01749	2.4
72.41815	1.4
72.99325	1.9
73.02959	10.9
77.11758	1.7
83.01401	2.4
85.02943	20.7
87.00837	3.6
89.02439	41.8
92.10816	5.9
93.03482	8.7
95.01361	1.5
96.96022	7.9
97.02914	1.6
101.02428	28.8
105.47598	1.8
107.71928	1.4
109.02981	3.7
111.04551	2.1
111.08202	2.2
113.02457	21.2
116.92848	11.2
119.03475	11.2
123.04500	2.5
127.07597	4.0
132.81007	1.6
135.04509	10.5
137.02473	2.4
137.06053	3.3
139.11270	8.6
143.04581	1.9
145.02950	1.8
150.03244	4.0
161.02449	2.5
163.06128	7.4
163.11272	7.1
163.47255	1.5
165.01883	2.3
165.05573	2.6
173.04536	3.9
179.03233	3.5
179.05624	2.5
180.04076	1.6
181.07124	12.5
181.12326	51.4
183.10222	23.9
191.05602	50.3
191.07179	2.9
192.06055	1.6
197.11852	1.9
225.11324	100.0
247.06483	6.4
269.04791	6.8
270.67987	1.6
271.09869	2.3
295.39450	1.8
325.11401	31.3
343.12384	13.4
347.17001	6.9
389.18176	57.9
391.71246	1.7
405.17578	8.6
442.06204	1.7
449.08801	2.8
509.22400	11.9
519.09460	2.1
537.10577	3.6
569.24670	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48439	0.2
51.68511	0.1
55.01870	0.4
57.03442	0.5
59.01084	0.4
59.01376	9.4
61.98822	3.7
65.01670	0.2
68.39877	0.2
71.01374	5.7
73.02937	2.1
83.01375	1.0
85.02930	2.8
87.00861	0.3
87.04499	100.0
88.04831	0.3
89.02422	1.9
92.10854	0.4
99.00854	0.3
101.02430	3.2
108.15868	0.2
113.02414	1.5
113.57607	0.2
115.72304	0.2
119.03592	0.2
125.02419	0.9
131.03456	0.3
145.12292	0.7
149.04565	0.3
149.74846	0.2
161.04500	1.1
179.03435	0.2
191.05623	0.4
211.42450	0.2
275.07565	0.3
289.16525	0.9
291.90378	0.2
298.32800	0.2
307.17450	0.3
345.27902	0.2
377.21805	8.2
421.20752	4.2
426.60406	0.2
509.25986	19.1
510.26605	0.3
569.30353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34508	1.6
57.03447	3.5
58.00592	3.0
59.01377	99.6
61.66227	1.4
69.03451	3.4
71.01370	48.0
71.05003	2.4
72.99306	2.6
73.02944	11.2
73.47407	1.5
77.81327	1.5
78.18500	1.4
83.01379	2.2
85.02947	23.6
87.00880	6.7
89.02432	50.5
89.02956	2.2
93.03457	11.3
95.01361	2.5
95.05057	1.8
96.96011	13.4
101.02427	37.7
109.02938	3.8
111.04525	2.0
111.08137	1.6
113.00526	2.5
113.02448	20.0
116.92851	10.8
119.03489	14.8
121.02974	1.8
127.07627	3.3
134.99052	1.9
135.04526	11.2
139.11307	10.3
143.04581	2.5
148.61545	1.6
150.03252	3.4
151.03981	3.3
155.03568	1.8
161.04535	3.7
163.06125	8.0
163.11331	2.9
165.05557	8.9
173.04544	3.3
179.03363	3.0
179.05687	2.5
181.07195	11.4
181.12337	61.9
183.01151	2.1
183.10239	19.1
191.05626	46.8
197.11855	7.8
199.04204	1.9
205.07253	3.3
208.76581	1.8
211.06084	2.6
225.11314	100.0
226.11571	2.4
247.06416	25.3
269.04776	6.7
274.77826	1.8
325.11453	26.4
343.12527	15.3
347.17126	7.1
389.18192	56.4
405.17963	6.0
449.08847	2.8
509.22388	16.0
537.10822	3.4
569.24579	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99103	1.1
59.01373	6.5
61.98838	2.0
70.49831	1.2
71.01365	4.9
71.81257	1.3
73.02930	2.0
74.48441	1.2
81.91985	1.2
85.02939	5.1
87.00852	1.7
89.02448	1.5
93.03436	21.1
94.03786	5.7
96.96005	2.2
101.02446	2.0
102.94489	1.5
108.02162	23.4
109.02973	43.8
110.03309	1.5
116.92831	24.2
120.99596	1.6
123.00765	1.2
123.04490	2.8
125.02361	1.6
135.04498	5.2
137.02451	24.2
138.02797	6.8
139.02943	1.5
139.03966	1.8
146.24165	1.3
151.04030	1.5
152.01132	28.9
153.01447	14.1
154.01617	6.5
158.03683	2.5
159.04480	18.5
161.06056	1.6
163.04018	2.1
165.05559	3.1
171.04529	2.1
173.04593	2.8
173.06078	14.9
175.03996	5.7
179.03497	3.1
180.04282	2.4
187.07559	1.4
188.04807	1.4
189.05563	17.8
190.06325	2.6
191.05586	30.0
191.07147	6.5
192.06026	2.0
195.06555	5.4
203.07135	5.6
213.05524	2.6
218.48000	1.4
224.04805	1.6
240.04221	9.2
241.05023	35.8
255.06659	27.3
267.06577	5.1
269.08176	7.3
281.08264	2.3
283.09644	2.3
295.09851	2.1
297.07858	2.0
298.08405	5.9
299.09195	26.0
313.10791	34.9
313.14102	2.0
318.24316	1.3
328.09570	1.7
329.10172	13.2
337.09210	1.4
338.57120	1.4
343.11832	7.0
344.12634	71.8
353.08588	2.4
358.14182	70.6
359.14996	100.0
373.16534	88.0
449.11960	2.1
457.24301	2.1
523.34845	1.7
569.14124	35.3
569.23993	52.1
570.23169	1.5
594.88654	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
59.14770	0.1
61.98832	100.0
67.45536	0.1
69.47298	0.1
70.75548	0.1
71.01389	0.5
85.02941	0.2
87.04508	2.8
95.21804	0.1
99.00855	0.2
101.02455	0.2
211.24815	0.1
508.35236	0.9
508.65710	0.1
509.25586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22482	0.2
59.01385	1.7
61.98821	100.0
71.01362	1.0
72.61982	0.2
77.31263	0.2
83.01426	0.2
85.02921	0.3
85.38609	0.2
88.80333	0.2
89.02445	0.2
91.57713	0.2
95.43266	0.2
96.95976	0.3
101.02493	0.4
102.26167	0.2
109.02918	0.3
113.02480	0.3
116.92844	1.0
125.02416	0.4
135.04517	0.4
137.02429	0.4
161.02385	0.3
175.03970	0.3
177.01865	0.4
191.05606	0.6
229.61287	0.3
285.03906	0.4
389.66058	0.3
402.92233	0.3
432.66214	0.3
457.51526	0.3
508.35211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52589	0.1
54.00284	0.1
55.55191	0.2
57.19195	0.2
59.01377	2.6
59.29593	0.2
59.38745	0.2
61.98825	100.0
62.46305	0.2
71.01358	0.7
72.94811	0.2
73.02917	0.2
75.00908	0.2
85.02933	0.4
90.64639	0.2
92.10831	0.7
93.03437	0.8
113.02417	0.3
131.39867	0.2
135.04509	0.4
137.02402	1.3
151.00356	0.9
159.72182	0.2
163.93864	0.2
191.05638	0.5
260.58633	0.2
284.06076	0.2
285.04034	1.2
286.04245	0.7
287.05429	0.2
508.34845	1.0
572.17914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83618	1.4
55.06098	1.2
61.98823	100.0
63.99265	1.9
67.45222	1.4
75.15160	1.2
79.36533	1.4
83.04973	1.8
84.00887	1.8
116.40968	1.3
120.09302	1.7
122.61031	1.4
191.05583	2.8
329.08386	1.6
465.30365	2.4
505.34393	2.5
530.53479	1.6
535.34253	1.9
568.28790	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01378	2.5
61.98823	100.0
65.39812	0.2
71.01389	0.9
72.22395	0.2
73.02927	0.2
84.25426	0.2
85.02949	0.7
89.02352	0.2
101.02417	0.2
110.63188	0.2
113.02460	0.2
129.07791	0.2
148.90027	0.2
191.05548	0.3
507.34503	0.3
508.35562	3.0
555.27222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	2.2
62.95592	1.0
78.95905	5.2
85.02953	1.1
86.64156	1.0
93.03455	4.8
114.59921	0.9
129.00520	0.9
154.25636	1.0
191.05603	9.7
385.85944	1.0
471.34814	100.0
472.35110	5.9
473.35574	4.1
545.49310	1.4
557.37518	1.0
567.25775	1.6
567.75330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.2
57.03462	4.3
57.29196	0.7
59.01384	75.8
61.34261	0.6
61.98826	8.7
63.55999	0.6
71.01380	38.8
72.99296	1.5
73.02936	12.2
75.00867	1.2
83.01389	6.4
84.72645	0.7
85.02950	22.1
87.00877	3.2
88.98820	0.8
89.02430	9.3
93.03483	3.5
95.01372	4.4
97.02966	1.0
99.00864	7.4
99.92571	1.0
101.02424	25.7
108.02206	1.5
109.02941	5.1
111.00874	1.7
113.02430	17.4
113.03168	0.9
114.93401	1.0
115.92090	5.5
116.92828	16.0
117.92869	0.8
119.03484	1.7
123.04498	0.7
125.02421	1.0
135.04482	1.2
137.02419	1.5
152.01093	1.4
152.80429	0.7
153.01866	1.9
159.02940	1.5
161.04517	6.4
164.04768	8.4
172.76573	0.7
176.03049	0.7
177.28223	0.7
179.07103	7.1
191.05588	3.6
225.43141	0.7
228.34514	0.8
246.51526	0.8
276.56207	0.8
285.03876	1.2
299.25784	1.0
345.30042	3.5
439.11600	0.9
507.35352	100.0
508.35754	3.9
521.33423	11.3
537.19916	0.9
567.24847	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	567.3311
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
59.01376	3.0
61.98821	100.0
71.05013	2.9
74.79438	1.5
76.56306	1.2
78.91907	1.6
90.56100	1.5
92.10085	3.0
103.36533	1.4
124.49735	1.3
179.23074	1.8
240.84401	1.7
363.59140	1.5
425.30670	1.9
467.31635	19.3
473.32849	2.2
485.25763	1.5
485.32623	53.8
504.33926	6.2
567.33044	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21165	0.6
61.98831	2.9
65.26996	0.6
69.65881	0.6
78.95879	0.9
81.39512	0.6
93.03471	1.2
103.83502	0.6
119.22174	0.8
191.05577	4.7
197.83102	0.8
232.39714	0.8
471.34799	100.0
472.35043	5.2
473.35437	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	567.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	2.2
62.95592	1.0
78.95905	5.2
85.02953	1.1
86.64156	1.0
93.03455	4.8
114.59921	0.9
129.00520	0.9
154.25636	1.0
191.05603	9.7
385.85944	1.0
471.34814	100.0
472.35110	5.9
473.35574	4.1
545.49310	1.4
557.37518	1.0
567.25775	1.6
567.75330	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87336	1.4
61.98816	7.4
75.80407	1.3
80.91710	1.6
92.10867	6.6
92.92764	2.0
98.68969	1.4
133.01642	1.3
139.89674	1.5
151.51181	1.3
162.64914	1.6
198.19824	1.3
199.69344	1.3
225.67171	1.6
226.60875	1.7
473.32666	9.4
485.32721	35.7
522.57312	1.6
537.31879	1.7
567.33026	100.0
568.33441	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01696	3.6
54.81476	5.2
55.64280	3.6
56.63759	4.0
57.56472	3.5
61.98816	10.7
67.88212	4.4
71.01312	4.0
78.95890	8.3
94.98920	4.5
169.17674	4.5
191.05606	28.2
403.83002	5.0
455.31778	75.4
471.34775	30.5
485.32666	100.0
549.23395	4.8
567.32953	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60898	2.1
59.01373	62.7
60.33126	1.9
61.49232	1.9
61.98827	47.3
68.99576	3.9
71.01366	25.9
71.13950	2.4
73.02937	16.7
73.57908	2.4
85.02917	16.8
86.03284	2.3
87.27557	2.4
89.02460	11.7
92.10123	5.5
93.03455	3.3
96.95988	4.7
99.00851	4.8
101.02454	23.1
107.05008	3.4
109.02953	26.2
113.02437	11.3
115.92121	16.9
116.92834	17.7
117.92871	2.9
119.03453	3.3
121.58748	2.4
125.02443	3.4
135.04521	4.0
145.17606	2.5
150.03177	3.0
153.01918	27.0
161.04526	10.1
176.98044	2.6
182.02284	2.6
189.05264	3.4
191.05574	14.9
192.79616	2.5
369.13260	15.8
399.23480	2.9
400.24207	3.1
418.25711	2.8
521.33356	32.8
531.28125	65.8
567.25732	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	567.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	0.8
55.88684	0.7
56.17802	0.8
59.01392	3.9
61.98829	22.7
67.61373	1.1
76.03534	0.8
80.91680	2.1
80.97495	1.8
83.05016	15.0
90.16358	0.9
178.62613	1.0
205.16017	1.1
261.29834	1.0
339.26834	1.6
357.28006	5.6
405.31729	4.4
406.38995	1.0
413.30792	2.2
421.30893	2.1
423.32809	5.9
437.30338	1.1
441.34018	1.9
455.31290	1.6
467.31549	30.7
473.32352	1.3
485.32764	49.5
488.51285	1.0
567.33051	100.0
568.33380	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	567.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35417	0.6
55.69009	0.7
61.98832	1.9
62.51511	0.8
71.05016	5.0
72.22627	0.9
79.38992	0.8
80.91650	1.8
85.99802	0.8
107.03892	1.1
123.52477	0.9
141.35396	1.0
172.70178	0.9
254.61072	0.9
333.07065	1.0
377.28616	2.0
380.95285	0.9
382.36035	1.0
393.31598	4.8
403.30035	1.1
423.32776	6.1
425.30908	7.3
437.30569	4.5
441.33875	2.1
465.30066	1.3
467.31662	33.5
468.32019	1.1
485.32730	98.2
486.33420	1.8
528.81085	0.9
567.33063	100.0
568.33020	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	567.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97998	1.6
53.50344	1.2
54.81536	1.6
59.01384	25.3
61.98832	9.9
68.99567	2.0
71.01382	18.8
73.02947	9.6
83.01378	2.5
85.02959	10.1
89.02425	5.9
93.03455	2.5
99.00902	2.4
99.92575	1.9
101.02441	11.3
107.01410	2.0
108.02138	3.0
109.02939	10.2
112.98540	6.1
113.02438	9.9
115.92057	7.8
116.92828	15.4
117.92862	2.4
118.92645	2.8
123.04475	1.9
133.02930	7.1
137.02461	2.8
149.02322	2.0
151.00372	2.9
153.01915	3.8
153.80469	1.8
160.01662	1.9
161.04523	3.1
175.03992	3.8
191.05667	6.6
201.01987	1.6
214.49966	1.7
285.03998	71.4
285.07120	3.0
286.04205	2.4
507.34106	2.8
521.33337	7.5
531.28180	42.0
567.25775	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	567.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05535	0.3
55.01889	0.3
59.01373	3.2
69.03455	0.4
71.01370	3.5
73.02943	0.7
76.57131	0.3
83.01434	0.3
85.02935	2.5
87.00834	0.4
89.02444	0.4
93.03439	43.6
95.01354	0.4
96.96012	0.5
97.02974	0.3
99.00829	0.7
100.93341	0.3
101.02444	1.4
108.02163	61.6
109.02950	10.5
113.02417	1.2
115.92049	1.7
116.92872	0.5
123.00862	0.3
125.02404	0.4
130.44963	0.3
134.03731	0.6
135.04514	2.1
137.02428	57.2
146.08292	0.4
151.04034	0.7
152.01143	100.0
153.01932	6.7
161.04602	0.4
163.04044	4.2
177.02029	0.3
179.03450	0.6
191.05630	1.6
207.03104	0.5
217.96725	0.3
271.48688	0.3
277.12436	0.6
280.11258	0.3
315.07370	0.5
429.10446	4.8
447.11453	8.0
500.38287	0.4
521.33105	1.2
567.13568	68.3
568.13739	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	567.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
56.50851	0.4
57.03468	0.6
59.01376	8.2
61.62711	0.5
61.98841	4.6
69.03472	0.5
71.01379	6.3
72.99317	0.6
73.02934	0.9
76.41821	0.5
79.00349	0.5
83.01382	1.0
85.02951	5.3
87.00889	2.1
88.98818	2.6
89.02436	2.4
91.01904	0.7
92.10204	0.7
93.03444	87.7
94.03740	0.5
95.01378	0.8
96.95990	5.8
97.02933	0.6
98.61267	0.5
101.02444	2.9
102.98589	1.2
108.02168	48.1
109.02946	16.1
113.02432	2.4
113.34521	0.5
115.92080	1.2
116.92857	3.4
119.05032	0.6
133.02888	0.6
134.03708	0.8
135.00903	3.7
135.04501	2.7
137.02428	91.4
145.02899	0.5
146.03741	0.9
151.03978	0.9
152.01138	100.0
153.01953	7.5
159.04524	0.8
161.02505	0.6
161.04633	0.7
161.06004	1.0
163.03984	3.3
167.07190	0.9
173.04507	1.1
175.02449	0.6
177.02086	0.8
177.77539	0.5
179.03438	1.3
183.13976	0.5
191.05574	6.8
193.05045	0.6
269.08160	0.6
281.08066	0.9
285.04068	0.6
315.07028	1.2
329.12744	0.7
341.14047	0.7
345.22733	0.8
429.10361	58.3
430.10989	0.7
447.11307	2.7
476.17139	1.1
489.17746	2.6
491.19281	8.8
503.19083	6.1
567.13556	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.71114	0.2
71.05016	0.2
83.05001	0.2
457.33035	0.3
503.33755	8.6
566.31909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.51885	0.1
61.98825	100.0
92.10828	0.3
108.05551	0.2
122.49682	0.1
124.16743	0.2
139.61661	0.2
154.32191	0.2
236.73285	0.2
387.90149	0.2
415.55115	0.2
504.34241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23910	0.1
59.01382	0.7
61.98838	0.2
66.40637	0.1
71.01395	0.5
71.73216	0.1
72.18319	0.1
73.02917	0.1
75.00893	0.2
80.32578	0.1
85.02936	0.2
87.00922	0.1
90.50715	0.1
93.03439	0.2
96.96015	1.1
99.00856	0.1
99.92579	7.0
101.23112	0.1
107.01379	0.2
109.02930	0.2
114.93410	0.5
115.92059	0.9
116.92850	100.0
117.92858	1.0
120.99641	0.2
123.04543	0.1
134.03719	0.2
135.04500	1.3
151.00336	1.7
153.54642	0.1
177.04095	0.2
183.14015	0.4
185.15697	0.1
189.12805	0.1
191.05611	0.9
195.05063	0.2
196.66890	0.1
217.96828	0.1
219.94745	0.2
227.12860	0.2
264.66953	0.1
287.05643	0.6
295.06146	0.2
300.94226	0.1
405.09875	0.4
417.28256	0.1
449.10797	0.6
491.80566	0.1
521.33069	0.1
549.03705	0.2
567.22937	0.5
576.72577	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	566.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28967	0.8
59.01397	1.5
61.98824	100.0
62.38128	0.9
63.47826	0.9
73.85658	0.9
77.70928	0.9
107.45995	0.9
108.60345	1.0
137.45888	1.3
146.93587	1.0
191.05568	1.4
267.50894	1.1
301.61081	1.0
503.33707	8.3
526.97180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56577	0.6
59.01368	4.8
60.85283	0.6
61.98823	100.0
63.41471	0.5
67.22179	0.6
70.24774	0.6
74.72128	0.5
85.25715	0.5
141.64748	0.6
149.72449	0.6
215.91312	0.6
243.88925	0.6
431.79285	0.7
486.67493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44924	0.3
56.13405	0.3
59.01403	1.1
61.98830	100.0
63.26856	0.3
67.78448	0.4
70.71989	0.4
76.15877	0.4
83.25567	0.4
95.91584	0.3
123.71165	0.4
207.82596	0.4
221.45059	0.4
229.73933	0.4
349.76883	0.4
457.33102	0.7
485.32275	0.4
503.33823	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	566.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30805	0.2
57.03439	0.3
58.35946	0.2
59.01376	5.4
61.98824	100.0
71.01381	1.8
73.02930	0.4
78.23865	0.2
85.02947	1.0
89.02441	0.4
90.74957	0.2
96.96001	0.8
101.02411	1.3
109.02925	0.2
111.00872	0.2
113.02433	0.9
116.92822	0.9
124.83920	0.2
125.02393	0.3
135.04466	0.9
191.05623	1.7
217.01308	0.9
225.67978	0.3
273.51526	0.2
285.03964	0.3
313.03568	0.4
314.03809	0.9
327.30420	0.2
328.05649	1.1
329.06253	0.8
343.08429	0.5
344.08594	1.6
347.22766	0.2
506.34125	1.8
507.35214	3.5
565.16681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06235	0.2
54.65105	0.3
55.01890	1.4
59.01382	60.0
61.98829	100.0
64.48196	0.3
69.25616	0.4
71.01376	9.8
72.99303	0.3
73.02944	2.6
83.01381	1.4
84.44328	0.3
85.02943	3.4
87.00855	0.4
87.04509	0.7
89.02431	4.7
92.10118	0.9
95.01378	0.4
99.00884	0.8
101.02419	7.1
101.06071	1.4
113.02459	3.3
116.92825	2.5
117.92841	0.4
119.03474	1.5
127.06950	0.3
159.02910	0.4
161.04532	1.5
166.18311	0.4
205.96503	0.4
221.89513	0.3
255.19711	0.3
399.23846	14.5
400.24417	0.4
417.25009	10.6
459.25934	7.2
520.32117	0.5
558.85040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07468	0.3
52.23326	0.4
54.81635	0.4
55.01884	0.7
59.01375	59.6
60.01704	0.5
61.98823	100.0
71.01368	7.9
72.05486	0.4
73.02934	2.7
74.41583	0.4
83.01376	1.0
85.02931	4.6
87.00869	0.6
87.04502	0.4
89.02414	5.0
93.03438	1.1
95.01343	0.5
95.33523	0.5
96.95998	0.5
99.00863	0.8
101.02422	6.9
101.06088	0.7
113.02423	4.2
116.92811	0.9
119.03443	0.8
161.04532	2.4
171.10170	0.6
191.05573	3.7
192.06001	0.4
228.46031	0.5
255.19701	0.7
282.29526	0.5
285.03629	0.8
312.02798	2.9
313.03110	4.4
314.03885	0.7
327.05173	3.6
328.05554	6.3
329.05978	0.7
343.07913	3.5
344.08545	0.9
356.79779	0.4
370.07187	0.4
381.22836	2.3
385.03299	0.4
399.23853	18.6
417.25000	11.3
459.25986	5.0
506.13715	5.2
566.19476	0.6
573.25525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
61.98823	100.0
64.32957	0.2
64.49883	0.2
85.02975	0.2
100.97276	0.2
102.87081	0.2
156.04333	0.2
232.70671	0.2
235.79654	0.2
240.92326	0.2
506.33478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13427	0.1
59.01363	2.0
61.98822	100.0
71.01363	0.3
73.02902	0.2
76.56046	0.2
85.02969	0.3
101.02421	0.3
101.06316	0.2
133.22191	0.2
146.50658	0.2
412.04849	0.2
471.02927	0.2
492.94690	0.2
506.33804	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.8
57.03461	1.5
59.01378	95.8
61.98830	14.5
69.03478	1.1
71.01375	32.3
71.01740	1.6
73.02924	8.3
83.01378	9.1
85.02935	18.7
89.02438	11.7
92.10854	4.7
93.03459	4.3
95.01340	1.6
99.00861	5.6
101.02428	27.9
109.03002	1.2
111.00880	1.3
113.02441	14.6
119.03537	1.6
124.76247	0.9
126.90425	4.5
130.34381	0.9
133.85059	1.0
141.26736	1.0
149.41298	1.2
159.02975	1.7
161.04538	7.8
179.05623	1.3
189.01918	4.8
191.05605	6.2
217.01372	7.7
249.36656	1.1
279.23267	1.6
327.05042	4.2
343.28522	17.5
369.07861	1.3
438.60666	1.2
501.25061	1.2
505.33841	100.0
506.34109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47606	12.4
55.10209	14.0
59.01378	100.0
61.98860	14.1
88.47015	15.7
105.41811	14.1
111.69930	14.4
125.11720	14.6
163.06087	30.9
181.80174	17.1
413.45349	19.7
451.30920	15.6
547.79663	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	565.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
61.98846	1.6
78.95898	4.1
92.02531	1.0
92.10889	1.4
191.05586	1.4
219.90791	0.8
224.06857	1.1
279.23334	6.7
280.23627	10.5
453.33893	3.4
471.34793	100.0
472.35049	4.2
505.31046	10.4
569.86047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.2
55.34090	0.4
57.03457	4.1
59.01385	66.2
61.98835	4.5
62.35265	0.4
69.03477	0.7
71.01376	36.7
73.02940	11.4
82.31315	0.5
83.01381	7.1
84.02177	0.4
85.02943	19.6
86.00106	0.6
87.00879	2.2
88.98774	1.0
89.02441	8.2
92.10810	0.8
93.03439	1.1
95.01360	3.4
96.96004	3.7
99.00864	5.2
101.02431	23.8
109.02972	1.6
111.00871	3.3
111.08184	0.5
113.02441	15.4
114.62247	0.5
116.92889	0.9
117.92970	0.4
119.03485	3.0
123.52693	0.5
125.02419	0.7
129.01904	0.7
137.02341	0.4
141.01900	0.6
143.03490	0.5
159.02974	2.5
161.04521	7.0
162.03194	3.7
177.01949	0.9
177.05525	2.7
183.13846	0.5
189.01855	3.1
191.05626	4.3
195.33815	0.5
216.00560	0.5
217.01382	4.3
238.26770	0.5
279.23242	1.6
297.24118	0.6
312.02643	1.9
327.04996	2.9
341.06714	0.7
343.08249	0.8
343.28445	5.1
449.08612	0.8
461.31149	1.9
479.32419	0.6
505.33832	100.0
506.34155	2.6
519.32123	1.5
565.36188	4.0
593.39978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01381	3.4
59.01640	0.4
59.09789	0.4
67.01891	3.7
69.03450	1.1
71.01372	3.2
73.02923	0.5
81.03462	0.8
83.05040	0.6
85.02945	10.6
87.00864	6.7
89.02430	0.8
93.03438	23.2
96.95991	1.7
99.00864	0.7
99.04512	0.7
104.84342	0.4
109.02940	13.3
111.04530	5.1
127.04002	3.0
133.02922	0.9
135.04517	3.0
137.02423	22.7
143.37714	0.5
145.02921	3.4
155.03477	0.9
161.02437	1.8
173.04520	8.8
175.03990	0.6
191.05603	100.0
192.06001	0.6
219.06696	1.7
255.06592	11.6
329.10284	3.0
353.08728	3.7
355.08246	0.8
427.12497	8.2
547.14557	1.7
565.15656	28.6
566.15784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.8
57.03447	2.9
57.43745	0.4
59.01384	36.4
60.01716	0.7
61.01810	0.6
61.98834	100.0
66.48136	0.5
67.01875	0.5
69.03466	0.7
71.01382	19.6
72.99310	0.8
73.02938	6.8
74.04283	0.4
75.00871	0.6
76.55800	0.5
81.03455	7.9
83.01382	5.9
84.64371	0.5
85.02947	12.6
86.00125	0.7
86.03282	0.7
87.00896	0.9
89.02432	3.8
89.37769	0.5
93.03448	2.7
95.01387	2.5
95.04961	0.5
99.00856	3.6
101.01817	0.8
101.02429	16.0
101.03043	0.9
102.02783	0.9
108.02230	0.6
109.02972	1.0
111.00889	2.6
113.02444	8.3
114.02779	0.6
116.92847	2.1
119.03486	0.9
121.02938	0.5
123.04500	18.3
147.27609	0.6
149.02444	1.1
159.02965	1.1
161.04565	3.1
185.15512	0.6
189.01938	2.4
191.05609	2.1
217.01398	4.3
217.94621	0.5
229.08696	11.9
255.06624	3.4
273.07693	5.3
307.25803	0.5
307.29291	0.5
327.05194	0.7
343.28531	2.4
503.32559	2.3
504.32611	3.8
505.33493	67.8
506.34100	1.1
511.38199	0.7
565.16949	9.8
566.17383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74518	0.3
53.16225	0.3
55.01870	0.3
56.56097	0.3
59.01374	2.1
67.01904	0.7
68.96446	0.3
71.01385	1.6
73.02950	0.5
74.13254	0.3
81.03461	0.4
83.05033	0.7
85.02950	11.3
87.00854	4.2
93.03446	8.4
93.32726	0.3
96.95994	18.4
99.04475	0.6
101.39488	0.3
109.02938	8.9
111.04533	2.0
113.02367	0.4
127.04018	2.9
134.03726	0.5
135.04503	3.4
137.02428	1.6
155.03470	0.4
159.04494	0.7
161.02399	1.6
163.03996	0.4
171.02875	0.5
173.04549	3.1
175.04002	0.7
185.02426	1.8
187.03972	1.9
191.05600	100.0
192.05920	0.5
193.04997	0.3
206.85403	0.3
213.01891	1.3
219.06598	2.6
245.04568	5.1
255.06638	0.4
281.37534	0.3
295.05832	0.3
323.05206	0.5
355.08157	4.4
385.09067	0.6
467.15448	0.6
533.12939	2.6
547.14569	4.3
565.15540	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	565.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03453	1.2
59.01372	9.9
60.14856	0.3
61.98834	2.0
64.69807	0.3
69.03452	0.6
71.01367	12.3
71.09702	0.3
72.99300	0.5
73.02937	4.3
79.10138	0.3
83.01383	2.1
85.02935	8.1
87.00880	0.6
89.02419	4.4
91.05511	5.8
93.03442	0.6
95.01379	1.6
96.95987	3.8
97.02930	0.6
98.13140	0.3
99.00877	1.9
101.02424	10.3
104.18208	0.3
108.02161	57.2
108.82180	0.3
109.02935	14.2
113.02425	6.4
116.92848	0.5
119.04961	0.3
121.02927	0.6
125.02460	1.2
131.03526	0.5
134.03654	0.4
135.04497	4.8
145.03009	0.4
151.03957	1.6
152.01140	100.0
153.01970	4.1
159.02872	0.5
161.04573	4.2
163.04030	3.0
177.01880	0.5
179.03564	0.4
191.05589	2.2
207.02980	0.7
211.16951	0.4
243.02948	0.5
299.02026	0.3
300.02380	1.4
301.02795	0.5
302.03394	0.4
305.17456	0.3
315.04285	0.4
315.07431	1.3
316.05292	0.6
317.05505	0.6
343.21359	1.2
371.20615	0.7
372.21030	1.4
373.22223	8.6
429.10349	8.4
447.11459	31.6
504.25607	1.4
505.26389	12.5
518.58325	0.3
521.12030	0.5
533.12457	0.4
549.03687	0.4
565.15594	35.8
566.16040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0477
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
50.90315	0.2
54.72562	0.3
54.81573	0.2
59.01385	0.3
62.96412	0.5
70.38789	0.2
78.95895	100.0
96.96051	3.1
96.96947	39.7
111.01990	10.4
115.58505	0.3
120.96966	2.3
136.94008	0.5
138.97987	3.4
142.42227	0.3
150.98038	3.3
158.92525	17.9
174.98030	0.5
176.93610	1.2
192.99069	2.1
196.06200	0.3
208.72650	0.4
211.00139	4.1
241.01144	7.5
272.95746	5.6
280.02356	2.4
305.01755	0.7
320.97864	1.7
323.02826	39.0
384.98438	2.7
402.99463	1.2
431.53644	0.3
565.04736	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	565.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81601	0.5
57.03434	1.1
59.01375	6.5
60.99304	2.2
67.01884	4.9
69.03449	0.9
71.01360	3.9
72.99286	0.7
73.02950	1.1
75.00880	0.9
81.03445	2.1
82.95416	0.9
83.05003	0.8
85.02932	11.5
86.35079	0.5
87.00868	9.7
89.02425	1.1
93.03440	41.7
96.95992	7.5
98.95561	0.8
99.00863	0.9
99.04482	0.7
101.02412	1.2
107.71857	0.5
109.02924	3.1
111.04504	7.0
113.02438	0.7
121.02938	0.9
123.04443	0.8
127.04007	3.8
129.01913	1.3
133.02890	1.3
133.83369	0.5
134.03703	1.0
135.03015	5.0
135.04506	43.2
136.01625	2.3
137.02425	22.6
147.04486	0.7
149.02412	1.1
151.03995	0.7
155.03497	1.1
161.02403	7.5
171.02885	0.7
171.10179	0.8
173.04523	12.5
177.01910	2.2
179.03458	3.1
191.05600	100.0
193.05074	2.0
233.06668	4.3
261.14227	0.5
299.05585	3.2
343.21036	1.2
351.53336	0.6
359.07791	4.1
403.14001	1.0
410.27673	0.6
515.11572	2.6
533.13080	23.0
561.79449	0.6
565.15479	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.95169	0.2
76.30846	0.2
112.76052	0.3
130.34975	0.2
150.45995	0.2
191.30968	0.2
216.87236	0.2
219.86571	0.2
225.10490	0.2
301.28122	0.2
335.39648	0.2
502.32602	1.1
504.33026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92691	0.2
55.48334	0.2
57.65903	0.2
59.01377	1.1
61.98824	100.0
67.71262	0.2
76.78667	0.2
79.55740	0.2
84.56712	0.2
85.68509	0.2
132.31906	0.2
175.12335	0.2
363.27060	0.2
502.32553	1.5
504.33746	0.8
552.70770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77952	1.2
52.37062	1.0
56.50975	1.1
59.01353	1.1
59.37510	1.1
61.83351	1.0
61.98835	8.6
62.15883	1.3
67.92504	1.2
75.78697	1.0
78.95900	6.8
92.10829	4.6
108.35261	1.2
109.02997	1.7
114.12229	1.2
175.03925	2.0
176.04854	1.6
189.01935	6.7
191.05626	2.1
205.13000	1.3
249.18719	1.9
279.23279	100.0
280.23535	2.5
301.14331	1.7
302.78986	1.5
335.98642	1.3
341.06683	10.0
402.43100	1.4
504.30972	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	564.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57239	0.5
57.48272	0.5
58.67693	0.4
59.01388	7.8
61.98830	100.0
65.85304	0.5
71.01392	1.1
73.02934	0.8
85.02932	0.6
91.43478	0.5
93.03463	0.6
101.02426	0.6
191.05600	3.2
192.05939	0.7
222.87346	0.5
285.32712	0.5
460.30502	0.6
486.33463	2.4
503.33490	3.2
504.33939	8.9
564.30066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.2
60.01725	0.5
61.98827	100.0
64.67259	0.4
66.73016	0.4
68.75837	0.4
71.01389	0.8
85.02975	0.6
89.02447	0.4
92.10070	0.9
101.02435	0.7
184.06201	0.5
191.05569	2.4
245.80083	0.5
324.05954	0.6
408.30002	0.5
458.33905	0.5
461.95102	0.5
473.59366	0.4
503.33667	4.6
504.34155	11.5
534.68652	0.6
534.76703	0.5
564.29956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43946	1.2
56.68045	1.1
58.94972	1.1
59.01379	1.1
61.98825	100.0
64.01283	1.3
75.00867	11.0
109.52927	1.3
198.66182	1.2
313.49829	1.6
501.32324	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	563.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01188	0.4
54.81469	0.4
59.01384	100.0
60.01691	0.4
61.98835	3.3
61.99098	0.3
66.30301	0.4
71.68497	0.4
75.00897	0.5
84.81477	0.3
86.27460	0.4
87.69561	0.4
103.73464	0.4
106.26283	0.4
152.43660	0.5
304.30936	0.5
330.73349	0.4
360.72556	0.5
407.29477	0.7
421.31168	0.7
423.32681	1.8
441.33862	1.5
455.31662	2.4
459.34869	6.3
467.31326	0.6
469.33316	0.7
485.33072	0.5
503.33884	2.6
563.35815	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	563.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64077	0.9
55.01886	1.4
57.03456	4.7
58.00579	1.1
59.01373	52.1
61.98815	11.0
66.20084	0.9
71.01369	14.1
73.02953	4.3
85.02937	13.3
87.00877	2.6
89.02444	4.6
93.03435	12.2
101.02388	7.9
113.02439	5.8
119.03394	1.2
127.04020	1.6
135.04514	27.3
145.02933	4.6
151.04021	2.5
155.91096	1.2
161.04607	1.9
161.05977	1.1
172.05270	1.5
173.04495	4.3
179.03488	6.2
191.05612	54.4
202.38448	1.4
233.08186	5.4
257.30856	1.5
288.24249	1.2
308.09158	1.2
341.26843	1.9
352.08246	1.2
371.15024	10.0
372.15210	1.4
379.30103	1.2
409.31183	4.8
421.31046	2.3
423.12671	2.4
425.30533	2.4
441.33960	2.3
467.31628	1.9
473.32745	4.2
485.32758	20.2
503.33594	100.0
517.31799	1.5
562.77051	1.6
563.21252	7.9
563.29578	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	563.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29135	0.5
58.00593	0.9
59.01083	1.3
59.01377	36.1
61.98835	7.8
71.01374	3.3
73.02930	5.2
78.95882	0.7
83.01380	0.6
85.02934	1.0
101.02454	0.6
135.23471	0.6
191.05641	6.6
199.82071	0.7
219.02725	0.7
223.84422	0.6
255.03105	0.7
299.05585	1.0
375.30737	4.3
389.28128	0.6
393.31705	0.8
405.31662	1.0
407.07907	0.7
407.29248	1.0
421.31104	0.8
427.32294	0.9
441.33688	2.5
455.31152	0.9
459.34787	1.1
473.32547	3.0
485.32819	2.7
503.33823	100.0
504.33920	3.3
517.31909	0.8
524.27637	0.8
563.29095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17780	1.7
54.81747	2.2
58.71271	1.7
59.01375	94.3
59.01669	3.4
61.98824	64.1
64.59513	1.8
66.07889	1.7
71.01364	3.7
101.02412	3.2
108.94792	2.0
109.29187	2.0
110.71271	2.1
113.35755	2.0
117.34532	2.0
161.04492	2.5
169.83250	2.1
191.05608	12.3
310.87360	2.2
421.30826	7.4
455.30698	3.2
458.67996	2.5
485.32791	10.8
494.21167	2.3
501.32211	12.9
503.33832	100.0
563.14954	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.01669	3.7
61.98826	2.1
62.78024	2.0
75.00864	53.9
80.55444	2.7
87.78982	2.1
99.22791	2.9
101.10251	2.7
126.06872	3.1
274.98438	3.2
375.75601	2.9
487.34528	12.2
503.33542	5.7
563.27991	3.0
563.36115	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	563.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.0
57.03447	0.9
59.01374	100.0
61.98824	8.5
67.47641	0.9
68.94385	0.9
69.31728	0.9
71.01366	11.1
73.02968	1.6
83.01376	1.7
85.02939	8.3
87.00858	1.4
89.02452	1.1
91.91474	1.0
93.03444	1.6
95.01376	1.2
101.02427	9.2
113.02440	4.2
119.03545	1.5
137.58690	1.3
161.04515	9.6
191.05650	7.7
378.45746	1.1
441.33575	1.4
485.32904	1.2
503.32892	35.6
545.25055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15701	0.6
55.01883	7.1
57.03448	3.1
58.00581	2.9
59.01377	100.0
61.67386	0.6
61.98819	3.1
65.84929	0.8
68.16184	0.7
71.01373	44.7
71.05007	1.6
72.99320	1.6
73.02943	9.9
81.14610	0.9
83.01382	6.7
85.02935	19.8
87.00880	3.2
87.04475	0.8
89.02432	30.2
93.03441	1.8
95.01369	4.3
97.02965	1.3
97.06579	1.7
99.00874	4.5
101.02421	30.4
113.02440	19.8
119.03478	12.5
119.04980	0.7
121.10217	1.0
131.03487	1.2
135.04504	1.9
143.03470	1.4
145.02893	0.9
159.02924	1.0
161.04546	8.4
179.05577	3.4
190.11122	0.8
191.05618	17.2
213.18622	3.5
233.08162	3.3
237.18602	0.9
281.24808	1.9
293.24799	1.2
305.24820	1.8
341.26990	11.6
423.12936	1.2
474.74414	0.9
485.32410	1.3
503.32394	84.4
504.32663	1.6
558.14490	1.0
563.21320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03453	1.4
57.34961	0.5
59.01375	31.9
62.47812	0.5
64.54023	0.6
65.00342	1.0
67.68626	0.5
71.01371	23.1
72.99296	0.7
73.02930	6.5
83.01366	5.8
85.02945	11.0
87.00847	1.4
89.02426	20.5
92.10798	0.7
93.03464	1.5
95.01378	0.7
96.95971	0.8
99.00859	2.6
99.04449	0.7
101.02424	16.0
101.60508	0.6
107.01393	1.3
108.02142	0.9
109.02900	0.7
113.02427	9.8
117.03386	0.7
119.03465	4.0
125.02379	1.0
129.03397	0.6
131.03490	2.8
133.02946	0.7
135.04497	13.8
136.98253	0.6
137.02504	0.6
143.03476	1.1
149.02467	0.8
149.04567	5.5
151.00357	6.8
155.05003	0.8
157.02928	0.8
159.04500	0.6
161.04550	4.6
163.00322	0.7
167.19183	0.6
169.02863	0.7
171.04466	1.1
175.04018	0.7
179.05566	2.3
183.04477	3.9
185.02394	1.3
187.04031	1.1
189.01816	0.9
191.05565	7.3
199.04019	12.0
203.03455	1.3
209.15434	1.2
215.03419	2.9
217.01378	0.7
221.08237	0.8
226.02635	0.7
227.03499	10.2
242.02362	0.7
243.02951	32.6
244.03481	1.1
245.04410	0.9
254.02161	1.3
255.02956	30.4
256.03442	1.2
271.02457	59.7
272.03146	5.0
285.04065	6.9
287.05579	2.7
299.01956	93.2
300.02701	40.0
301.03125	1.2
314.04309	52.1
315.05090	100.0
316.05331	4.7
323.06027	0.8
357.01926	0.7
371.20709	19.5
503.24942	32.9
504.25681	0.8
519.11414	36.5
520.11536	2.7
563.14307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
57.03443	3.9
57.42771	0.7
58.00582	1.1
59.01374	77.1
61.98815	1.7
71.00977	2.0
71.01367	52.3
72.99303	2.1
73.02934	14.4
73.84558	0.8
75.00832	0.9
75.03252	0.7
77.86098	0.9
83.01366	7.8
83.75999	0.9
85.02943	22.7
87.00864	3.7
89.01881	1.7
89.02428	47.0
93.03439	3.7
95.01357	3.4
96.95979	7.4
97.02941	1.6
98.95568	2.0
98.96416	1.0
99.00871	7.2
101.02426	42.8
113.01736	1.3
113.02440	22.0
116.92831	5.4
119.03469	10.2
121.85688	1.0
123.04432	1.4
125.02414	4.2
131.03461	4.7
131.39461	1.0
133.02905	4.2
135.04509	1.0
143.03450	1.8
149.04565	6.2
161.02432	2.1
161.04520	12.7
173.04497	1.5
179.05672	0.9
191.05586	19.2
209.15504	1.3
285.04044	13.0
357.73169	1.1
359.15021	1.4
371.20728	51.6
404.23047	1.0
462.69580	1.1
471.25806	1.5
503.24976	100.0
504.25345	2.0
563.22192	1.4
563.31622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23701	0.6
54.16018	0.7
55.01881	6.7
57.03455	7.8
58.00592	1.4
59.01375	59.8
61.98830	1.4
62.05973	0.7
64.81496	0.8
66.03449	0.6
68.70620	0.6
69.03443	1.3
71.01370	72.6
72.99326	0.9
73.02933	25.0
73.03320	1.1
74.58212	0.7
75.00837	0.9
81.03450	0.9
83.01375	15.6
85.02935	37.0
85.77139	0.7
87.00879	2.7
89.02428	33.9
89.02961	1.1
92.10089	0.8
95.01348	5.2
96.95962	0.9
97.02956	3.3
99.00853	10.9
101.02424	55.0
111.00856	1.4
113.02438	31.2
119.03449	6.1
125.02444	4.0
129.01939	1.4
130.92044	0.9
131.03456	3.9
143.03474	3.5
149.04544	1.3
149.09692	0.8
159.02974	4.6
161.04543	17.7
167.65591	0.8
191.05498	5.2
209.15443	8.0
371.20724	68.4
484.69412	0.8
492.20685	0.9
503.25000	100.0
504.25394	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	563.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79221	0.4
53.27731	0.5
53.70566	0.4
53.77747	0.4
55.01892	4.4
57.03463	3.6
59.01383	40.3
61.98839	2.8
63.21038	0.5
67.01900	0.7
69.03461	2.1
71.01375	34.4
72.99309	0.7
73.02937	9.9
73.03318	0.5
75.00872	1.2
81.03448	0.6
83.01379	8.3
84.02185	0.6
85.02941	32.8
87.00864	5.9
89.02428	11.0
93.03445	8.0
95.01358	4.8
96.96008	3.3
97.02946	1.9
99.00870	5.1
101.02423	23.9
109.02933	0.9
109.64377	0.6
111.00867	2.4
111.04497	1.0
113.02435	15.3
119.03477	3.3
125.02449	2.5
127.04002	4.1
129.01936	1.2
131.03450	0.9
135.04501	0.8
143.03459	0.9
151.00327	1.0
153.01901	0.5
154.99852	2.6
155.03473	0.9
159.02988	2.5
159.04308	0.5
160.69305	0.6
161.02419	0.9
161.04535	9.2
163.03972	0.6
165.12845	2.8
172.05252	4.7
173.04573	2.0
177.01907	0.7
183.13884	3.9
187.04044	0.9
187.68604	0.5
191.05603	100.0
192.05910	2.1
197.06053	1.3
199.04015	6.7
200.04767	4.2
201.05507	0.5
209.15477	0.8
211.04015	1.0
213.05467	0.6
214.06392	1.0
227.03491	20.0
227.12930	2.9
228.04239	12.8
259.23050	0.6
283.13388	21.3
284.13980	0.6
301.14377	6.4
306.36584	0.6
309.14917	7.9
311.12903	5.6
315.18079	2.5
325.14456	2.7
327.15970	3.2
327.21930	1.1
329.13977	2.9
353.13876	7.2
357.19153	0.7
371.15027	58.7
371.20499	7.1
372.15396	1.0
477.23398	12.6
485.24069	0.6
501.19873	1.0
503.24887	11.2
519.24664	20.5
563.12598	1.0
563.21350	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	563.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26551	0.8
52.79705	0.8
54.05477	0.6
55.01875	3.2
55.46996	0.7
57.03447	4.8
58.00591	2.2
59.01381	94.6
61.98814	1.0
69.03453	1.4
71.01377	67.3
72.99300	2.0
73.02940	21.5
76.49578	0.8
83.01383	9.0
85.02460	1.8
85.02945	24.3
87.00867	3.6
89.02433	82.4
93.03447	3.8
94.78310	0.8
95.01347	1.2
96.95967	7.5
97.02937	1.9
99.00865	16.0
101.02426	49.2
109.02980	1.2
111.00860	5.8
113.02436	15.5
117.03444	4.8
119.03482	5.7
125.02427	6.3
129.01880	0.9
131.03479	18.5
133.02954	1.6
135.04521	1.4
143.03491	2.3
149.04533	32.9
159.04489	1.2
161.02435	7.3
161.04520	6.4
161.98454	0.9
173.04538	1.5
174.97003	0.9
175.00418	1.0
177.01883	2.1
184.82101	0.9
191.03976	1.4
191.05600	21.0
201.24374	0.9
203.03508	1.3
205.01340	1.0
209.15388	2.1
211.41129	0.9
221.06738	1.5
233.06775	2.0
251.07468	1.0
269.04706	2.9
279.06729	1.5
281.04541	9.7
282.05432	1.1
283.06219	1.6
293.08514	1.3
295.06134	15.8
297.07382	1.0
306.59439	0.9
308.03287	7.7
309.03925	4.1
311.05466	1.1
321.07550	3.6
323.05624	20.0
325.07047	1.6
347.05676	1.9
353.06497	1.6
353.19666	1.3
365.06750	2.2
371.20667	13.6
383.07678	1.7
503.12073	7.2
503.24960	100.0
504.25488	1.9
545.13123	5.2
563.14044	31.8
563.21973	1.9
564.14777	1.2
564.24121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41983	0.9
52.49736	0.9
55.01881	13.1
57.03445	8.7
59.01376	100.0
61.98809	2.5
67.01898	1.1
71.01373	69.3
71.80459	1.1
72.99290	1.3
73.02929	24.1
76.55558	1.1
82.84522	1.5
83.01380	21.2
85.02937	52.8
87.00886	4.5
89.02444	19.4
93.03444	5.1
95.01379	10.1
96.96027	2.3
97.02927	2.1
99.00873	10.7
101.02426	62.0
109.02927	2.1
111.00849	2.2
113.02438	34.3
116.92886	1.8
119.03493	5.1
125.02434	5.2
128.77905	1.4
129.01901	1.3
135.04489	1.2
137.02344	1.1
143.03464	2.1
151.00363	2.1
155.03572	1.4
159.03006	6.3
161.04539	21.4
173.04567	1.6
183.13834	2.4
189.01855	2.8
191.05591	34.6
227.03349	1.9
227.12845	2.1
309.14780	1.8
315.18076	6.0
327.15689	1.6
341.06616	2.1
353.13937	1.6
371.14993	7.8
435.66101	1.3
459.22269	1.6
477.23468	57.7
503.24268	5.0
503.31598	4.3
517.30182	7.3
519.24457	57.8
538.09863	1.4
563.21301	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	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49220	1.0
55.01876	9.6
57.03455	5.8
57.42303	1.0
59.01377	100.0
61.98831	6.2
71.01374	77.6
72.99297	1.9
73.02937	27.8
73.70876	1.0
80.84708	1.0
83.01385	14.1
84.95097	1.1
85.02942	46.7
87.00873	6.9
89.02431	20.1
89.02957	1.4
92.10814	2.3
93.03449	8.8
95.01373	7.8
96.96012	7.4
97.02925	1.7
98.95585	2.7
99.00877	8.8
101.02429	56.4
109.02942	2.6
113.02444	28.9
115.92058	2.6
116.92849	9.1
119.03484	4.9
121.02877	1.2
122.21491	1.1
125.02444	6.4
127.04006	1.5
131.03448	1.7
134.03738	2.3
135.04541	1.4
143.03485	2.2
149.04492	1.2
151.04063	1.9
159.03012	4.5
160.01595	5.2
161.02464	1.5
161.04559	15.7
165.12794	2.2
173.04523	2.4
175.03996	4.5
183.13843	5.0
191.05605	58.2
197.05981	1.1
227.03497	7.7
227.12831	1.7
228.04233	1.5
255.02934	2.2
283.13318	7.1
299.05453	1.8
301.14432	1.7
309.14987	2.4
315.18109	6.2
327.15933	1.3
353.13742	2.5
357.19220	1.9
371.15091	21.7
371.19693	2.1
387.16641	5.9
477.23480	43.3
485.24435	1.2
503.25027	8.9
519.24561	71.5
563.12982	2.3
563.21997	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81668	0.7
55.01879	3.5
57.03448	4.1
59.01373	29.7
60.99328	0.6
61.98835	1.1
67.01893	0.7
69.03461	1.5
71.01369	26.6
73.02941	7.7
75.57156	0.7
81.03458	1.4
81.52397	0.6
83.01384	5.7
83.05011	0.8
85.02937	25.0
85.03417	1.1
86.43110	0.7
86.58996	0.7
87.00868	4.2
89.02412	7.8
93.03427	7.0
95.01373	3.5
96.95994	2.8
97.12704	0.6
98.95599	0.7
99.00887	3.2
99.04475	0.6
101.02431	18.2
108.69230	0.9
109.02976	2.5
111.00879	1.2
111.04506	1.5
113.02450	9.7
116.92802	1.1
119.03504	1.4
125.02459	1.4
127.03984	3.7
129.01903	0.8
135.86578	0.8
137.02437	1.0
143.03497	1.0
154.99901	1.2
161.04535	4.8
165.12825	4.5
172.05229	5.6
173.04517	3.9
183.13898	4.7
191.05598	100.0
192.05927	1.3
197.05956	1.5
199.03932	6.9
200.04810	3.9
211.04068	1.4
213.05588	1.1
227.03491	22.9
227.06905	1.2
227.12886	3.4
228.04279	11.2
283.13397	26.4
301.14368	4.6
309.14923	11.4
311.12875	5.3
325.14423	3.1
327.12390	1.1
327.16019	3.4
329.13892	3.7
353.13861	9.5
371.15012	62.9
371.20386	4.8
372.15015	1.2
401.17596	0.9
477.23447	10.2
501.19788	3.1
503.25049	8.5
519.24615	14.3
563.21582	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	563.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69625	0.7
55.01874	8.5
55.02085	0.6
57.03458	6.1
58.00589	1.6
59.01376	100.0
61.98843	1.1
63.32320	0.8
69.03458	4.6
69.91705	0.8
71.01371	75.6
72.99303	1.7
73.02932	33.8
73.03324	1.3
75.00874	0.9
78.04232	0.8
79.80534	0.8
81.03472	1.2
83.01377	16.9
85.02940	46.4
87.00874	8.2
89.02424	12.9
89.13193	0.8
93.03423	1.5
95.01367	11.0
96.96006	3.6
97.02933	5.6
99.00861	13.7
101.02425	51.7
111.00880	3.7
113.02441	38.3
114.03225	1.1
119.03498	4.3
121.02944	4.2
125.02431	5.1
129.01932	1.2
134.31610	0.8
137.49156	0.7
141.01968	1.0
143.03534	5.6
159.02968	5.9
160.01646	1.7
161.04538	19.7
175.03877	1.3
191.05632	8.4
216.31728	0.9
228.07965	3.4
243.10233	4.1
287.09143	1.1
315.18152	18.0
357.19077	5.6
381.19128	1.5
459.22345	21.0
477.23434	83.2
478.23914	1.0
503.31815	1.4
519.24542	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	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20096	0.2
53.28589	0.2
56.47063	0.3
57.35645	0.3
59.01389	1.6
60.99293	0.2
61.43846	0.3
67.01914	1.8
71.01403	1.2
73.60891	0.3
75.98073	0.2
81.03454	0.4
83.05031	0.3
85.02951	15.4
87.00874	4.6
89.00045	0.3
89.04060	0.3
92.97519	0.3
93.03448	11.0
96.96006	3.9
98.95602	2.0
99.04493	0.4
103.37062	0.3
109.02943	9.7
109.03624	0.5
111.04511	2.8
119.05030	1.5
121.02972	0.7
123.04507	0.4
127.03986	4.3
129.03482	0.5
137.02396	0.3
145.02924	7.5
146.03690	3.9
147.04507	14.2
149.02394	0.3
155.03445	0.4
157.02931	1.7
158.03708	1.6
159.04501	7.9
161.02444	1.1
171.03035	0.6
173.02377	0.5
173.04541	3.7
174.03206	1.4
175.03990	9.0
190.44461	0.3
191.05611	100.0
192.05988	0.4
203.03493	0.8
217.05054	1.3
219.02988	42.5
219.16231	0.3
221.06010	0.6
229.01357	2.3
239.07008	0.4
249.05551	1.7
265.05017	0.4
267.06622	2.9
269.08167	4.6
271.54730	0.3
277.05069	3.0
278.05692	0.4
293.04578	0.6
295.06116	9.5
313.07083	0.4
339.05124	5.3
371.07785	0.6
430.07626	0.3
446.19711	0.3
487.12363	2.5
531.11438	1.2
563.14056	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
59.01369	1.4
67.01884	0.7
69.03474	0.6
71.01373	2.5
73.02960	0.7
85.02945	6.8
87.00861	1.4
93.03441	8.4
96.96009	5.1
101.02442	0.6
109.02969	1.5
111.00859	1.2
111.04505	0.9
117.03429	10.5
118.16180	0.7
119.05012	1.5
123.04494	0.9
127.03974	1.3
131.05011	0.8
133.02957	1.3
135.04480	6.8
144.57092	0.6
145.02965	0.7
147.04459	1.1
149.02396	2.7
161.02422	7.4
163.03955	3.1
165.02000	1.0
173.02376	0.8
173.04497	2.6
175.00375	0.7
175.03976	3.2
177.01935	1.3
177.05449	1.2
178.99828	0.8
179.03410	2.3
191.03783	2.8
191.05589	60.7
193.04996	0.9
203.03508	1.5
205.05038	1.2
221.04552	0.8
224.08429	0.8
225.05627	1.0
229.04944	1.1
230.05205	0.7
239.07228	0.9
239.95436	0.7
243.02850	0.7
245.04478	0.8
253.04938	0.7
253.08720	0.8
267.06506	1.4
268.03635	1.2
268.07172	1.0
269.04547	2.7
281.04413	4.8
282.05301	10.4
283.06085	14.0
288.98428	0.8
293.04449	0.8
294.05695	0.6
295.02771	1.3
295.06055	7.9
295.09369	0.7
295.10477	0.6
296.03613	0.6
296.06876	3.1
297.04013	13.1
297.07654	23.5
307.06137	3.5
309.07617	3.4
311.05630	18.5
323.05563	6.9
325.07129	10.6
328.06119	4.7
335.05557	2.3
337.07306	4.7
341.06647	3.8
351.05081	0.7
353.06491	36.2
355.08115	1.5
356.05557	1.4
365.06665	6.3
377.06644	1.0
383.07660	29.4
395.07785	2.9
401.08719	2.5
407.07510	0.7
413.08701	4.2
425.08710	2.5
443.09766	7.6
473.11002	5.3
503.11649	0.7
545.13263	1.3
563.14050	100.0
563.27625	3.4
564.13879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17756	1.1
52.49984	1.2
55.01877	1.2
57.41883	1.3
58.90105	1.2
59.01361	2.1
71.01376	2.8
73.62276	1.3
76.93377	1.3
80.45721	1.3
85.02930	2.5
87.00874	7.8
87.58415	1.2
93.03425	2.4
94.66940	1.2
101.72469	1.6
109.02909	2.1
111.04406	1.5
115.00349	2.6
117.03441	5.5
147.04482	3.3
149.02422	1.9
161.02422	3.0
163.04079	1.7
175.02451	12.9
175.03915	2.9
191.03732	2.8
191.05579	26.8
192.96451	1.3
217.21495	1.5
219.02953	2.3
259.18158	1.6
268.07452	1.6
283.06082	7.7
295.05984	11.2
296.06961	1.9
297.07602	29.4
307.06064	2.4
309.07550	1.8
311.05585	5.8
323.05725	5.4
325.06998	9.6
328.05887	6.1
337.07275	2.6
353.06638	44.2
359.14948	2.3
365.06714	7.5
367.00790	1.5
372.26340	1.4
383.07712	36.9
395.07651	5.6
407.07626	2.2
413.08661	2.5
443.09879	7.1
473.10962	8.2
545.12524	1.9
563.14075	100.0
564.14691	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	563.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33956	0.2
53.88222	0.2
55.01879	0.5
55.71714	0.2
59.01374	1.4
59.45304	0.2
61.39239	0.2
71.01364	2.0
72.20702	0.2
73.02939	0.4
79.01865	0.3
83.01378	0.4
85.02929	0.4
87.00896	0.4
89.02451	0.6
91.05528	0.5
93.03423	2.3
95.01394	0.4
96.95992	1.5
101.02451	0.6
109.02857	0.3
117.03449	7.8
119.05006	1.4
120.17144	0.2
131.04973	0.5
133.03040	0.3
133.06586	0.5
133.52699	0.3
135.04488	4.2
137.02402	0.5
145.02942	1.1
147.04510	1.3
149.02377	1.5
149.06020	0.5
150.62645	0.2
157.06525	0.3
158.03654	0.3
158.71986	0.3
159.04506	0.7
161.02438	4.2
161.06079	0.5
163.03979	2.4
171.04407	0.4
173.02469	0.4
173.06029	0.4
175.03981	3.1
177.01895	1.4
177.05591	2.3
178.66238	0.3
179.03494	1.1
185.02351	0.4
187.03961	1.1
189.01903	1.4
189.05531	1.4
190.02565	0.4
191.03578	2.0
191.05487	2.0
197.06082	0.6
203.03539	2.7
205.05066	1.3
205.12257	0.3
210.06758	0.4
213.05803	0.3
215.03368	0.5
217.05032	0.5
219.03076	0.3
221.04552	1.4
223.07550	0.4
224.08354	0.6
225.09119	0.4
231.02849	0.3
233.04530	1.4
237.05444	0.3
238.06232	0.6
239.07033	0.4
243.02849	0.3
245.04482	0.6
249.64114	0.3
251.07079	1.1
253.04968	0.3
253.08693	1.1
257.04477	0.4
267.06567	1.3
268.07376	1.5
269.04651	0.3
279.06757	0.3
281.04550	1.9
282.05341	3.2
283.06146	6.1
293.04590	1.2
293.07983	0.3
295.06076	8.9
296.06802	4.2
297.07648	31.4
300.67804	0.3
307.06027	3.0
309.07672	4.0
311.05612	5.3
321.07462	0.4
322.04575	0.4
323.05618	6.9
323.09238	0.7
324.06378	1.3
325.07162	11.3
328.05914	5.4
333.07584	0.4
335.05627	2.2
337.07166	5.1
341.06744	1.1
349.07306	0.5
351.05115	0.6
353.06653	48.7
354.07050	0.6
355.08255	1.6
356.05432	1.8
365.06625	7.2
367.08270	1.3
377.06683	0.4
381.06177	0.5
383.07700	34.3
384.08139	0.3
395.07733	5.6
397.09091	0.4
407.07727	0.6
413.08795	5.5
419.07388	0.4
425.08765	2.2
437.08743	0.6
443.09857	9.9
455.09799	1.3
470.25851	0.3
473.10895	7.0
485.10852	0.5
503.11810	0.4
517.22778	0.4
563.14063	100.0
564.14063	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	562.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.98823	100.0
79.77776	0.3
87.54136	0.3
92.60346	0.4
98.31109	0.3
112.60473	0.3
125.17564	0.3
191.05585	1.6
500.30725	1.5
502.31400	0.4
568.30182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62420	0.5
53.35459	0.6
56.09698	0.5
59.01375	2.7
61.98823	6.6
70.46749	0.6
71.01367	0.6
78.95887	27.3
80.96503	2.9
84.43946	0.6
85.02946	1.2
86.90916	0.7
152.43529	0.7
152.99593	6.2
160.28287	0.5
168.04248	4.1
190.29327	0.7
191.05635	9.8
192.05902	1.3
224.06943	9.6
231.38303	0.6
241.79305	0.7
242.07935	2.6
277.21710	100.0
278.22025	0.8
383.20724	0.7
502.29373	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
57.46300	0.2
59.01377	1.8
60.99300	0.4
64.30318	0.2
67.01893	1.6
71.01381	1.6
83.05009	0.3
85.02933	11.9
85.03409	0.5
87.00858	12.0
89.02433	0.4
91.05251	0.3
93.03440	8.3
109.02934	1.2
111.00867	24.7
111.04522	1.7
127.04009	1.7
129.01898	1.8
129.29324	0.3
133.02925	0.5
135.04494	8.2
137.02405	1.3
155.03473	0.4
161.02390	3.2
173.00948	1.0
173.04512	5.5
179.03546	0.4
179.99196	0.3
185.13803	0.2
191.01987	16.8
191.05597	100.0
192.05974	1.6
197.20995	0.3
300.06641	0.3
353.08838	3.1
371.09827	27.1
372.10617	0.3
421.98111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.7
60.01700	0.3
61.98824	100.0
71.01390	1.0
76.55730	0.2
78.29980	0.2
79.40466	0.2
83.05038	0.5
85.02956	0.5
87.00893	0.2
89.02419	0.2
93.03446	0.5
96.95982	0.3
101.02415	0.5
116.92825	1.8
126.13041	0.2
137.62531	0.2
143.60526	0.2
145.02936	0.2
173.04497	0.4
191.05597	4.0
201.09233	0.2
277.83698	0.2
483.31308	0.3
484.31497	1.1
501.32086	2.2
502.32559	6.8
503.31863	1.1
561.11127	0.3
562.28247	0.3
563.21423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81526	0.5
59.01375	100.0
59.09412	0.6
61.98820	1.2
71.05016	1.2
73.66201	0.6
75.00875	0.9
76.92509	0.6
145.02948	0.8
161.28249	0.6
168.72044	0.6
264.01889	0.6
411.21677	0.6
457.33194	1.5
471.30942	0.8
479.22223	0.9
501.32135	4.2
560.93481	0.7
561.26947	1.1
561.34460	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	562.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39673	0.3
51.77151	0.3
59.01369	1.4
59.92216	0.2
61.98823	100.0
71.01369	0.7
71.53579	0.3
75.74265	0.2
80.90704	0.2
85.02945	2.2
87.00863	1.1
89.02467	0.4
93.03434	2.0
94.10261	0.3
97.48866	0.3
99.00856	0.4
109.02934	0.7
113.02441	0.3
115.00355	2.5
120.29366	0.3
123.00313	0.3
127.03935	0.3
133.02885	0.3
135.04485	0.6
149.06036	4.9
151.06578	0.3
161.02434	4.4
162.02846	0.4
174.03178	0.5
175.02423	3.7
175.03960	1.5
177.01918	1.9
187.04092	0.4
189.05362	0.3
191.05603	6.7
192.05876	0.4
193.05061	0.4
203.03242	0.3
205.05005	0.3
213.77779	0.3
215.03407	0.6
219.02910	1.8
229.01402	0.5
233.04521	2.1
237.03998	2.7
268.06271	0.3
277.03348	0.4
293.06702	0.4
337.05560	4.2
360.09232	0.3
499.10962	10.2
501.11386	0.7
502.11832	1.4
531.22003	0.3
562.10278	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44921	1.3
59.01365	2.5
60.64222	1.4
67.61797	1.6
67.88626	1.5
70.67099	1.3
71.05022	2.7
74.93145	1.6
75.63773	1.5
82.76172	1.5
92.10085	4.1
95.65453	1.6
98.18112	1.6
120.90440	1.7
122.54971	1.8
152.65086	1.8
174.79221	1.7
191.05582	7.6
277.21677	8.3
413.34113	7.0
434.81073	1.8
448.79089	1.8
457.33307	13.8
501.32248	2.3
503.33801	88.2
504.34195	2.4
561.29578	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	561.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03444	5.1
58.00586	5.0
59.01376	100.0
61.98820	9.1
62.56229	1.1
65.17687	1.3
71.01368	44.1
71.04998	1.3
73.02941	13.0
75.00861	1.2
77.09841	1.3
78.95916	1.2
83.01373	8.6
83.05018	2.1
85.02936	28.8
85.06617	4.2
87.00857	4.8
88.42256	1.1
89.02455	13.4
90.27531	1.3
92.09976	2.0
93.03441	5.3
95.01376	2.1
96.95987	2.7
97.06570	2.9
99.00859	5.5
100.23163	1.2
101.02429	25.1
101.20126	1.1
101.20773	1.3
104.44597	1.1
111.04388	1.2
113.02438	17.5
119.03553	1.8
125.09743	1.8
135.04471	1.6
136.33482	1.4
143.03455	1.5
159.02969	2.0
161.04532	15.6
173.04482	1.7
179.05597	1.8
191.03966	2.1
191.05609	38.2
211.17093	2.4
215.09148	1.3
221.09564	1.3
222.13695	1.2
227.03468	2.7
273.96756	1.2
283.13339	5.6
291.23328	1.7
295.02417	2.5
301.14413	1.3
309.14780	2.0
309.24438	2.1
321.24289	1.7
339.25320	24.2
353.13840	1.4
467.31671	1.6
501.31409	36.5
522.90143	1.4
561.28473	20.3
561.76239	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	561.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.9
57.03464	3.5
58.00612	1.7
59.01382	100.0
61.98838	3.7
71.01376	39.1
72.99331	1.1
73.02937	7.5
83.01376	6.9
85.02941	21.6
85.06592	1.4
87.00893	3.0
89.02429	27.5
89.02946	1.0
90.06864	0.6
91.94257	0.6
92.63916	0.7
93.03455	4.5
95.01374	4.6
97.02915	0.7
97.06573	1.0
99.00887	2.8
101.02425	30.6
113.02431	16.6
119.03473	11.3
131.03496	1.1
143.03513	1.3
149.04535	0.7
159.03018	1.1
161.04524	10.6
176.50055	0.7
179.05609	2.8
191.05603	22.2
192.05931	1.0
199.03998	1.5
205.16096	1.2
211.17079	1.2
218.96497	0.7
227.03548	3.6
228.04340	1.1
283.13379	5.4
295.02493	1.1
311.12524	0.8
321.24307	0.9
339.25381	10.8
341.23422	1.0
399.14914	1.0
399.64948	0.9
440.33774	0.8
501.30756	45.2
515.95148	0.7
561.26227	9.8
561.76453	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	561.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94274	0.5
51.02358	0.5
55.01892	0.8
57.03458	1.1
58.00595	0.9
59.01375	88.3
69.03465	0.7
71.01371	58.5
72.99302	2.5
73.02938	13.4
83.01398	3.1
85.02934	10.9
87.00854	2.4
89.02428	100.0
95.01403	0.8
97.02921	1.3
99.00878	6.3
101.02427	34.0
113.02435	9.5
119.03447	4.3
125.02412	1.0
125.56993	0.6
131.03484	19.9
137.09717	3.8
143.03476	1.1
147.90732	0.7
149.04543	56.1
161.04532	1.4
179.18489	0.7
191.05623	12.8
221.06703	1.2
229.39906	0.6
251.07674	1.0
293.08838	1.1
311.09802	2.5
561.21423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.9
59.01377	7.5
60.99320	1.4
67.01894	6.1
69.03457	1.3
71.01382	3.7
78.95905	3.1
81.03470	0.9
83.01397	0.8
83.05019	0.9
85.02936	8.3
86.64725	0.7
87.00866	15.4
89.02448	1.5
93.03443	46.3
96.96001	12.5
96.96955	2.3
101.02393	2.1
109.02959	0.8
111.00883	2.9
111.04529	8.3
113.02486	0.8
121.02062	1.0
121.02937	32.2
127.00407	1.1
127.03992	0.9
129.01935	0.8
133.02919	0.6
133.05043	1.5
145.02902	0.6
155.03462	1.2
161.87270	0.6
173.04536	38.0
175.02475	1.3
177.01875	1.0
181.05046	6.9
181.07156	0.7
181.61058	0.6
184.98645	0.7
189.00391	1.0
191.05608	100.0
192.05922	0.7
201.15254	0.6
217.13284	0.7
219.94235	0.6
233.06625	1.2
237.27402	0.6
265.09293	1.3
337.09290	2.8
355.10342	61.4
356.10352	0.7
411.84943	0.7
446.37146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.9
59.01377	7.5
60.99320	1.4
67.01894	6.1
69.03457	1.3
71.01382	3.7
78.95905	3.1
81.03470	0.9
83.01397	0.8
83.05019	0.9
85.02936	8.3
86.64725	0.7
87.00866	15.4
89.02448	1.5
93.03443	46.3
96.96001	12.5
96.96955	2.3
101.02393	2.1
109.02959	0.8
111.00883	2.9
111.04529	8.3
113.02486	0.8
121.02062	1.0
121.02937	32.2
127.00407	1.1
127.03992	0.9
129.01935	0.8
133.02919	0.6
133.05043	1.5
145.02902	0.6
155.03462	1.2
161.87270	0.6
173.04536	38.0
175.02475	1.3
177.01875	1.0
181.05046	6.9
181.07156	0.7
181.61058	0.6
184.98645	0.7
189.00391	1.0
191.05608	100.0
192.05922	0.7
201.15254	0.6
217.13284	0.7
219.94235	0.6
233.06625	1.2
237.27402	0.6
265.09293	1.3
337.09290	2.8
355.10342	61.4
356.10352	0.7
411.84943	0.7
446.37146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32052	0.5
52.29632	0.4
55.07578	0.5
55.49646	0.5
57.03423	0.8
59.01375	2.9
64.73031	0.6
67.01898	2.2
67.72797	0.4
71.01369	2.3
73.02944	0.6
81.03432	2.4
83.05031	1.3
85.02938	18.7
87.00860	5.0
89.03970	0.7
93.03431	14.2
93.03966	0.8
96.95982	9.7
105.03448	0.5
109.02934	7.6
111.04510	2.4
121.02946	9.1
123.00902	0.6
123.04526	0.9
125.02419	1.1
127.03976	3.8
133.02962	6.7
134.03703	3.4
137.02461	4.5
139.01924	0.6
145.02965	0.7
147.00858	2.1
148.01570	0.6
149.02414	15.5
150.03168	0.9
151.03976	12.7
161.02417	7.8
163.00331	2.8
164.01100	1.9
165.01883	2.9
172.01579	0.6
173.04514	2.8
175.00385	1.0
176.01057	0.7
177.01933	9.7
191.05594	97.2
193.01399	6.7
193.05031	21.3
195.04480	0.7
200.01138	3.0
201.01935	6.5
203.03445	2.0
205.05054	0.8
209.06047	3.2
211.03967	2.4
212.04633	0.6
213.05537	0.8
217.01392	8.2
217.05016	1.1
219.04272	0.6
221.06035	1.2
222.03236	0.6
225.05544	1.2
228.00508	1.0
229.01265	2.1
232.03564	0.7
235.04001	0.7
237.05537	7.1
238.06184	0.5
239.03404	3.0
241.05022	1.2
243.02916	2.8
244.00053	5.0
247.03810	0.7
249.05515	0.8
251.03418	2.2
251.37512	0.5
253.04985	3.8
256.03772	1.2
259.02481	4.0
263.03381	0.8
264.04224	2.2
265.05051	8.6
266.02194	0.5
266.05743	2.5
266.91827	0.5
267.02988	4.0
267.06595	0.5
280.03757	1.3
281.04550	7.1
282.05157	1.0
291.02866	0.6
292.03748	2.8
293.04565	10.1
295.02390	0.6
296.03247	0.8
299.63431	0.6
308.03085	0.7
309.04041	11.6
310.04724	0.9
319.02417	1.0
325.07166	3.6
337.03540	16.1
367.06610	5.6
369.06116	100.0
370.06125	0.6
390.22964	0.6
419.02411	0.6
479.19614	0.6
561.12750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10834	0.5
55.01878	3.5
57.03445	6.8
57.09713	0.5
59.01374	0.7
59.33533	0.5
71.01373	1.0
73.02931	18.5
78.95896	1.3
83.01374	58.5
85.02937	10.0
87.00860	14.0
93.03418	2.5
96.95984	3.8
96.96945	4.2
99.00863	10.9
101.02416	3.0
101.06084	1.0
108.02159	0.8
109.02944	2.6
111.00870	23.5
111.04520	0.7
116.10493	0.6
119.54725	0.6
123.04503	0.6
127.00359	93.6
127.03975	1.1
129.01945	0.9
129.05681	0.6
133.02934	2.8
151.04018	0.9
173.04510	2.8
177.01836	0.9
184.98570	0.8
189.00394	100.0
191.01987	13.2
191.05606	41.3
211.22647	0.7
250.88866	0.7
369.07947	1.0
371.09631	3.6
375.19131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78779	0.1
57.03445	0.1
58.91970	0.1
59.01376	4.2
61.98834	0.3
63.02408	0.1
65.00330	0.8
66.95868	0.1
71.01370	1.6
73.02937	0.2
75.19063	0.1
83.01382	0.7
85.02936	1.2
87.00869	0.1
89.02406	1.2
93.03452	0.7
94.33212	0.1
96.96006	1.0
97.63099	0.1
101.02416	0.8
105.03430	0.1
107.01382	2.2
109.02962	0.4
111.04494	0.2
113.02461	0.9
119.03487	0.3
121.02926	0.7
123.04474	0.2
125.02428	0.4
132.02226	0.1
133.02930	9.7
135.04489	0.2
141.22287	0.1
149.02403	1.7
149.10947	0.2
150.99202	0.2
151.00362	5.1
171.04559	0.2
173.04488	0.3
175.03975	3.4
177.01910	0.3
179.05583	0.3
185.06046	0.2
187.62834	0.2
189.05408	0.2
191.05583	4.3
197.06100	0.2
198.03273	0.3
199.04007	2.3
201.01881	0.9
213.05592	0.3
215.03528	0.2
217.05107	1.5
241.05083	1.3
243.02885	1.1
255.03111	0.2
257.04388	0.3
267.02768	0.2
284.03339	0.6
285.04034	100.0
286.04437	1.6
339.05197	0.3
352.07791	0.2
447.09329	5.9
501.24124	0.2
501.30576	1.2
513.10400	0.3
523.34668	0.2
560.31903	0.6
561.32373	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	559.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32209	1.4
56.04800	1.5
57.03454	9.7
59.01379	60.6
60.08832	2.0
61.98820	17.9
63.83280	1.9
65.00323	13.6
71.01373	21.0
73.02956	2.9
83.01401	16.1
85.02966	13.2
87.00856	4.1
88.98782	4.6
89.02444	11.4
93.03451	11.7
94.98061	10.6
95.01382	2.9
96.96022	23.8
99.00845	3.1
99.04504	2.7
99.21790	2.1
99.92551	1.9
101.02444	11.2
107.01392	17.8
109.02970	2.6
109.53013	2.0
113.02436	13.8
115.00377	2.0
116.92797	2.0
119.05007	3.7
121.02859	2.3
123.04511	20.1
125.02422	41.5
133.02910	2.6
134.03741	20.9
135.04497	11.3
146.23685	1.9
149.06056	4.5
151.00356	77.0
157.38809	1.9
158.03693	2.5
160.01633	10.3
167.03477	35.6
172.05264	2.4
173.06033	4.8
175.02588	3.3
175.03989	11.6
178.02698	12.0
183.13765	3.9
187.07631	42.5
191.05609	31.4
193.05043	34.2
201.05534	4.1
202.06354	21.4
213.09189	4.3
215.07068	10.3
231.10233	14.5
257.08185	3.2
262.28067	2.5
267.15436	2.4
323.81543	2.2
339.08707	9.2
365.10193	5.0
383.11285	58.2
384.11685	2.4
499.29178	8.5
521.33575	4.4
523.21918	4.4
523.34784	26.5
559.14484	8.3
559.32428	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	561.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20430	0.1
59.01369	0.1
69.72840	0.1
76.00636	0.1
79.95712	1.7
84.84635	0.1
85.02930	0.6
87.00826	0.2
92.10074	0.4
92.64214	0.2
95.85414	0.2
96.95990	100.0
98.95567	1.5
98.96416	0.2
99.49692	0.2
99.92559	0.2
107.01367	0.6
112.42612	0.2
113.02425	0.9
115.92031	0.3
135.04483	2.6
151.00345	4.4
175.02434	0.6
191.05501	0.3
287.05557	1.6
424.57980	0.2
463.08832	2.9
480.09006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06010	0.2
54.04282	0.2
55.01871	0.3
57.03448	1.7
59.01376	100.0
60.01704	0.3
61.98823	0.6
65.00315	0.4
69.03456	1.3
71.01375	3.6
71.05042	0.3
72.99317	0.2
73.02935	1.2
76.17692	0.2
81.63210	0.3
83.01393	1.2
83.05028	0.6
85.02943	2.7
87.00861	0.6
89.02446	2.0
89.11990	0.2
89.45042	0.2
92.51540	0.2
93.03451	0.4
96.96014	0.4
98.41721	0.3
99.00837	0.4
101.02419	2.5
107.01352	0.5
108.02171	0.3
111.08190	0.3
113.02441	2.4
119.03460	1.1
125.02468	0.5
134.03693	0.3
135.04514	4.0
136.01637	0.4
139.11295	4.3
143.03459	0.3
151.00337	5.0
161.04526	1.4
164.01132	2.0
173.04553	0.4
175.02487	0.4
179.05502	0.5
183.10246	19.4
185.11835	3.1
186.73938	0.3
191.05576	0.5
196.00066	0.5
199.03998	0.6
199.64232	0.3
209.11826	0.3
221.40956	0.3
240.04195	0.3
245.21597	0.3
258.05261	0.4
264.45377	0.3
285.04007	1.3
286.04752	1.9
287.05518	1.6
331.17758	0.4
333.19196	8.6
383.11255	1.3
411.06393	0.3
483.31165	0.3
499.28894	0.4
501.32416	2.7
502.32104	0.4
559.14398	0.5
559.27734	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	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03439	11.5
59.01375	100.0
60.99306	15.5
61.98819	5.8
65.00325	1.7
67.01886	1.8
71.01371	34.1
72.99308	9.2
73.02926	3.1
75.00854	5.5
81.03405	1.6
83.01373	14.2
83.50610	1.6
85.02949	20.8
87.00872	3.1
88.98790	69.7
89.02422	30.6
90.99229	1.8
92.10153	3.5
93.03448	8.7
94.98027	1.4
95.01363	2.6
96.96000	20.8
99.00894	6.6
99.04501	3.7
101.02413	17.4
107.01377	2.5
108.50317	1.5
109.02945	6.4
109.94805	1.5
111.00877	12.3
111.04504	1.4
113.02430	11.6
118.09467	1.5
119.03474	8.2
121.02968	1.8
123.04494	3.8
125.02431	11.0
129.01918	18.0
133.02943	3.1
134.03345	1.4
135.04518	7.9
141.01678	7.3
141.03535	1.6
147.02980	56.9
151.00363	15.3
151.03860	1.7
160.01660	1.8
161.02499	1.9
161.13376	7.1
167.03481	8.1
173.04488	3.4
179.03487	2.4
179.05656	3.4
187.07582	1.6
187.11279	23.7
191.05623	38.7
192.05928	8.2
193.06154	1.8
205.12340	10.3
213.09251	7.4
231.10226	6.5
244.75842	1.5
249.11285	8.4
285.04153	1.9
365.10233	10.2
379.13980	29.9
383.11261	10.0
391.15225	1.5
397.09485	1.9
411.16614	3.2
499.29083	3.5
521.33398	2.1
523.34515	2.2
559.19763	17.1
559.32428	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	559.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10895	0.5
53.40675	0.5
55.01894	1.1
57.03463	1.5
59.01383	100.0
61.98823	7.8
65.82088	0.5
70.93427	0.5
71.01375	15.0
72.99320	0.6
73.02956	4.3
75.08688	0.6
75.43035	0.5
78.95950	0.6
83.01405	3.0
85.02954	7.2
87.00851	0.7
87.04485	0.6
88.98853	0.7
89.02433	7.2
92.10893	1.2
92.71210	0.6
93.03452	1.4
95.01403	1.1
95.48948	0.6
96.96011	3.4
99.00874	1.3
101.01803	0.9
101.02425	9.6
108.02162	0.9
109.32419	0.5
111.08166	0.7
113.02431	8.5
119.03509	1.3
123.00867	1.0
131.95215	0.6
134.03712	0.7
135.04495	1.2
143.77478	0.6
145.36150	0.7
151.00389	1.1
160.01637	0.8
161.04549	3.1
164.01166	1.1
173.04526	0.8
174.03194	0.8
175.04013	1.1
179.05589	1.5
191.05574	6.8
196.00127	0.8
199.32613	0.8
216.71835	0.7
239.46396	0.7
241.01428	1.0
242.02156	2.3
249.18605	0.8
265.77597	0.7
270.01645	2.5
270.52628	0.6
285.04153	2.4
286.04904	1.1
337.23746	3.7
383.11285	2.7
423.23907	0.8
499.29111	47.5
500.29443	1.1
523.22052	1.0
559.14471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03439	11.5
59.01375	100.0
60.99306	15.5
61.98819	5.8
65.00325	1.7
67.01886	1.8
71.01371	34.1
72.99308	9.2
73.02926	3.1
75.00854	5.5
81.03405	1.6
83.01373	14.2
83.50610	1.6
85.02949	20.8
87.00872	3.1
88.98790	69.7
89.02422	30.6
90.99229	1.8
92.10153	3.5
93.03448	8.7
94.98027	1.4
95.01363	2.6
96.96000	20.8
99.00894	6.6
99.04501	3.7
101.02413	17.4
107.01377	2.5
108.50317	1.5
109.02945	6.4
109.94805	1.5
111.00877	12.3
111.04504	1.4
113.02430	11.6
118.09467	1.5
119.03474	8.2
121.02968	1.8
123.04494	3.8
125.02431	11.0
129.01918	18.0
133.02943	3.1
134.03345	1.4
135.04518	7.9
141.01678	7.3
141.03535	1.6
147.02980	56.9
151.00363	15.3
151.03860	1.7
160.01660	1.8
161.02499	1.9
161.13376	7.1
167.03481	8.1
173.04488	3.4
179.03487	2.4
179.05656	3.4
187.07582	1.6
187.11279	23.7
191.05623	38.7
192.05928	8.2
193.06154	1.8
205.12340	10.3
213.09251	7.4
231.10226	6.5
244.75842	1.5
249.11285	8.4
285.04153	1.9
365.10233	10.2
379.13980	29.9
383.11261	10.0
391.15225	1.5
397.09485	1.9
411.16614	3.2
499.29083	3.5
521.33398	2.1
523.34515	2.2
559.19763	17.1
559.32428	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	559.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51268	0.6
57.03452	10.2
57.32765	0.5
59.01379	44.7
60.34308	0.5
63.02398	0.6
65.00322	17.8
67.01915	0.9
69.03471	0.6
71.01379	6.3
73.02917	0.7
73.50613	0.5
81.03443	5.0
83.01373	14.5
83.01843	0.8
85.02951	7.5
87.00898	1.5
88.98801	0.8
89.02441	2.8
93.03453	2.9
94.46376	0.6
95.01369	1.1
96.95993	3.2
99.00871	4.0
99.04547	0.7
101.02397	1.0
103.00371	0.8
107.01379	30.5
113.02432	12.7
117.01965	0.9
121.19518	0.7
123.04498	25.2
123.05396	0.9
124.01646	1.1
125.02421	65.0
133.02951	1.0
134.03677	1.2
135.04472	1.3
140.49030	0.7
141.01689	12.9
149.05971	0.8
151.00352	100.0
151.07622	1.4
158.03706	1.5
159.04482	4.5
161.02348	0.9
167.03470	46.8
169.01398	1.3
172.05257	6.3
173.06061	5.7
175.02504	4.9
175.03850	0.7
175.07576	0.8
179.03499	0.8
182.47488	0.7
187.03990	4.3
187.07620	75.9
188.08080	0.9
191.03558	0.8
191.05609	6.5
199.03972	2.4
200.04750	3.4
201.05557	11.3
202.06351	35.5
203.10863	0.7
204.04175	0.8
213.09099	4.6
215.07140	14.0
216.07849	1.5
227.03473	1.6
228.04355	1.3
229.08661	2.8
231.10262	19.1
253.08362	0.9
257.08109	4.5
297.11395	0.9
339.08801	11.6
339.12589	1.4
350.06345	0.7
365.10217	5.1
383.11349	82.7
384.11557	1.1
392.04352	0.7
425.12555	1.0
439.21848	1.2
447.48553	0.7
514.16431	0.7
523.34961	1.1
553.42841	0.7
559.14362	17.6
559.31952	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	559.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71766	1.0
56.77648	1.0
57.28828	0.9
59.01379	4.0
67.01910	1.1
69.03456	1.8
71.01345	1.4
74.90883	1.4
85.02954	5.4
85.15343	1.2
93.03480	4.7
96.96010	2.5
97.02914	2.0
107.05009	1.1
109.02950	41.6
113.02382	1.3
124.15545	1.2
133.02969	2.3
135.04512	100.0
143.05017	5.1
146.03728	1.5
147.04498	1.3
148.05286	6.6
149.06070	60.7
151.03996	2.0
159.04439	1.8
161.02414	7.0
161.06064	28.6
163.03912	1.1
163.07622	2.1
165.05510	2.1
165.29839	1.2
171.04477	7.8
173.04539	2.2
173.06013	1.5
174.03162	8.7
175.03947	1.9
177.05547	6.6
178.02806	1.1
179.03445	7.9
189.05566	55.6
190.87221	1.2
191.03712	2.1
191.05605	28.9
191.07187	3.1
203.07138	1.7
207.06638	44.4
219.06638	1.8
221.04483	8.7
231.06673	8.3
235.06050	7.3
237.04005	2.5
239.05627	5.3
249.07628	2.7
270.26584	1.2
311.07587	2.0
313.08887	1.4
323.68829	1.4
337.05655	5.9
339.10739	2.5
353.08557	4.6
411.12793	4.5
443.11829	5.5
455.12067	14.8
457.13547	1.5
481.09778	2.2
485.12921	5.5
515.14063	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23286	0.5
55.01870	0.7
56.23153	0.6
56.91187	0.6
57.03448	10.1
58.17434	0.6
59.01375	13.2
60.07030	0.6
60.99304	3.3
63.02396	1.5
64.61871	0.6
65.00316	14.7
71.01370	10.8
71.53466	0.7
73.02951	1.1
75.00851	2.4
78.15140	0.6
81.03441	3.4
83.01373	16.5
85.02940	12.1
86.95738	0.6
87.00877	3.8
88.98788	21.2
88.99303	1.2
89.02455	4.9
93.03435	2.8
95.01387	3.1
96.95988	14.6
97.02958	0.8
99.00859	3.6
100.50741	0.7
101.02438	3.8
103.53259	0.6
107.01376	29.1
111.00904	1.0
113.02431	13.5
117.01962	0.9
119.03472	0.8
123.04494	22.2
124.01630	0.7
125.02423	64.6
129.01926	1.1
135.04477	4.7
137.02403	1.0
146.03769	0.9
147.02974	1.4
151.00357	100.0
151.03886	1.4
151.07631	1.2
158.03734	1.6
159.04507	4.0
161.02466	1.2
165.01964	0.9
167.03481	45.6
169.01338	1.1
172.05215	5.5
173.04665	1.0
173.06049	4.4
175.02531	5.0
177.01859	1.1
179.03496	2.6
187.04092	4.8
187.07626	73.5
191.05626	11.8
199.03926	1.0
200.04712	2.8
201.05580	8.2
202.04553	1.4
202.06357	35.1
204.04340	1.0
205.12357	0.8
211.03932	0.8
213.09190	3.6
215.07156	17.3
216.07906	1.3
227.03465	1.6
228.04276	1.2
229.08647	2.4
231.10271	17.4
233.04710	0.7
257.08240	4.5
283.73618	0.9
285.03986	1.4
290.05026	0.8
297.11404	1.1
309.04050	1.2
321.11130	1.1
337.02621	1.4
339.08746	11.2
339.12253	1.8
361.18747	0.9
365.10284	4.6
383.11386	84.9
384.11777	0.9
492.22900	0.7
499.07867	6.4
523.21826	1.7
559.14417	21.9
559.22412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42508	1.7
52.36958	1.6
53.66051	1.8
54.04686	1.7
55.18127	1.8
57.76235	2.0
59.01374	65.3
60.99288	1.8
61.98824	100.0
61.99137	3.6
62.98510	1.8
63.13931	1.8
69.75760	1.8
71.01384	8.9
85.02961	3.7
87.00858	3.3
88.98810	5.1
89.02443	2.9
92.10805	4.6
93.03462	3.5
96.95989	67.3
116.92839	2.5
119.03477	2.5
141.01688	9.7
162.29921	2.2
183.76256	2.3
191.05609	10.6
215.17776	2.1
224.37395	2.2
228.47543	2.5
349.58688	2.6
508.79221	2.4
519.31879	26.5
521.32886	14.5
555.32385	2.4
557.30029	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81689	0.1
55.29927	0.1
59.01379	0.2
65.01024	0.1
71.01383	0.2
72.80988	0.1
79.95728	1.5
80.19756	0.1
85.02942	0.3
96.96002	100.0
107.94440	0.1
113.02458	0.2
121.02961	0.2
133.02902	0.6
151.00307	0.2
172.24936	0.1
191.05554	0.2
199.03987	0.2
285.04037	8.9
327.05176	0.2
347.09488	0.1
461.07278	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	559.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81453	0.6
59.01384	1.0
63.94915	0.6
71.01352	0.6
78.98331	0.6
83.01398	3.4
85.02968	1.6
87.00858	0.9
91.88230	0.7
93.03463	1.5
96.96011	2.6
99.00856	6.3
107.03876	0.7
109.02950	8.7
112.96156	0.6
115.00390	3.3
116.55864	0.7
121.06596	3.0
121.48860	0.8
133.02968	3.6
133.26546	0.6
135.04509	4.5
145.02956	1.8
146.03714	0.9
147.04509	4.1
148.05334	5.0
149.06070	100.0
150.03239	0.8
150.06505	0.7
161.02449	8.4
161.06026	1.2
163.04004	5.8
164.04782	1.5
165.05528	6.7
172.79340	0.7
174.03217	0.9
175.03967	18.1
175.07355	0.7
177.01936	11.0
187.04039	1.3
189.05598	2.8
191.03716	1.0
191.05576	13.9
192.05855	0.8
193.05049	13.3
203.03438	0.8
205.05049	1.6
206.02205	1.1
219.02982	30.8
229.01505	0.9
229.05171	1.1
231.06567	0.8
233.04507	10.4
237.04039	40.6
237.06454	1.4
255.05066	3.3
266.00623	0.8
275.05789	1.1
277.03583	3.8
293.06845	0.9
319.04724	4.8
337.05670	39.0
352.08093	1.4
353.58908	1.3
364.09189	0.8
381.08182	4.0
399.09396	5.2
401.81961	0.8
408.24548	0.8
439.08597	1.3
481.09909	5.3
499.11014	24.0
507.29428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10113	0.4
57.03461	0.6
59.01384	100.0
61.98834	1.7
69.03462	0.8
71.01370	2.6
71.04137	0.3
71.05029	0.4
73.02929	0.4
74.47909	0.3
85.02961	0.7
87.12131	0.4
89.02434	3.5
92.10880	0.9
93.03457	0.5
96.96020	0.8
98.98503	0.4
101.02438	1.9
101.86328	0.4
103.50957	0.4
113.02443	2.0
116.92793	0.5
119.03477	1.9
127.18010	0.5
136.96989	0.5
139.11253	2.4
179.05595	1.7
183.10260	17.6
183.11864	0.9
191.05569	0.9
193.05106	0.4
271.38004	0.5
307.17310	3.4
331.17654	1.7
335.22217	2.7
359.28088	0.5
415.27039	0.4
519.31946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3092
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
50.71431	2.0
50.79849	2.4
50.96373	2.1
54.16298	2.0
57.11661	2.1
59.01380	11.1
78.12929	2.4
85.83995	2.8
88.30761	2.1
88.31378	2.3
88.98805	4.1
97.69234	2.5
97.76014	2.5
225.67328	3.2
257.47760	3.1
368.37256	2.7
368.42419	2.8
407.84286	3.1
466.79721	3.2
521.33350	43.2
557.30762	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	557.311
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
51.11597	1.4
56.68772	1.4
59.01380	21.1
60.99324	1.9
63.03372	1.5
64.14341	1.6
68.26044	1.6
71.01373	2.9
75.00834	1.9
85.02946	6.4
87.00819	1.5
88.98804	18.2
89.02415	2.8
93.03419	3.0
95.05010	1.8
96.95976	1.9
101.02440	2.4
111.57285	1.6
116.92829	3.2
121.02882	2.0
122.03738	2.0
135.04521	2.7
137.02448	3.0
141.01662	6.0
149.02415	9.2
150.03206	12.3
151.03601	3.1
152.01225	2.2
165.05511	10.3
179.03432	1.9
191.05667	11.7
284.27844	1.7
509.20786	12.1
521.33142	16.1
557.31006	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	557.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76347	0.7
59.01381	100.0
61.98843	1.4
70.33632	0.7
71.01379	4.0
71.05016	2.0
73.02915	1.0
79.91778	0.8
85.02943	1.5
89.02394	1.0
101.02436	1.6
113.02443	1.4
116.54635	0.9
129.82494	0.8
139.11336	1.0
183.10272	8.4
191.05576	1.3
331.17545	3.9
398.74301	0.9
441.33810	3.8
485.32651	17.5
519.33215	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	557.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81763	1.0
57.03447	1.0
59.01379	100.0
61.98839	1.9
71.01379	5.3
71.05030	1.3
72.99287	1.2
73.02943	1.6
85.02922	3.6
87.04494	11.8
89.02470	2.1
90.98846	0.9
92.10908	2.8
99.04493	9.6
113.02428	2.3
161.04620	1.4
176.41417	1.1
183.10168	4.9
191.05585	2.4
203.18129	1.7
247.68625	1.1
267.80133	1.1
335.22311	62.8
336.22693	1.4
406.09958	1.1
442.36804	1.1
485.32721	1.9
514.93134	1.2
519.33514	14.0
521.33966	2.6
557.27240	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	557.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81701	0.5
55.25182	0.4
57.03438	1.1
59.01376	100.0
61.98827	2.4
69.03451	1.1
71.01373	3.2
71.05058	0.5
73.02921	0.7
80.60511	0.4
82.65892	0.4
85.02940	0.8
89.02446	3.7
92.10831	1.2
93.03382	0.4
96.95975	0.8
99.04465	1.1
101.02392	1.6
113.02428	1.1
116.92812	0.6
119.03473	1.8
129.62061	0.5
139.11275	3.0
146.24870	0.4
161.04532	0.6
179.05675	0.7
183.10240	15.5
191.05624	1.0
193.05038	3.5
307.17285	3.1
331.17599	1.0
335.22348	4.9
372.85126	0.5
519.32001	0.9
557.29706	0.6
558.28650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81884	5.7
59.01374	42.3
63.52455	4.8
66.68452	5.4
71.01386	12.0
71.53580	5.4
74.75483	4.9
85.02946	10.5
88.98801	40.3
93.03446	9.9
135.04497	11.3
142.29066	5.4
150.03221	5.7
153.34076	6.2
164.92914	6.3
189.63969	7.0
191.05588	85.7
270.32904	6.0
329.13934	8.6
491.19229	91.0
503.19247	100.0
521.20313	39.2
532.26239	6.1
557.17578	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	557.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.5
61.98829	3.0
71.01379	1.3
73.02934	0.8
76.82793	0.6
77.05416	0.7
77.85445	0.8
85.02947	1.0
85.06561	0.8
87.04523	1.2
88.19582	0.7
93.03466	1.0
96.95989	1.8
106.39454	0.7
107.05013	30.9
113.84055	0.7
116.92831	3.0
117.44196	0.6
121.02929	12.3
122.03719	24.2
124.01662	1.0
125.02404	1.6
137.02408	3.3
154.02681	5.5
191.05542	3.1
198.47282	0.8
229.08690	100.0
230.09015	1.3
335.22281	4.9
441.61084	0.8
444.31107	0.7
519.32654	1.3
557.23596	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	557.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57317	0.3
65.31851	0.3
71.01366	0.4
74.56973	0.4
78.95887	73.3
85.02940	0.5
85.96777	0.4
87.00863	0.9
91.58318	0.4
93.03426	0.5
96.95956	3.5
96.96940	100.0
97.02912	0.5
100.50972	0.3
135.04483	0.6
135.76816	0.3
149.24232	0.3
161.02467	0.4
166.97527	2.2
173.04521	0.4
184.98541	68.8
191.05586	12.3
347.05112	0.4
353.09128	0.5
371.09882	3.4
519.10138	0.4
551.49469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01374	10.6
60.99306	9.9
61.98833	2.0
64.98785	0.3
67.01880	2.5
69.03437	0.5
71.01380	4.0
73.02941	0.8
74.17661	0.4
75.00884	0.6
81.03452	0.5
83.05028	0.7
85.02940	12.1
85.03416	0.6
87.00858	5.6
88.00327	0.3
88.98790	49.1
89.02411	1.4
92.26359	0.4
93.03436	14.0
95.05013	0.5
96.95995	0.7
99.00837	0.3
99.04530	0.7
101.02438	0.7
105.03439	2.9
107.05005	0.6
107.86845	0.4
109.02958	4.3
111.00843	0.4
111.04533	3.0
113.02407	0.7
116.92868	2.7
117.03460	0.7
121.02923	2.3
122.03723	0.7
123.00919	0.5
123.04473	0.8
125.02450	0.7
127.03978	2.7
132.02167	4.4
133.02936	19.1
134.03690	0.6
135.04501	16.9
137.02435	0.7
141.01703	2.6
146.03729	0.4
147.04517	0.4
147.08083	0.4
149.02420	6.9
150.03207	5.5
151.03906	2.0
152.01137	0.5
153.01895	0.6
155.03464	0.7
160.01643	10.2
161.02438	9.1
163.07600	0.5
164.04742	0.6
165.05505	4.0
166.06306	3.9
167.07039	0.5
168.00703	0.4
171.03096	0.5
173.04510	5.7
173.05888	0.5
174.01767	0.4
174.03209	0.4
175.04022	1.6
175.07590	0.6
176.04782	7.4
177.01898	4.5
179.03485	5.9
181.08693	2.0
185.71819	0.5
190.35056	0.3
191.05605	100.0
192.05998	1.2
195.06526	1.4
196.06995	0.4
203.07138	3.8
205.08673	5.2
215.05600	3.7
283.38940	0.5
307.08215	0.5
313.10846	0.6
351.07288	4.0
353.08612	1.5
365.10217	5.6
383.11377	1.9
494.19485	0.5
509.21710	3.6
519.32263	0.9
521.33459	3.2
557.16730	26.3
557.30463	14.1
568.13788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	37.3
62.37334	16.1
80.91625	18.9
80.96508	18.6
89.50639	17.3
92.10785	40.6
96.26675	18.3
124.30244	18.7
132.51689	19.6
188.96353	18.6
202.80942	28.8
263.27045	20.4
472.35403	22.5
538.10236	21.0
555.31897	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	555.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.3
60.21766	1.3
61.98830	8.1
66.01407	1.3
71.05017	2.8
71.78027	1.6
113.71521	1.4
161.88066	1.2
191.05547	2.6
244.28755	1.5
256.25922	1.5
324.76614	1.6
338.07501	1.4
344.53204	1.4
351.07736	1.4
409.34302	2.2
411.32678	2.1
413.34259	9.3
473.36441	100.0
474.36621	2.1
487.34146	2.7
555.36884	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	100.0
62.94720	0.8
66.32853	0.9
78.95884	6.9
81.12143	0.7
81.75934	0.8
84.00894	7.8
95.31177	0.9
168.04303	1.0
224.06931	4.0
279.20380	1.8
279.23273	32.1
280.23596	2.0
281.23883	1.6
381.08914	0.9
466.98218	1.0
471.34714	24.2
472.34927	1.5
504.30988	15.2
506.31311	1.7
556.32520	92.1
557.32977	3.9
568.99695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.31
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
60.44595	1.3
60.99307	9.9
61.98832	12.6
62.76851	1.3
63.96546	1.5
67.20595	1.4
71.05030	7.2
85.02934	3.1
85.06577	1.6
85.54680	1.4
89.02482	1.6
93.03453	3.6
101.06011	1.7
115.53072	1.5
174.10406	1.6
174.67259	1.6
182.61504	1.5
191.05618	16.2
192.06010	2.0
215.81972	1.6
285.56702	1.8
333.20630	3.6
335.42551	1.6
339.23193	2.6
355.26193	1.6
389.23450	2.2
397.31082	7.1
409.31152	23.5
411.29105	3.2
427.32205	20.7
457.33295	40.9
489.32199	29.0
501.32376	10.9
519.33289	100.0
520.33594	2.2
554.75586	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	555.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04967	0.6
57.03455	1.0
59.01372	20.4
60.99284	0.7
61.98825	4.8
71.01377	3.7
73.02950	1.1
85.02949	1.2
87.00868	0.8
87.04501	5.6
89.02442	1.6
92.10194	1.7
93.03443	3.0
96.95992	1.2
101.02422	1.8
109.06556	1.8
111.04529	0.9
113.02418	1.5
116.92804	1.6
123.04485	0.9
135.04477	1.4
160.94157	0.7
182.06837	0.8
191.05588	4.9
207.56657	0.8
321.92529	0.8
381.19171	7.3
389.26917	30.9
421.31375	5.6
427.32275	1.3
429.24777	1.2
429.29996	1.8
453.30005	1.4
467.28421	1.2
489.32266	53.8
517.31812	3.4
519.33240	100.0
520.33496	3.1
555.29742	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
62.48808	1.6
62.59182	1.3
71.01366	8.1
73.02993	2.3
78.98574	3.7
79.95723	9.7
80.96500	72.9
83.59957	1.4
85.02951	3.5
87.00854	2.2
94.98069	17.0
106.95717	1.7
106.98051	2.4
134.97536	3.7
136.99161	1.9
148.99097	8.9
152.98598	6.8
164.98592	15.3
206.99605	2.5
211.19229	1.9
225.00734	12.5
255.23201	2.1
299.04340	2.1
419.62399	2.0
555.28400	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
56.13918	1.5
67.73042	1.7
71.01350	3.3
78.98579	9.0
79.95731	8.2
80.96502	74.6
85.02933	3.5
87.00857	3.2
87.23465	1.5
93.03445	2.0
94.98038	19.3
97.22704	1.5
101.02451	2.8
106.98100	3.0
122.97628	1.7
125.02428	2.9
126.92957	1.5
128.51489	1.6
134.97527	2.9
148.99136	3.9
152.98622	6.3
164.98628	14.7
202.88943	1.5
210.26768	1.7
225.00716	18.4
255.23381	2.3
299.04306	2.3
460.11197	2.1
495.60623	2.3
555.28473	100.0
555.36005	3.5
556.28497	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	555.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45020	0.9
52.60071	0.9
55.07330	0.9
55.89867	0.9
59.01383	7.3
60.46656	0.9
61.98837	7.4
67.72413	0.9
71.01365	1.4
71.05002	1.6
73.02931	1.4
93.03423	2.5
106.24084	1.0
123.75895	1.0
125.06748	1.4
129.66927	1.1
191.05600	5.3
199.03931	1.5
267.54037	1.2
281.68442	1.2
293.19043	1.4
311.51691	1.3
339.63870	1.4
434.92889	1.2
456.18872	1.3
473.32809	5.3
475.34369	1.5
501.32196	1.6
517.31458	1.5
519.33258	100.0
555.31958	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	555.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27087	2.1
60.18789	2.0
63.82583	2.2
67.03972	3.1
75.49062	2.5
99.92567	33.7
100.93349	6.3
115.91250	3.3
115.92055	80.7
117.21992	2.6
122.96919	2.8
140.38844	2.5
170.22742	2.4
171.24338	2.9
239.85721	2.8
245.46832	2.5
276.00217	2.7
455.35217	4.8
456.35382	4.7
457.35831	14.4
548.12067	3.0
555.27881	100.0
556.28156	3.3
569.25909	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	555.2779
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
55.21537	0.7
59.40450	0.7
61.98819	0.8
64.65118	0.9
79.67620	0.8
92.10871	2.1
99.91924	1.3
99.92570	34.7
100.93329	8.1
101.55173	0.9
103.43594	0.8
105.71317	0.8
106.13311	0.9
115.92059	100.0
116.92853	4.0
132.52274	0.8
137.43680	0.8
139.87701	0.8
142.58067	0.9
175.81993	0.9
194.24411	0.8
237.31445	0.9
277.21677	22.4
455.35638	1.4
457.35828	1.1
518.58270	0.9
537.26996	1.1
555.27832	68.4
556.28113	3.5
569.25775	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	555.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56146	0.4
59.01385	1.2
60.17232	0.4
65.08526	0.4
65.22424	0.5
65.70352	0.4
81.01361	0.5
88.98776	0.6
92.10115	1.0
93.03437	3.8
105.03450	0.5
108.02152	3.2
109.02950	13.7
115.88261	0.5
121.02953	4.9
122.03728	9.8
123.00859	0.8
123.04511	7.0
124.01617	0.6
125.02380	0.7
132.02184	2.8
133.02940	10.3
134.03717	1.2
135.04514	6.3
136.01671	0.9
137.02354	0.9
146.03641	0.5
147.04524	3.2
149.02426	29.1
149.03622	1.0
149.06064	1.1
150.03209	100.0
151.03990	8.2
159.04506	4.5
163.03951	0.7
164.04799	7.5
165.05547	50.7
173.06042	4.9
177.05658	0.6
180.04243	4.5
181.05055	3.1
189.05478	2.7
191.05560	3.5
191.07196	2.3
195.06609	15.8
203.07172	1.1
209.11859	2.0
218.01234	0.5
219.06674	0.5
240.04253	2.0
241.05084	9.5
255.06555	4.4
265.04953	1.1
266.05862	0.6
267.06732	4.9
268.07349	0.8
269.08176	3.0
280.07367	0.6
281.08173	2.3
283.09991	0.6
296.06937	0.8
297.07599	4.5
298.08395	1.8
299.09219	7.1
311.09109	0.9
312.09732	0.7
313.10855	7.4
327.12482	1.2
329.10309	2.8
330.11276	0.8
343.11887	1.9
344.12643	15.7
345.13388	2.1
358.14368	0.8
359.15027	25.5
401.16113	0.7
431.14859	1.2
443.14713	2.0
447.14532	2.9
461.16113	11.1
464.18365	0.7
477.09537	0.6
477.15079	4.2
492.17587	0.6
507.20233	85.6
508.20480	2.7
555.22229	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	555.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
62.85441	0.8
67.01875	0.8
71.01389	0.9
71.67087	0.6
85.02943	1.8
87.00845	1.5
87.83452	0.8
92.10808	2.9
93.03437	10.3
95.01366	1.0
95.05000	1.2
96.95998	1.2
108.02156	0.9
109.02946	4.5
116.92821	1.1
121.02924	19.4
122.03726	13.2
123.04491	3.1
132.02112	1.1
133.02943	4.5
134.03749	1.5
135.04515	8.7
136.01639	1.0
147.04480	3.0
148.05301	1.1
149.02420	75.7
149.06052	3.0
150.03210	100.0
151.03877	0.9
159.04507	1.5
160.05229	6.3
161.06013	5.4
163.04065	5.8
164.04781	14.2
165.05542	71.1
166.06105	0.8
175.04001	1.7
175.07582	5.1
177.05560	3.2
178.06305	1.1
179.03488	1.6
179.07080	2.8
180.04309	5.3
181.04970	1.2
191.05586	9.9
192.05914	0.9
195.06602	24.0
203.10757	7.8
210.07103	4.5
224.06854	19.0
224.57108	3.5
237.09116	1.0
241.08696	1.1
247.09705	7.1
265.08884	0.9
266.06113	1.0
267.06735	1.0
269.08197	4.2
269.11725	1.4
275.09229	3.2
283.09622	1.5
295.05988	1.2
297.11304	11.3
298.12112	0.9
299.09189	1.6
311.09210	4.5
311.12836	2.6
313.10751	1.2
314.11633	4.6
315.12231	6.2
323.12979	1.2
325.10834	1.4
326.11490	3.2
329.13962	18.4
341.13950	5.0
358.53717	0.9
417.13593	0.9
431.14960	4.0
433.16440	4.0
461.15820	1.0
462.16876	4.1
477.19217	14.3
492.17831	3.1
507.20203	86.7
508.20395	3.8
555.22296	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	555.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47194	0.8
53.58924	1.0
55.01866	0.8
55.48209	0.9
59.01370	7.5
68.99835	1.0
71.01386	4.6
79.63525	0.9
81.03461	4.3
85.02947	2.2
89.02435	1.1
93.03434	14.6
95.01328	1.6
96.95998	48.9
96.96959	1.5
101.02448	2.5
103.05554	1.1
105.03458	1.7
105.07913	1.0
108.02164	5.3
109.02953	4.2
113.02415	2.2
119.04987	1.2
121.02940	11.9
122.03724	13.8
123.00875	1.3
123.04498	18.0
124.01672	1.3
132.02206	2.0
133.02922	11.9
134.03754	7.1
135.04489	5.3
136.01662	1.2
137.02435	20.2
146.03712	1.4
147.04498	24.7
148.05260	1.8
149.02428	40.2
149.06091	6.9
150.03209	85.1
151.04016	2.4
152.01155	4.5
158.03708	5.8
159.04451	9.3
160.05275	17.9
161.02390	1.3
161.06065	10.2
162.06866	1.1
163.03987	6.0
164.04788	13.7
165.05547	57.1
173.06039	10.0
175.03970	5.8
175.07626	19.5
176.04764	6.9
177.01898	1.8
177.05559	12.1
178.06328	6.1
180.04305	4.2
191.05629	10.1
192.07880	1.8
193.05026	1.1
195.06633	14.4
201.15483	1.0
229.08627	8.6
248.85864	0.9
255.06619	10.0
270.08939	1.7
273.07608	4.8
281.06653	2.3
285.11328	4.2
292.83533	1.1
315.12439	2.3
329.13956	29.2
387.56946	1.1
432.16025	1.9
447.18207	6.5
459.17938	1.8
477.19177	100.0
478.19748	1.7
489.19626	1.6
507.20392	2.2
525.21271	14.2
555.15070	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	555.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32181	0.5
60.93284	0.5
71.01363	0.6
82.10382	0.6
92.10152	1.2
93.03443	3.0
101.02484	0.6
108.02172	3.4
109.02942	13.5
121.02914	5.6
122.03712	11.1
123.04527	6.4
132.02187	1.0
133.02913	8.0
134.03706	1.0
135.04507	5.3
136.01654	0.6
137.02545	0.7
147.04477	2.4
149.02425	27.5
149.06068	1.4
150.03214	100.0
151.04015	7.0
158.03654	1.0
159.04536	4.2
163.03984	0.7
164.04776	7.8
165.05554	50.0
166.05859	0.7
173.06067	5.1
179.54915	0.6
180.04251	4.0
181.05077	3.3
181.28192	0.6
189.05609	2.9
191.05606	1.3
191.07153	1.3
195.06604	14.9
203.07144	2.4
209.11771	2.2
240.04317	2.2
241.05046	8.4
251.07111	0.7
255.06645	4.0
267.06534	3.7
269.08200	2.5
279.06537	0.8
280.07581	1.1
281.08133	2.6
295.09540	1.3
297.07721	6.2
298.08444	0.9
299.09210	6.5
311.09235	0.7
313.10977	7.3
327.12329	1.0
328.09451	0.7
329.10199	3.7
335.42117	0.6
343.11917	2.4
344.12634	17.1
345.13467	2.7
358.14206	1.4
359.15021	24.2
401.15768	0.9
431.15219	0.8
443.15121	3.3
447.14490	2.9
461.16086	8.9
477.15530	3.6
492.17740	1.1
507.20212	91.8
508.20499	2.6
555.22211	10.0
575.90283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
63.79653	0.5
71.01385	1.0
73.92558	0.6
85.02979	0.7
88.98796	1.0
93.03429	1.2
94.88645	0.6
96.95986	3.9
97.02959	0.7
101.02371	1.0
107.05051	0.6
109.02929	1.2
125.02408	0.9
134.03702	7.0
137.02406	20.3
146.03732	18.1
149.06094	6.3
150.03210	3.9
151.03999	7.2
152.04724	0.8
153.05542	1.0
161.02460	0.8
161.06071	6.6
162.03201	7.0
164.04761	11.2
165.05597	4.8
177.05574	6.8
179.05542	1.3
179.07120	39.0
180.04277	0.7
181.05019	12.4
182.05835	100.0
183.06111	0.9
188.48587	0.6
191.05612	5.7
195.06621	12.0
196.07396	2.8
197.08183	51.7
240.23056	0.8
247.06520	5.9
251.09239	5.9
332.85028	0.7
345.13498	2.5
361.45746	0.7
393.15582	9.8
555.21454	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	555.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92150	0.2
51.96084	0.2
54.74114	0.2
59.01378	1.8
61.98817	0.4
70.53588	0.2
71.01385	0.3
71.84839	0.2
73.02930	1.5
85.02941	0.4
87.00854	0.3
92.31211	0.2
93.03461	0.3
99.00878	1.4
99.92567	9.2
99.93204	0.4
101.02413	0.2
116.92841	100.0
116.97173	1.4
117.01917	1.8
117.92837	1.0
127.97319	0.2
135.04459	0.3
191.05573	1.2
272.70581	0.2
333.20416	0.3
344.44177	0.2
359.24561	0.2
407.29416	0.3
455.31598	0.4
517.31567	0.3
519.32837	0.4
555.26630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	43.9
60.99302	6.7
65.00284	1.6
67.01905	1.5
70.41691	1.3
71.01372	20.3
71.65533	1.3
72.99285	1.5
73.02930	1.3
83.01370	6.5
83.11418	1.3
85.02940	13.7
85.78136	1.2
87.00846	2.7
88.98795	40.7
89.02417	18.6
93.03439	12.8
96.96015	6.4
101.02414	12.4
107.01374	3.0
108.02139	6.2
109.02921	5.9
111.04456	2.1
111.26738	1.5
113.02431	8.6
116.92822	1.6
117.49150	1.5
119.03474	3.5
119.04991	9.2
120.99623	6.1
121.02939	25.0
123.04477	1.5
125.02432	15.7
133.02937	16.4
134.03719	25.3
135.04510	11.7
137.02425	14.4
145.02951	2.9
146.03728	67.7
146.04869	2.2
149.02444	3.0
149.06053	23.2
150.03207	13.0
151.00368	16.9
151.03978	5.7
152.01155	10.7
157.28455	1.7
161.02341	5.8
161.06041	25.8
162.03162	12.3
163.04021	5.1
164.04767	43.9
165.05515	11.5
169.01204	1.4
173.04530	3.4
174.03178	1.9
175.04083	2.0
177.01880	7.2
177.05547	6.0
179.03552	1.9
179.05791	4.1
179.07120	100.0
181.05063	16.1
182.05840	75.7
187.03989	1.6
191.05591	46.4
192.05954	3.4
193.01395	2.8
195.06624	27.3
196.07312	7.0
197.08195	33.4
207.06465	2.0
209.04567	9.8
231.01564	1.5
271.06088	28.3
285.04102	2.9
303.04977	2.2
322.09534	1.6
339.04962	1.7
345.13284	2.3
352.07886	3.0
352.57971	2.9
353.08246	1.4
357.13528	2.2
375.14352	6.5
380.86838	1.5
433.11420	8.6
435.12747	1.7
465.10190	8.7
495.24524	13.3
555.21057	1.5
583.66412	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87463	0.6
61.28495	0.6
61.98834	4.3
78.95905	4.4
92.63575	0.8
115.43304	0.7
168.04268	1.6
175.92444	0.6
191.05609	1.4
223.74089	0.8
242.07901	2.9
279.23264	100.0
280.23621	1.1
374.52219	0.7
390.04291	0.8
471.34589	0.8
471.45950	0.7
472.35208	1.3
504.30872	27.2
505.30823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17875	0.1
54.82261	0.1
59.01375	19.4
60.87929	0.2
61.98826	1.8
78.95888	18.4
92.10126	0.4
96.96946	0.2
134.48729	0.2
141.30429	0.2
141.47372	0.2
152.99574	2.8
168.04301	3.0
224.06935	6.8
242.07858	1.4
255.23286	100.0
256.23639	1.5
480.30942	50.3
481.31107	0.9
544.11414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51860	0.1
59.01373	0.9
60.99298	0.2
61.32426	0.1
61.98820	0.3
62.74544	0.1
63.12270	0.1
71.01384	0.3
78.95897	5.1
79.95717	1.8
82.95405	2.1
85.02919	0.3
87.00871	0.3
88.98779	1.4
92.10053	0.2
93.03465	0.2
93.79745	0.2
96.95993	100.0
96.96887	6.7
100.51944	0.2
106.27306	0.2
109.02926	0.2
116.92902	0.1
118.41409	0.2
125.02425	0.4
134.03732	0.2
135.04506	0.8
151.00342	0.2
168.00667	0.3
175.82324	0.2
179.03494	0.7
191.05533	1.3
285.03922	0.2
475.66605	0.2
555.25793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
59.47555	1.2
61.98823	24.9
64.05981	1.2
67.33855	1.2
91.24516	1.2
97.06574	7.9
104.39400	1.2
136.98538	1.5
146.42540	1.4
171.42775	1.3
191.05537	2.6
191.10010	1.5
225.06645	1.3
316.10562	1.3
391.29990	8.0
405.31662	7.9
407.33133	15.0
423.29031	1.4
441.33710	2.4
451.32220	17.4
453.33780	74.7
457.32925	2.1
471.34747	85.7
472.35208	2.2
485.32245	2.0
553.35120	100.0
554.35266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77872	0.5
59.01381	0.9
61.98829	2.5
69.72398	0.5
69.72841	0.4
74.09318	0.6
79.01351	0.5
82.20696	0.5
114.93328	0.5
118.51100	0.6
118.85566	0.5
123.57145	0.5
172.43900	0.5
191.05612	0.8
263.05899	0.5
265.79639	0.5
323.39774	0.5
374.12277	0.5
471.34775	100.0
472.34973	2.7
511.95135	0.6
553.35071	50.8
554.35767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3512
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01387	1.0
61.85420	0.5
61.98837	1.5
80.91685	1.2
102.87570	0.6
115.92070	5.0
146.73830	0.6
282.36685	0.6
289.79099	0.6
300.34268	0.5
315.76862	0.6
439.32480	0.7
457.33105	6.3
471.34778	100.0
472.34921	2.8
553.35089	54.1
554.35168	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22286	0.4
59.01380	0.7
61.57487	0.4
66.13850	0.4
71.01377	2.4
78.95897	3.1
85.02943	2.7
87.00869	2.3
91.78783	0.4
92.05059	2.7
93.03445	4.1
94.02971	0.6
96.96010	4.7
96.96932	3.3
108.04544	40.1
110.06131	0.7
111.04503	0.8
111.06493	0.4
117.92946	0.4
120.04533	4.1
122.02470	0.5
123.03214	0.7
127.04018	0.5
135.04518	2.4
137.02477	0.6
137.18031	0.4
138.05594	100.0
139.05957	0.6
144.04533	2.2
147.02985	0.9
161.02432	2.2
173.04544	0.9
182.04584	69.2
184.98540	1.6
191.05602	56.6
195.12277	0.4
218.97119	0.4
335.49640	0.5
353.08865	3.6
371.09811	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	553.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	75.1
60.18322	4.8
61.98826	40.0
66.36516	4.5
67.00639	4.6
85.02954	8.6
96.96051	7.4
139.96489	4.6
166.19348	4.9
185.11862	5.1
189.01909	7.3
191.05591	43.9
217.01436	8.9
258.26794	5.1
283.13339	6.0
290.06924	5.7
517.31757	11.3
544.10028	6.3
553.29523	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	553.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31606	2.3
60.36270	2.1
61.98834	17.0
62.89899	2.4
70.56300	2.2
71.05013	2.6
83.76808	2.9
92.10150	6.6
103.08255	2.9
118.05471	2.5
127.15570	2.7
133.61769	2.6
191.05524	3.9
207.82230	2.4
266.97214	2.2
281.75323	3.1
370.46976	2.9
393.31595	3.6
407.33560	3.2
434.44131	2.8
437.30713	4.2
441.34201	4.0
453.33667	14.7
467.31573	24.2
471.34814	27.1
485.32733	84.8
553.31140	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	553.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56929	0.4
54.55416	0.4
59.01373	0.4
61.98822	0.8
71.65868	0.4
73.90322	0.5
78.95878	2.9
92.10075	1.1
116.92815	2.1
122.43784	0.5
155.56184	0.5
176.83963	0.5
191.05472	0.6
211.08507	0.6
224.07076	0.6
242.07901	0.5
248.63585	0.5
250.13678	0.5
279.20468	0.8
279.23279	13.1
297.58105	0.7
407.32523	0.7
411.32584	0.7
453.33588	6.8
471.34793	100.0
472.35202	5.2
504.31033	6.4
553.35132	72.2
554.35352	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	553.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81681	0.4
57.72626	0.3
59.60502	0.3
61.98841	0.9
69.56246	0.4
72.42731	0.4
83.91167	0.4
124.88560	0.4
167.34688	0.4
169.01016	0.4
229.91283	0.5
230.53387	0.5
284.24835	0.6
302.87988	0.5
393.31503	0.9
423.32751	1.5
434.32312	0.5
471.34799	100.0
472.35086	2.6
553.35101	55.2
554.35443	0.6
556.86249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64128	1.6
57.01948	1.6
59.01383	12.1
61.98820	23.7
71.01402	2.9
83.05035	8.6
85.02956	9.2
87.00849	2.4
92.10904	5.0
92.56657	2.0
93.86244	2.2
101.02388	2.3
111.04512	2.1
127.03993	2.6
127.04967	2.1
128.23662	2.1
154.93231	2.1
155.08202	2.3
165.06639	2.4
173.04553	3.0
191.05618	33.9
227.06714	8.2
234.04764	2.1
248.45956	2.1
283.13083	3.0
415.16122	2.3
421.30820	2.2
426.97891	2.2
437.30539	2.5
455.31705	2.6
467.31934	15.9
483.30991	4.0
485.32758	24.6
517.31586	18.9
553.30920	100.0
553.76501	4.7
556.18018	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	553.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85859	3.2
54.81677	3.1
59.01390	36.0
61.98842	23.6
68.59766	3.4
70.77860	3.5
74.52238	2.9
85.02938	4.8
92.10851	6.9
93.03436	4.8
183.07593	4.1
191.05653	28.8
211.19945	3.9
217.01471	4.7
227.06767	3.5
377.28329	26.4
395.29660	7.7
517.31744	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	553.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37678	4.5
59.01368	50.6
61.66208	4.7
61.98830	43.2
71.01392	26.4
85.02948	11.1
88.98740	5.0
89.02451	32.7
91.03329	5.2
93.03441	6.6
96.95993	9.4
101.02409	6.3
109.02966	6.0
110.14417	5.2
111.15452	5.0
113.02448	7.1
118.43245	6.1
119.03513	6.2
119.05006	89.4
125.02469	5.8
135.00851	12.9
135.04478	12.3
153.01991	8.4
158.54829	5.3
163.04013	30.3
179.05617	31.9
191.05602	69.9
229.16222	5.4
318.92307	6.0
331.25018	66.7
339.07098	6.5
380.72501	6.1
483.67029	7.4
553.27844	100.0
553.71405	6.4
558.08191	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	553.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60415	1.6
55.14375	2.1
59.01371	17.0
60.85622	1.8
61.98826	2.4
63.96231	3.6
71.01369	12.7
76.94257	2.3
78.98593	10.0
85.02953	5.8
87.00883	2.5
88.76823	2.0
89.02415	4.2
89.15440	2.5
93.03458	5.8
96.95964	5.5
109.02934	4.3
121.02936	3.2
135.04498	4.6
149.02380	5.2
150.03206	5.8
165.05478	4.2
167.60997	2.4
173.04437	2.4
175.03999	13.4
183.13882	3.9
191.05630	24.1
226.53169	2.7
281.08261	5.0
323.89490	2.5
355.24780	18.6
386.22406	2.6
391.12143	2.9
505.18878	3.6
517.30182	88.7
553.20398	7.0
553.27795	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	553.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
58.00594	1.4
59.01379	54.1
61.98842	0.8
69.03455	0.9
71.00980	1.1
71.01373	33.6
71.01749	1.7
72.99279	1.0
73.02938	12.1
83.01373	3.6
83.05016	0.8
84.95107	4.3
85.02934	14.6
87.00880	3.5
88.98814	4.3
89.02428	50.6
91.07246	0.9
93.03432	2.1
95.01345	1.2
96.95964	6.3
101.02418	26.4
101.06064	1.1
113.02435	13.2
115.04005	2.0
115.67239	0.9
116.92843	1.4
119.03464	16.5
131.03494	1.8
135.04503	1.6
143.03523	1.3
161.02399	1.0
161.04514	1.4
163.06070	4.7
165.12817	16.0
167.14319	1.1
175.04001	1.0
179.03322	1.2
179.05644	5.1
181.05559	1.1
181.07149	33.2
183.13876	46.2
191.05606	18.1
197.15442	10.4
207.13872	2.1
209.11690	1.5
225.15045	1.4
227.12892	14.5
251.12874	2.0
269.13699	1.1
343.12473	29.9
358.89597	0.9
553.25067	100.0
554.25427	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	553.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03448	3.7
59.01376	60.0
71.01371	36.1
72.99308	1.4
73.02940	7.5
73.96478	0.6
76.97530	0.7
83.01386	3.2
84.95126	1.2
85.02945	13.4
87.00880	4.1
89.02428	42.8
92.10157	1.3
93.03443	6.3
95.01372	1.6
96.95975	4.7
97.02932	0.8
99.00871	1.6
99.04550	0.8
101.02431	32.5
101.44007	0.6
109.02977	1.1
111.04499	0.8
111.08139	1.2
113.02441	15.4
119.03487	17.1
125.02415	0.8
131.03477	2.5
133.02930	0.7
135.04468	4.7
137.02428	3.2
143.03497	2.9
160.01633	0.7
161.02406	1.0
161.04582	3.6
163.06143	4.6
165.12848	11.8
173.04646	0.7
177.01945	1.0
179.05539	3.0
181.07172	24.0
183.13889	37.7
191.05612	18.5
192.06021	0.9
197.15440	9.5
207.13861	1.0
209.11790	1.2
225.14980	1.2
227.12851	11.0
251.12856	1.6
251.60683	0.7
297.04266	0.8
325.11349	0.7
325.79974	0.7
343.12479	34.5
416.58380	0.7
451.22079	1.5
493.23163	3.4
553.25110	100.0
553.71356	3.3
554.25696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02324	0.5
57.03444	3.8
59.01377	7.6
60.99306	4.8
61.98828	0.9
62.75381	0.4
67.01888	16.3
69.03441	4.1
71.01373	6.6
73.02962	1.0
80.88360	0.5
81.03448	3.5
83.05028	2.4
85.02947	3.1
87.00861	20.1
89.02440	2.9
93.03440	100.0
94.03798	0.7
96.95978	0.8
99.00863	4.1
99.04510	2.2
101.02431	1.2
105.67796	0.6
109.02945	4.5
111.04511	14.6
113.02432	2.8
113.30956	0.7
115.04035	0.6
117.03433	0.7
119.03444	0.6
123.69771	0.6
125.02459	0.9
129.01907	2.7
134.03738	3.8
135.04500	21.7
137.02399	2.4
137.35797	0.6
137.99591	0.5
139.00343	0.6
142.72920	0.6
143.03464	0.6
149.06049	0.8
152.01161	0.6
153.01918	4.2
155.03497	3.3
160.01611	1.1
161.02353	0.9
165.12726	0.7
173.04532	45.6
175.03984	1.3
179.03537	1.0
183.13898	2.7
191.05629	12.7
200.04716	0.6
211.04079	0.7
227.12860	0.9
265.32071	0.6
343.12372	0.9
353.08716	1.0
361.22440	0.8
379.10208	4.1
553.15637	48.5
553.23804	2.3
554.15234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75323	0.7
55.01878	6.8
57.03453	4.6
58.00589	1.3
59.01083	2.0
59.01376	41.8
71.01370	35.3
71.01745	1.6
71.20178	0.7
72.99311	1.6
73.02936	16.8
75.00867	0.8
75.66246	0.8
79.48130	0.9
83.01384	16.4
85.02949	26.4
86.00098	4.3
87.00883	4.6
88.98798	8.0
89.02446	9.9
90.60707	1.0
93.03446	3.6
95.01376	3.6
99.00843	7.0
101.02427	41.6
111.00880	2.1
113.02445	12.4
119.03468	3.3
120.99648	14.7
121.02902	10.3
125.02389	1.2
135.04501	4.9
149.06029	1.0
159.02954	1.4
161.02437	1.1
161.04529	2.1
165.05620	1.0
166.06340	89.9
166.95178	0.8
167.07161	8.6
179.03496	7.0
181.08698	84.1
191.05550	6.8
194.05843	4.1
209.08235	8.6
251.09329	1.0
296.36868	1.0
300.02655	1.3
343.13992	100.0
344.14157	1.5
357.15720	1.1
422.68695	1.1
493.22763	1.5
553.22925	85.2
554.23273	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	553.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18717	0.5
59.01381	8.3
67.01874	1.1
69.03436	1.2
71.01370	5.1
72.79538	0.5
73.02950	1.0
77.53795	0.6
78.95905	1.2
79.01897	1.1
81.03436	6.3
83.01393	4.2
84.95125	1.0
85.02937	4.8
87.00877	2.6
88.98781	0.9
89.02419	4.6
93.03445	7.4
95.01394	0.8
96.17116	0.5
96.95975	2.3
96.96963	1.3
97.02937	4.8
101.02433	2.6
107.01372	1.4
109.02925	1.2
111.04511	0.9
111.27303	0.8
113.02428	1.0
116.74343	0.6
116.92815	2.3
119.03442	0.6
119.04998	10.9
121.02942	9.9
122.03760	0.9
123.04516	0.8
125.02422	23.6
131.01349	0.8
133.02936	0.7
134.03722	0.9
135.00925	0.7
135.04527	2.2
136.01671	1.1
137.02393	2.9
141.07077	3.0
143.05069	5.0
145.02942	14.5
146.03722	1.2
149.02411	3.5
150.03249	5.0
151.00313	1.0
151.04013	1.3
153.01921	0.6
155.08662	4.5
157.06575	6.7
161.02440	2.2
161.04768	0.6
161.06047	4.7
162.03265	1.1
163.00369	0.7
163.03981	3.0
164.04880	0.8
165.01869	5.7
165.05544	3.2
171.08122	0.8
173.04518	2.5
175.00333	3.4
175.03973	0.9
177.01888	0.9
179.03419	1.1
179.07109	3.1
180.04283	4.3
183.08093	2.4
184.05257	3.3
185.06064	10.2
187.03970	0.7
189.01865	1.3
191.05606	24.5
192.05980	1.5
193.01411	5.7
195.06589	7.5
199.07652	10.7
201.05582	1.3
203.07106	3.0
209.06165	0.7
213.05528	0.7
227.07089	11.3
229.05090	6.9
241.04990	8.4
242.05760	1.5
243.06483	4.6
253.05002	6.2
255.06552	1.2
267.06622	3.4
271.06107	100.0
272.06393	1.4
283.06055	1.1
295.06073	12.1
301.07126	4.0
313.06979	2.6
373.09018	0.9
391.14035	2.7
433.11386	61.2
434.11957	1.2
463.12512	1.0
493.22479	1.0
553.14417	5.6
553.22662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24910	0.3
54.82103	0.3
57.03444	2.1
59.01374	5.0
60.99294	5.1
61.98823	0.7
67.01882	15.1
69.03446	4.9
71.01366	6.0
71.05023	0.4
72.99319	0.4
73.02927	0.5
75.27840	0.3
81.03445	3.4
81.46837	0.3
82.19898	0.3
83.05027	2.7
85.02949	2.9
87.00861	19.9
89.02405	1.5
93.03439	100.0
95.01363	0.5
96.95959	0.6
99.00860	3.2
99.04504	0.8
101.02416	2.2
102.35023	0.4
103.69494	0.4
109.02939	3.7
111.00861	0.4
111.04504	12.5
113.02414	2.2
115.04000	0.4
115.56490	0.3
117.03352	0.3
121.02969	0.5
123.04442	0.4
124.90238	0.4
125.02348	0.4
129.01910	2.3
131.03091	0.3
132.02069	0.4
134.03720	2.9
135.04500	21.6
137.02402	0.9
137.99600	0.7
139.00323	0.9
142.75494	0.4
149.06062	0.6
152.01111	0.8
153.01935	4.8
155.03510	3.0
159.04575	0.4
160.01646	0.7
161.02423	0.8
165.05519	1.8
167.03531	0.6
169.06474	0.4
170.66060	0.5
173.04527	38.7
175.03996	0.9
179.03491	0.8
181.01393	0.6
183.04570	0.5
183.13864	1.4
191.05629	8.7
211.04027	0.7
227.12759	0.5
239.03352	0.8
271.05923	0.4
285.00888	0.4
353.08832	0.7
359.25861	0.4
379.10391	3.0
426.80566	0.4
547.12646	0.5
553.15649	40.8
553.29114	1.3
553.71344	0.5
554.16180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52557	0.4
53.63997	0.6
54.63381	0.5
56.32312	0.4
56.51646	0.4
59.01376	100.0
61.98826	15.6
63.37891	0.5
70.49612	0.5
95.52515	0.6
112.82816	0.6
222.54190	0.6
233.37682	0.6
239.61977	0.6
268.52399	0.7
551.39069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24927	0.5
59.01385	1.3
60.12384	0.5
61.98826	18.6
66.70782	0.5
69.55485	0.6
78.95895	28.2
116.51807	0.7
130.12431	0.6
140.49071	0.6
146.65361	0.8
147.86203	0.7
152.99532	5.0
168.04253	4.9
191.05669	0.9
219.14542	0.7
224.06917	12.6
242.07936	3.0
275.20245	0.7
277.21692	100.0
278.22116	0.8
502.29391	63.9
503.29523	1.1
534.48267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.6
59.01382	1.7
60.19023	0.7
60.99303	13.3
60.99595	0.8
63.02368	0.9
71.01421	0.8
73.85004	0.7
78.05722	0.6
79.52883	0.7
82.84863	0.7
83.01382	1.0
85.02965	1.1
88.98799	69.3
107.01378	1.0
109.02937	1.4
121.03017	0.9
140.05222	0.9
151.00334	11.9
163.00354	1.8
178.99855	6.2
179.01172	0.7
191.05624	4.6
211.03908	0.8
227.03452	1.2
243.02963	8.8
244.97614	0.8
245.04472	0.9
254.02177	1.8
255.02991	19.7
271.02460	53.8
272.03076	2.8
281.75018	0.8
300.02734	100.0
301.03516	36.3
441.48129	0.8
444.87814	0.8
463.08823	96.4
464.09338	1.4
493.22879	1.5
553.22070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74275	1.0
59.01384	100.0
61.98835	6.8
63.03682	1.1
63.17086	0.9
71.01379	1.7
74.31525	0.9
78.95899	1.4
81.75645	0.9
87.00858	1.1
93.03448	2.2
96.96001	1.5
109.02924	1.1
130.80174	1.1
147.04524	1.0
156.94711	1.1
177.01836	1.0
191.05614	9.3
310.40808	1.1
505.34064	2.2
515.30206	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	551.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99039	0.3
52.43142	0.3
53.23355	0.3
59.01375	100.0
61.98823	15.0
61.99141	0.6
66.99594	0.4
88.34396	0.4
91.83862	0.4
92.10769	0.5
121.19603	0.4
124.42633	0.4
129.71555	0.4
130.35696	0.4
146.07639	0.4
167.44246	0.4
169.25270	0.4
204.41045	0.5
215.34242	0.4
323.04868	0.5
375.28729	0.9
551.39105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81362	1.3
59.01374	100.0
61.98824	11.7
65.18785	1.1
66.58459	1.0
71.01389	1.1
97.06573	6.3
97.78864	1.0
106.11983	1.1
134.19098	1.1
141.09219	6.0
191.05537	5.8
299.23669	1.5
343.26212	3.9
373.30896	1.6
392.84363	1.2
398.24722	1.1
409.66061	1.2
425.33777	1.2
491.37564	53.8
505.34488	6.7
515.30164	5.3
532.50708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81362	1.3
59.01374	100.0
61.98824	11.7
65.18785	1.1
66.58459	1.0
71.01389	1.1
97.06573	6.3
97.78864	1.0
106.11983	1.1
134.19098	1.1
141.09219	6.0
191.05537	5.8
299.23669	1.5
343.26212	3.9
373.30896	1.6
392.84363	1.2
398.24722	1.1
409.66061	1.2
425.33777	1.2
491.37564	53.8
505.34488	6.7
515.30164	5.3
532.50708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21322	3.7
59.01380	100.0
61.98830	25.8
68.32944	4.0
71.01380	18.9
73.02925	4.7
74.71125	4.0
74.96103	3.9
80.48424	4.1
81.21922	3.8
85.02943	9.1
92.63632	4.4
93.03445	4.6
101.02444	4.9
115.42010	4.1
116.92815	6.1
126.99178	4.6
132.13644	4.6
171.41206	5.3
191.05576	35.4
277.95053	4.7
402.35483	5.1
505.33838	23.3
515.29767	6.9
551.28717	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	551.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.0
61.98832	9.7
64.16658	1.2
75.91550	1.2
76.50401	1.3
88.28875	1.3
93.03441	2.0
99.26559	1.4
108.99957	1.3
118.65964	1.4
125.25261	1.4
126.24091	1.2
148.59955	1.3
191.05629	2.5
225.84706	1.6
334.64706	1.4
393.28061	2.2
407.29468	2.0
409.31012	2.4
423.32675	100.0
424.32950	2.8
425.34113	7.9
469.33209	82.3
551.33527	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81362	1.3
59.01374	100.0
61.98824	11.7
65.18785	1.1
66.58459	1.0
71.01389	1.1
97.06573	6.3
97.78864	1.0
106.11983	1.1
134.19098	1.1
141.09219	6.0
191.05537	5.8
299.23669	1.5
343.26212	3.9
373.30896	1.6
392.84363	1.2
398.24722	1.1
409.66061	1.2
425.33777	1.2
491.37564	53.8
505.34488	6.7
515.30164	5.3
532.50708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98837	36.6
70.91094	3.2
71.01366	12.4
76.56427	3.4
79.23908	3.4
83.74968	3.6
84.86752	3.9
85.02940	6.5
89.02457	4.3
101.02438	5.7
104.00853	3.3
126.32987	3.2
132.85931	3.6
183.94202	3.8
191.05617	7.6
211.63037	3.8
322.04919	4.0
489.09570	3.8
491.35934	8.5
515.28772	22.9
551.26349	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	551.2634
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
52.68831	2.7
59.01374	100.0
61.98817	27.7
71.01389	7.6
72.69553	3.5
73.02937	3.8
86.59614	3.9
92.10796	7.9
101.02446	5.4
135.04504	3.6
141.43704	3.3
167.78242	3.6
169.18916	4.0
189.02025	4.2
191.05609	23.5
241.61624	3.9
295.02557	6.0
341.06665	5.3
455.28088	3.5
491.33350	5.0
515.28625	24.2
551.25677	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03436	0.7
59.01377	100.0
61.98830	0.6
65.70189	0.5
67.01891	0.5
71.01376	14.3
72.99306	0.9
73.02935	5.7
75.00906	0.7
79.35281	0.5
82.95425	3.0
83.01408	2.7
85.02949	9.9
87.00859	1.0
88.98814	0.6
89.02425	4.3
90.96138	0.5
92.10092	0.6
93.03441	1.2
95.01389	1.2
96.65058	0.7
96.95980	0.7
99.00883	3.2
101.02429	12.3
108.02161	11.5
109.02951	6.1
111.00888	0.6
113.02440	6.6
115.00347	0.6
116.92815	2.1
119.03463	1.0
121.02956	3.9
125.02414	0.8
133.02930	1.0
135.04500	2.7
137.02513	0.7
148.43309	0.5
152.00012	0.8
152.01149	17.4
153.01817	0.8
161.02437	2.7
161.04518	1.3
163.57169	0.5
165.12811	0.6
175.04051	0.6
177.01888	2.5
183.13831	1.1
189.61800	0.5
191.05588	9.0
227.12852	0.9
243.19710	0.9
272.02850	0.6
285.03949	3.3
299.71210	0.5
302.03253	0.6
302.92798	0.7
329.23108	0.9
359.20770	0.7
447.25882	0.6
465.26990	2.5
489.26883	3.1
491.24628	0.6
507.28076	80.9
508.28152	1.0
551.14117	10.3
551.31128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07994	1.0
59.01375	100.0
60.64232	1.1
61.98821	9.1
71.01348	1.4
76.53315	1.1
85.23403	1.2
87.71439	1.3
92.10259	1.4
93.03477	1.5
109.02902	1.5
113.87172	1.1
120.51086	1.2
125.05929	1.3
139.11250	1.3
148.05284	14.0
163.07608	6.5
183.10280	2.5
191.05626	9.7
252.30702	1.3
453.30087	2.0
505.34808	2.9
515.29883	5.9
551.24707	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	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56300	0.9
55.01891	1.6
57.03443	4.2
58.00613	1.0
59.01376	43.2
61.98828	1.2
64.36726	0.8
65.98527	0.7
66.95905	0.8
69.03436	2.1
70.12532	0.8
70.60912	0.8
71.01373	26.8
71.01746	1.3
72.99304	1.2
73.02937	6.8
73.72098	0.8
77.00154	0.9
82.95402	29.7
83.01392	1.9
85.02953	7.5
87.00876	5.6
88.98794	3.2
89.02430	22.4
93.03451	6.0
95.01373	1.0
96.95989	7.6
97.02969	0.8
97.06610	0.8
101.02420	17.7
108.02144	1.1
109.02981	1.1
111.08160	4.2
113.02443	11.2
116.92864	1.6
119.03471	7.6
119.04976	3.2
121.02942	4.3
131.03445	1.1
135.04520	2.1
137.02342	1.1
141.01711	1.4
143.03418	1.2
155.24646	0.9
161.02409	1.2
161.04506	1.6
163.03976	1.2
165.09296	0.8
165.12830	38.5
173.48544	0.8
179.05614	2.1
181.12315	1.2
183.13876	100.0
184.14131	1.4
191.05586	10.0
196.91528	1.0
197.15453	8.4
207.13867	6.6
209.11749	6.8
225.14961	5.4
227.12881	73.0
243.06558	4.1
251.12880	9.4
263.12823	1.1
269.13907	8.1
285.03949	1.7
299.14996	5.5
320.01190	1.1
329.16074	21.0
329.23282	5.8
341.10867	5.1
359.02072	1.1
389.18204	40.0
390.18683	1.0
458.10269	1.0
483.27100	0.9
507.27658	1.2
551.23560	27.0
551.31775	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	551.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07994	1.0
59.01375	100.0
60.64232	1.1
61.98821	9.1
71.01348	1.4
76.53315	1.1
85.23403	1.2
87.71439	1.3
92.10259	1.4
93.03477	1.5
109.02902	1.5
113.87172	1.1
120.51086	1.2
125.05929	1.3
139.11250	1.3
148.05284	14.0
163.07608	6.5
183.10280	2.5
191.05626	9.7
252.30702	1.3
453.30087	2.0
505.34808	2.9
515.29883	5.9
551.24707	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48808	0.6
55.01897	0.8
57.03454	2.5
58.00594	0.7
59.01373	28.9
61.98829	1.1
63.81355	0.6
65.45020	0.6
69.03468	1.4
69.54439	0.6
71.01367	20.0
71.05012	0.8
71.05392	0.5
73.02931	7.0
75.00866	0.9
80.91667	1.3
82.95403	22.5
83.01395	1.3
85.02927	6.9
87.00881	4.2
88.98792	1.0
89.02429	11.4
91.43466	0.6
92.10154	1.9
93.03448	3.6
96.95993	6.1
97.02910	1.6
101.02419	17.2
108.02188	1.3
111.08148	3.9
113.02420	6.6
116.92834	0.7
119.03493	1.1
119.05010	1.2
121.02953	1.6
131.03505	1.0
135.04485	2.7
141.01732	1.1
143.03499	0.9
143.35405	0.6
147.54170	0.6
161.04576	2.2
165.12828	42.1
179.05626	0.9
179.14409	0.8
183.13884	100.0
184.14168	1.1
191.05600	10.8
195.13960	0.9
197.15485	13.7
207.13950	5.7
209.11818	8.2
225.14914	8.4
227.12886	73.1
231.97717	0.7
243.06633	1.5
251.12801	6.5
261.41623	0.6
269.13910	8.5
273.47955	0.6
285.04037	3.3
293.14035	0.9
299.14883	6.3
329.16068	20.4
329.23166	1.3
341.10663	2.6
341.14151	1.0
389.18176	40.4
390.18729	0.7
428.85938	0.8
507.27997	3.5
540.49994	0.8
551.23468	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56802	0.5
59.01376	64.5
65.00323	2.7
71.01381	0.8
76.55325	0.6
82.95432	0.7
85.02943	1.0
87.00878	0.6
88.98854	0.6
92.10912	1.1
93.03428	0.7
96.95975	7.1
97.02948	3.2
98.95571	0.8
101.02425	0.6
103.00365	2.0
115.92060	0.7
116.92820	0.9
121.02912	2.8
135.04550	0.7
139.04002	0.6
147.04561	0.6
149.06029	2.2
149.51447	0.5
149.99625	0.9
165.01912	18.7
166.02481	0.7
176.01088	0.8
177.01900	0.7
178.02692	2.5
191.03769	4.6
191.05431	5.2
210.01666	4.7
216.04349	0.8
231.06630	2.2
240.04337	4.9
255.06616	6.8
256.03781	1.2
271.06223	3.5
281.04532	0.8
284.03195	2.9
285.07761	1.2
298.04846	1.2
299.05594	7.6
313.07236	5.5
314.07950	15.5
329.10306	100.0
330.10626	1.2
491.15573	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23211	0.4
55.01900	0.6
57.03443	1.4
58.00597	1.2
59.01376	26.3
59.01669	1.1
59.35546	0.5
69.03452	0.6
69.90440	0.5
71.01368	14.7
73.02951	1.3
76.56195	0.6
85.02942	6.9
87.00868	1.2
88.98790	4.8
89.02428	15.2
92.56687	0.7
93.03457	2.5
94.86550	0.6
95.01385	2.6
101.02419	10.4
101.02909	0.6
102.45018	0.6
111.08173	3.1
113.02454	9.5
119.03472	4.4
123.04523	0.7
124.04847	1.0
125.02410	0.7
133.01501	0.7
134.58643	0.6
135.04582	0.7
143.03502	0.9
144.75383	0.7
161.04544	1.4
165.12827	30.1
170.23770	0.7
179.05670	2.2
183.13876	100.0
191.05591	6.1
197.15511	2.6
207.13820	4.6
209.11830	4.0
225.14972	1.3
227.12874	93.9
228.13205	0.9
231.09447	0.7
251.12808	9.5
263.13147	0.8
265.14291	0.7
269.14050	1.4
281.13901	0.9
293.13934	3.9
299.15073	0.9
302.03418	1.1
329.15909	2.4
353.16199	0.7
389.18250	18.4
491.24808	1.1
505.26517	0.8
507.09888	0.9
507.28207	0.9
551.15448	0.8
551.23181	0.9
551.30768	1.4
558.12671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88975	0.3
55.05586	0.3
59.01390	1.8
64.32974	0.4
67.01894	2.1
69.03454	0.5
71.01389	0.8
75.16397	0.3
85.02940	6.4
87.00852	5.1
93.03439	15.7
109.02955	0.9
111.04508	3.1
113.02463	0.6
121.02957	0.5
127.04007	1.5
133.02888	0.8
134.03728	1.9
135.04507	47.5
136.01691	0.5
137.02431	16.6
145.05042	0.5
149.02480	0.5
152.98344	0.4
155.03485	0.5
161.02426	7.5
167.03445	0.5
171.02882	0.6
173.04526	7.0
177.01753	0.5
179.03468	8.4
191.05602	100.0
192.05934	0.6
200.10611	0.4
233.06601	2.2
299.05557	3.0
302.92462	0.4
304.31155	0.4
341.06659	0.5
353.08572	0.5
359.07770	2.4
371.09814	0.6
515.11951	0.8
533.12976	9.7
551.14081	35.1
552.14355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18237	0.1
59.01374	0.8
61.98827	100.0
63.45407	0.1
64.09508	0.2
69.72077	0.2
74.94109	0.2
107.21674	0.2
125.29445	0.2
140.35919	0.2
229.48839	0.2
240.47284	0.2
265.78314	0.2
401.85242	0.2
488.34595	0.4
519.63593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32744	0.3
55.51429	0.3
56.61592	0.4
59.01377	2.8
61.98831	100.0
69.88888	0.4
129.98186	0.4
191.26663	0.4
488.34827	5.5
489.34851	0.8
490.35239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81031	0.2
57.03468	0.3
59.01382	0.6
60.32785	0.3
69.03465	0.3
71.01392	1.4
72.99298	0.6
73.02943	0.4
74.38813	0.2
80.41452	0.3
81.03461	0.3
83.01372	0.4
85.02970	1.5
87.00887	0.2
89.02412	0.3
92.10775	0.5
93.03465	0.4
95.01367	0.5
97.02954	0.3
99.00819	0.3
101.02464	0.4
108.02159	58.0
109.02942	13.5
113.02444	1.0
116.92841	1.2
121.02930	24.6
123.00871	0.3
123.04524	0.2
125.02441	0.9
133.02937	0.2
134.03737	0.5
135.04536	1.8
143.03534	0.3
147.04495	0.5
151.04042	0.5
152.01132	100.0
153.01920	3.2
163.03996	2.7
175.03900	0.3
177.01915	0.6
179.03462	1.3
191.05621	1.6
207.02982	0.5
271.02417	0.3
300.02731	0.5
301.03131	0.6
302.03384	1.1
305.37137	0.3
315.07242	0.9
315.73679	0.3
377.81726	0.3
429.10388	17.1
429.16278	0.5
436.27679	0.3
507.10162	1.3
551.14026	45.5
552.14374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
60.35425	0.1
61.98823	100.0
99.54407	0.1
106.39584	0.2
119.70200	0.1
191.05519	0.3
223.79948	0.2
346.31125	0.2
450.39322	0.2
491.81448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
60.35425	0.1
61.98823	100.0
99.54407	0.1
106.39584	0.2
119.70200	0.1
191.05519	0.3
223.79948	0.2
346.31125	0.2
450.39322	0.2
491.81448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93309	0.3
57.61951	0.4
59.01368	2.1
61.98822	100.0
66.40966	0.3
69.12392	0.3
82.40188	0.4
86.90471	0.4
87.66370	0.4
88.37083	0.4
121.02888	1.8
122.03266	0.5
137.18381	0.4
138.44449	0.4
183.13821	0.6
191.05621	0.5
203.82655	0.4
227.75670	0.5
256.32907	0.5
270.75430	0.5
308.72821	0.4
460.30545	0.4
488.34116	0.5
490.35425	0.5
526.91296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31444	0.3
54.72967	0.2
54.81809	0.2
59.01366	1.4
61.98822	100.0
63.67087	0.3
70.35695	0.3
80.52876	0.2
82.93919	0.3
92.10159	0.6
101.99641	0.3
112.47479	0.3
116.27773	0.3
136.90504	0.3
167.48940	0.3
184.58211	0.3
191.05611	0.5
194.05266	0.3
220.49699	0.3
222.95787	0.3
324.93536	0.3
339.95746	0.3
490.34872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48851	0.3
57.03462	0.3
59.01375	100.0
61.98829	3.0
71.01377	2.1
71.05018	0.4
73.02930	0.5
85.02938	1.5
92.10810	0.5
93.03447	1.9
96.32118	0.3
96.96004	1.1
101.02429	0.7
108.63277	0.3
109.02915	0.5
111.00827	0.3
113.02435	0.4
121.03001	0.4
123.00847	0.5
123.04463	0.4
133.02930	0.7
137.02423	3.0
143.87122	0.3
154.01424	0.4
159.00673	0.3
168.99106	0.3
177.01894	4.2
186.18240	0.3
189.01952	1.0
189.12787	0.5
190.02263	1.3
191.05574	1.7
215.03700	0.3
217.01370	1.6
218.01697	1.3
219.01912	0.6
221.08194	0.7
243.02887	0.3
255.02895	1.1
271.02463	2.3
300.02753	3.0
301.03445	0.6
329.05615	0.4
341.06537	0.3
342.06995	0.5
343.07419	0.6
441.29852	0.5
459.31131	1.4
489.32166	3.6
503.32196	2.4
505.09906	1.4
513.27521	0.4
549.28424	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	550.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60863	0.2
59.01373	0.3
61.98827	100.0
63.75668	0.2
63.96087	0.2
92.18424	0.2
141.30598	0.2
162.24031	0.2
266.32303	0.2
292.52029	0.3
490.35355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21717	0.1
51.04984	0.2
54.81679	0.1
59.01382	0.2
60.22696	0.1
61.98824	100.0
63.98472	0.1
81.49371	0.1
109.84927	0.2
119.95969	0.2
141.44958	0.2
151.01416	0.2
151.27345	0.2
182.16545	0.2
239.54198	0.1
317.76904	0.2
488.34619	1.6
489.34720	0.8
490.35242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28317	0.9
56.70354	0.7
56.70634	0.7
57.03463	1.2
59.01374	100.0
61.98833	3.5
62.33219	0.8
64.33251	1.0
71.01378	9.6
73.02961	4.4
80.99576	0.9
81.82664	0.9
82.76160	0.9
83.01402	3.6
85.02938	7.4
101.02432	6.8
113.02429	5.4
125.02400	1.0
136.42345	1.0
161.04623	1.1
186.99142	0.9
191.05565	1.5
212.74750	1.0
271.02533	1.2
300.02728	3.3
301.27634	1.2
325.27554	0.9
445.31668	20.1
463.32730	14.0
489.31793	1.7
503.33517	2.1
505.09521	1.2
505.33496	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	549.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
59.01374	100.0
59.77687	1.9
61.98822	14.0
71.01370	28.3
71.05029	2.1
73.02934	7.8
83.01391	4.2
85.02948	12.7
87.00854	3.4
89.02434	16.7
93.03490	2.0
96.95992	3.3
99.00892	3.0
100.25017	1.7
101.02420	20.8
109.02915	6.8
110.03321	1.9
111.04505	1.9
113.02425	16.2
119.03443	6.5
161.04544	6.4
177.01884	2.0
179.05516	3.3
189.01865	6.9
190.02315	2.6
191.05608	8.7
217.01372	9.3
218.01707	10.7
219.01894	2.5
226.57852	1.5
245.62900	2.0
255.02925	2.8
271.02454	7.7
300.02646	9.9
301.03494	3.8
329.05899	2.8
341.26886	7.0
445.31696	8.3
451.09152	2.2
463.32355	2.1
471.31378	3.8
485.32434	3.2
489.26364	3.1
503.32776	86.0
505.09793	6.6
549.30591	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35688	2.0
59.01376	100.0
61.98825	50.6
68.19334	2.4
68.44007	2.1
71.01385	15.0
73.02946	3.8
77.80737	2.0
85.02961	12.3
87.92101	2.3
89.02441	3.4
91.34785	2.3
92.10757	2.7
93.03455	3.3
99.00884	3.0
101.02455	11.0
104.38634	2.4
119.66805	2.0
142.42050	2.7
191.05600	12.2
193.05165	2.7
217.01434	8.6
218.01743	4.9
219.01994	3.1
245.31049	2.8
255.03114	3.4
271.02493	10.3
300.02747	16.1
441.33347	3.6
473.32791	50.7
489.27133	3.4
489.34155	20.1
503.33844	71.0
505.10165	4.8
513.26984	30.4
549.24615	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33584	3.8
59.01383	28.2
61.98827	100.0
62.81995	4.2
70.02795	4.6
70.04685	5.4
77.76916	5.3
86.08728	4.9
91.15804	5.0
114.91025	5.1
191.05611	28.2
192.05855	6.3
226.22122	6.5
248.04832	5.3
277.21658	21.6
337.00464	5.5
488.34589	44.1
489.34808	52.2
529.75452	11.3
530.75909	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	549.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63139	0.7
55.01876	6.7
57.03450	5.0
58.18599	0.7
59.01375	100.0
61.98827	6.1
71.01369	41.6
71.01746	1.6
71.05027	0.9
72.99286	1.7
73.02930	16.6
75.00868	1.4
77.08680	0.8
83.01393	10.0
85.02934	21.8
87.00848	1.4
89.02428	10.0
95.01344	3.4
96.96008	3.6
97.02926	1.2
99.00874	6.6
101.02425	39.8
104.62309	0.8
105.87570	0.9
111.00898	1.4
113.02437	18.1
119.03439	1.3
125.02399	1.4
152.01155	0.9
159.02888	2.1
161.04530	10.0
212.49936	0.9
249.91216	1.0
255.03061	1.3
271.02600	1.3
300.02701	3.2
301.03583	1.1
346.36438	1.0
357.22842	63.6
360.83368	0.9
401.21674	1.0
421.84195	1.0
436.47141	1.0
442.36807	1.0
471.31277	1.4
485.33032	2.9
489.26901	36.1
503.33713	23.3
505.09799	1.2
513.26819	3.5
535.24207	1.0
549.24738	4.9
577.57703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
56.80041	1.4
57.03450	1.7
59.01382	100.0
59.77459	1.2
61.98824	11.2
66.66039	1.4
71.01382	8.1
80.05529	1.4
81.99435	1.5
85.02967	6.4
89.02449	3.5
90.46059	1.5
92.47098	1.7
101.02424	7.2
107.44212	1.4
142.77119	1.6
149.04558	1.9
191.05542	3.5
217.01448	1.7
243.02808	1.6
271.02432	3.6
300.02780	10.1
380.72241	1.8
445.31573	6.6
463.32782	7.9
489.33926	3.4
503.33948	3.0
505.09668	6.0
549.24457	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	549.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36196	0.9
59.01377	38.5
61.98832	5.4
69.43077	0.9
71.01363	3.5
73.02940	1.5
74.75726	0.9
75.53245	0.8
83.05078	0.9
89.02448	2.1
93.93893	1.0
101.02448	1.4
108.21703	1.1
108.84650	1.1
135.02875	1.1
148.27560	0.9
149.04529	1.1
191.05582	3.8
245.98001	0.9
264.20804	1.1
271.02304	1.9
300.02814	3.9
327.35477	1.0
409.31650	1.2
421.30905	4.0
425.30032	1.5
441.34012	7.3
455.30994	1.2
457.33545	2.2
473.32242	1.4
485.32825	4.6
489.31839	7.7
503.33795	100.0
505.10062	1.6
513.27625	4.1
549.24658	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	549.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03437	1.0
59.01377	100.0
64.71149	0.4
65.00332	0.5
69.03452	0.8
70.68121	0.4
71.01371	14.3
72.99307	1.9
73.02942	5.0
81.03454	0.7
83.01380	3.7
85.02939	14.3
87.00857	10.5
89.02430	3.8
93.03452	2.9
95.01403	1.0
95.04949	0.5
97.02927	0.9
97.06605	0.6
99.00867	3.3
99.04498	0.7
101.02430	10.0
107.01410	1.0
108.02158	2.4
109.02927	1.2
111.04488	0.5
113.02432	10.8
115.58259	0.5
116.92790	0.5
119.28708	0.5
123.04489	4.4
124.01674	0.6
125.02438	1.1
125.06053	3.4
135.04506	0.5
139.03955	1.0
141.05559	1.1
143.03484	1.1
146.29088	0.5
149.04453	0.8
151.00346	4.1
159.03023	0.7
161.04520	4.3
166.22177	0.5
169.05080	0.8
169.12369	2.0
178.99811	1.1
182.82553	0.5
191.05612	5.0
206.36118	0.5
211.04016	0.8
212.18823	0.5
215.03308	0.7
219.03108	0.7
227.03571	0.6
243.02922	6.1
255.02991	13.2
271.02469	28.1
300.02756	38.2
301.03467	13.1
331.17767	3.6
371.17200	2.1
427.19647	1.0
445.20819	47.3
463.08752	0.9
463.21890	17.3
505.09958	19.3
505.22409	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	9.9
59.01375	59.2
60.31075	1.7
63.57141	1.8
65.75613	1.9
68.80882	1.6
71.01379	30.1
72.99287	3.1
73.02551	2.3
73.02941	9.5
81.03435	3.0
82.95395	3.3
83.01371	2.3
84.95135	3.7
85.02975	14.1
87.00871	2.5
89.02448	24.5
93.03430	14.6
95.01426	3.0
96.95988	74.0
98.95578	10.4
99.00855	3.0
99.04510	7.8
99.92558	2.8
101.02421	100.0
109.02959	4.3
111.04446	2.4
111.08151	11.4
113.02446	12.5
115.00343	3.0
115.92093	2.9
116.92854	37.2
119.03495	4.7
125.02427	8.5
127.04005	2.4
129.34372	2.0
133.02893	3.4
135.04491	11.1
137.02425	3.1
145.01425	89.7
147.04427	3.2
151.00273	4.0
151.04010	2.6
161.02428	4.1
163.02823	2.3
173.04527	3.1
179.10733	4.6
187.86382	2.3
191.05595	74.0
192.05814	6.5
193.06065	2.6
219.17514	11.6
223.09671	2.9
255.02802	2.8
259.06076	9.3
263.16501	12.2
269.04483	4.0
271.02444	8.3
300.02682	7.3
307.15494	21.1
369.05563	2.2
369.15338	3.4
449.10806	2.9
469.41772	2.2
487.21906	42.0
531.20837	27.9
549.13867	7.0
549.22107	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63025	0.6
59.01377	15.3
60.99303	18.1
67.01885	1.5
69.03464	1.5
71.01373	7.8
73.02943	1.1
81.03443	25.7
83.01392	1.7
85.02962	4.7
88.98795	100.0
89.02451	3.6
93.03441	7.0
95.01399	1.6
96.96022	3.6
98.95570	1.4
99.04527	1.0
99.92570	1.5
101.02450	3.8
105.03436	0.7
106.04255	4.4
106.56878	0.7
107.01418	2.9
108.02180	3.2
109.02932	6.8
113.02450	10.0
115.92059	1.8
116.92846	1.0
119.03540	0.7
121.02972	0.9
122.03754	1.0
123.04510	94.5
125.02482	1.8
135.00964	1.0
135.03015	1.3
135.04451	1.3
137.02429	1.6
138.03174	1.0
140.45555	0.8
148.01723	0.7
149.02412	15.2
151.00359	5.2
163.00374	0.7
171.04411	0.8
178.99925	1.2
184.62053	0.7
185.06117	5.5
187.07753	1.5
191.05635	1.8
198.98860	0.7
207.13942	1.6
211.07608	2.8
227.03432	1.0
227.07140	5.5
229.08693	85.9
243.03014	6.9
245.04680	1.0
251.12883	1.3
254.02188	1.3
255.02988	15.7
255.06619	44.9
255.09288	1.6
271.02472	32.5
272.03098	1.0
273.07654	41.7
300.02753	45.3
301.03549	17.3
431.19705	1.0
435.12939	57.3
436.13074	1.0
461.14706	1.1
469.06177	6.1
503.24854	1.7
505.09967	22.3
549.15973	28.3
549.28619	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	549.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03467	0.7
59.01375	10.1
60.99303	7.5
65.00321	0.5
65.03965	0.6
67.01898	2.0
67.14548	0.4
69.03446	3.5
71.01376	6.8
72.99294	0.6
73.02940	2.0
76.55679	0.4
80.66534	0.4
81.02961	0.9
81.03441	25.3
81.35808	0.4
81.92088	0.5
83.01406	0.5
83.76524	0.4
85.02945	4.1
86.13734	0.4
87.00874	0.6
88.98792	45.5
89.02440	2.6
93.03434	6.9
95.01374	1.0
96.95993	4.0
97.02959	0.6
98.95590	2.8
98.96492	0.5
99.04500	0.6
99.92561	3.9
101.02433	3.8
105.03429	2.0
106.04239	4.9
107.01389	3.0
108.02177	3.0
109.02939	4.1
113.02435	9.7
113.18373	0.4
115.92058	2.6
116.92845	0.9
121.02944	0.8
122.03719	1.0
123.04504	100.0
125.02415	0.9
133.02892	0.5
135.02992	1.9
135.04524	1.0
136.36288	0.4
137.02443	2.6
138.03217	1.8
147.04613	0.6
149.02425	16.3
151.00333	4.5
153.01918	0.7
161.04506	0.5
163.00340	1.0
165.05540	0.7
178.99847	2.0
185.06113	3.6
187.07608	2.4
191.05594	4.1
192.05890	0.7
193.05891	0.4
207.13914	0.8
207.87425	0.5
211.04112	0.5
211.07635	2.1
216.88705	0.4
227.03575	0.9
227.07129	5.2
229.08694	84.9
230.08945	0.8
242.97836	0.6
243.02991	5.4
255.02994	11.6
255.06593	43.3
256.06921	0.5
256.99216	0.6
261.95532	0.6
269.99902	0.6
270.99673	1.0
271.02478	23.4
273.07687	39.9
284.98669	0.6
291.85077	0.5
299.16586	0.5
300.02753	37.1
301.03494	12.6
342.81079	0.5
359.01910	0.6
364.48688	0.5
369.22162	0.6
371.21057	0.6
391.13831	0.9
435.12939	49.1
436.13568	1.7
463.08688	0.7
469.06067	3.2
503.24988	2.2
505.09970	16.7
549.16046	27.0
549.28790	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95867	0.2
51.59505	0.2
56.71077	0.2
57.03443	0.3
59.01374	100.0
61.03720	0.2
61.98820	1.4
70.30334	0.2
71.01041	0.2
71.01368	2.0
71.05014	0.2
72.84366	0.2
73.02946	0.4
81.31485	0.2
83.05035	0.3
85.02950	1.0
87.00866	0.3
88.98783	1.4
89.02430	0.4
93.03444	1.2
96.95996	2.7
96.99733	0.2
97.06576	1.1
98.95580	1.0
99.92559	2.4
100.93356	1.2
101.02415	0.4
111.04479	0.2
113.02436	0.4
115.92056	10.9
116.92829	2.6
121.02931	0.4
124.01624	0.2
125.02423	0.5
133.02908	0.9
134.03777	0.3
134.46489	0.2
135.04498	1.7
137.02403	0.3
161.04573	0.7
175.03786	0.2
175.53609	2.6
176.03658	0.4
177.01813	0.3
178.02679	0.8
179.03397	0.4
191.05544	1.5
215.95247	0.5
216.95937	2.4
217.01375	0.3
217.96686	3.4
219.98303	0.3
220.95261	0.3
228.48151	0.2
234.97041	0.2
243.02922	0.3
255.02936	1.0
261.95734	6.5
269.04596	2.3
271.02399	1.9
297.03995	4.2
300.02737	2.2
301.03430	1.1
312.06357	3.7
327.08633	2.1
352.07846	0.5
365.80212	0.3
371.99255	1.3
377.44681	0.2
388.84619	0.2
390.00430	5.6
407.00687	0.4
449.14670	0.3
461.79681	0.2
487.34979	1.6
489.31247	1.9
503.33524	0.3
505.09836	1.4
549.30743	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	549.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
71.01376	1.1
71.05696	0.5
77.43971	0.4
92.10190	0.9
93.03448	1.2
93.35421	0.5
96.95997	4.2
107.01398	0.6
109.02934	6.1
127.54774	0.5
131.04948	0.5
131.84317	0.5
133.02924	18.3
134.03722	1.2
135.04510	3.7
137.02400	0.7
149.02411	1.0
149.05978	0.6
151.03993	2.3
159.04495	0.9
161.02420	1.7
163.03954	2.2
165.01854	0.7
175.03986	5.5
177.01967	3.7
177.05518	2.2
179.03458	0.8
189.01889	0.7
189.05544	0.9
190.02632	0.9
191.03494	2.9
191.05577	6.4
192.05940	1.0
194.21838	0.6
201.01872	2.7
203.03510	3.7
205.01454	1.0
205.04988	0.7
213.05594	1.7
215.03456	1.2
217.05164	0.9
225.05690	0.7
227.03558	0.7
229.04953	0.5
233.04495	0.7
235.02408	0.8
238.06390	0.6
239.07115	1.0
241.05009	1.0
243.06761	0.5
245.04480	2.6
249.05762	0.6
254.05894	2.1
255.06853	0.8
257.04431	0.6
265.04941	0.6
266.05725	0.6
267.06567	1.0
281.04675	0.9
283.06003	2.8
284.03287	0.8
284.06693	0.9
285.03970	1.9
295.06146	0.9
297.04095	5.8
298.04785	14.7
299.05573	6.7
309.04074	2.5
310.04865	2.1
311.05624	15.2
312.06390	17.9
313.07178	14.8
323.05640	4.4
324.06445	0.7
325.03748	0.6
325.07068	3.9
327.05118	7.1
330.03549	0.6
338.04309	1.0
339.05093	21.8
341.06723	9.3
344.05280	2.8
351.05115	2.2
353.06793	6.2
353.10867	0.9
357.06091	3.2
369.06137	58.3
370.06381	0.9
371.07755	1.2
381.06165	10.3
383.07761	1.8
395.07950	1.0
399.07211	55.2
400.07681	2.4
411.07114	6.5
413.08841	0.6
423.07285	3.6
429.08292	10.3
441.08350	8.1
453.08203	1.1
459.09332	32.9
462.15997	0.6
471.09262	2.2
474.98666	0.5
489.10269	7.8
531.11493	3.2
549.12476	100.0
550.12738	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1247
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
54.81682	1.5
58.73368	1.1
58.94387	1.2
59.01387	47.5
67.01890	2.1
69.03463	2.5
71.01379	35.5
73.02938	11.1
81.03425	1.6
83.01386	2.7
85.02934	16.7
87.00858	9.7
89.02436	38.2
93.03415	15.1
95.01357	2.1
96.96010	18.9
97.02897	1.5
97.79124	1.4
99.00860	7.3
101.02421	21.0
106.71783	1.5
109.02940	10.3
111.04478	7.6
113.02426	12.6
119.03437	7.7
119.04863	1.5
123.04505	1.6
125.02408	2.3
127.03987	2.8
131.03488	3.0
133.02936	30.4
134.03731	5.4
135.04530	12.2
142.21036	1.6
147.04477	2.0
149.02463	3.3
149.04521	9.0
161.02419	7.7
161.04538	3.0
161.05882	1.5
163.04070	2.0
173.04530	8.2
175.02554	2.4
175.03889	10.5
177.01878	9.0
177.09166	8.7
179.03389	3.6
179.05669	1.4
187.04051	2.0
189.73663	1.5
191.03809	3.5
191.05589	85.8
201.01923	2.8
203.03526	2.3
205.04947	2.1
213.05560	2.1
217.01569	1.6
217.04930	1.7
239.07042	2.7
283.06125	6.6
285.03961	1.6
291.00208	1.8
293.08627	2.0
297.04022	3.5
298.04831	18.6
299.05472	9.4
309.03934	2.7
310.04587	1.9
311.05563	24.3
312.06464	18.2
313.07111	17.3
321.07339	1.8
323.05249	3.0
325.07321	5.9
327.05032	12.6
339.05054	38.2
341.06577	11.2
344.05038	1.8
351.04977	2.2
352.08017	20.0
352.57977	6.3
353.06696	6.5
357.06168	6.2
357.15402	9.2
369.06125	68.3
381.06259	14.3
383.07883	1.7
399.07205	57.5
411.07269	11.3
423.07181	2.3
429.08264	14.6
441.08017	8.9
453.07748	1.9
459.09348	52.9
480.73010	1.7
489.10278	25.9
489.19647	74.3
513.10138	2.5
531.11377	2.7
549.12390	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	549.1247
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
59.01365	0.6
71.01376	1.1
71.05696	0.5
77.43971	0.4
92.10190	0.9
93.03448	1.2
93.35421	0.5
96.95997	4.2
107.01398	0.6
109.02934	6.1
127.54774	0.5
131.04948	0.5
131.84317	0.5
133.02924	18.3
134.03722	1.2
135.04510	3.7
137.02400	0.7
149.02411	1.0
149.05978	0.6
151.03993	2.3
159.04495	0.9
161.02420	1.7
163.03954	2.2
165.01854	0.7
175.03986	5.5
177.01967	3.7
177.05518	2.2
179.03458	0.8
189.01889	0.7
189.05544	0.9
190.02632	0.9
191.03494	2.9
191.05577	6.4
192.05940	1.0
194.21838	0.6
201.01872	2.7
203.03510	3.7
205.01454	1.0
205.04988	0.7
213.05594	1.7
215.03456	1.2
217.05164	0.9
225.05690	0.7
227.03558	0.7
229.04953	0.5
233.04495	0.7
235.02408	0.8
238.06390	0.6
239.07115	1.0
241.05009	1.0
243.06761	0.5
245.04480	2.6
249.05762	0.6
254.05894	2.1
255.06853	0.8
257.04431	0.6
265.04941	0.6
266.05725	0.6
267.06567	1.0
281.04675	0.9
283.06003	2.8
284.03287	0.8
284.06693	0.9
285.03970	1.9
295.06146	0.9
297.04095	5.8
298.04785	14.7
299.05573	6.7
309.04074	2.5
310.04865	2.1
311.05624	15.2
312.06390	17.9
313.07178	14.8
323.05640	4.4
324.06445	0.7
325.03748	0.6
325.07068	3.9
327.05118	7.1
330.03549	0.6
338.04309	1.0
339.05093	21.8
341.06723	9.3
344.05280	2.8
351.05115	2.2
353.06793	6.2
353.10867	0.9
357.06091	3.2
369.06137	58.3
370.06381	0.9
371.07755	1.2
381.06165	10.3
383.07761	1.8
395.07950	1.0
399.07211	55.2
400.07681	2.4
411.07114	6.5
413.08841	0.6
423.07285	3.6
429.08292	10.3
441.08350	8.1
453.08203	1.1
459.09332	32.9
462.15997	0.6
471.09262	2.2
474.98666	0.5
489.10269	7.8
531.11493	3.2
549.12476	100.0
550.12738	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56522	0.2
59.01382	1.0
68.35482	0.1
79.95730	2.1
86.69470	0.2
92.10791	0.4
96.95992	100.0
109.02937	1.5
116.92875	0.2
123.04495	1.0
149.30849	0.2
151.00284	0.2
151.03967	0.4
161.02333	0.3
171.82234	0.2
177.01926	1.5
178.02301	0.2
189.01926	4.1
190.02380	1.1
191.03468	0.8
191.05620	0.3
203.03381	0.3
205.08603	0.2
216.00630	0.2
217.01399	2.5
219.03014	0.7
231.02837	0.3
232.03490	0.2
255.02962	0.3
270.65692	0.2
271.02417	1.7
300.02713	1.8
301.03534	0.7
328.62088	0.2
341.06650	4.3
342.06955	1.0
343.07315	1.1
370.48761	0.2
379.01678	0.2
451.10339	2.7
492.68771	0.2
503.25134	0.2
505.09961	0.9
507.06342	0.2
546.03687	0.2
549.29309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.81412	0.2
60.93963	0.2
62.26363	0.2
63.02390	0.7
65.00320	1.3
66.31126	0.2
74.76076	0.2
83.01363	0.8
96.95995	1.5
107.00714	0.4
107.01374	4.2
108.02174	2.6
109.02940	2.9
118.24113	0.2
119.91771	0.2
121.02956	2.6
135.00862	1.4
139.03986	0.3
143.05011	0.3
147.00778	0.2
148.01633	2.5
149.02419	0.2
151.00354	12.8
163.00372	3.8
164.01135	1.0
165.01947	0.2
169.01379	0.5
175.03944	0.4
178.99835	4.8
183.04478	0.4
187.03999	0.8
190.99794	0.4
192.00648	0.3
198.03181	0.4
199.03947	1.3
201.01930	0.3
201.05515	0.4
203.03531	0.5
211.04062	1.6
215.03421	1.1
216.04263	0.9
226.02727	1.7
227.03450	4.1
229.01251	0.3
229.04976	1.0
239.03365	0.3
243.02954	16.0
244.03630	0.4
245.04497	1.6
254.02180	2.9
255.02963	36.6
256.03616	0.5
271.02451	76.4
272.03085	2.9
273.03952	1.3
283.02502	1.3
299.01974	1.9
300.02725	100.0
301.03488	31.4
302.04059	0.4
363.65659	0.2
445.07162	0.3
463.08853	2.8
481.92996	0.3
505.09882	54.2
506.10172	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	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82869	0.3
59.01374	18.9
59.01672	0.6
61.98829	1.3
65.18539	0.3
92.10077	0.3
124.63827	0.4
183.13878	3.2
209.11816	2.3
240.98404	0.4
379.30014	0.7
409.31122	2.9
421.31290	0.4
457.14542	0.4
469.33295	0.6
485.32703	2.3
487.34283	100.0
488.34741	3.5
501.31934	3.9
511.28870	1.3
516.49536	0.4
547.30298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60490	0.3
57.79689	0.4
59.01378	6.3
61.98823	100.0
68.09661	0.4
74.42609	0.3
83.46194	0.4
88.73110	0.4
89.82465	0.4
191.05595	1.6
300.02786	0.4
445.23511	0.5
468.31689	0.5
486.33273	4.1
487.33319	1.7
488.33963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65574	0.7
59.01372	22.6
60.01706	1.1
61.01811	1.5
61.98825	100.0
84.06041	0.8
146.64859	0.9
191.05647	1.4
234.86684	1.0
271.02536	1.1
411.75314	1.0
487.34415	13.8
488.34619	33.2
502.32489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.3
61.98814	0.4
85.03210	0.2
116.02997	0.3
142.05606	0.2
253.90837	0.3
324.08365	0.3
487.34274	100.0
488.34491	3.4
533.24225	0.3
547.29877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82126	0.9
59.01369	8.8
61.98840	3.5
63.64043	0.8
70.91174	1.0
77.19019	0.8
93.03473	1.0
148.83995	0.8
155.99394	1.0
157.96448	0.8
169.93698	1.0
188.15761	1.1
191.05594	6.4
407.04889	1.1
469.28290	1.0
483.30835	1.1
487.34283	100.0
488.34579	1.7
501.32617	1.9
538.76062	2.2
547.29950	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	547.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44192	0.3
59.01372	25.3
61.98827	4.2
64.15615	0.5
71.05020	0.8
73.02926	1.2
79.43467	0.4
83.86209	0.4
86.67728	0.5
92.10748	0.8
92.63946	0.5
110.92529	0.5
119.05043	0.6
191.05574	2.0
244.40315	0.5
310.95248	0.5
330.98566	0.5
345.49966	0.5
364.87405	0.5
387.30682	0.6
389.32175	2.0
403.29977	1.1
469.33331	5.7
487.34277	100.0
488.34741	3.1
547.29608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12964	0.4
59.01373	7.3
61.98814	2.5
98.67294	0.6
114.36704	0.5
139.59628	0.5
281.78177	0.5
307.16516	0.6
357.39920	0.6
487.34271	100.0
488.34775	3.7
501.32239	2.2
547.29901	14.7
547.37726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61399	0.5
55.59869	0.5
58.00600	3.3
59.01383	4.3
61.98833	1.0
64.84165	0.6
74.83209	0.5
76.56320	0.5
83.29339	0.6
84.48815	0.5
116.62669	0.6
131.53326	0.5
148.56100	0.6
241.00200	0.6
289.45023	0.7
306.17749	0.6
377.28513	1.4
391.30029	0.8
393.31921	4.4
405.31763	0.7
408.25998	0.7
423.32745	13.9
425.34274	3.1
437.30518	0.6
439.32333	2.1
441.33649	4.8
457.33478	1.2
467.31619	3.7
469.33301	7.4
475.34183	0.9
487.34317	100.0
488.34555	2.8
547.29938	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	547.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.7
61.98832	0.3
62.77152	0.3
69.92915	0.2
100.66134	0.3
115.54709	0.2
151.09592	0.2
176.81537	0.2
186.83659	0.2
250.52423	0.2
253.62688	0.3
257.55756	0.3
299.10358	0.3
387.71594	0.3
487.34280	100.0
488.34714	2.9
489.35281	0.3
501.32489	0.5
547.30377	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	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21953	0.4
57.16471	0.4
59.01382	2.2
59.33455	0.4
69.08804	0.5
70.66240	0.4
71.05010	1.1
96.71494	0.5
151.66858	0.5
152.11485	0.5
211.14970	0.5
217.82848	0.6
253.53183	0.5
274.75085	0.6
280.70920	0.5
377.28345	0.7
407.33386	0.8
416.58441	0.7
427.31961	0.8
443.35297	0.9
467.31766	0.6
469.33224	14.8
487.34262	100.0
488.34634	2.5
493.34842	0.5
547.29926	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	547.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50172	0.5
50.57539	0.4
54.82045	0.6
58.92494	0.4
59.01377	5.5
61.98827	2.3
70.93127	0.6
73.02956	0.9
82.89633	0.6
85.02901	0.5
94.14573	0.5
114.78580	0.5
121.06593	0.5
191.05544	0.7
327.47382	0.5
363.27115	3.9
377.28427	2.7
379.30048	5.8
386.05911	0.6
391.30130	3.2
393.28009	0.7
407.29544	2.2
409.31125	29.9
423.28915	1.0
425.30652	2.5
427.32001	4.2
453.30121	10.3
455.31717	3.3
471.31046	4.2
501.32245	100.0
502.32852	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	547.3276
Annotation	Quadrangularic acid F
Peak:m/z	Relative Intensity
51.46601	0.4
57.03437	3.3
59.01376	17.6
61.98821	7.0
62.91682	0.4
65.27589	0.4
69.03450	1.0
71.01378	1.9
71.05000	0.7
73.02949	0.9
81.06252	0.5
83.05025	0.6
83.17498	0.4
85.02941	2.0
87.00855	0.8
87.04485	1.8
89.02404	0.5
92.10133	1.2
93.00745	0.4
93.03446	2.8
95.05035	1.0
96.95993	21.1
97.02894	0.4
97.06611	0.7
99.04514	1.0
100.05294	0.5
101.02447	0.5
101.06055	3.8
109.02964	4.5
118.39526	0.6
121.02953	0.5
122.03653	0.6
123.04496	2.5
123.08130	0.5
133.02956	0.7
134.03758	0.6
135.04521	3.3
147.04517	1.1
147.86395	0.5
150.03163	0.6
151.03984	0.6
161.02391	2.0
172.05312	0.5
175.03973	0.6
175.07346	0.5
177.01912	5.3
179.03505	0.7
179.07161	0.8
189.01917	18.3
189.12828	4.1
190.02631	2.6
191.03665	1.0
191.05598	6.5
203.03488	0.6
216.00616	3.9
216.99443	0.7
217.01407	12.6
219.02950	2.6
229.01324	0.7
231.02895	1.8
232.03638	0.5
269.19464	0.5
270.01672	3.1
285.04028	3.7
313.03439	2.4
327.05005	3.5
328.05920	2.0
341.06689	8.1
343.08374	3.3
353.24652	0.6
383.25848	1.1
405.28085	0.8
407.25818	0.8
419.11649	1.6
423.28955	2.9
425.26971	1.0
437.26987	0.9
441.30112	0.8
449.14554	0.6
453.30170	2.7
455.27988	0.5
471.31018	7.9
482.90936	0.5
485.28946	0.8
487.30908	2.7
515.30109	13.5
547.32751	100.0
548.33063	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82080	0.3
53.66069	0.3
59.01376	1.6
61.98819	3.1
64.43686	0.3
66.62305	0.4
71.05009	1.7
72.91862	0.3
79.11005	0.3
83.05051	0.5
109.99467	0.4
176.22156	0.4
194.09119	0.4
238.81952	0.4
250.62560	0.4
276.10254	0.5
333.77917	0.4
379.30032	0.8
381.27747	0.4
385.27789	0.4
391.30371	3.3
393.27945	0.6
409.31131	2.2
441.30072	1.9
457.33038	0.5
471.31003	0.7
483.31155	12.3
487.34677	0.9
501.32220	100.0
502.32648	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	547.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76957	1.3
55.54717	1.2
56.64967	1.4
57.03454	5.3
58.99605	3.0
59.01372	48.3
60.81749	1.2
61.98820	20.3
64.61196	1.2
64.83450	1.3
66.38660	1.3
67.01883	1.7
71.01382	11.3
71.05005	1.7
75.00863	2.2
82.95406	1.5
83.05001	1.6
85.02940	7.8
87.00863	9.5
87.04503	6.6
89.02446	8.4
92.10059	2.3
93.03456	10.8
96.95991	100.0
101.02460	7.3
101.30244	1.4
102.98585	22.2
109.02939	15.4
113.02422	2.2
113.92595	1.8
119.04985	2.1
121.02931	5.0
123.04519	3.5
125.02450	2.1
125.26443	1.4
133.02895	5.6
134.03708	2.6
135.04488	15.7
147.04489	1.8
147.74660	1.4
149.04445	1.6
150.03194	1.5
151.03960	3.2
151.05045	1.8
152.66971	1.4
161.02415	2.7
163.38570	1.5
164.15257	1.4
167.07028	1.5
173.04477	1.8
177.01962	14.2
179.03491	2.9
179.07129	7.4
189.01913	40.7
191.03542	5.7
191.05577	32.1
216.00656	10.7
217.01405	39.5
219.02965	2.8
229.01297	2.0
231.02931	2.1
263.16434	5.9
266.32275	1.9
283.04919	13.1
285.04059	1.9
327.05124	11.7
341.06659	17.3
352.07877	2.4
390.58661	1.6
419.11368	9.7
449.09167	1.8
449.14645	3.4
457.29794	2.0
469.29431	2.2
487.30536	7.0
509.25818	5.3
547.22479	13.9
547.33459	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	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30579	0.5
59.01389	1.1
62.48913	0.6
85.02954	1.4
93.03451	2.8
96.95995	3.5
109.02951	0.8
119.05000	100.0
144.59747	0.6
145.02974	6.5
152.91718	0.7
161.06068	1.1
163.03992	95.7
164.04294	0.8
191.05603	19.2
191.07260	0.7
192.05920	1.5
193.06157	1.1
226.73694	0.6
325.09259	24.8
353.08859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01373	18.3
65.00309	0.3
67.26939	0.3
71.01370	7.9
72.99292	1.3
73.02939	0.5
73.83286	0.3
75.00861	10.6
78.95879	0.4
79.95718	1.8
83.01385	0.5
85.02935	2.9
87.00889	0.3
89.02427	10.4
93.03441	0.8
95.01392	0.5
96.95990	100.0
99.04498	1.1
100.31682	0.3
101.02422	4.3
109.02876	0.4
111.04507	0.7
113.02451	2.5
119.03464	2.4
121.02934	0.5
125.02362	0.4
126.90384	0.6
127.03999	0.4
128.90106	1.5
131.03464	0.4
135.02979	23.0
135.04460	3.6
137.02492	0.3
149.04535	0.4
151.00369	4.6
151.03975	0.5
161.13405	2.5
179.05571	0.5
187.11259	0.5
191.05615	5.8
205.12329	7.5
249.11336	3.7
269.27777	0.3
287.05615	1.4
367.13937	2.0
429.17633	5.6
449.11053	1.4
479.97015	0.4
547.20343	19.6
547.27625	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	547.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.0
58.11959	0.4
59.01372	18.2
61.98824	11.1
62.01008	0.5
65.00278	0.5
67.01881	0.4
69.09341	0.5
70.18236	0.5
71.01362	5.1
73.02944	2.2
74.98212	0.6
83.01382	0.7
85.02959	1.2
87.04504	0.8
89.02424	3.9
89.03965	3.7
91.01903	0.8
92.10889	0.6
93.03435	1.2
95.25996	0.6
96.95985	13.3
99.00871	0.8
101.02417	3.9
108.02150	2.5
109.02937	34.6
113.02437	1.2
117.03465	1.2
119.05021	1.1
123.04501	2.5
133.02945	13.8
135.04497	3.0
137.02470	0.8
143.03392	0.5
145.02908	3.2
146.03688	2.9
147.04491	2.6
148.01631	0.9
149.02432	0.9
149.04539	1.2
150.03224	0.7
151.03987	2.2
153.24062	0.5
159.04521	2.7
160.01617	0.8
161.02406	6.3
163.03963	0.8
167.03430	0.7
172.05264	1.2
173.02458	0.7
173.06055	1.1
174.06870	1.1
175.07607	4.0
176.01122	7.1
177.01904	69.2
177.17712	0.6
179.03540	0.7
187.04004	1.0
188.01134	2.5
189.01917	89.7
189.09193	2.9
190.02641	3.8
191.03452	9.1
191.05530	3.7
200.04865	1.0
201.01924	14.3
201.09190	3.1
202.02650	1.0
203.03459	6.2
205.08687	0.8
212.04753	3.1
214.02646	3.7
215.03499	5.0
216.00629	70.4
217.01392	63.4
219.02930	11.0
227.03513	0.6
228.99165	0.9
229.01402	28.0
229.08626	3.2
230.02173	3.7
231.02907	3.5
233.04625	0.7
238.02629	0.7
241.08699	3.5
242.02171	15.7
243.02913	2.4
269.04477	2.3
287.05609	1.2
297.04074	0.7
299.05573	2.4
327.05109	3.3
329.06339	1.0
339.05182	0.9
341.06714	6.3
372.06415	2.6
391.11877	1.2
401.10217	9.3
419.11359	100.0
420.11691	2.5
449.15213	0.6
467.61481	0.7
471.30731	0.7
487.32855	3.7
505.33691	2.6
515.29724	0.7
529.14874	10.0
547.15802	2.0
547.23761	0.9
547.32806	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	547.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78188	0.3
57.60536	0.3
59.01141	0.4
59.01379	3.5
61.98835	1.7
63.89623	0.3
71.01361	1.2
85.02959	0.7
89.02471	0.4
89.12942	0.3
91.01930	0.4
93.03477	1.6
95.05023	2.1
96.96001	16.3
97.22957	0.3
103.05541	0.6
105.03434	0.5
108.02198	0.7
109.02942	18.5
117.03458	1.6
119.05000	2.8
121.02943	0.7
122.03727	1.3
123.04503	18.4
133.02971	3.8
134.03743	0.5
135.00844	0.4
135.04510	1.9
137.02507	0.5
145.02951	2.1
147.04498	7.2
149.02429	0.6
150.03223	1.9
151.04007	8.4
159.04460	2.5
161.02454	3.9
161.06114	0.6
162.03203	0.7
163.04010	1.3
173.02382	0.5
175.04001	2.8
176.01161	1.3
176.04767	7.7
177.01923	32.2
179.03555	1.2
181.08672	0.7
187.04019	1.9
187.07654	0.6
189.01926	81.8
190.02698	17.0
191.03484	15.9
191.05577	4.6
193.06586	0.8
201.02051	0.6
203.03513	8.8
205.06931	0.5
205.08699	7.0
216.00632	12.4
217.01419	42.5
218.02159	3.1
219.02985	16.3
231.02959	12.0
232.03841	0.6
233.04485	1.3
281.04526	0.7
297.07819	0.5
323.05643	2.5
341.06653	100.0
342.07031	1.9
353.08887	0.4
419.11322	1.3
449.14246	0.6
547.15997	6.7
547.33185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77881	0.7
54.63606	0.6
59.01379	3.4
61.69318	0.7
61.98832	1.3
71.01404	0.8
77.62657	0.7
87.00868	0.9
89.10718	0.8
93.03441	6.4
94.61871	0.7
95.04992	1.3
96.95987	13.4
106.49470	0.7
109.02943	19.0
117.03463	0.8
119.05004	1.9
121.02918	1.0
122.03745	1.5
123.04501	17.2
133.02950	4.6
135.00792	0.9
145.02953	3.3
146.87434	0.8
147.04495	6.6
148.05251	0.9
150.03189	1.3
151.03973	7.8
153.78137	0.7
159.04460	1.3
161.02409	1.9
175.03905	1.3
176.01285	1.2
176.04750	7.5
177.01913	32.0
187.04059	1.9
189.01913	78.8
190.02693	15.5
191.03471	12.5
191.05539	4.1
203.03528	6.8
205.08681	5.9
206.84911	0.8
213.38139	0.9
216.00618	14.0
217.01421	44.2
217.03545	1.6
218.02077	1.5
219.03024	14.7
231.02985	11.2
233.04419	1.3
247.02237	0.8
277.08261	0.9
323.05563	1.6
327.05173	1.0
341.06647	100.0
342.06583	1.1
356.20343	0.8
419.11310	3.5
547.15765	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	547.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81849	0.4
59.01373	2.7
60.99301	0.5
61.67375	0.4
71.01381	0.5
71.05438	0.4
71.21746	0.5
82.95403	0.5
85.02943	1.9
87.00852	0.5
88.98792	2.7
93.03452	2.5
95.05010	1.7
96.95982	4.3
101.02422	0.5
103.05503	1.0
104.26249	0.4
105.03482	0.5
108.02164	0.8
109.02936	17.0
113.02402	0.6
116.92843	0.6
117.03438	0.5
119.05016	2.3
119.09552	0.5
121.02970	0.5
122.03705	0.6
123.04499	16.6
128.90131	2.9
133.02927	5.7
134.03706	0.8
135.04474	2.4
137.02365	0.6
145.02904	2.1
147.04510	7.0
149.02406	1.8
150.03238	1.0
151.03972	8.4
159.04501	2.5
161.02403	3.9
163.03976	0.6
175.03931	3.5
176.01129	0.9
176.04785	7.7
177.01917	29.1
179.97699	0.5
187.04018	2.1
187.07613	1.7
189.01912	70.2
190.02701	17.3
191.03477	14.8
191.05547	6.6
201.01921	0.5
203.03528	8.3
205.08701	6.4
216.00591	11.4
217.01408	40.6
218.02185	2.3
219.02969	15.0
227.07060	0.6
231.02956	11.9
232.03661	0.9
233.04488	0.7
246.88545	0.5
281.04425	0.5
323.05487	1.9
341.06653	100.0
342.07120	1.7
447.35052	0.5
547.15692	5.6
547.28412	0.6
554.55798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70139	0.5
54.81261	0.5
57.03465	0.5
59.01372	1.1
61.78322	0.5
71.01378	0.5
74.80376	0.7
75.00882	0.6
82.95403	1.0
85.02925	0.7
89.02434	0.5
93.03462	1.1
94.98082	2.8
95.05024	2.3
96.95977	8.5
101.02396	0.7
105.03485	0.6
108.02225	0.5
109.02946	17.3
109.03613	0.9
113.02526	0.7
117.03461	1.1
118.77347	0.6
119.05035	2.6
119.18344	0.7
120.36502	0.5
121.02959	1.2
122.03658	0.5
123.04503	15.8
125.02419	0.7
133.02925	5.2
135.04506	0.6
145.02960	2.2
147.04483	5.7
148.55824	0.5
149.02521	0.7
150.03186	0.6
151.00208	0.6
151.04002	8.1
159.04500	1.2
161.02408	4.3
162.03157	0.9
172.05157	0.6
173.04678	0.6
175.03995	2.7
175.69321	0.6
176.01082	0.8
176.04759	7.9
177.01917	28.5
183.34955	0.5
187.03999	1.0
187.07645	0.8
189.01918	75.3
190.02702	15.5
191.03496	14.8
191.05574	3.9
192.73828	0.5
201.01764	0.7
203.03481	8.0
205.08662	7.9
210.84100	0.6
214.02811	0.7
216.00638	11.3
217.01410	36.8
218.02211	1.1
219.02957	15.3
231.02962	11.5
233.04539	1.2
323.05383	0.7
341.06662	100.0
342.07126	1.2
353.06619	0.7
354.88354	0.7
547.15747	6.2
547.28241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40875	0.4
53.29395	0.5
57.03466	0.6
58.58106	0.4
59.01382	9.2
71.01372	11.6
71.45641	0.5
72.99300	0.6
73.02953	1.2
82.12779	0.5
83.01398	3.1
85.02934	13.6
87.00861	20.8
93.03448	5.8
96.77039	0.5
96.96013	1.2
109.02930	5.1
111.00872	5.3
111.04517	1.2
113.02400	0.5
115.00352	36.0
122.06142	0.6
126.12128	0.5
127.00380	0.6
127.03994	2.6
130.78642	0.6
136.59520	0.5
139.00359	8.8
145.02936	1.0
157.01427	8.9
159.04530	0.5
161.02425	4.9
171.02969	1.1
173.02435	0.7
173.04604	2.0
175.02457	42.8
185.02440	1.0
187.03979	3.5
191.05600	100.0
192.05965	0.7
231.97591	0.6
240.04274	1.1
245.04462	2.4
280.08536	1.0
281.04657	0.9
295.10870	5.3
309.12320	0.6
323.05478	1.3
325.11957	0.7
327.13446	2.1
339.09705	0.8
353.11682	0.7
355.08240	6.3
355.12259	0.7
371.12448	4.2
401.13434	0.7
429.12894	2.3
467.14819	3.1
485.15576	3.8
487.13132	0.6
515.11945	0.8
547.14752	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	547.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01085	0.7
59.01378	17.7
60.40754	0.3
62.73346	0.3
63.70740	0.3
67.01880	0.6
71.01371	21.2
72.99291	1.7
73.02919	2.2
75.00873	0.8
83.01382	1.0
85.02944	3.3
87.00861	44.3
93.03436	2.7
96.95990	10.5
101.02437	1.0
111.00867	2.1
111.04525	0.6
112.98809	0.8
113.02463	0.9
115.00356	78.1
117.08440	0.4
118.33714	0.4
127.00321	0.9
129.01921	0.5
133.02917	0.4
135.02979	1.6
135.04485	0.8
139.00381	2.8
141.39706	0.5
157.01414	2.1
161.02454	1.5
173.04588	0.6
175.02460	100.0
191.05592	14.5
192.05930	0.5
295.11032	1.6
311.06052	0.4
325.11987	0.8
327.13608	1.6
352.08044	2.1
352.58322	0.6
355.08572	0.5
371.12598	2.2
397.10434	0.7
453.13379	0.5
533.39459	0.5
547.14478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.5
66.32074	1.2
67.01904	1.4
71.01370	25.1
72.99301	4.0
73.02955	1.4
77.64173	0.9
83.01385	5.2
85.02955	5.5
87.00858	47.2
88.26018	1.0
88.86894	0.9
92.30653	0.9
93.03431	7.6
95.58591	1.1
96.95984	10.9
101.02484	1.2
109.02895	1.2
111.00871	9.3
113.02411	1.5
115.00356	84.0
127.00393	1.3
135.04553	1.1
139.00369	18.6
157.01390	23.5
161.02414	1.6
173.04553	1.9
175.02455	100.0
191.05602	29.5
204.06879	1.0
243.06497	2.2
266.55328	1.3
280.08517	4.6
295.10852	8.3
305.81558	1.0
323.10522	1.1
325.11642	2.1
327.13437	8.7
335.28101	1.1
339.09915	2.0
355.08594	1.2
371.12469	9.8
391.13181	1.6
409.13748	1.0
429.13098	5.3
435.11713	1.5
443.14481	1.1
467.14313	5.3
485.15582	11.4
487.13223	3.6
547.15033	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	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73480	0.2
57.03441	0.5
59.01373	3.7
59.01609	0.3
59.94986	0.2
60.99296	1.4
67.01891	3.3
69.03454	0.6
71.01373	4.3
73.02939	1.5
75.01300	0.3
78.95885	0.4
79.95741	0.4
81.03458	1.2
83.05037	1.4
85.02937	15.9
87.00865	6.8
90.15290	0.3
92.10201	0.4
93.02937	0.4
93.03439	23.7
96.95989	24.6
96.96948	0.7
99.00875	0.5
99.04526	0.7
108.02168	0.8
109.02947	4.8
111.04517	5.0
113.02439	0.5
115.00365	1.8
121.02963	1.2
122.03720	4.6
123.04562	0.5
124.01620	2.2
127.03993	4.0
129.01967	0.5
133.02953	6.5
134.03720	0.7
135.04507	12.5
137.02420	2.7
146.03766	0.5
147.04489	2.9
148.05295	1.8
149.06082	0.3
151.03922	0.3
153.01804	0.3
154.02711	1.3
155.03508	1.7
161.02486	0.4
161.06073	2.7
163.03934	0.4
171.02980	0.6
173.04529	7.6
179.03511	4.8
191.05605	100.0
192.05956	2.7
217.01425	0.6
227.07047	0.5
228.07422	0.5
241.05074	0.7
242.05875	4.3
242.55167	0.3
254.05917	0.4
255.06624	1.5
255.32535	0.3
257.08188	2.3
259.28189	0.3
267.06558	0.7
268.07428	0.4
269.08115	0.7
270.08975	4.8
285.11307	14.5
289.05698	0.7
293.04398	0.6
295.06302	0.6
311.05511	0.3
311.09351	0.4
329.10257	0.4
339.05194	0.5
345.09229	0.6
345.59305	1.6
346.09448	0.6
355.08325	0.4
367.10385	0.7
373.09274	8.2
391.06854	0.5
449.10925	0.4
503.15692	2.8
513.10376	0.6
547.14630	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	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71353	0.4
50.93091	0.4
52.83641	0.5
55.92482	0.4
58.81326	0.5
59.01374	4.0
67.01871	1.2
70.35208	0.4
71.01382	4.0
73.02908	0.6
81.03439	1.0
83.01383	0.5
83.05038	0.7
85.02934	11.6
87.00867	5.1
93.03439	17.0
94.74981	0.6
96.96019	0.9
107.83270	0.5
109.02926	5.2
111.04504	3.2
117.03426	4.5
119.04998	1.3
127.03989	3.8
131.05000	2.3
131.95526	0.5
135.04497	2.1
143.05020	2.6
145.02908	5.6
146.03719	7.6
147.04504	10.5
149.02458	0.9
159.04515	2.2
161.02412	2.3
163.03970	1.0
165.05531	0.5
173.04539	6.2
175.03983	7.2
177.05518	1.2
189.01848	0.8
191.05594	100.0
203.03432	4.6
218.02153	2.4
219.02977	32.5
233.04390	0.5
235.07582	2.2
251.07095	4.7
253.08678	11.8
268.07144	0.7
279.06769	3.9
279.09274	0.5
282.05240	0.9
283.06049	4.8
295.06085	4.2
296.06812	2.8
297.07642	18.2
307.06030	1.9
309.07712	0.9
311.05502	3.3
322.05017	0.6
323.05533	7.6
325.07050	6.4
328.05872	4.6
335.05551	1.0
337.07053	2.9
341.06992	0.7
353.06638	23.6
355.08170	5.1
365.06754	3.6
383.07703	17.0
395.07602	1.1
413.08664	2.0
425.08749	2.0
457.11429	7.8
469.11453	0.8
471.12750	1.2
487.12375	3.7
503.15997	0.6
515.11877	2.5
529.13641	0.9
547.14551	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49332	0.2
55.42419	0.2
57.03450	0.3
59.01372	3.4
60.86762	0.2
60.99297	0.3
61.98833	0.4
67.01884	0.4
69.03461	0.3
71.01370	2.2
72.99318	0.2
73.02937	1.0
75.00880	1.1
81.03467	0.2
82.95405	0.5
83.05040	0.3
85.02936	10.3
87.00865	2.9
88.98792	1.8
89.02437	1.1
93.03439	6.6
96.95991	8.6
98.95567	1.2
99.04527	0.5
101.02438	0.5
109.02952	1.5
111.04523	1.5
113.02399	0.5
116.92815	1.9
119.03523	0.2
119.05052	0.3
121.02933	4.6
127.03990	3.3
133.02945	1.6
134.03755	0.8
135.04504	14.8
137.02341	0.3
155.03485	0.4
158.04564	0.5
161.02417	3.2
171.02937	0.4
173.04509	2.5
175.03929	0.3
176.05605	0.4
177.01903	0.3
179.03471	2.8
191.05600	100.0
192.05945	0.9
193.05009	1.2
229.01393	0.3
294.67859	0.2
296.15738	0.3
329.10300	0.3
341.06699	0.9
353.08835	2.6
373.09372	0.5
487.18109	0.4
515.11664	2.0
547.14557	9.4
547.27747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45667	0.3
54.50458	0.3
55.01884	0.3
57.03444	0.4
58.89572	0.3
59.01379	2.1
60.99306	0.6
65.29183	0.3
67.01869	3.1
69.03442	1.7
71.01368	4.4
73.02946	0.6
76.66976	0.4
81.03432	0.5
83.05021	0.9
85.02936	15.1
87.00861	6.7
87.49485	0.3
92.47239	0.4
92.64063	0.4
93.03437	20.7
96.95992	3.6
99.00890	0.8
99.04507	0.5
107.43812	0.4
108.02187	0.7
109.02926	4.7
111.04491	3.6
113.02419	0.4
115.00350	2.2
119.04865	0.3
121.02890	0.4
122.03714	4.9
124.01646	2.0
127.03968	3.4
133.02925	5.1
134.03714	2.4
135.04500	13.7
137.02451	1.5
138.37820	0.4
145.02957	0.5
146.03687	0.7
147.04506	3.1
148.05309	0.8
149.06038	0.4
154.02702	0.9
155.03502	0.7
160.01608	2.7
161.02443	0.6
161.06119	3.1
171.02950	1.5
173.04515	7.2
175.03973	3.1
179.03453	5.0
191.05594	100.0
191.29694	0.4
192.05954	1.5
193.04985	1.9
210.67546	0.4
241.04993	0.8
242.05815	4.6
255.06631	1.6
257.08157	2.3
269.08215	1.4
270.08932	3.8
285.11298	15.6
289.05606	0.7
311.09268	0.8
329.10391	0.6
337.09360	0.4
345.08939	1.8
345.59134	1.7
346.09280	0.6
353.08667	0.5
367.10364	1.4
373.09241	9.6
503.15350	3.2
547.14679	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	547.145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10990	0.4
59.01377	9.2
61.98833	1.9
63.83687	0.5
71.01386	0.8
82.95411	3.2
93.03444	0.9
96.95993	26.2
96.96947	0.9
98.95580	3.8
109.02959	3.2
113.62017	0.5
113.92590	0.6
116.92838	0.7
117.03465	2.6
133.02940	1.0
135.04517	0.8
151.00330	0.6
155.05002	0.7
156.05840	0.6
157.06592	9.5
158.03641	0.7
161.02373	1.1
170.03729	8.0
172.05206	0.6
173.02417	0.7
173.04634	1.1
173.06046	19.7
177.01933	4.9
177.99040	0.9
180.97826	0.5
181.08643	0.7
184.05246	1.9
185.06064	8.2
186.03215	3.5
189.01933	7.8
191.03654	1.1
191.05611	6.0
193.01328	1.0
197.02444	0.9
198.03223	20.8
199.04095	0.6
201.02000	1.2
201.05525	1.1
203.07150	8.9
213.01945	0.6
213.05566	5.5
214.02719	7.2
216.00620	3.5
217.01379	9.3
219.03006	0.7
225.01982	0.8
226.02718	21.1
229.01328	0.8
229.05005	4.9
231.06578	1.1
241.05061	26.9
242.02188	2.0
254.02200	4.0
257.04486	2.1
269.04529	9.3
270.01712	3.6
285.03964	2.1
298.01181	10.4
313.03549	66.9
314.03812	0.6
327.04971	0.6
328.05881	100.0
329.06113	0.6
341.06683	3.0
343.08221	77.9
344.08777	0.9
419.11520	6.2
449.14554	1.2
457.29819	0.9
460.98184	0.5
487.30374	0.7
547.16315	0.9
574.76215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69802	0.4
54.26875	0.3
59.01382	3.8
59.01628	0.4
69.91650	0.4
71.01371	3.5
71.28973	0.4
72.55268	0.4
78.95906	0.6
79.95728	0.5
85.02939	12.2
85.03409	0.6
85.97212	0.4
86.51842	0.4
87.00858	7.7
93.03433	6.2
94.96579	0.4
96.95989	26.2
98.95586	4.9
98.96424	0.6
101.02426	0.6
109.02940	5.9
111.04510	2.1
115.00358	8.0
127.04005	3.5
128.05037	0.4
145.02945	0.9
145.64287	0.5
146.03752	1.8
147.04500	2.7
155.03493	0.6
157.01474	0.5
157.02888	0.5
158.07379	0.4
173.04506	1.7
175.02483	11.0
175.03944	1.6
185.02362	2.2
187.04027	0.8
191.05600	100.0
192.06000	0.5
203.16963	0.5
213.02034	0.5
218.02161	1.6
219.02950	7.7
243.96475	0.5
245.04562	3.8
253.08682	2.6
263.05624	0.5
348.39688	0.4
355.08273	6.3
547.14600	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18454	0.1
59.01375	1.3
60.99304	0.1
68.90644	0.1
69.23717	0.1
71.01377	0.6
75.00872	0.2
78.95891	0.5
79.95717	1.6
82.08624	0.1
85.02933	0.2
88.98790	0.8
89.02425	0.8
93.03421	0.2
96.71090	0.1
96.95994	100.0
107.01385	1.0
109.02914	0.2
125.02466	0.2
135.02945	0.7
135.04503	3.9
150.99205	0.3
151.00354	5.1
163.03986	0.2
191.05591	1.8
201.64490	0.2
231.27876	0.1
231.94264	0.1
285.03940	0.3
287.05591	2.5
293.08755	0.1
309.51178	0.2
447.09741	0.2
449.10864	2.1
547.20612	0.2
547.27655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35139	0.3
57.03459	1.6
57.41248	0.3
59.01373	5.8
60.99308	2.1
67.01878	5.6
67.02187	0.3
69.03444	2.7
71.01373	3.2
81.03461	1.3
83.01401	0.6
83.05039	1.3
85.02933	5.2
85.03316	0.3
87.00858	13.1
89.02427	0.7
93.03438	43.3
99.00860	0.6
109.02956	0.5
111.00871	2.5
111.04501	8.9
112.98814	1.6
113.02457	0.8
115.04061	0.5
119.05013	2.2
120.18130	0.3
121.02930	35.4
125.54408	0.3
127.04001	2.0
129.01941	1.5
135.04538	0.4
137.02396	0.7
143.03473	0.5
145.02937	0.7
155.03462	2.9
163.04036	0.4
168.05151	0.3
173.04524	52.9
174.04976	0.3
175.02443	0.7
181.05063	8.1
191.05598	100.0
192.05948	1.4
233.06743	2.3
337.09140	3.7
341.10870	1.3
355.10330	63.4
356.10602	0.7
371.09747	1.7
499.80850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	15.7
61.98822	13.3
63.90347	0.4
65.00311	0.5
71.01355	2.0
73.02917	1.0
76.51865	0.5
83.79652	0.5
85.02942	2.5
87.00848	0.7
89.02427	0.9
93.03435	2.1
101.02442	0.8
103.13143	0.5
109.02954	4.8
111.04491	0.6
123.04484	0.8
128.37990	0.5
134.44293	0.5
135.04507	0.6
145.03003	1.1
151.00314	0.6
154.01460	0.6
159.04509	0.5
161.02455	0.8
165.01874	1.1
173.04549	1.0
177.01910	4.8
189.01933	17.8
190.02705	1.3
191.03691	1.8
191.05568	11.5
198.03093	2.0
201.09232	0.5
203.03354	0.7
214.02705	1.1
216.00620	1.3
217.01422	20.2
219.03030	1.2
226.02687	2.7
229.04974	0.6
231.02943	0.6
241.05005	1.1
242.02216	16.0
245.00916	1.3
254.02182	8.8
257.04523	9.6
265.19449	0.6
269.04572	6.6
270.01694	16.0
285.04034	14.8
298.01089	5.6
299.05557	0.9
313.03543	100.0
314.03864	1.1
327.05008	5.6
328.00000	0.8
328.05875	55.1
341.06619	5.6
343.08237	75.0
361.88098	0.6
419.11441	1.0
449.09158	1.2
476.66806	0.6
487.25085	1.2
536.35199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3482
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
52.20354	0.3
59.01363	0.7
71.05020	2.3
75.80389	0.4
102.73478	0.5
105.87151	0.5
108.70662	0.5
136.81770	0.5
268.98599	0.4
305.58905	0.5
369.27762	0.5
377.28534	0.7
393.31735	0.8
404.12408	0.5
421.31018	0.6
423.32605	2.2
425.30606	2.4
431.81299	0.5
437.30692	0.5
441.33875	1.5
454.09799	0.5
467.31638	14.6
485.32745	100.0
486.33310	3.1
545.28448	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	545.3484
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01376	2.3
71.05007	1.9
80.78161	0.3
113.23048	0.4
113.26606	0.4
123.08121	0.5
130.48930	0.4
163.07658	0.8
191.05574	1.7
246.00970	0.4
248.50911	0.4
273.69385	0.4
311.23804	1.5
353.24896	0.8
371.25861	0.6
374.22430	1.8
376.28101	0.6
377.28497	0.5
389.28632	0.7
404.27255	2.6
417.28183	1.5
419.29788	2.0
437.30496	2.3
449.30557	1.6
451.32144	5.7
469.33176	0.8
485.32062	2.7
495.31073	5.8
527.33710	11.9
528.34039	0.6
545.34869	100.0
546.35443	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	545.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38532	0.2
59.01375	100.0
59.88824	0.2
60.71663	0.2
64.93666	0.2
87.06908	0.3
93.16077	0.2
102.04222	0.3
111.79305	0.2
191.05597	0.3
245.83340	0.3
421.31122	0.6
441.33698	1.4
485.32779	3.6
487.34366	1.4
499.30740	0.3
545.29620	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01696	0.4
61.98827	3.1
67.01891	0.4
71.01378	0.3
71.95463	0.2
73.02946	0.3
73.50509	0.2
75.53713	0.3
82.11584	0.2
82.70908	0.3
85.02940	1.6
87.00874	0.5
88.98799	0.3
90.44926	0.2
93.03445	3.2
96.95999	0.3
111.04480	0.4
118.96914	0.5
137.02432	0.4
173.04507	1.0
177.01817	0.3
187.07533	0.4
191.05605	11.1
200.04770	0.5
203.82108	0.2
215.07167	3.8
217.01221	0.3
227.03488	0.4
297.03995	0.4
509.25629	0.3
545.20319	1.1
545.32916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90575	1.3
59.01373	15.1
59.32418	1.3
61.98817	2.1
62.10692	1.3
70.27618	1.5
75.47386	1.4
75.47950	1.2
80.51369	1.4
87.89291	1.5
91.05940	1.6
99.27229	1.5
102.64146	1.5
119.17679	1.6
191.05504	3.1
220.57542	1.5
409.31512	1.8
464.33713	1.6
485.32748	21.4
487.34302	91.9
488.34656	29.6
506.65387	1.9
545.30145	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	545.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43325	0.3
51.35275	0.3
53.09153	0.3
55.01878	3.7
57.03437	3.5
57.45593	0.3
58.00586	0.6
59.01378	100.0
61.98830	2.4
62.83742	0.3
65.27528	0.3
67.01880	0.5
69.03450	0.8
71.01373	21.3
71.05019	0.6
72.99305	0.4
73.02932	5.9
75.00872	0.6
79.34074	0.3
81.03477	0.4
83.01381	5.6
83.05071	0.4
83.48202	0.3
85.02942	14.2
85.06593	0.9
86.00078	0.9
87.00857	3.6
89.02431	3.4
93.03434	6.1
95.01371	1.9
97.02944	1.6
97.06561	2.6
99.00871	3.1
99.62788	0.3
101.02431	14.1
111.00874	1.6
111.04513	0.7
112.01661	0.5
113.02450	8.4
115.03927	0.6
119.03429	0.4
121.10230	0.9
124.01673	0.5
125.02418	1.4
125.09646	0.5
127.03974	0.4
129.01901	0.5
130.82384	0.4
134.03674	0.6
135.04538	0.8
137.02422	0.7
143.03491	1.6
149.04521	0.9
151.00391	0.4
159.02972	0.8
161.04539	3.1
173.04500	1.7
186.06793	1.3
187.07626	0.8
188.81810	0.4
191.05598	17.7
199.04134	0.5
200.04837	0.6
212.08246	0.6
213.18539	2.1
215.07072	3.7
221.90729	0.4
225.18559	0.5
249.87048	0.4
255.06680	0.4
256.07416	2.4
262.96805	0.4
281.24808	0.7
285.04089	0.6
286.04858	0.7
293.24881	0.9
305.24756	2.7
306.55951	0.4
311.26068	0.5
323.25821	0.5
341.26944	3.4
395.24496	0.7
413.25348	0.5
448.10281	0.5
449.28998	2.3
455.30020	0.5
467.30264	6.9
485.31216	21.1
503.32266	25.9
504.33191	0.5
545.20166	1.8
545.33179	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	545.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.9
61.56139	1.1
61.98833	1.7
66.44217	1.2
68.53178	1.4
82.36120	1.4
118.85578	1.3
166.95721	1.3
191.05574	5.3
202.40736	1.4
206.54637	1.4
214.09883	1.4
242.02451	1.6
246.97897	1.4
485.32666	5.6
488.34814	2.5
542.90259	1.5
545.30139	100.0
546.30792	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	545.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.9
61.56139	1.1
61.98833	1.7
66.44217	1.2
68.53178	1.4
82.36120	1.4
118.85578	1.3
166.95721	1.3
191.05574	5.3
202.40736	1.4
206.54637	1.4
214.09883	1.4
242.02451	1.6
246.97897	1.4
485.32666	5.6
488.34814	2.5
542.90259	1.5
545.30139	100.0
546.30792	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	545.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94704	1.3
55.01873	5.0
57.03452	5.8
58.00554	1.9
59.01373	100.0
61.98808	1.8
71.01369	71.7
72.99326	1.5
73.02921	20.2
76.83509	1.1
78.11301	1.2
83.01379	5.2
84.54636	1.1
85.02938	29.4
87.00870	2.5
87.04510	5.3
89.01878	2.8
89.02427	75.4
92.10149	3.0
93.03447	2.3
95.01376	5.3
96.95978	1.8
97.02943	1.4
99.00867	8.0
101.02418	49.9
105.52621	1.3
113.02427	26.3
119.03457	13.6
125.02448	2.3
131.03467	17.1
143.03491	2.9
149.04535	57.1
154.01425	7.7
159.02933	2.0
161.04524	10.3
179.05623	3.2
191.05568	19.1
251.07747	1.5
320.45490	1.4
353.19684	17.9
471.93533	1.6
485.23807	35.7
485.30591	1.4
509.26004	3.1
545.23859	1.7
545.32404	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	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21270	0.5
54.81366	0.6
59.01374	34.7
61.98830	2.5
64.81314	0.6
71.01383	3.5
72.99354	0.5
73.02912	0.6
81.40748	0.6
85.02922	0.6
89.02447	3.0
97.49835	0.6
101.02460	4.2
113.02454	0.9
119.03519	1.0
161.04497	1.1
191.05534	1.1
205.19717	0.6
226.09531	0.6
226.12057	0.6
231.17493	0.8
231.53616	0.7
235.08223	0.7
249.18581	100.0
250.18924	1.3
253.09270	12.5
258.08551	0.7
296.90945	0.6
309.83127	0.6
485.32608	1.3
487.34314	14.3
499.30682	3.5
520.52515	0.7
545.30127	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	545.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.5
59.01375	67.3
61.98831	14.9
67.22188	2.4
71.01372	33.4
72.99340	3.2
73.02967	4.0
80.96515	3.5
85.02950	22.8
87.00863	10.8
87.04506	12.0
88.98828	3.0
89.02428	23.3
93.03453	27.6
96.96025	5.0
101.02451	15.7
102.19306	2.5
102.43150	2.5
108.02221	2.5
109.02937	4.5
111.04530	4.7
113.02462	4.1
116.92835	11.9
131.03479	12.6
133.02930	3.3
135.04468	19.3
135.39137	3.2
149.04518	10.3
173.04533	10.1
177.01923	4.3
179.03575	3.9
179.07108	5.6
191.05597	100.0
193.59860	3.0
353.13858	3.6
416.87274	3.3
425.30737	6.8
433.02277	3.4
485.23907	3.5
499.30722	5.6
507.35135	6.5
509.25699	3.2
544.33215	6.5
545.23560	48.7
545.33063	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13634	0.1
51.92496	0.1
55.98010	0.1
59.01375	0.6
61.98810	1.1
67.01881	0.3
71.01379	0.6
73.02899	0.2
78.95893	4.8
79.95722	1.8
80.96502	1.0
82.95385	0.3
85.02934	0.8
88.98769	0.2
93.03438	1.6
94.98068	0.3
96.95991	100.0
96.96888	8.1
99.58543	0.1
100.53338	0.1
111.04475	0.3
132.02214	0.2
135.04459	0.6
137.02377	0.2
141.48615	0.1
161.02348	0.2
163.03926	0.1
173.04485	0.4
191.05585	4.5
192.05907	0.3
276.18839	0.2
449.16083	0.2
545.19977	0.3
551.73492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63462	2.9
59.01375	100.0
61.98833	19.3
64.33097	3.1
64.95048	2.6
71.01366	48.8
73.02950	12.0
80.96510	5.0
83.01404	3.3
85.02945	39.8
87.00865	6.9
87.04523	12.9
89.02437	46.6
91.98778	3.0
93.03442	28.9
96.95959	4.5
101.02425	35.3
109.02921	4.2
113.02448	18.4
119.03468	6.8
125.02491	3.6
127.04085	3.1
129.56459	2.9
131.03491	5.6
135.04504	7.3
149.04509	36.5
157.39970	2.8
160.01552	4.1
161.04530	4.2
173.04477	4.6
175.04008	4.6
191.05600	81.6
215.07159	6.0
256.07474	5.7
353.13757	4.2
353.19608	3.8
428.84283	3.5
485.23862	19.9
509.25882	6.3
545.23450	30.6
545.31665	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	545.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97806	0.3
55.01886	0.7
56.54183	0.3
57.03460	0.5
59.01370	3.2
60.99316	0.7
61.98825	3.4
68.99554	0.6
71.01368	3.1
72.99287	0.9
73.02953	0.5
74.67810	0.3
83.01389	0.7
83.05023	0.3
85.02940	4.1
87.00862	0.8
88.98782	4.8
89.02439	0.5
93.03431	2.9
96.95994	1.7
101.02410	0.6
108.02163	60.0
109.02941	12.5
111.04461	0.4
113.02452	1.9
115.07629	19.5
119.04990	0.6
121.02938	2.5
123.04510	0.5
127.04023	0.5
133.02930	1.5
134.03755	0.7
135.04512	6.3
137.02403	0.9
151.04001	0.7
152.01140	100.0
153.01926	2.6
161.02435	2.2
161.04559	0.5
163.04033	2.6
173.04544	1.9
175.04005	0.4
177.01932	0.8
179.03488	1.7
181.05023	0.7
191.05608	18.7
193.05038	2.0
207.03012	0.4
274.11932	0.4
315.07227	0.5
345.22913	0.4
353.08978	0.4
390.62799	0.4
429.10391	8.5
447.11545	2.0
458.17865	0.4
460.95126	0.4
545.18829	60.8
545.71069	0.5
546.19348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95294	0.6
59.01369	5.7
61.98819	2.6
67.01894	0.8
71.01388	3.1
72.06831	0.8
72.99293	6.1
73.02932	0.7
78.95896	0.8
79.12157	0.6
81.03452	0.8
83.01405	0.9
85.02938	11.7
87.00854	5.9
93.03423	13.0
96.95985	22.6
101.02429	0.8
109.02950	1.6
111.04523	3.2
113.02402	1.3
115.00360	1.2
123.04480	3.0
127.04009	3.2
135.04501	7.9
149.06075	4.4
151.53011	0.7
161.02434	2.3
163.03922	0.9
167.97249	0.8
173.00699	0.6
173.04555	5.8
175.02483	0.8
175.03902	0.7
179.03493	3.9
191.05595	100.0
192.05943	1.6
197.04543	8.6
219.02806	0.9
237.04002	1.2
337.05496	1.4
353.08704	2.4
368.44376	0.7
371.09720	2.7
467.68286	0.8
499.11014	1.1
529.12482	1.0
545.15045	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	545.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.1
60.99308	0.5
67.01886	2.7
69.03460	0.5
71.01396	2.0
73.02960	0.6
81.03455	0.5
83.01379	0.4
83.05009	0.5
85.02946	16.3
87.00868	6.8
93.03445	20.4
95.26324	0.3
96.95995	12.9
99.00851	0.6
99.04556	0.4
109.02952	1.4
111.00854	3.1
111.04507	3.7
117.71878	0.3
127.04026	4.2
129.01872	0.4
133.02971	0.5
135.04509	17.2
153.05502	0.4
155.03487	1.3
161.02513	0.6
171.02966	0.8
173.04541	9.7
179.03462	7.6
191.02007	2.4
191.05609	100.0
192.05864	0.6
220.08167	0.4
300.23917	0.4
353.08792	31.5
499.89380	0.5
545.15149	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	545.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72839	0.4
59.01390	2.0
60.99321	0.4
62.61362	0.4
62.80754	0.4
67.01884	3.6
69.03473	0.4
70.37991	0.4
71.01394	2.8
79.50194	0.4
80.90223	0.4
81.03467	1.1
83.05052	0.7
85.02954	9.9
87.00869	5.4
93.03441	21.1
96.96022	1.0
99.04521	0.7
105.03449	3.2
107.05047	0.9
107.25561	0.5
108.02218	0.4
109.02940	6.0
111.00862	0.7
111.04498	3.7
117.03503	0.5
121.02988	0.7
123.04501	1.0
126.90359	0.5
127.03959	3.1
133.02939	27.8
134.03726	7.8
135.04500	21.5
137.02454	4.7
139.04021	1.9
149.02348	0.5
150.03271	1.0
151.03995	1.0
151.11137	0.4
155.03494	0.6
160.01703	0.5
161.02411	13.6
171.02972	0.7
173.04526	8.4
177.01898	6.0
178.02663	1.9
179.03465	6.6
191.05602	100.0
192.05983	0.6
193.05035	46.5
195.18199	0.5
215.05608	10.5
218.00278	0.5
254.65868	0.6
307.08298	1.7
324.26007	0.5
351.07205	15.3
353.08987	4.4
371.07990	0.6
545.12988	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	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01375	12.8
60.99308	3.0
61.98829	24.0
67.01909	4.2
68.28255	0.5
69.03477	0.7
71.01383	5.3
71.65228	0.5
73.02977	0.6
75.00887	1.0
80.91692	3.2
80.96502	0.7
81.03471	2.7
83.01376	0.9
83.05059	1.1
85.02956	11.1
87.00885	6.4
88.98796	11.9
89.02427	1.3
91.05557	0.7
93.03448	24.4
94.03806	1.1
95.05044	0.6
96.95995	9.2
99.00887	0.7
99.04509	1.0
101.02428	1.1
105.03484	1.2
107.05039	1.1
108.02180	0.7
109.02954	4.8
111.04498	5.6
113.02413	1.1
115.92028	0.9
116.92848	1.3
119.05005	0.6
121.02959	1.3
123.04530	3.1
125.02441	0.7
127.03994	1.3
128.90096	1.2
129.01895	0.9
132.21231	0.6
133.02940	20.5
134.03717	7.2
135.04512	65.1
136.04805	1.3
137.02425	6.2
150.03152	1.2
151.04063	1.3
155.03487	0.7
159.04543	1.1
160.01656	0.7
161.02451	10.7
173.04567	9.4
173.05934	1.9
175.04045	0.7
175.07544	0.6
177.01920	6.1
178.02657	0.9
179.03476	42.5
180.03767	2.3
181.03961	0.8
183.13838	0.8
187.07516	0.7
191.05602	100.0
192.05962	3.5
193.05043	35.0
199.45805	0.6
201.05482	0.9
213.05556	0.7
215.05489	7.0
215.07352	0.8
216.07874	1.2
241.05029	2.3
267.06342	0.6
268.04007	0.9
285.03937	0.9
295.09732	1.2
321.07813	0.8
321.11191	0.8
327.42325	0.6
327.46204	0.6
339.12448	1.2
341.06799	0.8
351.07150	10.7
353.08911	5.8
353.13095	0.9
383.11465	5.7
448.09802	0.6
450.14661	0.8
482.17130	4.5
507.18890	1.4
513.10382	0.8
545.12659	16.8
545.71069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
59.01381	0.3
65.58559	0.1
67.05785	0.1
71.01372	0.2
73.02953	0.7
79.95724	1.4
83.01377	1.6
85.02947	1.1
87.00851	0.4
93.03436	0.8
95.00464	0.2
96.95989	100.0
99.00873	0.4
108.02158	1.7
109.02930	0.8
127.00370	2.7
152.01126	4.2
163.04045	0.2
173.04613	0.2
178.82329	0.2
178.91571	0.2
189.00417	3.4
191.05608	6.2
353.08929	0.7
360.59323	0.2
396.23541	0.2
447.11438	3.3
545.15204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15322	0.5
57.03451	0.9
59.01377	9.2
67.01907	0.8
71.01366	6.5
73.02948	2.5
75.37856	0.5
81.03436	0.8
83.05030	0.7
85.02939	18.3
85.03414	0.8
87.00883	4.0
89.02425	3.7
93.03439	8.4
96.95995	25.3
101.02436	2.7
108.02159	1.0
109.02955	3.8
111.04499	0.9
111.56125	0.5
113.02437	2.0
118.64124	0.5
119.03482	0.8
121.02937	0.7
123.04566	0.6
125.02453	2.4
127.03996	3.1
135.04492	2.2
137.02446	0.9
145.02948	1.2
146.03706	4.3
147.04536	1.1
150.03163	0.8
151.00423	0.6
153.01891	0.6
154.50955	0.5
157.02924	2.0
158.03717	1.1
159.04482	1.0
161.02419	0.7
161.04619	0.9
165.05605	0.7
171.02922	1.2
173.02380	1.1
173.04538	3.2
175.03955	0.7
179.05617	0.7
181.04987	0.6
185.02455	0.9
191.05615	83.5
192.05899	0.8
201.02040	0.7
209.04173	0.5
209.05988	3.7
211.03865	0.6
213.01988	0.8
221.06039	2.0
223.03951	0.7
224.04771	1.0
229.01425	14.7
233.06364	0.6
237.05522	3.5
238.06358	4.8
240.04311	1.1
248.04790	1.2
249.05536	7.6
250.06381	3.5
252.04309	3.2
265.05063	19.8
266.05826	59.2
267.06561	7.3
269.04523	0.8
276.04239	2.0
277.05026	5.5
279.02966	1.1
281.08188	23.5
283.09787	0.9
293.04599	8.9
294.05383	14.6
295.05841	1.0
299.09219	0.9
305.17575	2.6
308.06912	0.9
309.07681	18.0
311.05630	0.7
319.02533	0.6
325.07193	0.7
338.04440	2.4
339.04788	0.7
353.06665	100.0
354.07074	2.0
365.10312	1.0
371.07391	0.7
380.96042	0.6
396.07748	0.5
429.17697	0.8
485.23801	0.7
545.13165	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	545.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23641	0.1
51.36664	0.1
52.44160	0.1
59.01382	1.5
65.04407	0.1
67.01889	0.2
71.01376	1.1
73.02950	0.2
73.08505	0.2
78.95895	0.3
79.95733	1.4
80.25043	0.2
81.82640	0.1
82.95417	0.2
83.05027	0.2
85.02932	2.1
85.25179	0.1
87.00879	0.7
89.02422	0.4
93.03435	1.7
96.95995	100.0
101.02420	0.7
109.02935	1.2
111.04510	0.2
113.02422	0.2
119.03522	0.2
121.02930	0.2
123.04493	0.6
125.02420	0.4
127.04003	0.3
128.13535	0.2
133.02908	0.6
135.04501	2.2
137.02454	0.2
139.11209	0.2
141.95197	0.2
151.03934	0.3
161.02435	0.6
173.04518	0.4
175.03949	0.3
177.01909	2.1
179.03502	1.2
181.51151	0.2
183.10249	0.4
187.03944	0.2
189.01897	0.4
191.05602	13.1
191.07361	0.4
192.05894	0.7
193.04996	0.2
215.03438	0.2
239.57324	0.2
265.05072	0.7
267.06558	0.2
280.52676	0.2
309.04041	0.2
325.11279	0.8
327.04874	0.2
339.05127	0.3
343.12454	0.2
353.06528	0.3
447.09439	0.2
460.08325	0.2
509.22104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
79.95724	1.7
82.69527	0.1
82.95403	0.3
85.02952	0.2
89.02453	0.1
93.03455	0.7
96.95992	100.0
111.04488	0.1
113.02415	0.2
126.70814	0.1
128.19342	0.1
128.76646	0.1
133.02911	0.3
145.02934	0.3
191.05626	1.6
229.11937	0.1
285.03943	0.2
286.17651	0.1
297.04019	0.2
299.05511	0.5
327.05103	2.1
357.06155	0.3
406.74625	0.1
447.09363	1.2
545.05585	0.2
545.13000	0.6
566.10699	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	545.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23641	0.1
51.36664	0.1
52.44160	0.1
59.01382	1.5
65.04407	0.1
67.01889	0.2
71.01376	1.1
73.02950	0.2
73.08505	0.2
78.95895	0.3
79.95733	1.4
80.25043	0.2
81.82640	0.1
82.95417	0.2
83.05027	0.2
85.02932	2.1
85.25179	0.1
87.00879	0.7
89.02422	0.4
93.03435	1.7
96.95995	100.0
101.02420	0.7
109.02935	1.2
111.04510	0.2
113.02422	0.2
119.03522	0.2
121.02930	0.2
123.04493	0.6
125.02420	0.4
127.04003	0.3
128.13535	0.2
133.02908	0.6
135.04501	2.2
137.02454	0.2
139.11209	0.2
141.95197	0.2
151.03934	0.3
161.02435	0.6
173.04518	0.4
175.03949	0.3
177.01909	2.1
179.03502	1.2
181.51151	0.2
183.10249	0.4
187.03944	0.2
189.01897	0.4
191.05602	13.1
191.07361	0.4
192.05894	0.7
193.04996	0.2
215.03438	0.2
239.57324	0.2
265.05072	0.7
267.06558	0.2
280.52676	0.2
309.04041	0.2
325.11279	0.8
327.04874	0.2
339.05127	0.3
343.12454	0.2
353.06528	0.3
447.09439	0.2
460.08325	0.2
509.22104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68594	0.2
59.01373	100.0
61.98831	3.6
64.33285	0.3
71.01378	0.3
85.02946	1.3
87.00872	0.4
93.03417	0.7
97.37267	0.3
109.67157	0.4
113.84057	0.3
135.04483	0.4
137.17596	0.3
173.23000	0.3
191.05609	5.5
227.03384	0.4
251.05733	0.3
267.02829	0.3
295.02496	5.0
296.03070	1.6
323.01849	1.7
352.98727	0.3
483.30969	0.6
543.12885	2.0
543.33990	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3324
Annotation	Luvungin A
Peak:m/z	Relative Intensity
50.14904	0.9
50.16971	0.9
54.41578	0.7
59.01376	16.3
71.05009	2.1
72.50537	0.8
72.99297	19.4
78.13954	0.9
82.95412	1.3
92.66219	0.8
93.38504	1.1
94.09821	1.0
99.72060	1.0
115.16030	0.8
115.23907	0.9
118.14822	0.8
120.56541	0.9
131.54877	0.9
142.34650	0.9
158.30103	1.1
191.05595	1.2
209.44273	0.9
427.32196	1.4
451.32605	1.9
469.33423	1.3
483.31216	1.9
485.32742	1.9
525.32147	10.1
543.33508	100.0
544.33984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.1
59.01380	100.0
59.28651	1.5
61.98841	1.9
80.99191	1.8
82.95423	2.7
92.10093	1.8
145.02901	2.9
191.05646	3.3
423.29056	7.1
439.32327	15.2
453.33768	11.4
469.33264	22.0
471.34662	29.4
483.31213	11.1
485.32648	2.7
505.34576	6.9
515.33716	18.3
530.97394	1.8
543.28149	9.9
543.34113	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	544.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35941	0.2
59.01168	0.2
59.01384	3.1
61.98825	100.0
63.51054	0.2
67.99229	0.2
71.01374	1.6
73.02950	0.5
85.02934	1.9
89.02426	1.6
89.29484	0.3
93.03437	0.6
96.95993	1.5
101.02419	0.4
108.02140	0.4
109.02948	13.4
113.02413	0.4
131.03426	0.3
153.01933	20.0
177.01955	2.4
187.11205	1.3
191.05646	4.9
192.05968	0.4
350.18848	0.3
365.53320	0.3
382.80936	0.3
481.16995	2.6
545.13397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3325
Annotation	Luvungin A
Peak:m/z	Relative Intensity
56.16219	0.4
59.01376	4.1
61.13010	0.4
61.58960	0.4
62.47885	0.4
71.05012	7.2
73.69291	0.4
76.73185	0.4
83.05014	0.7
97.06567	0.7
124.61465	0.4
208.14452	0.4
387.23297	1.9
389.28625	0.6
391.30038	2.3
417.28058	1.6
419.29581	4.0
423.29083	3.3
435.29291	0.7
451.28757	0.5
453.30185	2.5
455.31650	1.8
465.23511	0.8
465.30133	19.5
483.31195	27.9
484.31689	0.8
485.32840	0.9
493.53680	0.5
513.59979	0.5
525.32239	1.8
543.33337	100.0
544.33740	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	543.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10536	0.4
58.90656	0.5
59.01375	100.0
61.98832	0.5
66.34648	0.4
75.65529	0.4
89.50011	0.6
100.26399	0.6
117.03426	0.6
118.56994	0.5
119.05022	2.2
145.02925	8.8
163.03935	1.8
183.13736	0.6
191.05621	3.0
248.20398	0.5
294.11417	0.5
415.24844	1.0
507.29721	8.4
543.33466	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	543.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95479	0.8
59.01385	58.5
62.64971	0.8
86.22110	0.9
92.10760	1.9
98.87243	0.9
107.94893	0.8
117.03447	11.6
118.04248	1.2
119.05007	30.4
121.02966	4.4
145.02940	100.0
161.46124	0.9
163.03984	20.7
178.73860	1.0
183.13910	4.6
191.05595	3.6
209.11826	4.6
216.15894	0.9
248.67656	0.9
269.21231	2.0
287.22113	7.9
362.60614	1.0
374.43265	0.9
415.24921	14.7
421.31113	1.3
433.25784	6.5
507.29605	74.8
543.33191	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31670	0.9
55.01867	1.0
57.03445	89.2
58.00617	1.3
59.01374	100.0
69.03452	0.9
70.53646	0.9
71.01373	32.8
71.01752	1.7
71.56262	0.8
73.02930	29.1
79.05554	1.0
81.03456	2.3
83.01363	9.1
85.02926	7.6
89.02425	23.8
95.01402	1.4
96.57993	1.0
99.04501	48.0
101.02425	40.0
101.10282	1.0
113.02438	15.3
113.06083	1.6
119.03462	7.0
123.04508	9.5
125.02423	26.9
131.03461	1.9
142.35442	1.1
143.03477	4.3
149.04561	2.2
150.25687	0.9
153.05548	1.2
161.04457	7.0
179.05574	6.0
191.05562	7.6
200.39432	0.9
237.60587	1.1
291.79367	0.9
295.02518	2.3
399.23825	7.2
441.25049	1.7
543.12579	1.2
543.27563	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	543.3305
Annotation	Luvungin F
Peak:m/z	Relative Intensity
50.99980	1.7
59.01369	24.0
61.98820	14.8
66.27126	1.8
69.56433	1.8
71.01379	4.0
85.02939	4.2
87.00841	2.6
93.03426	2.6
104.96986	2.3
135.04512	10.5
168.65703	2.0
179.03401	2.9
186.22023	2.5
191.05614	18.0
197.03366	2.2
209.11909	2.3
211.13382	3.3
246.97269	2.6
507.22214	3.7
507.35489	12.6
543.20050	4.4
543.33044	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	543.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85487	1.8
59.01375	57.6
59.01672	2.8
61.14990	1.8
61.98818	20.2
63.45263	1.8
66.92997	1.9
67.01897	2.3
67.32383	1.8
71.01383	11.2
73.02933	2.2
77.17286	2.1
82.95428	4.4
83.05010	4.2
85.02963	12.6
87.00858	11.5
89.02450	2.7
92.63864	2.2
93.03447	20.5
96.96004	4.3
99.04485	2.7
101.02422	3.7
109.02963	4.2
133.02899	15.8
134.03725	2.3
135.04495	16.5
137.02412	4.6
146.03625	2.4
161.02420	2.9
163.03893	2.2
173.04520	11.4
173.09579	2.3
175.07556	2.1
175.53592	3.3
177.01811	3.7
179.03494	4.7
191.05603	51.9
200.04750	2.6
205.72128	2.3
205.74825	2.6
209.11758	35.3
211.03984	5.7
211.13376	31.0
215.05623	5.5
223.03931	3.0
239.03516	5.7
240.04260	3.1
251.03551	2.8
258.85486	2.1
267.03003	19.7
268.03619	10.3
269.04395	2.5
283.02545	2.5
295.02463	100.0
296.03195	34.9
297.03662	4.0
323.01840	22.4
325.03506	12.7
351.07205	17.6
355.38123	2.6
446.06537	2.8
483.29077	2.7
525.11914	11.1
543.12921	50.2
543.32813	41.2
544.13287	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	541.3145
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
50.82814	2.8
52.66927	3.0
52.96516	2.9
57.00385	3.0
59.01377	8.5
63.88284	3.0
71.01350	5.1
77.98273	3.3
78.62453	3.2
88.98789	4.1
101.02436	5.0
104.66084	4.0
104.66881	3.0
249.02274	3.7
505.33862	49.3
541.23016	13.4
541.31329	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	541.3166
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
50.92249	1.5
59.01376	43.6
59.50071	1.6
60.19851	1.4
60.99301	3.6
61.98829	16.8
62.36935	1.7
71.01376	11.0
73.02943	4.3
73.18867	1.6
85.02944	4.3
86.79435	2.0
87.00863	3.4
88.98781	14.4
93.03452	11.3
96.95997	2.8
101.02422	3.9
113.02428	2.4
116.92888	2.4
121.02977	2.1
125.02409	1.9
135.04533	10.2
151.04077	3.2
177.01851	1.8
179.03484	3.1
185.11917	1.8
191.05630	16.1
233.27261	1.9
285.04196	3.2
285.07269	2.0
449.14664	4.4
505.20508	3.1
505.33548	18.2
541.31531	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	541.3149
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.01375	52.1
61.98827	4.8
64.65079	1.7
68.74345	1.8
71.01388	5.5
75.98272	2.0
85.65507	2.0
89.02441	3.5
101.02418	2.8
103.00349	17.4
113.02412	2.2
164.36569	2.1
170.19772	2.1
177.38437	2.4
191.05585	4.7
194.58392	2.5
282.25281	2.5
503.33130	3.1
505.34277	13.7
517.07336	2.3
527.66064	2.6
541.31451	100.0
567.80573	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	541.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30750	1.4
52.34796	1.2
55.36311	1.4
59.01377	100.0
59.01674	3.2
71.65121	1.5
73.09493	1.4
73.39861	1.4
84.27111	1.7
87.27859	1.7
92.10074	3.7
107.57458	1.8
110.49563	1.5
128.74319	1.5
195.68730	1.6
212.49931	1.7
213.04166	1.6
238.78365	1.5
252.75369	1.8
451.28320	10.8
457.33325	2.0
503.33847	57.0
505.34256	13.6
541.31775	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	541.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81696	0.3
59.01376	100.0
61.98833	1.1
63.86276	0.3
71.01385	1.2
71.62634	0.3
73.02956	0.5
76.20610	0.3
77.62801	0.3
78.12031	0.3
79.74245	0.2
82.95410	1.1
85.02950	0.4
87.00864	0.4
88.98794	0.5
89.02462	0.3
89.33157	0.3
92.10878	0.3
93.03441	0.6
95.01319	0.3
96.95988	1.1
101.02436	0.6
107.05006	1.3
109.02931	0.6
113.02456	0.6
120.02155	2.8
123.04512	1.9
124.27057	0.3
125.02446	0.3
134.03709	0.6
135.04509	1.3
137.02399	0.3
138.03212	6.5
139.11275	1.5
153.05559	57.4
160.01645	0.6
161.02382	0.3
161.04517	0.6
173.04536	0.3
175.03946	0.5
177.01891	2.4
183.10211	9.1
191.05632	2.8
262.37927	0.3
327.14404	0.6
343.21432	0.4
449.26871	0.4
466.12720	0.3
541.22906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2417
Annotation	Sapxanthone
Peak:m/z	Relative Intensity
57.93718	2.9
59.01387	16.4
67.01885	4.0
71.01366	13.3
72.99337	3.4
85.02938	8.2
93.03447	16.7
99.75693	3.6
109.02967	5.5
123.04415	3.5
135.04510	7.3
150.03171	3.8
152.80771	3.4
173.04494	5.0
181.04263	3.6
191.05641	35.8
192.05905	4.8
213.67142	3.2
261.74005	4.0
314.03308	3.6
505.26184	5.4
522.66565	4.1
541.24164	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	541.3006
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
50.75942	0.7
54.31894	0.8
59.01377	100.0
61.98832	3.4
66.33258	0.7
71.01376	4.0
73.02958	0.7
78.95903	1.2
85.02938	1.4
89.02437	1.0
93.03440	1.0
101.02447	1.0
119.03487	0.8
191.05606	4.8
245.52461	0.8
296.72339	0.7
319.22678	1.0
334.58759	0.8
415.37683	0.8
425.26062	0.8
432.37665	0.7
481.28085	3.0
503.34067	2.9
505.35379	1.1
523.30768	0.8
541.31055	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	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03441	0.7
59.01375	12.7
60.58152	0.5
60.99290	0.7
61.98828	7.0
69.03452	4.5
71.01372	4.4
73.02946	0.8
81.03442	0.9
83.01382	2.9
85.02945	1.4
87.00862	0.7
88.98795	6.0
89.02426	2.9
92.10211	1.7
93.03438	2.2
95.01367	1.4
96.95974	1.3
97.02940	4.2
101.02434	1.0
107.01401	1.1
108.02203	0.8
113.02383	0.8
119.03481	0.7
121.02950	1.1
123.00853	11.9
124.01631	35.5
125.02416	84.8
125.41367	0.5
134.03780	0.9
135.04485	8.4
137.02437	2.9
141.01675	1.0
149.02464	0.8
149.99568	50.4
151.00323	3.4
161.02393	0.6
161.04445	0.8
163.21518	0.6
165.12816	2.9
167.03424	1.1
168.00618	89.5
169.01399	13.7
171.10280	0.6
179.03497	2.8
183.13867	5.8
191.05562	4.9
196.66638	0.7
197.68633	0.5
221.15393	0.6
226.02710	0.7
231.45807	0.6
241.04887	0.8
243.53227	0.6
313.03262	1.3
317.13931	3.1
328.05914	1.4
331.06818	2.9
343.08383	5.1
449.14490	0.8
503.32596	1.0
505.21179	1.0
523.18042	2.1
541.19257	100.0
541.29626	4.2
542.19592	2.3
569.20154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07080	0.3
58.72692	0.3
59.01386	0.4
71.01356	0.4
71.77263	0.3
85.08484	0.3
85.32363	0.3
88.98813	0.7
92.10165	0.4
108.02177	0.5
109.02950	0.5
120.99632	100.0
127.69920	0.3
135.04559	0.3
145.59966	0.3
152.01118	0.4
153.01895	0.4
175.04012	0.6
181.05003	0.5
191.05626	0.5
192.99507	0.4
241.05368	0.6
255.03011	0.5
348.20761	0.4
403.27533	0.4
449.50626	0.4
494.08609	0.4
541.19159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90276	0.3
52.01657	0.4
57.03431	0.5
59.01376	1.6
65.93445	0.4
67.01878	7.0
71.01372	2.1
72.99323	0.7
73.02980	0.5
85.02947	4.0
93.03462	1.7
96.95987	2.6
97.02896	0.6
99.00887	1.0
101.02444	0.6
106.92345	0.4
108.02161	53.6
109.02946	13.4
109.03694	0.6
111.00863	12.4
111.01590	0.8
111.26801	0.5
113.02458	1.9
116.92844	5.8
119.05003	0.5
121.02951	1.1
123.04531	0.5
135.04533	3.2
136.04834	0.5
137.02409	1.8
137.06061	0.5
151.03992	1.0
152.01135	100.0
153.01959	3.6
162.03175	0.5
163.03999	4.2
172.13234	0.4
172.30002	0.5
177.01917	0.7
179.03438	0.9
181.05022	2.9
182.05704	0.8
183.06607	2.9
191.05592	8.0
217.10826	0.8
224.43243	0.6
227.43243	0.5
429.10358	27.5
541.12048	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67848	2.0
61.98825	100.0
68.79660	2.3
82.19564	2.4
84.00912	12.6
124.36045	2.3
132.57092	2.3
153.72595	2.3
217.21021	2.5
355.52240	2.3
455.35690	30.5
456.35614	5.8
540.33008	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16095	0.4
53.96261	0.3
61.98838	2.5
64.33022	0.4
75.24494	0.4
78.95897	19.4
82.41077	0.4
110.24011	0.5
149.42947	0.4
152.99567	4.2
168.04242	3.9
191.05547	0.7
206.16182	0.4
224.06961	7.5
242.08008	2.2
255.23282	100.0
256.23676	1.5
318.80450	0.5
480.30920	52.4
481.31137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60250	0.7
51.64654	0.6
61.98829	100.0
82.45915	0.7
149.42676	0.8
149.75429	0.9
340.34317	0.9
455.35391	7.5
456.35367	1.5
540.32953	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15929	0.2
54.90290	0.2
56.43170	0.2
61.14859	0.2
61.87083	0.2
71.01373	0.3
74.47173	0.2
78.95889	72.6
80.06876	0.3
87.00875	0.4
96.96944	100.0
166.97519	3.4
168.98160	0.6
184.98549	65.4
191.05609	1.1
284.01871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34678	0.6
54.04752	0.6
54.54149	0.6
59.01371	3.1
59.46510	0.6
60.99304	17.6
61.98825	1.2
71.01365	0.7
85.02962	0.8
88.98792	91.4
95.05033	0.9
96.95997	0.8
108.02157	1.6
109.02941	26.1
109.03715	1.0
119.05017	0.9
121.94357	0.6
123.04522	15.4
133.02921	3.3
135.04527	1.1
147.04510	4.3
149.02414	1.1
151.04021	8.0
160.01598	1.0
161.02412	8.3
175.03915	1.0
177.01912	30.7
187.03957	3.4
189.01918	61.8
190.02705	14.8
191.03525	15.0
203.03539	8.4
216.00581	8.1
217.01408	49.6
217.03552	1.7
218.01956	1.5
219.02974	20.1
231.02953	15.6
232.03670	1.3
233.04559	1.2
289.07129	1.7
323.05484	1.1
341.06671	100.0
342.07028	1.2
357.71356	0.7
407.07886	1.4
440.87408	0.8
451.10361	91.9
452.10748	3.6
541.22235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52906	2.5
54.81824	3.1
59.01375	3.5
61.98840	13.3
71.22820	2.7
71.48250	2.3
105.45940	2.9
188.27066	3.1
191.05524	20.4
241.29900	3.2
256.40469	2.9
297.39258	3.9
298.77173	3.3
453.33670	19.7
471.34882	84.5
539.33624	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	540.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.4
60.01699	0.2
60.99312	0.3
61.98824	100.0
71.01371	1.2
73.02943	0.8
83.01379	0.3
85.02929	0.7
85.45461	0.1
86.03252	0.2
88.98784	1.3
89.02431	0.4
91.68989	0.2
92.10773	0.3
93.03434	0.3
93.04021	0.2
99.00826	0.2
101.02444	0.8
116.92810	0.2
119.16355	0.2
123.04456	0.3
134.03732	0.3
165.05606	0.2
173.04433	0.2
190.38515	0.2
191.05632	1.3
193.05005	0.3
285.03705	0.3
286.04446	0.3
297.59689	0.2
426.17838	0.6
450.09042	0.2
479.23526	0.3
480.24454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53699	1.0
61.98824	100.0
83.11353	1.0
92.74950	1.1
100.65884	1.0
191.05469	1.1
455.35513	12.5
540.33105	58.1
541.34009	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	539.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	17.3
59.16314	1.7
61.98829	19.1
85.02950	2.8
160.25833	2.0
191.05603	15.7
199.71248	1.6
217.00252	2.3
421.31082	9.9
485.32666	9.0
501.31885	9.8
503.33841	100.0
529.72473	2.0
539.32159	13.5
539.75177	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32918	2.4
59.01377	4.2
61.98840	13.2
64.33356	2.3
78.95922	2.8
79.78239	2.2
85.02998	3.1
106.06494	2.5
109.47586	2.8
111.72010	2.3
132.79271	2.5
149.04736	2.6
158.10585	2.2
158.87236	2.3
164.57161	2.7
191.05603	14.6
249.51585	2.6
270.70880	2.5
356.25507	3.0
439.32327	30.7
457.33185	88.2
471.34677	17.1
474.67358	2.7
539.33527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58308	1.8
61.98833	4.4
78.95907	2.8
80.03763	1.8
82.85533	1.9
97.72171	2.1
99.41579	2.0
104.93525	1.8
120.76605	2.1
141.23564	2.1
146.49371	2.0
186.93221	2.0
324.31827	2.1
395.33026	7.2
439.32224	10.3
457.33319	39.3
463.08362	2.3
471.34830	94.6
471.44968	2.8
472.36096	2.5
539.33533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.0
61.98825	9.3
71.01397	2.2
78.95896	2.0
83.01431	1.3
85.02938	2.4
93.03436	1.9
99.75796	1.5
110.15688	1.5
147.71402	1.4
156.50710	1.9
168.88495	1.6
191.05647	14.9
192.05899	2.3
198.06821	1.5
240.44052	1.6
241.81981	1.7
421.31168	10.8
455.31754	2.2
479.28415	2.4
485.32553	10.4
501.32404	14.7
503.33829	100.0
504.33981	3.1
539.31018	7.5
539.74811	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	539.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27649	0.4
54.66136	0.4
58.00605	0.8
59.01371	2.0
61.98820	4.3
62.12496	0.4
63.14227	0.5
66.74654	0.5
93.03462	0.5
96.95990	1.2
133.12115	0.5
191.05583	2.2
216.99915	0.6
386.14621	0.6
423.32645	0.9
429.33563	0.8
457.33246	14.5
467.31686	1.2
469.33231	15.1
485.32932	0.7
501.32132	4.7
503.33789	100.0
504.34045	2.5
539.31378	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	539.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62225	1.9
59.01389	3.9
61.98828	17.7
65.29829	2.2
71.05142	2.3
76.26920	2.0
93.03455	2.7
184.09572	2.1
191.05527	4.8
316.40002	2.2
339.14963	2.1
391.30225	4.0
411.32770	3.6
441.33960	10.0
453.30258	3.4
457.32904	4.8
473.32767	3.4
483.30862	8.4
485.32773	4.1
501.32208	81.4
503.33673	100.0
539.31085	8.8
555.93811	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	539.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72445	0.4
50.92413	0.5
55.01881	3.0
57.03447	1.4
58.00587	0.6
59.01379	38.0
59.46428	0.5
60.20726	0.5
60.99317	2.3
69.03464	1.0
71.01379	36.8
72.37436	0.5
72.99322	0.7
73.02937	14.8
73.95222	0.5
75.00893	2.1
80.33107	0.6
81.03485	0.6
83.01385	5.7
85.02952	14.7
87.00878	3.6
88.98800	15.5
88.99353	0.6
89.01878	1.3
89.02438	39.2
93.03436	4.9
95.01379	2.2
96.96021	1.4
97.02951	3.3
99.00869	11.6
100.55001	0.6
101.02429	32.0
109.02940	0.7
111.04540	1.3
113.02446	13.5
115.03979	4.7
119.03451	5.7
125.02425	5.8
127.03994	0.8
129.01987	0.8
131.03500	4.4
135.04567	1.0
143.03534	2.1
149.04527	7.1
159.02968	2.4
161.02425	2.6
161.04523	9.1
173.04562	2.4
191.05614	18.4
192.05901	0.9
233.06602	3.5
237.25177	0.6
283.06235	0.6
293.08862	0.9
347.17017	14.5
435.58252	0.6
477.69843	0.6
479.21313	100.0
480.21414	1.4
507.09738	2.3
539.12451	1.1
539.21735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.2
61.98828	5.2
65.33543	0.9
71.01369	0.9
75.52015	1.0
85.02941	1.4
111.31059	0.9
126.31468	0.9
127.39928	1.0
132.46635	0.9
132.75049	0.9
191.05634	7.8
254.32251	1.0
379.92963	1.1
406.33844	1.1
429.33643	1.4
440.04279	1.2
441.33765	5.6
473.32712	64.9
474.33102	1.7
485.32846	1.8
501.32288	8.7
503.33780	100.0
504.33783	1.1
539.31708	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	539.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03448	0.6
59.01374	100.0
60.99305	0.6
61.98827	0.6
66.79727	0.4
71.01370	15.5
72.99261	0.4
73.02928	7.0
83.01376	3.6
85.02932	8.1
87.00852	0.6
87.04504	0.8
88.09046	0.4
88.98778	5.8
89.02426	10.8
93.03457	1.9
95.01373	2.0
95.22748	0.4
99.00864	1.7
101.02418	13.8
101.06065	0.6
103.44351	0.3
108.93380	0.3
110.58789	0.3
111.00880	0.5
113.02451	6.6
119.03479	3.6
119.04980	0.5
121.02979	0.4
122.16363	0.3
123.04493	0.9
124.01594	0.6
125.02438	0.9
135.04495	0.6
139.03992	0.5
143.03444	0.7
149.04501	0.4
161.04578	3.2
164.04753	0.5
164.98257	2.5
165.05518	0.7
167.03467	1.6
179.05547	0.5
180.00636	1.9
191.05557	5.4
195.03029	0.7
211.13292	0.5
226.62361	0.4
255.19696	0.8
381.22583	0.6
399.23831	15.3
417.24942	14.2
459.26105	12.1
472.65848	0.4
479.24576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83107	0.2
59.01381	1.5
60.99306	0.4
61.98818	0.8
63.96239	0.3
66.35374	0.2
67.01906	0.2
71.01379	1.3
73.02934	0.3
73.53654	0.2
74.99052	0.2
75.00860	0.2
76.56313	0.2
81.03474	0.2
85.02950	1.3
86.07203	0.2
87.00883	0.7
88.98811	0.7
89.02436	0.8
93.03439	2.1
96.95998	1.0
98.50050	0.2
99.00880	0.3
101.02410	0.5
108.81887	0.2
113.02423	0.4
120.68974	0.2
120.99629	100.0
125.02387	0.2
127.04048	0.3
135.04506	1.3
152.07216	0.3
153.01930	0.7
160.01678	0.3
160.31784	0.2
161.02437	1.0
161.04616	0.2
165.01874	0.2
173.04538	0.9
175.03900	1.1
177.05605	0.4
179.03450	1.2
191.05602	9.6
192.99620	2.2
194.05690	0.3
208.01958	0.3
211.04349	0.5
223.04372	0.7
226.03015	0.2
241.05319	2.1
253.39674	0.2
346.64468	0.2
353.08588	0.4
403.82928	0.2
503.24805	1.7
539.14514	0.4
539.22455	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	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
57.03447	2.2
58.00611	0.8
59.01376	23.9
69.03469	0.5
71.00990	0.6
71.01373	16.4
72.99303	0.5
73.02924	8.1
75.00868	0.5
83.01381	6.1
85.02937	12.5
86.00099	0.6
87.00874	2.2
88.98795	1.2
89.02432	4.6
91.97756	0.5
92.10057	0.9
93.03432	3.6
95.01389	2.2
99.00874	3.2
101.02415	17.8
101.03031	0.8
107.05053	1.0
108.02169	0.6
109.02953	0.7
111.00864	0.8
113.02405	5.3
119.03492	0.9
119.50952	0.5
120.99662	1.1
121.02938	7.5
122.03722	7.0
132.02147	1.0
133.02936	9.9
134.03703	3.4
135.04468	6.1
136.01692	0.7
138.55302	0.5
147.04440	1.0
149.02423	52.9
149.06062	3.2
150.03204	64.5
159.02933	0.8
164.04752	8.5
165.05547	38.4
166.06348	6.8
167.07077	2.5
180.04286	2.8
181.08665	7.4
191.05560	2.4
195.06604	9.1
208.65555	0.5
221.06050	0.5
270.08942	0.7
283.09775	2.0
314.11557	7.0
315.12317	2.3
329.10352	0.9
329.13980	15.4
343.14014	9.3
414.88080	0.5
418.96994	0.7
449.09897	1.9
491.19217	100.0
492.19714	3.1
539.21283	20.5
540.21613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.65088	0.6
56.15496	0.6
57.03446	1.4
59.01376	100.0
60.99307	7.5
61.98832	1.5
71.01378	19.8
73.02933	7.8
74.51753	0.5
77.45127	0.6
83.01404	3.2
84.95129	1.3
85.02946	10.2
87.00935	0.7
87.04515	1.6
88.98797	33.9
89.02438	8.9
93.03443	5.3
95.01378	2.6
99.00877	0.7
101.02428	14.3
101.06070	1.3
109.02934	1.1
111.00869	0.9
112.82378	0.6
113.02439	9.0
119.03474	3.5
125.02438	0.9
135.04518	1.2
136.01666	0.7
137.02457	4.5
138.02798	1.2
143.03508	0.8
151.04044	0.9
153.28236	0.7
159.03043	0.9
161.04550	3.5
179.05609	1.0
191.05586	5.8
219.06679	0.7
255.19620	1.3
300.38110	0.7
381.22766	1.3
399.18613	0.8
399.23831	22.4
417.24988	15.2
449.14426	1.0
457.28244	0.8
459.26065	8.3
479.31906	3.0
489.71277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27430	0.2
58.62701	0.2
59.01087	0.2
59.01385	1.4
61.98840	0.2
62.08783	0.2
62.75449	0.2
71.01379	0.5
77.52563	0.2
85.02997	0.3
87.00896	0.2
88.98794	0.3
89.02431	0.4
93.03441	1.5
96.77568	0.2
96.95994	1.1
101.02460	0.3
114.56554	0.2
120.99633	100.0
135.04515	0.5
148.67889	0.2
153.01903	0.4
160.01558	0.4
161.02446	0.5
175.04001	1.2
177.05576	0.4
179.03482	1.0
180.99637	0.4
188.14044	0.2
191.05582	4.4
192.99596	2.0
195.06517	0.3
196.02061	0.3
208.02003	1.0
211.04340	0.4
223.04373	1.2
241.05318	1.9
339.05222	0.3
503.25189	0.8
514.26672	0.3
539.22369	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	539.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
60.99303	18.6
65.00321	1.0
71.01363	0.2
83.01380	0.6
85.02946	0.4
88.98791	100.0
93.03434	1.3
107.01365	2.4
107.21110	0.2
114.79795	0.3
123.04533	0.4
125.02408	0.3
130.67488	0.2
134.03705	0.5
135.03513	0.5
135.04509	12.8
136.01614	0.3
136.04935	0.2
149.05974	0.4
149.85651	0.2
151.00352	17.2
151.03915	0.4
173.04491	0.4
191.05605	3.6
205.47777	0.3
208.81204	0.3
219.35918	0.3
254.73795	0.3
287.05591	11.8
301.83850	0.2
313.89603	0.3
449.04605	0.5
449.10883	14.4
485.45425	0.3
557.01288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50240	0.2
57.03456	0.7
59.01383	3.2
60.55424	0.3
60.99303	7.0
65.03943	0.3
67.01881	4.8
69.03470	1.8
71.01377	2.9
73.02929	0.4
75.00888	0.3
76.85931	0.3
81.03477	1.5
83.05036	0.6
85.02943	7.4
85.03415	0.4
87.00864	9.4
88.98792	23.4
93.03439	35.3
96.96033	0.6
99.00866	0.4
105.52264	0.3
109.02957	0.7
110.00086	0.6
111.00897	0.3
111.04494	5.2
113.02455	1.1
127.04014	2.1
129.01932	0.6
134.03688	0.4
135.04501	4.6
137.02426	0.3
137.99582	0.4
140.22586	0.2
146.62303	0.3
153.01962	2.8
155.03493	1.8
157.06500	0.5
160.64316	0.3
161.02429	0.4
167.29248	0.3
169.06555	0.4
172.05251	0.6
173.04532	15.2
182.05844	1.3
185.05952	0.5
187.07645	11.3
191.05603	100.0
192.05933	1.4
197.08015	0.3
199.04041	0.7
204.04428	0.4
213.09215	1.3
215.07175	2.1
227.03448	1.9
228.04196	1.7
257.08191	11.3
265.48544	0.3
365.08652	1.6
435.13626	0.3
449.14499	5.8
539.14050	16.4
539.22174	0.5
539.33478	0.3
540.13629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77420	0.2
59.01380	9.6
59.63240	0.2
60.01709	1.7
61.01807	1.1
61.98832	100.0
67.01904	0.2
67.60761	0.3
76.37901	0.2
81.91362	0.2
85.02928	0.4
92.10113	0.4
93.03442	0.5
115.91899	0.2
121.23638	0.2
121.81052	0.2
156.30530	0.3
163.92514	0.2
174.99168	0.2
184.37349	0.2
191.05583	3.5
192.05968	0.5
202.12340	0.2
283.13416	0.5
321.84808	0.2
399.65225	0.5
440.12872	0.3
458.33743	0.2
502.32504	2.0
503.34039	0.4
537.75848	0.3
538.26001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47196	0.1
53.29117	0.1
56.24643	0.1
71.01360	0.7
72.42451	0.1
76.24715	0.1
78.95889	100.0
79.73919	0.1
85.02969	0.2
91.21300	0.2
92.10822	0.4
93.03432	0.7
96.96010	2.1
96.96929	0.7
133.01346	0.2
137.02428	0.2
148.96404	0.3
150.97035	0.9
156.79822	0.2
166.97491	22.7
168.98105	1.5
191.05618	3.3
193.06010	0.2
195.06590	0.3
371.09631	0.8
492.23972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21398	0.5
59.01373	0.8
72.29795	0.5
101.33753	0.6
160.57594	0.5
175.27751	0.6
209.64153	0.5
217.13370	0.6
233.72888	0.7
406.02917	0.6
455.35303	100.0
456.35727	2.6
537.35614	48.7
538.35931	0.9
548.59418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54763	0.5
83.57372	0.5
90.06044	0.6
92.10101	2.6
166.70241	0.8
189.06871	0.6
191.19737	0.6
209.97122	0.8
212.67928	0.6
222.28075	0.6
237.48476	0.6
396.02521	0.7
455.35284	100.0
456.35468	1.3
468.98706	0.7
537.35571	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
71.67704	0.5
75.96442	0.4
95.43132	0.6
158.38953	0.5
191.05406	0.7
327.22046	0.6
355.90714	0.6
455.35287	100.0
456.35620	2.3
537.35638	51.2
538.36359	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	537.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33198	1.6
53.77660	1.5
59.01391	1.6
66.03907	1.6
71.78494	1.6
86.22269	1.9
109.06573	10.1
161.09694	2.7
163.11276	7.8
189.09291	2.3
207.10248	23.9
208.52080	1.7
216.74178	1.9
225.11250	8.3
255.23286	100.0
365.25964	1.7
391.98853	2.1
434.33951	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04571	3.9
55.46679	4.2
59.01376	100.0
59.97631	4.2
61.98822	74.5
70.12149	4.3
71.01375	21.6
71.07783	4.4
83.05009	8.6
85.02960	11.8
89.02423	6.7
92.10075	12.4
93.03423	10.2
96.96041	5.5
97.57521	4.9
101.02428	12.4
191.05606	45.0
195.13843	5.2
204.36555	5.1
219.58459	5.1
230.66260	4.8
315.19504	6.1
316.45749	6.0
433.56073	5.7
501.32193	60.3
537.27991	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	14.1
71.01376	11.8
71.05027	9.5
78.82166	6.6
79.59747	4.8
83.13683	5.0
85.02953	7.2
87.57731	5.3
89.02460	7.2
101.02494	7.7
125.04159	5.8
191.05594	28.3
385.27322	13.3
402.17581	7.3
499.30548	7.3
501.32227	82.6
537.28180	67.0
553.35870	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	537.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10710	0.6
63.53863	0.7
66.63461	0.5
110.23019	0.7
157.81779	0.7
191.05559	0.9
363.27020	3.2
377.28751	1.5
379.30081	5.6
385.82309	0.8
391.29895	2.6
409.31134	24.7
425.30716	0.9
427.32327	2.4
453.30215	9.9
455.31543	3.4
471.31427	4.6
483.31232	1.1
501.32233	100.0
502.32452	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	537.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98820	8.0
62.54816	3.2
70.42651	2.7
71.04983	5.2
74.63954	3.1
84.02040	3.2
84.29585	3.0
92.63767	4.2
99.78264	2.9
105.99646	3.2
130.20712	3.1
191.05566	16.3
241.21602	4.5
409.30896	5.6
451.32150	50.3
469.33157	88.4
537.24023	4.3
537.31989	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58384	0.3
53.25276	0.4
55.01878	6.6
57.03449	3.8
58.00587	1.6
59.01375	45.3
61.98818	0.4
67.01897	0.4
69.03471	0.9
71.01370	51.9
72.99298	3.0
73.02936	15.8
75.00872	0.8
81.03438	0.8
82.95421	0.6
83.01382	10.7
84.95115	3.2
85.02943	30.4
87.00856	3.3
87.04505	1.0
88.98788	1.0
89.02433	16.9
89.05470	0.4
93.03459	1.8
95.01364	5.1
96.95994	2.8
97.02928	2.1
99.00875	7.5
100.70474	0.5
101.02431	37.1
106.92101	0.4
109.02977	1.0
111.00860	0.7
113.02441	23.4
114.56871	0.5
116.92842	2.3
117.92848	0.5
119.03506	4.3
119.05006	0.5
123.04497	0.7
125.02437	8.4
129.01912	0.5
131.03423	0.7
135.04550	0.6
135.71625	0.4
139.04010	0.5
143.03467	1.8
149.04555	0.7
159.02951	3.2
161.04544	12.6
163.03867	0.5
163.26421	0.4
164.17368	0.4
165.12912	0.5
167.03529	0.5
169.01402	8.1
172.79616	0.4
183.14052	0.5
185.11772	0.5
191.05591	6.9
193.05074	0.6
201.14946	0.7
209.04468	0.6
221.06531	0.8
222.58640	0.5
285.03931	0.6
315.18134	9.2
335.17227	3.9
345.19241	3.4
357.09808	1.6
375.27533	0.6
387.10797	1.8
405.26590	0.6
407.26907	1.6
417.11841	0.8
457.24466	0.5
477.23401	100.0
478.24005	1.8
506.31873	2.0
507.32352	3.3
536.32947	2.6
537.21246	1.7
537.33173	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01639	0.5
55.01878	6.9
57.03446	3.5
58.00588	0.9
59.01376	45.4
61.98830	0.4
62.84903	0.3
63.21460	0.3
69.03449	0.5
71.01369	52.4
71.57938	0.4
72.98641	0.4
72.99301	2.0
73.02934	17.7
75.00861	0.7
83.01376	12.0
85.02939	26.7
87.00851	3.5
88.98780	0.8
89.02433	13.1
89.02966	0.8
92.10829	0.9
93.03434	0.6
95.01379	4.3
97.02920	1.9
99.00867	6.7
100.41689	0.4
101.02425	40.7
111.00927	1.3
112.01766	0.3
113.02437	24.3
114.84161	0.4
119.03497	4.1
119.04990	2.0
123.77238	0.4
125.02427	1.9
129.01923	0.5
130.86336	0.3
131.03564	0.6
133.02780	0.4
143.03493	2.6
159.03004	4.1
161.03284	0.6
161.04543	15.2
163.03973	0.9
179.05573	0.9
191.05580	2.2
221.06625	0.6
227.07140	0.5
230.42697	0.4
268.48410	0.4
280.65021	0.4
295.10632	0.4
315.18137	8.3
333.11340	0.8
375.12393	1.7
461.19284	0.6
477.23413	100.0
478.23898	2.9
505.18079	1.6
537.32452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.2
57.03458	0.2
59.01374	5.8
60.99300	5.5
61.98834	1.3
63.82040	0.2
63.99263	0.2
65.00309	0.3
71.01367	3.2
71.01694	0.2
72.99340	0.2
73.02953	1.2
75.15858	0.2
78.91873	1.6
83.01368	0.7
85.02930	2.2
87.00883	0.2
87.51663	0.2
88.98791	21.9
89.02419	3.0
93.03468	0.3
99.00899	0.3
101.02422	2.3
107.01388	1.2
113.02431	1.5
116.92888	0.9
119.03487	0.3
121.02969	0.3
125.02446	0.2
131.03505	0.2
133.02925	5.9
135.04549	0.2
149.02502	1.6
149.04530	0.8
151.00359	5.1
167.29402	0.2
175.03963	2.3
176.04384	0.3
181.44629	0.2
191.05611	2.7
199.04001	2.3
201.01938	0.8
203.12573	0.2
204.38654	0.2
213.05664	0.4
215.03459	0.3
217.05083	1.6
237.92256	0.2
241.05093	1.0
243.02979	0.9
256.03662	2.1
257.04434	0.2
266.30264	0.2
267.02991	0.2
284.03268	3.8
285.04034	100.0
286.04431	1.3
359.20749	0.3
363.20264	2.0
375.20276	1.3
447.09332	40.2
448.09665	0.7
466.61676	0.2
474.62186	0.2
477.23438	0.3
479.28540	0.7
491.24960	0.3
520.66217	0.2
537.21234	0.7
537.32843	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33421	0.4
50.78682	0.4
55.76856	0.4
55.77139	0.4
57.03450	0.6
59.01375	12.0
59.20982	0.4
60.99302	19.4
61.98829	2.1
71.01366	5.2
73.02932	2.0
73.04644	0.5
75.00858	2.9
80.96476	0.7
82.94916	1.1
82.95405	26.9
83.01406	0.6
84.95073	0.9
85.02940	4.1
86.34219	0.5
87.00850	2.4
88.00414	0.8
88.98788	100.0
89.02434	6.3
93.03425	5.6
101.02432	2.2
109.02940	1.0
113.02445	1.3
119.03467	0.6
121.02962	0.9
127.07644	0.6
135.04504	0.6
137.02414	5.6
147.04517	0.9
159.04497	1.2
160.05229	2.7
161.04550	1.0
161.05968	1.1
163.03955	1.0
165.01917	0.6
175.07642	1.3
176.09126	0.6
190.02751	0.8
191.05589	12.1
192.05843	0.8
205.04982	0.8
207.27168	0.6
238.06279	0.9
253.04709	0.7
255.06778	1.0
256.26105	0.5
266.05731	0.8
267.06488	3.1
269.08047	2.0
281.08209	1.0
283.13281	0.5
292.68097	0.6
314.07678	0.7
474.16644	0.6
477.18985	6.8
477.30573	1.8
489.19336	9.6
507.20139	0.7
521.22400	0.6
537.23273	2.9
537.34216	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	537.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16379	0.2
57.59952	0.2
59.01371	4.2
60.99303	13.2
62.75800	0.3
65.00323	0.3
83.01361	0.4
84.95110	0.5
85.02938	0.7
88.98792	68.8
89.02416	0.7
92.10793	0.7
97.65932	0.3
101.02412	0.7
107.01384	1.2
108.02178	0.3
109.02952	1.3
113.02470	0.4
119.03456	0.3
133.02933	2.8
134.03717	0.5
149.02457	0.5
151.00348	2.9
153.01930	0.5
157.16032	0.4
175.03912	1.5
180.04225	0.3
191.05591	2.4
199.04016	1.5
217.04976	0.6
227.03578	0.6
241.04904	0.4
243.03000	0.4
249.96010	0.3
255.02931	0.4
256.03729	3.0
283.02444	0.6
284.03250	53.3
285.04037	100.0
286.04327	1.5
315.30652	0.4
327.05142	0.5
345.13553	0.6
357.13739	0.3
372.31122	0.3
433.24313	2.6
447.09354	80.4
448.09705	2.3
477.23248	0.4
531.61688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81752	0.3
57.03432	0.3
59.01380	3.9
60.99301	20.3
71.01369	1.7
73.02927	0.5
80.58326	0.3
85.02942	0.5
88.98788	100.0
89.02431	1.2
101.02399	1.2
107.01437	0.3
107.68014	0.3
113.02473	0.3
116.16936	0.3
119.03443	0.3
121.02941	1.5
124.01584	0.7
125.02412	1.5
126.38760	0.3
133.02908	1.5
146.03667	0.6
149.02409	0.7
149.96448	0.3
149.99551	1.5
151.00262	1.0
161.02339	0.5
161.04483	0.4
161.05988	0.5
161.91055	0.3
165.24580	0.3
168.00583	1.8
175.04030	0.5
176.04787	0.4
191.05571	1.8
199.04008	0.5
217.05096	0.4
241.04958	0.3
285.04031	35.1
291.97421	0.3
357.13474	0.3
418.21396	0.3
428.36633	0.4
447.09253	4.1
477.23618	0.4
536.31366	0.6
537.12451	1.5
537.32385	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	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82248	1.2
55.01888	1.8
57.03461	1.8
59.01377	28.3
60.99302	11.4
69.03463	1.1
71.01372	18.9
72.99326	1.4
73.02940	8.8
75.00866	1.5
82.67239	1.0
84.72218	0.9
85.02932	12.5
87.00857	5.3
88.98792	59.4
89.02430	9.2
93.03439	12.0
96.96002	12.1
97.02953	2.0
99.00868	2.0
101.02425	12.3
109.02943	4.8
111.04516	1.1
113.02425	9.8
119.03523	1.1
119.04997	1.9
121.02914	2.4
123.04485	1.7
125.02469	2.0
127.03989	1.1
133.02959	14.1
134.03734	1.0
135.04483	6.0
143.03430	1.6
147.04517	4.1
149.02437	1.3
151.04019	1.2
161.02437	2.4
161.04518	5.6
163.00336	1.7
163.03897	4.1
165.01894	2.3
173.04501	2.1
175.03989	6.7
177.02013	3.7
183.10136	1.5
191.05608	50.3
192.05937	6.4
193.01347	2.1
199.04010	1.4
211.07457	1.2
253.05070	1.3
268.60718	1.2
284.03223	8.8
285.03989	9.1
297.04056	25.5
298.04868	10.6
299.05591	18.7
299.08771	1.7
311.05548	2.2
327.05109	100.0
339.05081	5.7
345.19046	2.6
357.06195	32.0
369.06177	4.2
433.24182	1.2
447.09335	67.6
477.23337	18.9
495.24176	1.8
537.20978	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62788	0.5
55.61205	0.6
59.01377	100.0
61.98820	6.0
71.41467	0.6
79.63179	0.7
81.05577	0.7
174.03918	0.8
185.87140	0.7
191.05605	1.5
232.40640	0.8
425.95483	0.8
512.08197	0.7
536.51379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57541	0.1
56.32647	0.1
59.01376	100.0
60.01714	0.2
61.98829	0.2
67.08807	0.1
81.64982	0.1
90.30118	0.2
113.57420	0.1
189.04221	0.2
191.05602	0.7
238.60191	0.2
345.28006	0.2
405.74515	0.2
455.31833	0.2
475.38736	0.2
499.30344	1.7
535.40216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37889	0.2
54.81454	0.2
59.01381	100.0
59.41993	0.2
70.67480	0.2
122.34798	0.2
125.09606	0.2
149.20877	0.2
274.41626	0.3
455.31491	0.3
475.37784	0.9
535.40314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06754	0.8
55.99043	0.8
58.77227	1.0
59.01375	100.0
61.98822	39.4
69.90337	1.0
78.95905	1.0
87.00880	0.9
92.32726	1.2
93.03416	1.1
119.31932	1.0
191.05589	4.4
425.84482	1.0
535.31976	1.2
535.73492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.62335	0.7
61.98831	4.3
64.36725	0.9
68.75484	0.8
78.81681	0.8
78.95890	0.8
80.09732	0.9
82.36690	0.8
88.76418	0.8
97.06568	1.4
106.72925	1.0
139.25734	1.1
154.47461	0.8
186.51170	1.0
191.05545	4.0
361.91473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00859	0.5
59.01376	100.0
61.98822	0.8
69.75330	0.4
76.56432	0.6
81.63255	0.5
93.49682	0.5
152.65395	0.5
191.05637	0.9
452.10941	0.5
506.26761	0.6
535.54150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89920	0.4
52.19187	0.4
56.61967	0.4
59.01377	100.0
61.98824	3.9
72.94319	0.4
174.03233	0.4
191.05627	3.8
199.16510	0.5
270.69370	0.6
385.66229	0.5
475.38370	0.8
499.30746	2.0
539.66290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56594	0.1
59.01376	0.6
62.69906	0.1
66.30416	0.1
71.01362	0.3
72.05612	0.1
75.00877	0.9
78.95901	37.6
85.02950	0.6
87.00867	1.0
89.02410	0.2
93.03451	0.8
96.96954	100.0
99.00886	0.2
102.12566	0.1
105.01935	1.3
121.02932	0.7
129.01930	0.9
140.24283	0.1
147.02968	0.3
158.92528	1.8
161.61081	0.1
173.04498	0.9
176.93576	7.9
177.04047	0.2
191.05611	4.5
192.05920	0.3
194.94653	7.3
195.05103	4.6
355.10519	1.5
439.08591	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	535.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81511	0.3
55.05553	0.2
59.01377	100.0
61.98824	2.3
71.05005	0.4
75.81077	0.3
82.20055	0.3
83.05035	0.5
89.86420	0.3
111.08173	0.6
121.90528	0.3
131.27611	0.3
188.23381	0.3
191.05585	1.7
234.00363	0.4
238.42366	0.3
377.28314	0.4
389.28622	0.6
437.30710	0.4
455.31476	0.8
457.33243	1.4
469.29614	0.7
475.34271	4.8
481.29556	2.8
499.30676	21.3
500.31042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25901	0.6
55.22165	0.7
59.01384	100.0
61.26933	0.7
61.98831	5.4
62.71519	0.7
77.96103	0.7
80.20911	0.7
108.18501	0.9
191.05629	1.3
192.28917	0.8
217.59407	1.0
366.62164	0.9
377.15549	0.9
475.38379	7.8
482.75778	0.9
535.33173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81462	1.0
57.82858	0.9
59.01374	100.0
59.39824	0.9
61.98832	8.0
63.94481	0.9
65.38757	0.9
69.83564	0.8
92.10165	4.3
106.05826	0.8
108.42490	1.0
111.43640	1.1
127.13464	0.9
147.81100	0.9
191.05635	1.2
198.23804	0.9
455.31604	4.9
487.34329	4.0
488.34525	5.3
489.34894	49.0
535.05219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.67502	0.8
61.98812	0.8
72.72655	0.7
107.65569	0.8
147.95033	0.9
161.54842	0.9
191.05557	4.1
245.54034	1.1
407.68179	0.8
469.32318	0.8
471.33743	4.5
475.37851	1.7
487.34399	1.4
488.34628	1.3
489.34961	35.8
499.30417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87008	0.5
52.94903	0.5
56.39547	0.5
59.01374	100.0
61.98833	3.3
78.68571	0.5
92.10878	1.1
122.77900	0.6
166.83713	0.6
179.58775	0.6
183.10193	0.7
191.05550	4.1
262.30557	0.6
355.12930	0.6
475.34332	0.8
489.34964	2.5
499.30606	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	535.3275
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
53.39582	2.0
55.85480	2.2
57.03447	8.4
59.01375	49.8
60.99303	2.5
61.98831	14.8
64.45562	1.8
71.01379	8.5
71.05019	3.8
72.99263	2.0
73.02933	3.3
73.81259	2.1
78.95885	2.6
82.95405	5.3
84.05465	2.0
84.95128	4.3
85.02944	13.9
87.00911	2.8
87.04494	7.8
89.02430	3.9
93.03448	10.8
96.95988	27.6
98.95576	8.8
101.02421	8.7
109.02935	2.7
113.02448	2.7
135.04500	3.8
137.02388	2.6
161.43179	2.2
173.04507	3.4
175.11292	8.8
184.38249	2.1
191.05606	53.1
228.60820	2.7
298.05148	3.2
383.29517	10.8
395.29575	66.3
407.29639	3.7
413.30609	33.7
425.30542	10.7
429.30112	3.0
443.31616	58.2
455.31808	4.2
457.29373	3.6
463.27112	11.7
473.32840	20.6
475.30209	4.0
491.28049	4.6
505.31778	17.0
535.33063	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92857	0.7
55.01874	6.1
57.03442	5.6
58.00595	3.3
58.99607	1.1
59.01373	79.0
61.98821	3.8
65.00325	2.0
67.92294	0.7
71.00974	1.9
71.01369	45.9
71.05018	1.0
71.93431	0.7
72.99300	4.1
73.02930	14.5
81.03443	0.9
82.95407	3.4
83.01374	10.6
85.02935	27.6
87.00861	6.5
87.04478	1.4
88.98773	1.1
89.02428	28.7
91.41456	0.9
93.03442	1.7
95.01375	5.4
96.95989	13.7
97.02944	1.2
97.06591	1.8
99.00882	5.8
99.04525	1.1
101.02422	30.7
102.98582	1.1
107.01395	3.7
109.02968	1.9
111.00899	1.6
111.08141	1.1
113.02436	21.4
116.92812	5.9
119.03474	12.0
121.02949	1.4
123.04564	0.9
125.02461	3.7
125.09689	1.2
127.11262	1.3
133.02911	0.9
133.27896	0.9
135.04497	18.2
137.02444	1.6
137.09714	1.4
138.06888	1.0
143.03575	0.8
146.03732	4.8
151.00354	18.1
151.04004	4.5
157.12325	4.3
159.02989	1.9
159.04358	0.8
161.02426	1.1
161.04524	6.5
161.05980	1.5
163.11307	1.2
166.15845	1.0
167.10738	5.2
179.03455	1.6
179.05592	1.4
187.13315	1.4
191.03879	1.3
191.05609	15.6
192.05951	1.0
215.16637	1.4
216.13687	4.0
243.15895	0.9
281.73843	0.9
287.05640	12.5
300.02682	0.9
301.03503	1.0
307.22723	0.9
337.23853	1.4
355.11938	1.1
355.24902	2.0
358.10696	0.9
373.13062	6.5
373.25964	18.2
378.18747	1.6
385.18372	1.0
402.88159	0.9
475.22009	1.2
486.23633	0.9
491.10645	1.6
493.22800	9.5
517.29657	1.2
535.23956	9.1
535.31238	100.0
536.31366	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73768	0.6
54.81255	0.8
57.03447	4.0
59.01374	13.9
59.11029	0.7
60.99302	6.5
61.98831	4.0
62.76324	0.6
62.78556	0.8
71.01381	2.9
71.05016	7.0
71.50362	0.7
73.02920	1.2
75.51237	0.7
75.79647	0.7
82.95410	1.1
83.05008	1.0
84.95117	1.5
85.02946	6.4
85.06578	1.2
87.00872	1.0
87.04514	4.9
93.03455	3.0
96.92546	0.8
96.95998	3.7
97.02892	0.9
98.95583	1.1
116.92834	1.2
122.03745	1.0
123.08187	0.8
135.04564	1.6
163.07625	1.0
171.03433	0.8
173.09700	1.7
175.11252	12.3
191.05597	15.2
207.06505	0.9
255.02992	5.5
283.02536	5.8
287.22357	1.4
295.20581	1.9
298.04788	14.9
309.22122	1.2
313.07220	13.6
365.24838	2.8
377.28629	1.4
379.26508	4.4
381.27982	5.2
383.29559	30.4
393.27963	3.6
395.29532	100.0
396.29913	3.9
397.27063	1.2
407.29605	4.0
409.28030	1.0
413.30621	61.3
414.31104	1.5
415.16281	1.1
425.30716	10.5
427.28415	4.3
443.31680	85.6
444.31909	1.0
449.27054	0.9
457.29608	4.6
473.32629	13.5
475.30359	9.2
487.30688	0.9
491.28500	1.0
505.31818	18.4
517.32196	0.9
535.32806	40.9
536.33142	1.4
555.08813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98821	12.4
71.01395	21.8
76.30024	5.4
77.19965	5.8
85.02943	22.5
88.98791	8.0
92.10890	9.1
93.03435	23.3
96.95988	12.3
101.02436	9.3
106.20429	5.6
113.54402	5.8
119.04995	53.5
123.94585	5.4
135.04358	5.5
163.03969	12.6
173.04559	6.3
177.01941	7.6
191.05591	46.2
475.25278	8.7
535.32428	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59770	0.8
50.68439	0.8
52.93358	0.8
59.01377	69.3
60.15917	0.8
61.98823	9.5
71.05023	1.3
74.33380	1.0
74.51701	1.0
75.00868	1.2
85.02924	1.0
87.62646	1.1
92.10140	1.0
135.04532	0.9
191.05585	5.1
198.36014	1.0
370.52353	1.2
377.28558	1.1
407.29675	5.3
439.27945	1.4
445.36569	1.2
451.28955	1.6
455.31836	6.9
475.38251	12.2
481.29782	11.2
499.30658	100.0
500.31021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61851	0.6
55.01878	7.6
57.03447	4.6
58.00602	0.9
59.01376	75.0
61.98827	3.4
64.19142	0.7
65.00349	0.9
67.01886	0.8
69.03444	1.4
71.01370	54.5
72.99294	6.2
73.02937	20.9
75.00868	1.6
83.01375	12.6
83.05012	0.7
84.95114	1.3
85.02939	30.9
85.03417	1.3
86.00083	0.8
87.00880	4.8
89.02433	15.3
92.64009	0.8
93.03440	4.6
95.01372	6.7
96.95986	3.5
97.02935	4.0
99.00874	7.0
99.04489	1.0
99.92572	7.5
101.02429	37.6
107.01453	1.0
109.02966	3.3
111.00864	1.8
113.02446	25.1
116.92843	100.0
117.92851	4.6
119.03503	3.3
119.05060	1.4
120.40651	0.7
121.02934	0.7
123.04472	3.4
125.02414	6.3
129.01930	1.2
131.03497	1.0
133.02997	0.9
135.04520	10.6
137.02414	1.3
137.73947	0.8
143.03506	5.0
151.00371	4.8
153.01900	3.1
159.02968	3.1
160.01643	3.6
161.02440	2.5
161.04556	14.3
163.03989	0.9
175.00409	0.9
175.03995	3.7
179.03479	3.5
191.05594	12.6
192.06015	1.0
194.39568	0.7
197.04555	1.6
200.21097	0.7
207.13838	0.9
225.15005	0.9
230.37022	0.8
246.43065	0.8
269.13870	1.3
287.05515	1.1
327.05206	1.8
329.16080	0.9
329.26801	0.9
331.17551	11.1
337.09097	1.3
370.46460	0.8
373.13138	0.9
373.18530	3.3
397.18585	0.9
417.08389	1.5
475.21756	15.1
481.07172	1.6
493.22894	57.0
494.23239	1.5
535.15393	3.0
535.24127	21.5
535.31415	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	535.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.1
57.03438	5.4
58.00592	0.7
59.01375	76.2
61.79923	0.4
61.98811	0.7
63.02400	0.7
64.32787	0.5
65.00314	10.7
68.99838	0.5
69.03440	2.2
70.73291	0.4
71.01371	58.7
72.99315	2.6
73.02932	18.3
73.03321	0.8
75.00879	0.8
83.01378	18.7
83.01845	0.9
85.02938	35.5
86.00108	0.4
87.00863	4.2
87.04512	0.5
89.02434	15.8
89.02959	0.7
91.01246	0.6
93.03453	2.1
95.01374	6.3
97.02926	2.1
97.73345	0.4
99.00852	7.4
101.02425	44.8
107.01376	23.2
109.02922	3.6
111.00900	2.0
111.04465	0.5
113.02437	25.3
116.92856	4.1
119.03449	4.8
121.02943	2.6
123.08174	0.5
125.02421	7.7
127.03951	0.8
129.01924	0.8
131.01334	0.9
131.03535	0.8
133.02966	0.7
134.03705	2.5
135.04503	91.2
136.01588	0.6
136.04887	1.5
137.02406	2.0
143.03493	2.4
149.02452	0.6
151.00354	100.0
151.03943	2.1
152.00752	2.3
159.02959	4.5
161.02402	2.3
161.04515	17.7
165.01933	1.2
167.03499	0.5
167.10788	0.8
168.97917	0.5
169.01488	0.9
175.00351	6.2
175.03955	0.6
177.01933	0.9
179.03534	0.7
179.05569	2.2
181.12405	0.7
191.05603	5.3
193.01343	1.0
193.05049	0.8
197.04491	0.5
207.13878	2.0
216.13754	0.6
225.11258	0.8
248.96663	0.5
255.02914	0.7
269.04843	0.6
284.03244	6.0
285.03842	8.7
286.04071	9.4
287.05609	68.6
288.05994	1.9
331.17593	4.0
355.13907	1.0
358.10757	0.8
373.12936	2.4
373.18600	2.2
373.26019	2.1
475.22003	1.2
485.35309	0.6
491.11154	13.3
493.22913	42.8
494.23370	1.0
535.23901	40.9
535.31403	13.7
536.24817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69302	0.1
52.10110	0.1
54.96450	0.1
55.01881	0.2
57.03461	0.2
58.00589	0.1
59.01380	6.0
61.98830	0.1
71.01379	2.0
72.99319	0.1
73.02948	1.6
83.01368	0.5
85.02943	1.1
85.06530	0.1
87.00857	0.6
89.02431	1.0
92.10856	0.5
93.03423	0.2
95.01392	0.2
96.96002	1.8
99.00836	1.0
99.92566	7.5
101.02412	1.7
111.89648	0.1
113.02425	1.0
114.93326	0.1
116.92841	100.0
117.01908	2.2
117.05551	0.1
117.92843	0.9
119.03433	0.2
119.68691	0.1
123.04519	0.1
127.78023	0.1
135.04497	0.8
137.02374	0.1
144.04510	0.2
151.00343	0.2
161.02467	0.2
161.04556	0.5
185.11787	0.2
191.05621	1.7
250.06100	0.1
333.15594	0.8
373.25827	0.7
374.24152	0.2
431.26483	1.3
449.27405	0.5
474.29376	0.2
504.30472	0.5
505.30716	0.4
534.31537	1.0
535.31561	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	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24334	0.5
55.01879	0.7
57.03437	1.2
58.00594	1.4
59.01372	100.0
61.98832	0.5
71.01365	30.0
71.01747	1.1
72.99289	1.0
73.02939	2.3
83.01385	1.3
85.02934	7.7
87.00850	0.7
89.02426	39.0
95.01373	1.4
97.02879	0.6
99.04520	5.9
101.02428	15.0
111.96173	0.5
113.02444	12.6
116.92870	1.1
119.03476	15.1
120.11608	0.6
131.03482	0.6
139.47870	0.6
143.03491	0.9
161.04507	3.7
179.04166	0.7
179.05597	12.5
189.12840	0.7
191.05646	1.4
207.13889	55.3
209.11765	1.3
251.12820	9.8
269.13785	0.9
311.15079	7.3
329.16086	0.8
387.20218	17.7
431.19022	10.2
449.20532	1.3
491.21298	19.8
493.22821	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36469	0.1
55.35720	0.2
57.03456	0.2
58.83357	0.2
59.01377	5.5
61.98832	0.7
71.01381	0.9
71.05010	0.2
73.02929	0.7
73.13058	0.1
78.95443	0.2
78.95895	6.4
79.95720	1.5
80.96513	0.2
85.02950	1.0
87.00873	0.2
88.98808	0.2
92.10169	0.4
93.03424	0.4
96.95992	100.0
96.96896	9.7
101.02425	0.3
116.92825	0.2
119.74917	0.2
135.04507	0.4
161.02473	0.2
161.09721	0.2
173.04465	0.3
191.05580	1.5
205.08745	0.3
313.05737	0.2
415.26840	0.3
475.25156	0.7
475.33722	0.2
491.28622	0.3
501.32266	1.3
517.31219	0.3
535.32745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.1
59.01373	1.7
60.16232	0.1
71.01370	1.8
73.02950	0.6
78.95883	1.5
80.25423	0.1
82.77259	0.1
83.01411	0.1
85.02941	6.0
87.00859	1.7
87.24461	0.2
88.21663	0.1
88.91686	0.1
89.02438	0.8
93.03439	2.3
96.96009	0.7
96.96944	0.5
101.02453	1.1
109.02946	0.5
111.04498	0.8
111.37070	0.1
117.54462	0.2
119.99154	0.1
127.03997	1.8
133.02939	0.8
135.04518	1.5
137.02437	0.2
148.87418	0.1
155.03516	0.1
158.92406	0.2
161.02406	2.8
171.02965	0.3
173.04488	1.5
179.03497	0.7
181.07208	1.4
191.05598	100.0
192.05931	1.0
193.05997	0.2
323.02829	0.5
353.08759	13.9
371.09671	0.3
535.04309	0.2
535.16626	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	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
56.88993	0.5
57.03460	1.3
59.01376	24.4
60.35385	0.5
61.98817	1.4
67.01907	2.7
71.01369	10.3
72.99326	1.2
73.02950	3.2
75.00857	0.6
78.95872	0.5
81.03452	5.0
82.95419	2.2
83.01407	3.6
84.95112	14.6
85.02937	6.8
87.00881	3.4
88.98804	0.8
89.02428	9.4
93.03436	5.4
95.01427	1.1
96.96014	3.4
99.00864	4.8
101.02435	5.4
103.66476	0.5
107.01355	0.9
108.02194	2.5
109.02944	17.7
111.00901	1.1
113.02444	4.1
116.92847	3.6
117.03461	0.8
117.97250	0.7
119.03490	2.0
121.02884	0.9
123.00887	3.7
123.04496	20.3
125.02410	5.3
132.02151	2.4
133.02959	0.8
134.03731	10.4
135.04500	100.0
136.01659	11.2
137.02441	3.4
139.00328	1.1
146.03748	1.0
149.02428	3.7
149.06061	1.2
149.22487	0.5
151.03984	11.0
151.07585	0.5
153.01932	10.7
159.04526	2.5
160.01634	24.0
160.05254	4.5
161.02444	2.6
161.04504	0.6
171.04553	0.6
173.04579	1.3
173.05949	0.7
174.03160	0.6
175.03970	28.8
175.07587	3.4
177.01994	0.8
179.03474	0.6
179.05530	0.6
185.02438	0.8
185.06029	0.8
186.03108	0.7
187.03951	4.2
187.07687	0.9
188.04724	8.2
189.05673	0.9
191.05600	20.6
192.05902	0.9
193.04964	6.1
203.07135	8.2
227.03517	0.6
229.08656	19.1
253.05013	0.9
255.06604	8.9
267.06516	1.1
273.07690	8.1
277.05002	0.7
293.08203	1.1
295.06171	2.7
299.05725	0.7
307.06104	0.9
310.08496	2.7
325.10712	9.3
337.09256	27.2
355.11896	3.4
415.23190	0.6
435.13028	9.7
473.14502	13.9
481.07791	7.4
503.12622	0.9
535.18823	29.4
535.30963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1458
Annotation	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
Peak:m/z	Relative Intensity
57.03440	0.4
59.01385	2.4
60.88863	0.3
60.99307	0.6
67.01874	3.2
69.03452	0.7
71.01379	1.7
71.91117	0.3
81.05439	0.3
83.05016	0.8
84.40520	0.4
85.02936	9.1
85.58723	0.3
87.00856	6.1
93.03437	20.9
96.96023	0.6
109.02976	2.0
111.04512	3.8
113.02419	0.5
119.05008	14.9
121.02940	1.0
126.03112	0.4
127.03999	2.2
127.24473	0.4
133.02954	0.7
134.03679	0.6
135.04498	26.2
137.02431	11.8
149.02434	5.3
149.06314	0.4
155.03535	0.7
161.02422	4.2
163.03961	4.1
171.03027	0.4
173.04530	10.6
177.01950	2.0
179.03481	0.5
191.05602	100.0
192.05940	2.1
220.50558	0.4
233.06660	3.2
239.07262	0.8
283.06174	1.0
300.23947	0.5
304.22385	0.5
343.08206	5.3
361.09222	0.7
371.09738	0.7
517.13519	19.7
535.14532	28.2
557.94623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83958	0.4
51.53126	0.3
52.36331	0.4
57.03452	0.4
59.01375	36.5
61.98820	3.4
64.59074	0.4
65.00299	0.6
71.01374	3.7
71.05022	0.5
73.02936	2.2
75.54845	0.4
80.96518	1.8
82.95395	3.8
83.01382	0.6
83.05012	0.5
84.95131	1.0
85.02934	3.7
87.00871	3.0
88.98799	2.0
89.02423	0.8
92.10175	0.8
93.03445	2.8
96.95985	0.8
101.02432	2.5
113.02438	1.8
116.92860	5.5
117.03442	3.2
117.76935	0.4
117.92853	1.8
118.92675	0.7
119.03407	0.4
119.05008	0.6
125.02495	0.5
135.00841	0.7
135.04494	1.9
137.02390	2.5
159.04390	0.5
160.01624	0.5
161.02429	0.4
162.36075	0.5
163.00366	9.4
164.98296	1.9
165.99065	0.8
173.04507	0.7
179.03387	0.5
183.04485	1.9
183.13818	1.9
184.14160	2.1
191.05597	14.9
192.05943	0.5
193.05025	0.5
198.68066	0.5
199.04143	0.5
209.11850	0.5
211.04063	0.8
213.02142	0.5
227.03548	3.2
227.12814	2.3
228.13263	0.9
239.03439	1.0
255.02969	12.1
269.04501	1.7
283.02466	72.8
284.02826	1.1
287.22272	5.5
297.04025	3.2
298.04813	100.0
299.05148	1.7
313.07181	80.6
314.07599	0.6
327.22028	0.5
343.04681	0.6
373.26025	0.6
431.26620	1.7
443.31641	0.6
449.27563	5.0
475.28668	0.6
491.28564	9.7
535.32086	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	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81524	0.1
57.03439	0.2
59.01377	1.5
61.49461	0.1
63.02393	1.8
65.00318	10.4
65.00655	0.3
65.09131	0.1
69.45187	0.2
71.01382	0.2
83.01377	5.0
100.29670	0.1
106.07990	0.2
107.01379	22.5
107.05044	0.2
108.02185	0.3
108.99273	0.2
109.02919	1.3
112.33620	0.2
116.92834	0.9
117.85068	0.1
124.57372	0.1
125.02431	4.3
125.40714	0.1
132.80824	0.1
133.02972	0.2
134.03769	1.0
135.04506	83.0
136.01640	0.6
136.04854	0.3
151.00354	100.0
152.00713	1.3
159.04539	0.7
161.02359	1.6
164.01123	0.8
165.01894	0.7
169.01480	1.2
177.01898	1.0
191.05612	0.4
196.00186	0.2
199.04071	0.2
201.05504	0.2
269.04547	0.7
287.05609	48.6
339.10919	0.7
431.10068	0.2
449.10672	0.3
491.11984	21.6
492.12650	0.2
519.38098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00265	0.2
54.81482	0.2
57.03452	0.3
59.01376	6.1
60.99307	0.3
63.68304	0.2
67.01892	1.1
69.03445	0.3
71.01360	1.7
73.02941	0.4
76.67047	0.2
81.03451	1.0
82.95419	1.1
83.05026	0.8
85.02937	14.8
85.88175	0.2
87.00860	4.3
93.03439	8.8
96.95992	1.0
99.04522	0.7
101.02425	0.2
109.02937	2.3
111.00865	0.3
111.04500	2.7
113.02408	0.7
113.63229	0.2
116.92860	2.1
125.02410	0.2
127.03992	3.9
129.01912	0.3
133.82587	0.2
135.04498	1.2
153.01892	0.7
155.03468	0.4
161.02304	0.3
161.04597	0.2
171.03001	0.9
173.04529	3.0
175.07578	0.4
185.06023	0.8
185.09705	0.2
187.07654	0.3
191.05597	100.0
192.05916	0.9
198.06862	1.0
205.23845	0.2
206.56676	0.2
209.14793	0.2
211.07735	0.3
212.08337	0.2
213.09204	7.9
214.09830	0.4
217.61707	0.2
227.10732	0.3
229.12354	2.2
236.07849	0.2
237.09181	0.4
239.07141	2.1
255.10255	1.0
271.02670	0.2
273.11267	0.4
299.09207	7.6
300.09488	0.2
317.10355	0.9
343.08197	1.1
415.23108	0.2
491.15594	2.2
535.14392	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	535.018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03440	0.3
59.01376	6.4
67.01889	0.2
71.01373	4.7
72.99306	0.3
73.02927	1.6
73.03247	0.1
83.01376	1.1
85.02944	2.9
85.50626	0.2
87.00881	0.6
89.02422	1.3
93.03450	0.6
95.01402	0.6
95.95117	0.2
96.95979	0.3
97.02940	0.2
99.00871	1.1
99.92564	6.7
100.65187	0.1
101.02425	3.3
103.79097	0.1
107.57011	0.1
109.02949	0.3
110.09572	0.1
111.04509	0.2
113.02438	2.2
114.93385	0.2
116.92842	100.0
117.92860	1.0
119.03460	0.2
120.99767	0.1
125.02394	0.7
133.02930	0.6
133.22934	0.2
135.04509	1.7
136.01619	1.1
137.02458	0.3
143.03442	0.2
146.45901	0.1
151.00337	0.9
151.03978	1.4
159.02998	0.2
161.02405	0.3
161.04550	1.0
161.90765	0.1
163.03908	0.1
175.04001	0.3
177.01888	0.2
179.03523	0.2
179.05649	0.1
181.05005	0.1
187.04120	0.2
191.05617	2.4
259.29483	0.2
285.04068	0.2
287.05643	0.3
297.04044	0.9
299.05502	0.8
302.85117	0.2
316.22131	0.2
327.05096	3.1
331.17532	0.6
357.06128	0.8
358.10672	0.6
373.12979	2.4
373.17752	0.2
373.22415	0.2
380.97000	0.7
415.23520	0.3
417.08389	2.1
475.21756	1.2
479.06018	0.2
481.06018	0.2
491.11981	0.2
493.22977	3.6
517.00690	1.6
535.14587	0.2
535.24219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74799	0.4
59.01374	100.0
60.40729	0.4
61.98829	0.6
79.12016	0.4
90.12659	0.5
92.10806	2.0
108.36034	0.5
167.41885	0.4
181.56621	0.4
191.05548	0.6
215.09375	0.5
218.87868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66695	0.3
56.17959	0.3
58.45154	0.2
60.36084	0.3
61.98817	2.1
69.56075	0.3
86.27865	0.3
91.05526	1.3
98.81621	0.3
118.06617	3.5
133.10213	1.4
141.65671	0.3
147.08087	0.4
161.09679	0.4
163.11270	100.0
164.11644	0.4
179.10770	5.8
194.09644	3.2
208.11066	0.6
301.82352	0.3
334.88141	0.4
337.21652	0.3
358.21786	11.0
370.21439	1.2
534.33765	50.8
535.34192	1.9
552.42035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31172	0.5
59.01377	3.1
61.98823	100.0
62.91072	0.5
69.19585	0.5
92.64266	0.6
114.74693	0.5
137.79147	0.5
157.67149	0.5
162.63770	0.5
191.05658	1.1
371.90475	0.6
416.04236	0.6
545.54034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.7
60.01699	0.3
61.01807	0.6
61.98823	100.0
72.04677	0.3
98.02919	0.3
109.90866	0.3
149.63496	0.4
191.05591	2.0
192.05920	0.4
223.21446	0.4
285.66101	0.4
472.35281	2.7
474.35629	1.7
487.32642	0.4
534.27747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98821	0.4
72.06363	0.2
82.46254	0.2
85.02938	0.3
92.10780	0.4
110.45266	0.2
112.48547	0.3
135.04483	0.4
153.04829	0.2
161.46709	0.2
174.13097	0.2
187.95563	0.2
191.05600	2.4
217.44083	0.3
278.43356	0.2
362.81625	0.3
469.33093	0.3
473.32529	3.3
487.34351	2.7
513.63574	0.3
533.37982	0.4
548.08575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81528	0.8
56.69582	0.7
59.01375	100.0
61.98837	3.5
62.39275	0.8
62.95782	0.8
68.21676	0.7
70.60320	0.9
80.09426	0.8
83.04999	2.0
85.02919	1.4
116.53794	1.0
155.76047	0.9
191.05577	5.6
255.23227	5.7
358.58099	0.9
437.33957	1.8
533.34857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55997	0.2
55.64348	0.2
55.88517	0.2
59.01375	100.0
60.01727	0.3
61.98825	0.4
78.95907	1.2
95.31916	0.2
121.27715	0.3
142.28079	0.2
152.99651	0.3
171.07709	0.3
187.60378	0.2
191.05603	2.0
226.62646	0.3
281.24927	0.3
356.57025	0.3
533.20953	0.3
534.08264	0.3
550.31702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91011	0.7
54.81818	0.7
59.01374	15.8
61.98835	3.6
63.37937	0.6
77.86599	0.7
84.54707	0.6
143.69675	0.7
175.25551	0.8
187.03926	0.8
191.05605	3.1
208.10120	0.8
234.42950	0.7
258.59131	0.8
297.06232	0.8
340.67310	0.8
387.28314	0.9
392.66928	0.7
407.33105	10.0
425.34296	10.9
443.35352	8.1
471.34760	14.3
472.34955	6.9
473.35501	19.8
487.34296	100.0
488.34607	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	533.3481
Annotation	Agosterol F
Peak:m/z	Relative Intensity
59.01384	6.3
60.19389	0.3
61.98838	1.6
62.22652	0.2
71.05027	1.2
75.82831	0.2
76.56058	0.2
81.47048	0.3
83.05029	0.4
88.76982	0.2
105.69263	0.3
119.88813	0.3
159.53369	0.3
191.05583	1.8
291.00403	0.3
369.31650	0.4
385.34775	0.3
411.32550	3.1
413.30408	1.1
429.33746	5.0
455.31604	1.6
473.32693	100.0
474.33136	2.5
487.33450	0.4
515.24170	0.4
533.28601	1.3
538.74304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01761	0.2
52.53009	0.2
53.14978	0.2
55.23359	0.2
59.01383	100.0
61.98818	0.5
65.48098	0.2
71.05012	0.3
72.90368	0.3
73.92990	0.2
74.96746	0.3
83.80434	0.2
85.02942	0.4
86.39414	0.2
93.03448	0.4
135.04489	0.5
191.05632	3.9
201.14098	0.3
297.07132	0.3
314.16879	0.4
371.25757	0.3
376.90842	0.3
455.31674	1.6
473.32693	1.8
497.28259	0.3
533.30536	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	533.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64043	0.3
59.01374	100.0
60.01699	0.4
61.98843	0.6
64.93668	0.3
96.84435	0.3
121.80072	0.4
136.54271	0.4
139.22354	0.4
139.81473	0.4
174.69606	0.4
191.05586	2.7
250.27863	0.4
257.95395	0.4
267.97189	0.4
284.17908	0.4
376.87683	0.4
407.32944	0.4
469.33310	2.2
487.34302	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	533.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94456	0.3
55.41367	0.3
59.01379	6.4
68.46700	0.3
71.05009	0.5
83.50947	0.3
93.21207	0.4
114.36868	0.4
129.81247	0.3
135.88660	0.4
191.00639	0.4
191.05557	1.5
271.34354	0.4
319.19849	0.4
407.33234	0.8
425.34344	1.3
427.32254	0.7
443.35446	0.8
455.31494	0.5
469.33200	13.2
478.61954	0.4
487.34308	100.0
488.34457	3.0
522.09186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.3
61.98826	0.3
62.25615	0.1
105.10972	0.1
112.61618	0.1
123.64410	0.1
170.31599	0.1
182.39905	0.1
191.05640	0.3
409.31287	0.3
411.99738	0.2
421.31024	0.2
425.30356	0.2
439.32214	0.3
473.36832	0.4
487.34283	100.0
488.34650	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	533.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	67.6
61.98834	2.0
69.37618	0.5
75.75140	0.5
83.94614	0.6
86.90189	0.6
91.20001	0.5
93.34418	0.5
97.78112	0.4
135.04489	0.7
171.10814	0.6
191.05582	3.7
468.17813	0.6
473.32065	5.1
487.34305	100.0
488.34735	2.4
533.12622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60354	1.8
52.30318	1.9
54.81847	1.8
55.80928	2.2
56.19267	2.0
57.03458	2.3
59.01379	80.0
59.98522	9.7
60.99303	3.5
61.98833	9.0
64.12294	2.1
71.01381	9.8
71.05011	72.1
73.02940	13.1
76.98804	10.6
83.04996	3.3
85.02952	9.3
87.04522	3.6
89.02437	3.3
93.03436	9.6
99.04533	4.4
101.02416	2.7
101.06069	15.1
104.01575	2.0
113.02459	2.7
116.92858	3.6
117.03422	3.2
126.03397	2.2
135.00819	2.3
135.04507	14.6
149.04562	2.5
167.03448	3.0
189.12807	12.4
191.05615	57.5
201.12807	2.6
219.13803	2.9
225.16467	4.4
239.18051	5.1
255.17418	5.5
279.17581	11.6
309.22083	5.5
321.22137	22.3
323.23541	4.0
333.22324	3.6
335.23615	3.2
339.23364	12.0
351.23248	36.6
353.24887	3.4
356.35083	2.5
369.24274	12.3
375.23340	2.9
383.25790	3.0
387.26572	2.6
393.28287	2.6
395.29645	40.9
403.25250	3.3
405.28128	29.3
407.24603	3.8
407.29614	91.2
408.08105	2.5
409.27576	10.9
419.25729	2.9
423.29099	46.3
425.30640	87.0
439.28403	3.8
449.26947	12.7
453.30280	12.8
455.25558	3.5
455.31735	97.6
463.25067	3.9
467.28049	100.0
469.29581	3.2
473.32162	4.4
487.30685	8.4
497.29279	22.0
499.27048	13.4
515.29846	3.0
533.13007	2.8
533.31171	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	533.3119
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
55.34206	0.7
57.03450	1.3
59.01382	15.6
61.98833	3.4
71.01385	3.6
71.05003	5.5
72.43865	0.9
73.02969	2.6
82.95410	6.5
83.01404	0.8
83.05035	1.0
85.02962	5.3
87.00898	1.4
87.04518	8.6
89.02429	0.8
93.03456	5.3
96.95989	3.1
101.02402	1.4
106.04257	0.9
107.04986	0.9
111.04524	0.9
113.02443	1.6
116.92860	5.9
117.03432	1.3
119.05019	0.9
123.04459	1.0
133.02933	0.8
135.04466	6.9
142.06693	1.0
161.02426	1.2
161.54765	0.8
173.04482	2.9
175.04001	0.8
179.03464	0.7
180.29031	0.7
185.11783	1.4
189.12886	0.9
191.04001	1.2
191.05598	20.1
213.09164	3.6
237.77164	0.9
283.13107	1.2
285.03967	0.8
295.88025	0.8
327.12390	1.0
328.04834	0.8
339.23233	0.8
341.06772	1.2
351.23346	1.3
369.24298	1.4
371.22574	1.1
387.26413	3.0
389.24738	1.5
393.27905	1.3
401.23419	4.0
403.24875	25.3
405.28101	5.7
407.26111	2.7
417.26572	1.6
419.13287	1.6
423.29138	3.6
437.26758	1.0
441.30212	3.2
443.27896	3.0
453.29868	6.2
467.27808	1.4
469.60541	0.8
471.31100	2.9
485.28949	1.3
489.32254	1.8
502.97858	0.9
503.30154	45.6
515.29791	1.6
533.13373	3.2
533.31110	100.0
534.31799	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	533.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73276	1.9
59.01376	83.3
61.12585	2.5
61.98839	3.5
71.01373	4.0
71.05020	23.8
73.02953	4.7
85.02936	3.5
92.10876	4.2
93.03440	4.8
99.04514	3.7
101.06058	3.9
111.04473	2.1
116.85464	2.5
135.04469	12.9
137.02367	4.3
161.02409	3.5
189.12799	3.1
190.73659	2.4
191.05595	44.5
203.14403	3.9
239.18011	3.5
309.22183	2.4
321.22202	13.9
335.23761	3.8
339.23254	5.1
351.23312	10.8
387.26917	12.4
389.28632	4.0
405.28250	15.7
407.29401	19.9
411.29117	3.0
417.27936	3.7
423.28766	5.2
425.30606	15.8
435.28964	35.3
437.26871	3.0
443.32199	3.2
453.30185	65.8
455.31821	21.4
469.29501	18.1
471.30966	11.8
473.32751	17.5
481.29239	3.6
487.30615	33.6
499.30676	100.0
530.83221	3.0
533.13055	5.1
533.31177	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.312
Annotation	Neriifolin
Peak:m/z	Relative Intensity
54.09295	0.3
57.03442	0.6
57.73614	0.3
59.01376	4.4
60.99310	0.6
61.98838	3.4
62.71437	0.4
71.01378	3.6
71.05040	0.5
73.02948	2.2
79.53271	0.4
82.95432	0.6
85.02957	2.5
87.04520	7.4
87.18751	0.3
88.98838	0.4
89.02427	1.0
93.03398	0.6
96.95965	0.5
99.92601	0.6
101.02455	1.3
114.93404	4.9
116.92846	4.9
123.04485	1.8
123.08173	0.5
132.02159	0.5
133.02922	0.5
135.04478	0.9
147.61040	0.5
160.01608	0.6
161.02390	0.7
165.05499	0.5
173.04500	0.5
175.03970	0.8
183.11659	0.4
191.05574	5.1
196.95190	0.4
205.01311	0.4
213.09160	0.7
239.16611	0.5
257.08218	0.5
284.03088	0.5
285.04184	2.8
327.23245	0.5
339.23291	0.9
341.25034	1.6
353.24408	0.4
355.22675	6.0
355.26416	1.0
359.23779	1.6
373.23810	37.0
374.23874	0.5
375.26843	2.4
377.24695	0.7
385.27652	2.8
387.26834	0.8
389.25146	1.4
393.27951	1.9
403.24936	11.0
405.28015	8.1
407.25876	2.4
411.29062	0.7
413.27002	3.8
421.27475	0.8
423.29019	5.4
429.30103	0.5
435.29453	0.5
441.30136	1.7
443.28143	4.6
453.30283	0.8
459.31171	1.6
467.28204	0.7
473.29083	28.2
475.27158	0.4
489.32040	0.5
503.30133	43.6
504.30090	1.5
515.29834	2.1
526.12720	0.6
533.31165	100.0
534.31757	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	533.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.29037	1.6
61.98832	3.3
65.42569	1.6
71.04980	2.0
77.43253	1.9
80.56445	1.7
82.00529	1.9
82.39097	2.4
85.02960	4.9
93.03438	2.8
117.03476	4.0
130.41443	2.3
135.04498	10.8
191.05618	41.6
205.01390	2.6
432.29474	2.4
475.64502	2.2
487.34048	12.0
533.31219	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	533.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98837	2.4
85.02943	3.7
87.04481	2.5
124.40508	1.5
135.04514	6.7
157.05042	1.8
173.39168	1.6
184.39017	1.6
191.05603	35.6
217.00294	1.7
335.22119	12.2
397.29828	1.6
455.32632	2.1
471.31241	2.9
473.32770	3.4
487.34277	2.9
489.31970	2.5
533.31335	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	533.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89405	1.0
51.19627	0.9
52.26545	0.9
55.49314	0.9
57.03457	1.1
59.01374	100.0
71.05018	1.5
85.02947	1.7
87.04473	1.1
92.10838	2.4
93.03429	2.2
99.04480	1.9
117.03439	1.4
119.80602	1.0
135.04491	4.3
137.02405	1.3
146.61285	1.1
161.02414	1.1
183.76866	1.2
191.05598	25.5
193.66025	1.0
298.96127	1.1
335.22318	9.8
351.28802	1.1
372.94431	1.2
453.29800	1.7
471.31018	5.5
473.32913	3.3
487.34232	6.1
533.12775	2.3
533.31207	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	533.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31823	0.2
54.93406	0.2
55.01879	1.7
57.03442	0.4
59.01379	100.0
59.50834	0.2
61.98829	1.1
69.03453	0.6
71.01371	8.0
71.05005	0.4
72.99292	0.4
73.02935	4.0
78.91905	1.1
79.25842	0.2
81.87214	0.2
82.95406	3.1
83.01378	1.1
83.05022	0.6
84.95118	1.1
85.02938	6.8
85.35851	0.2
85.64404	0.3
87.00856	4.2
89.02439	2.2
93.03438	1.2
95.01381	0.5
97.02924	0.5
99.00863	3.4
99.92576	1.4
101.02425	5.1
108.02176	0.5
109.02962	0.3
111.04543	0.5
113.02441	5.4
116.92839	15.5
117.01905	0.5
117.03455	1.0
123.04478	2.2
125.02404	1.1
125.06071	1.3
127.04126	0.3
129.01923	0.4
131.03432	0.4
133.53580	0.3
134.03777	0.3
135.04515	1.4
136.18929	0.3
141.05589	0.6
143.03468	1.1
147.86699	0.2
159.02928	0.5
161.02449	0.4
161.04529	2.3
169.05060	0.4
188.17513	0.3
191.05586	4.3
218.31795	0.3
239.38744	0.2
313.71652	0.3
315.18173	1.0
355.17523	0.5
393.27972	0.4
429.21246	18.8
429.27136	0.6
447.22327	9.4
453.30792	0.3
471.31158	0.4
489.23492	1.6
489.31586	0.3
533.13147	0.5
533.31171	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	533.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65645	0.1
57.03457	0.3
59.01373	1.5
63.77729	0.1
67.01904	0.3
69.03460	0.2
71.01372	0.9
72.99295	0.1
73.02957	0.4
80.31367	0.1
81.03452	0.3
83.05032	0.4
85.02941	10.6
85.10584	0.1
87.00854	1.9
93.03436	3.2
95.01376	0.1
96.02210	0.1
99.00869	0.1
99.04499	0.6
99.23090	0.1
101.02439	0.1
109.02935	0.7
111.04502	1.4
127.03989	2.7
127.26390	0.1
129.01956	0.1
137.02425	0.1
152.51071	0.1
152.78101	0.1
155.03442	0.1
171.03009	0.8
173.04504	1.2
187.28445	0.1
191.05600	100.0
192.05925	0.7
230.75574	0.1
237.93102	0.1
472.19327	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03446	2.0
59.01375	100.0
61.98834	2.3
69.56202	0.4
71.01369	8.8
71.05017	0.8
72.99308	0.8
73.02937	2.7
75.00871	0.5
82.95396	5.2
83.01379	1.1
83.51182	0.5
85.02939	6.7
87.00863	4.1
88.98807	0.7
89.02425	7.1
90.86052	0.5
93.03449	2.6
96.95998	3.8
97.02934	1.0
99.00858	2.5
101.02435	6.0
111.04493	0.8
113.02433	5.2
116.92838	11.2
119.03503	0.9
123.04494	1.0
125.02410	0.8
125.06052	1.0
129.01984	0.6
131.03503	1.7
135.04530	4.1
141.80763	0.5
143.03525	0.6
150.58618	0.5
161.02443	0.8
161.04602	0.7
165.12796	1.1
169.04980	0.5
173.04512	0.8
183.13870	5.3
185.10312	0.6
185.11757	4.1
191.05582	11.8
197.05992	0.5
199.13313	0.7
203.12935	0.7
227.12915	3.7
233.06551	2.2
251.12831	0.9
329.16113	0.9
341.06516	0.7
389.18231	1.0
405.28104	0.8
423.28784	0.9
429.21265	14.0
443.31665	2.5
447.22400	9.0
453.30014	0.9
471.31088	1.9
489.24261	0.6
489.32117	0.7
533.13336	1.4
533.30725	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03463	0.5
59.01380	4.0
59.01634	0.3
61.98847	0.4
65.03963	0.3
69.03458	0.6
69.36025	0.2
70.87580	0.2
71.01371	5.2
73.02932	2.0
81.03448	0.3
82.95428	0.5
83.01402	1.0
83.05038	0.6
85.02943	4.1
87.00850	0.4
87.04514	0.6
89.02425	0.3
93.03438	6.5
95.01385	0.3
95.05022	0.4
96.95981	0.3
97.75625	0.2
99.00880	0.9
101.02435	2.4
106.04230	18.5
107.05016	34.3
108.02168	4.8
109.02962	1.8
111.04490	0.4
113.02441	5.8
114.93389	6.3
115.00380	0.2
116.92882	2.5
121.02944	6.1
123.04556	0.3
135.04507	1.4
135.06447	0.2
136.34779	0.2
138.03242	1.7
144.97238	0.2
145.02979	0.3
159.82304	0.3
161.04616	0.4
167.07152	1.2
171.08138	0.3
175.80705	0.2
183.96767	0.2
191.05580	4.6
213.09213	100.0
214.09567	1.2
257.08185	72.1
258.08618	0.5
341.06436	0.3
419.13492	20.6
450.47195	0.3
533.16718	0.5
533.30469	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	533.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41000	0.5
51.86835	0.6
71.01384	1.1
73.02953	0.7
93.03460	2.2
106.66360	0.6
117.03432	6.0
119.04997	1.2
133.06602	1.0
135.04475	4.6
149.02431	0.7
149.06023	0.7
158.43657	0.7
161.02399	4.4
163.03983	2.6
173.06044	0.9
175.03972	0.8
177.01959	0.8
177.05624	1.1
179.03447	0.9
187.03917	1.0
189.01904	0.9
189.88745	0.6
191.03433	1.0
191.05557	2.6
203.03423	1.3
217.05048	0.8
252.21593	0.7
253.08693	0.7
267.06549	1.0
268.07391	0.8
281.04575	1.1
282.05228	2.3
283.06122	9.0
295.06131	9.2
296.06818	4.0
297.07654	23.1
307.06088	4.8
309.07690	4.1
311.05606	4.4
322.05042	0.7
323.05569	7.0
325.07123	10.1
328.05872	5.8
335.05573	2.6
337.07153	4.0
341.06827	1.2
353.06631	37.6
356.05283	0.8
365.06555	8.1
383.07666	31.0
395.07907	4.6
407.07562	1.0
413.09024	5.8
425.08853	3.6
443.09747	11.1
455.09576	1.4
473.10782	6.7
507.77954	0.7
515.11597	1.3
533.13013	100.0
534.13422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.89250	0.3
59.01382	1.8
60.99294	0.4
63.74934	0.2
65.57243	0.3
67.01894	2.4
69.03472	0.3
71.01369	3.0
73.02944	0.5
78.98679	0.3
81.03462	1.4
83.05032	0.7
85.02937	14.1
87.00862	6.0
92.10924	0.6
93.03440	19.1
99.04472	0.4
101.02483	0.3
108.02168	3.2
109.02935	11.4
111.04491	3.8
115.00368	2.3
121.02958	2.1
123.04540	0.5
127.03959	4.2
133.02954	0.6
135.04468	3.9
137.02390	0.5
146.03781	0.3
147.04466	0.6
148.05365	0.4
149.06070	1.7
155.03505	0.6
159.04521	0.4
161.02440	0.5
161.06071	2.7
162.06767	0.5
163.03995	1.9
169.14365	0.3
171.02997	0.4
173.04514	8.1
173.05862	0.5
175.03992	0.6
179.03529	0.6
187.04010	0.6
188.04854	0.3
189.01871	0.4
191.05602	100.0
192.06012	1.1
193.06133	0.4
213.05577	2.2
214.26192	0.3
223.76891	0.3
224.04480	0.3
225.05524	0.5
226.06352	0.4
233.06673	0.7
239.03357	0.4
241.05095	4.5
242.05830	13.2
243.06558	6.2
255.06523	0.4
257.04596	1.8
269.07990	0.7
271.09689	10.8
282.05331	0.5
289.05594	2.1
297.07617	4.7
299.05551	2.8
341.06754	0.6
359.07678	7.6
489.13901	1.3
533.13013	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1297
Annotation	LLP3
Peak:m/z	Relative Intensity
52.66586	0.2
57.14580	0.2
59.01390	0.5
67.01865	0.3
71.01356	0.5
85.02940	9.1
85.03424	0.5
86.70083	0.2
86.88554	0.3
87.00871	1.9
93.03433	4.3
99.04497	0.3
109.02934	8.7
111.04510	1.6
121.02970	0.3
127.03986	2.1
133.02940	1.2
134.03760	0.3
135.04501	12.9
145.02916	1.3
146.03745	0.4
147.04512	1.5
149.06056	3.8
150.03270	0.3
161.02417	5.5
161.06075	2.7
163.03987	0.3
173.04523	1.9
175.03946	2.9
175.32532	0.4
179.03447	1.3
187.03996	5.3
191.05597	100.0
203.37277	0.3
219.02876	2.6
231.02980	3.1
253.08513	0.4
255.06660	3.1
271.09656	0.4
281.04532	0.6
297.07767	2.6
341.06616	10.1
353.08752	5.9
359.07651	0.6
533.13025	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84966	0.4
53.16372	0.4
56.49320	0.4
59.01387	2.9
67.01886	1.0
71.01356	1.7
83.05013	0.5
85.02938	12.8
87.00854	4.6
89.03937	3.4
93.03439	12.1
96.95992	14.2
99.04478	0.6
109.02950	6.5
109.72907	0.5
111.04517	2.2
117.03442	23.7
119.05027	0.7
123.04510	2.2
127.03978	4.0
129.03456	0.5
131.05040	0.6
133.02939	5.9
134.03719	0.9
135.04500	43.7
137.02440	0.7
145.02939	5.4
146.03679	2.0
147.04506	7.1
148.05124	0.4
149.06049	2.5
155.03485	0.5
160.01610	0.9
161.02415	19.7
161.06052	1.0
171.02911	0.6
173.04533	3.6
175.03981	11.0
179.03459	8.9
189.01862	0.7
191.05598	100.0
192.05916	2.0
193.06210	0.6
205.01416	18.3
219.02966	35.9
229.01465	0.7
268.06778	0.6
271.09833	1.9
295.05640	1.0
297.07492	1.1
315.08557	1.9
325.11227	0.5
339.05145	0.6
340.05426	2.1
341.06616	27.7
353.08725	1.9
359.07767	0.8
515.11993	0.8
533.13043	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	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06335	0.5
52.56992	0.7
58.01608	0.5
59.01373	6.5
69.66283	0.6
71.01366	3.9
73.02943	1.4
80.91676	0.7
82.95402	5.8
84.95100	8.6
85.02929	4.5
87.00874	1.2
89.02438	1.1
93.03453	5.8
95.01366	0.8
96.76912	0.6
96.95991	4.3
101.02396	0.7
109.02940	3.4
111.04469	0.7
111.86517	0.6
113.02417	0.8
117.03442	9.4
119.04993	1.0
123.43988	0.8
123.58544	0.6
133.02930	2.5
134.01431	0.7
135.04497	7.1
145.02939	0.7
147.04544	1.2
158.65955	0.6
159.04500	1.2
161.02431	7.3
162.03049	0.7
163.03998	2.7
173.04456	0.8
173.06024	0.7
175.03975	2.9
177.01849	3.3
177.05542	1.3
179.03471	1.2
179.36176	0.7
187.03970	1.1
189.01877	3.4
191.03790	1.8
191.05602	39.1
192.05980	1.5
193.06145	0.8
203.03510	2.8
205.01428	0.9
207.62471	0.7
219.02773	0.8
245.04533	0.9
251.07018	1.2
267.06628	1.5
268.07333	0.9
282.05325	2.3
283.06177	5.7
284.03323	1.0
285.03897	1.1
295.06061	9.7
296.06793	4.5
297.07660	24.3
307.06299	2.4
309.04202	0.9
309.07642	3.8
311.05801	4.9
323.05713	5.1
324.06525	0.7
325.07242	10.6
328.05905	7.3
335.05676	3.5
337.07022	4.6
341.06461	3.2
350.81085	0.8
353.06628	42.2
355.08398	1.4
356.05429	1.5
365.06720	7.7
371.09753	4.5
380.63644	0.8
382.95889	0.8
383.07721	35.5
384.86105	0.7
395.07672	3.7
397.09512	0.7
405.28659	0.7
407.07590	1.2
413.08701	3.9
425.08813	2.2
427.58301	0.7
443.09787	15.2
473.10901	6.8
515.12079	1.4
533.12982	100.0
534.13074	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03451	0.2
59.01383	5.1
61.98829	1.7
65.00336	1.0
71.01387	2.5
73.02949	0.4
76.09528	0.2
78.95905	0.2
83.01400	0.9
85.02944	1.5
88.45036	0.2
89.02430	1.6
93.03452	0.4
96.95993	12.2
96.96967	0.5
98.54868	0.2
101.02419	1.7
107.01369	2.2
109.02970	0.4
113.02428	1.0
114.93369	1.5
116.92861	1.0
119.03490	0.4
121.02966	0.3
122.03707	0.3
125.02387	0.3
133.02924	10.8
135.04485	1.1
149.02429	1.7
151.00371	7.0
160.01660	0.3
161.02315	0.3
167.03474	0.2
171.04500	0.2
175.03987	4.1
178.02666	0.2
179.03242	0.3
191.05595	3.7
193.05035	0.5
194.05508	0.3
197.06041	0.4
198.03186	0.4
199.03993	2.9
201.01952	1.5
213.05605	0.5
215.03622	0.3
217.05046	1.9
235.56659	0.2
241.05089	1.3
243.02979	1.0
256.03751	2.5
257.04462	0.8
267.02829	0.3
274.96582	0.2
284.03220	3.0
285.04034	100.0
286.04346	1.3
297.38330	0.2
314.04797	0.2
342.52246	0.2
371.24557	0.5
473.06241	1.0
489.10370	18.5
503.30167	0.4
515.28705	0.8
533.12946	1.0
533.30060	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83408	0.1
59.01376	0.7
65.34495	0.1
71.01375	0.7
76.55874	0.2
79.95711	1.3
81.03436	0.7
83.05022	0.2
84.24699	0.1
85.02937	4.3
87.00852	1.3
93.03431	2.6
96.95988	100.0
106.04179	0.2
109.02917	0.7
111.04501	1.0
119.05000	0.2
123.04496	2.9
127.03984	1.4
133.02946	0.8
134.03716	0.7
135.04495	4.6
147.04460	0.3
161.02406	2.5
168.00653	0.2
171.03020	0.3
173.04549	0.9
175.03987	0.6
179.03389	1.1
191.05594	67.2
192.05965	0.9
219.02989	0.9
222.60066	0.2
229.08627	2.9
236.40862	0.2
248.89145	0.2
255.06612	0.8
271.09625	0.2
273.07709	0.9
341.06726	0.3
353.08783	5.4
359.07999	0.2
435.12946	2.8
533.13000	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	533.0935
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.87559	0.2
59.01373	1.7
59.20564	0.2
61.98835	1.3
62.83434	0.2
63.02402	1.4
64.79005	0.2
65.00331	1.1
67.01875	0.3
76.49567	0.3
82.95380	0.3
83.01394	1.5
93.03432	0.5
96.96012	1.3
98.95585	0.3
105.03461	0.3
107.01384	3.0
108.50471	0.3
109.02949	1.2
121.02930	0.4
125.01629	0.2
132.02182	0.4
133.02945	5.3
134.03746	1.3
135.04515	0.3
148.01744	0.4
149.02434	1.5
151.00375	5.5
153.64554	0.4
169.01384	0.5
175.03992	2.0
176.89180	0.3
177.01865	0.3
181.86871	0.3
187.04024	0.4
191.05595	2.8
198.03227	0.5
199.04015	3.1
200.04808	0.3
201.01942	0.6
203.78833	0.3
211.03996	1.6
212.04762	0.4
213.05548	0.4
215.03476	0.4
217.05066	1.2
227.03502	4.2
239.03481	0.6
241.05000	1.2
243.03021	0.4
255.03006	4.9
256.03793	4.7
257.04306	0.4
267.02856	0.5
269.04541	0.5
283.02527	1.1
284.03256	82.4
285.04041	100.0
286.04358	2.1
297.04001	1.1
327.05173	1.1
417.74554	0.3
447.09259	1.2
489.10382	74.2
490.10898	2.0
533.13184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26458	0.3
60.94053	0.3
62.52249	0.4
63.48900	0.3
64.33553	0.3
69.03465	0.4
69.38728	0.3
71.01379	3.0
72.99294	0.6
73.02956	0.4
79.96514	0.3
83.01391	0.6
85.02928	2.7
87.00878	0.5
89.02445	2.4
93.03458	1.2
96.95988	18.6
96.96925	0.6
99.00858	0.4
101.02444	1.4
101.06065	22.2
103.88730	0.3
105.04208	0.3
105.41424	0.4
108.02161	58.0
109.02943	10.6
113.02443	2.1
116.16119	0.3
119.03491	1.3
121.02930	0.5
123.04498	0.3
125.02399	0.4
132.61087	0.3
133.02948	0.6
135.04482	1.5
151.56593	0.3
152.01137	100.0
153.01964	2.5
161.02376	0.8
163.04025	2.9
177.01939	0.4
179.03549	0.7
179.05495	0.7
191.05609	5.8
198.24307	0.3
207.02968	0.3
267.06454	0.4
277.89966	0.4
339.05081	0.4
429.10379	7.8
486.32687	0.3
531.17200	62.0
532.17383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
57.03444	0.7
58.00591	2.1
59.01374	100.0
61.98826	1.3
69.03439	5.7
71.01369	37.5
72.99297	2.4
73.02933	15.7
73.03324	0.7
81.03450	3.4
82.95401	4.3
83.01368	5.2
85.02937	15.2
87.00865	2.3
87.04517	0.4
89.02428	19.7
92.10105	0.6
92.63456	0.4
95.01385	2.2
96.95991	0.4
97.02922	8.6
99.00862	2.2
100.66673	0.4
101.02424	19.3
103.03996	18.7
109.02949	0.6
113.02413	2.5
115.03994	1.6
119.03489	7.7
119.59893	0.4
125.02422	22.8
127.03998	1.4
131.03424	0.5
143.03503	3.2
145.05048	3.3
147.04471	0.6
148.05290	50.9
151.00334	1.7
154.12598	0.4
163.06087	19.3
163.07614	14.9
184.27365	0.4
191.05550	1.9
205.07138	1.3
247.08224	5.0
285.04111	0.7
307.10342	17.5
452.77905	0.5
470.86224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3689
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
54.97775	0.5
59.01375	100.0
62.34525	0.5
71.20934	0.6
73.76278	0.6
79.61895	0.6
86.71927	0.6
95.63309	0.6
116.38978	0.8
151.61627	0.7
152.99504	1.0
175.09088	0.6
191.05644	1.1
217.50002	0.8
268.23312	0.8
274.23935	0.6
400.92599	0.7
471.34818	25.0
491.86447	0.8
531.30481	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	531.3702
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
56.09332	0.3
59.01376	100.0
71.01375	0.3
73.60179	0.3
76.56371	0.3
78.95885	0.3
85.02929	0.7
92.10102	0.7
93.03440	0.4
104.04372	0.3
126.85202	0.3
191.05602	5.1
192.05925	1.4
193.06099	1.2
210.40698	0.3
227.03458	0.7
277.21539	0.5
279.22641	0.4
283.13470	0.6
287.88077	0.4
370.43326	0.4
399.64969	0.4
400.15088	0.7
471.34744	7.5
485.32834	3.2
530.76056	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	531.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03442	3.0
59.01373	33.3
61.64952	0.6
61.98818	12.1
67.01875	2.8
68.99545	5.5
69.03448	1.0
71.01021	1.4
71.01373	21.0
72.99284	1.0
73.02942	4.5
81.03473	0.8
83.01397	3.3
85.02930	11.3
87.00415	0.6
87.00854	6.2
89.02437	6.8
89.06059	5.1
93.03445	21.3
94.98069	3.3
95.01379	1.5
96.83868	0.7
96.95995	9.1
97.02928	0.8
98.95624	0.9
99.00864	3.3
101.02420	8.0
107.05013	1.6
109.02955	5.7
111.00883	1.5
111.04533	3.7
112.98543	4.4
113.02436	5.1
113.06065	4.8
119.03490	0.9
121.02921	10.4
125.02439	1.0
127.03955	1.4
132.02136	10.9
133.02928	13.0
134.03722	75.4
135.04506	7.2
137.02426	13.0
139.03967	5.9
145.02902	1.1
146.08228	1.0
147.04474	1.5
148.05229	1.0
149.06064	20.3
150.03169	3.4
151.00362	0.9
155.19820	0.7
159.02924	0.8
159.04494	1.5
160.00301	1.6
160.01640	48.9
161.02431	11.8
161.04524	1.4
163.03883	0.8
167.03447	1.0
171.04436	1.3
173.04541	7.3
175.03981	38.7
175.07526	1.5
176.97122	0.7
177.01883	3.2
178.02682	55.9
179.03380	1.5
182.02180	1.1
189.05554	5.4
191.05594	54.1
192.04335	1.7
192.05968	1.0
193.05031	100.0
202.06337	0.9
203.07150	1.6
207.06630	1.1
215.05669	1.3
237.07698	6.1
296.10590	1.7
323.07715	3.4
325.14563	5.6
337.09262	31.8
339.01932	1.3
339.05176	1.4
339.08469	6.9
351.07159	3.1
369.13480	13.1
381.11945	7.4
468.15710	1.2
471.06555	11.7
471.25607	1.7
531.15186	14.6
531.28284	1.4
547.58826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57581	1.1
85.02943	14.7
87.00871	1.8
87.46842	0.9
93.03431	8.7
96.96011	5.7
101.37297	1.1
104.75585	1.1
109.02948	23.1
110.17381	1.1
111.04490	1.4
111.99495	1.1
121.02952	2.2
127.04011	2.1
128.64064	1.1
133.02953	1.5
137.02388	1.4
145.02940	10.5
147.04541	10.1
150.23090	1.2
150.24376	1.1
157.02928	7.3
158.03722	1.9
159.04501	15.5
161.29980	1.1
173.02408	2.1
173.04599	2.2
175.03986	6.8
185.02396	5.7
186.03256	1.9
191.05609	96.5
193.06593	1.3
220.05194	1.4
221.06041	5.1
224.04695	1.4
225.05586	1.3
229.01401	53.3
230.02113	1.3
239.07095	7.0
248.04753	2.1
249.05605	13.5
250.06276	5.8
251.07065	1.4
253.04965	1.5
265.05151	1.9
266.05725	5.0
267.06622	32.0
269.08200	1.7
277.05029	21.6
278.05939	2.6
280.03909	1.7
293.04572	4.9
294.05246	4.7
295.06094	38.0
339.05112	100.0
340.05035	1.3
487.12408	1.7
531.11298	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	531.1145
Annotation	Trilobatin D
Peak:m/z	Relative Intensity
55.01621	0.7
59.01363	13.8
67.01857	0.7
69.03414	0.6
71.01379	8.3
74.56187	0.7
74.80261	0.6
81.03465	0.8
82.95411	1.5
85.02936	17.9
87.00858	4.0
89.02431	5.0
92.10822	1.2
93.03436	10.7
96.95994	38.5
96.96937	1.1
98.95576	1.7
101.02451	3.7
108.02159	1.2
109.02937	27.2
111.04514	3.7
113.02418	4.5
115.00251	0.7
119.03445	1.0
121.02933	4.0
125.02445	1.6
127.03989	4.5
129.03404	0.9
133.02936	1.2
137.02408	3.3
145.02953	11.7
146.03729	0.9
147.04523	11.7
149.02509	0.9
151.04019	0.9
157.02921	10.1
158.03682	1.5
159.04501	17.8
161.02412	2.9
161.04507	1.6
163.03975	1.8
173.02362	5.5
173.04517	4.2
175.03979	7.0
177.01917	3.4
177.40385	0.8
179.05606	1.1
185.02411	6.7
186.03195	0.7
187.03908	1.3
191.05606	98.4
192.05853	0.8
193.06531	1.6
197.05971	0.9
201.01982	2.7
203.03444	0.8
211.07645	1.3
220.05220	0.9
221.06094	5.1
222.63351	0.7
224.04749	1.4
225.05510	1.3
229.01410	51.2
230.02028	0.9
233.06093	0.8
237.05327	0.9
238.06282	1.7
239.07173	7.3
248.04628	1.7
249.05614	12.3
250.06410	5.0
251.07086	1.1
253.04980	3.4
265.04987	1.6
266.05774	5.7
267.06628	28.2
269.08099	5.8
276.04236	0.9
277.05054	23.0
278.05688	3.1
280.03735	1.3
289.07199	0.9
293.04678	8.0
294.05276	4.2
295.06094	45.4
311.05521	0.8
339.05099	100.0
340.05447	1.2
357.06165	1.1
442.34274	0.7
487.12607	1.6
494.67255	0.8
531.11377	38.3
531.19269	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	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01369	7.3
60.93414	0.4
67.01895	1.1
69.03477	0.7
71.01387	4.9
73.02962	1.0
78.91705	0.5
81.03502	0.5
82.95420	17.7
82.95895	0.8
83.05031	0.8
85.02954	15.3
87.00864	4.8
89.02422	0.8
93.03444	9.3
96.96000	42.2
96.96993	1.3
98.95583	1.0
99.04508	0.8
101.02439	2.6
108.02202	0.7
109.02945	20.6
111.04542	2.3
113.02444	0.8
117.03443	0.8
119.04985	0.6
121.02921	2.5
123.04482	0.8
125.02454	0.6
127.04016	5.0
129.03453	1.0
133.02948	2.3
134.03801	0.6
135.04526	2.8
137.02419	2.8
145.02950	7.6
146.03680	0.9
147.04520	6.7
149.02428	0.6
157.02945	6.5
158.03767	1.0
158.57661	0.5
159.04492	11.2
161.02390	2.7
163.04041	2.5
173.02432	4.0
173.04573	4.5
174.03168	2.0
175.03986	5.8
177.01910	0.6
180.93275	0.6
185.02405	4.5
186.03165	0.9
187.04013	1.0
191.05602	100.0
192.05884	2.2
193.06548	0.9
197.06056	0.9
201.01974	2.5
208.37874	0.7
211.07700	1.2
217.24919	0.6
220.05252	0.8
221.06137	4.2
223.07639	0.8
224.04709	0.9
225.05659	1.0
229.01413	41.9
230.02000	0.8
232.05321	0.7
238.06247	0.7
239.07158	4.3
248.04829	1.2
249.05551	7.3
250.06297	3.0
251.07062	0.7
253.04959	1.0
260.04910	0.6
265.05005	2.8
266.05835	2.8
267.06613	21.5
268.07068	0.7
269.08176	2.3
273.06226	0.6
276.04242	0.8
277.05026	15.5
278.05685	3.6
280.03714	0.8
292.03586	0.6
293.04538	5.4
294.05280	3.4
295.06104	26.5
297.04053	0.9
299.05618	0.6
327.05054	2.9
339.05093	74.7
340.05209	0.7
357.05795	0.7
384.94821	0.6
447.09427	2.7
449.78519	0.6
487.12302	1.9
519.99658	0.5
531.11340	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	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62572	1.0
59.01374	100.0
61.98844	2.1
85.02934	1.6
93.03437	1.7
113.96734	1.1
113.98346	1.6
157.17500	1.4
179.20741	1.3
191.05579	12.5
203.00114	1.2
213.47501	1.3
237.86043	1.4
337.67029	1.5
353.58539	1.3
397.89276	1.3
483.31168	2.5
529.36151	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	529.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49574	0.8
55.14340	0.9
59.01381	100.0
71.01376	1.3
81.84492	0.9
85.02965	5.6
87.00859	1.9
87.96254	0.9
93.03457	4.8
135.04448	1.7
173.04599	1.1
191.05591	31.8
192.05960	1.5
222.51273	1.3
277.21579	2.1
283.13400	4.2
311.13077	1.3
399.14566	1.8
408.92758	1.1
453.33768	2.2
469.33218	3.9
471.34802	1.7
529.25067	1.6
529.35889	11.5
529.75610	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	530.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17144	0.2
54.56400	0.2
59.01373	8.6
60.01708	0.5
61.98822	100.0
66.79215	0.2
67.01878	0.4
69.11185	0.2
71.01357	2.3
85.02953	1.0
87.00865	1.3
88.98779	0.2
89.02427	2.6
92.10220	0.7
92.65217	0.2
93.03434	3.3
96.85809	0.2
96.96004	0.6
101.02412	1.1
109.02941	0.3
111.04510	0.3
113.02411	0.5
118.47419	0.2
119.03484	1.4
135.04504	0.4
139.13794	0.2
146.44022	0.2
149.04372	0.2
173.04529	1.4
174.03438	0.2
179.05545	1.4
191.05598	3.5
192.05931	0.4
261.18771	0.3
262.18723	0.4
370.09195	0.3
439.00018	0.2
449.14279	1.0
467.15332	1.8
469.24384	0.3
470.24689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
86.19733	1.8
87.47417	1.7
91.46434	1.5
92.10844	7.8
94.01218	1.7
98.07044	1.6
103.38311	1.7
121.22153	1.5
149.74013	1.7
156.13757	1.6
191.05603	3.2
227.52977	1.6
237.91205	1.7
241.90782	2.0
394.03894	1.9
425.34210	2.5
475.89969	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	529.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61650	0.3
58.12374	0.3
59.01377	8.4
64.92083	0.3
71.05021	2.2
71.68325	0.4
77.19733	0.4
123.32401	0.4
177.42560	0.4
181.88155	0.5
216.62720	0.4
395.81723	0.5
405.31610	0.7
407.33212	2.7
423.32520	1.8
425.34351	2.4
427.32645	0.8
439.32083	0.9
443.35388	1.9
446.49258	0.4
451.32251	1.0
469.33347	5.9
511.34329	13.4
513.32489	0.9
529.35339	100.0
530.35571	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49574	0.8
55.14340	0.9
59.01381	100.0
71.01376	1.3
81.84492	0.9
85.02965	5.6
87.00859	1.9
87.96254	0.9
93.03457	4.8
135.04448	1.7
173.04599	1.1
191.05591	31.8
192.05960	1.5
222.51273	1.3
277.21579	2.1
283.13400	4.2
311.13077	1.3
399.14566	1.8
408.92758	1.1
453.33768	2.2
469.33218	3.9
471.34802	1.7
529.25067	1.6
529.35889	11.5
529.75610	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	529.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03437	0.8
58.00583	0.7
58.41856	0.7
59.01375	100.0
61.98834	4.8
67.01890	0.8
71.01369	37.9
71.01741	1.6
72.99302	3.2
73.02953	1.4
78.95911	0.9
83.01400	3.0
85.02937	13.1
87.00864	4.5
89.02429	53.2
93.03450	7.1
95.01360	3.1
96.95992	14.3
101.02428	24.5
102.00037	0.7
109.02942	8.7
113.02435	18.5
119.03462	17.7
123.04467	0.9
125.02429	2.9
125.56860	0.8
133.02928	1.3
135.04515	10.9
137.02425	0.9
138.05643	1.1
143.03476	3.0
145.02913	1.3
146.06090	0.8
149.04492	1.4
150.10049	0.8
151.03920	1.0
153.01917	4.5
161.02399	3.7
161.04553	5.2
173.04512	3.2
175.03841	0.8
177.01936	1.7
179.03400	1.3
179.05611	12.4
191.05579	22.7
192.05963	1.7
219.02992	9.7
267.06631	2.6
277.17834	1.2
314.04596	0.8
329.06860	1.5
337.03348	3.2
395.20798	11.7
407.20734	19.2
433.22241	15.5
451.23209	1.5
469.24457	15.9
483.08749	1.0
529.09100	0.9
529.19501	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	529.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53141	0.5
55.01887	1.4
57.03452	4.6
58.00598	2.2
59.01374	100.0
61.98835	4.0
68.54254	0.7
71.01368	46.5
72.99329	1.1
73.02929	7.3
75.20606	0.5
83.01363	5.8
83.05033	4.0
84.42237	0.6
84.53614	0.5
85.02930	18.4
85.03407	0.7
86.00086	2.2
87.00861	6.7
89.02422	39.0
92.10152	0.9
93.03468	2.6
95.01373	4.0
96.95974	6.7
99.00886	3.4
101.02421	25.1
107.05025	0.7
109.02965	3.0
113.02436	19.0
113.03185	0.9
113.06084	2.6
117.03410	0.9
119.03476	12.4
119.08633	0.8
123.04473	0.7
123.08149	15.9
125.02430	2.5
134.03729	2.9
135.04503	2.6
137.09700	1.3
143.03503	4.1
145.02930	1.1
145.05080	6.1
147.08061	0.6
149.04550	1.1
153.01935	2.5
153.05653	0.6
153.09195	8.4
159.02986	2.1
161.04533	19.5
161.13354	1.3
163.11194	1.0
173.04556	1.0
179.05583	13.1
179.10608	0.8
191.05551	10.3
191.34242	0.7
193.05029	2.6
200.09772	0.6
201.12717	0.7
203.14427	3.4
235.08197	8.3
289.18085	16.0
307.18924	1.0
321.15585	0.7
322.04718	0.8
337.03580	1.4
337.07086	1.3
451.23218	2.3
469.24493	1.1
529.10986	0.6
529.19019	0.7
529.62622	0.8
547.56354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25874	1.0
56.11769	1.0
57.03455	23.9
58.00612	2.1
59.01384	100.0
59.28673	1.2
61.94424	1.1
71.01380	60.1
72.99330	2.9
73.02961	6.6
78.95912	1.3
81.03474	1.9
82.19063	1.1
83.01381	2.3
85.02937	20.3
87.00863	34.1
89.02431	65.0
93.03471	5.6
95.01406	2.2
96.96007	6.9
98.95596	2.0
99.04510	28.9
99.05106	1.4
101.02419	30.3
111.00842	1.7
112.34464	1.1
113.02445	25.4
115.00359	59.4
119.03479	25.1
125.02414	18.1
131.03453	1.9
135.04498	1.4
137.02525	1.1
139.00325	1.7
143.03506	9.6
149.04567	1.9
154.97867	1.2
161.02437	1.9
161.04555	20.4
173.04565	2.3
175.02467	87.3
175.03992	2.9
179.05594	40.5
189.05650	2.2
191.05611	90.3
192.06001	1.4
233.04536	2.3
263.07687	8.9
278.80707	1.2
323.09839	46.8
323.13541	11.8
337.05707	9.3
353.08682	11.8
355.10443	2.7
489.94162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01380	2.4
60.19801	0.3
60.42994	0.3
61.98821	0.8
67.01879	0.5
71.01374	2.4
72.86388	0.4
72.99294	0.8
83.01373	0.4
85.02930	3.4
87.00877	1.7
93.03423	5.5
96.95991	5.6
99.04501	13.0
101.02401	0.8
108.02161	58.0
109.02939	9.9
111.04498	0.6
113.02428	1.6
121.02914	0.6
123.04501	2.2
125.02451	1.6
135.04527	1.6
137.02374	0.7
145.02940	2.3
147.80595	0.4
148.19374	0.4
152.01137	100.0
153.01971	3.0
161.02528	0.5
161.04538	0.4
163.04019	3.0
173.04526	1.5
173.05981	0.5
177.01868	0.5
188.16740	0.4
191.05612	11.2
217.73769	0.4
230.84201	0.4
257.07916	0.4
259.95309	0.4
322.04999	0.4
337.07300	3.5
341.43527	0.4
355.08237	0.9
429.10318	9.9
447.11679	1.9
466.09869	0.7
506.78458	0.4
529.15588	59.5
530.16107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60564	0.6
59.01375	58.6
68.47040	0.5
71.05013	2.5
73.23731	0.5
82.12590	0.6
110.23961	0.7
132.71581	0.6
164.17824	0.6
191.05611	3.7
218.14137	0.6
404.64725	0.6
405.31696	1.5
421.31348	0.8
453.33795	3.5
455.35065	1.0
465.30084	1.4
467.31451	3.0
491.28262	0.8
509.32657	12.5
527.33740	100.0
528.34125	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	527.3503
Annotation	FR 252922
Peak:m/z	Relative Intensity
57.90921	5.4
59.01376	59.2
61.98825	74.3
72.36039	6.1
75.14053	5.9
85.02949	10.8
93.03445	11.9
104.04635	6.8
112.72072	7.0
135.04500	7.7
191.05574	94.7
192.05904	8.8
311.22079	7.8
336.57162	7.0
367.60104	6.6
527.35010	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	528.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59758	1.4
61.98834	1.4
95.11904	1.4
119.14709	1.4
178.22125	1.3
206.50542	1.5
455.35321	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	528.369
Annotation	Unknow
Peak:m/z	Relative Intensity
99.22847	1.3
104.21835	1.3
143.00128	1.2
192.05754	1.4
233.36951	1.5
240.10223	1.3
312.30374	1.5
324.84384	1.6
455.35336	100.0
456.35403	2.2
458.87509	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	529.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19969	0.4
55.93723	0.5
59.01373	14.8
65.82014	0.5
71.01367	18.7
72.99329	0.6
73.02942	1.4
73.74933	0.5
85.02927	6.7
87.00862	40.3
93.03449	3.1
96.96024	0.6
99.00855	0.7
111.04523	1.0
113.02480	0.8
115.00357	63.7
116.00677	0.6
127.03995	0.9
139.00287	1.1
149.02466	0.6
156.17085	0.6
157.01434	0.9
161.02477	2.4
173.04546	0.8
175.02458	100.0
179.03493	1.0
189.05560	2.8
191.05602	97.8
203.91449	0.7
215.03471	1.0
233.04613	1.4
259.02432	0.6
277.73929	0.6
284.52551	0.6
337.05624	11.2
341.47171	0.6
353.08731	11.7
371.09778	0.8
383.98077	0.6
533.50055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	57.3
61.98842	9.5
65.74885	5.4
68.75578	5.3
70.90723	6.4
71.01372	6.6
72.02641	5.3
85.02952	11.7
93.03448	11.4
135.04607	6.2
180.67479	5.6
191.05603	100.0
251.44269	7.2
257.38101	5.9
271.07684	6.7
279.77478	5.7
281.15454	6.7
367.13281	6.8
455.31683	7.6
527.33051	22.5
552.88318	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	527.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.19287	1.0
59.79756	0.9
61.79123	1.1
61.98817	1.6
67.83952	1.0
78.95925	1.4
81.19979	1.1
85.02964	1.2
91.63541	1.1
93.03480	1.8
93.70100	1.0
96.51455	1.0
102.95132	1.1
103.44793	1.1
141.65703	1.1
191.05615	15.7
415.54510	1.3
423.32666	19.7
469.33087	10.0
527.29132	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	527.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72614	2.7
56.48074	2.3
58.49638	2.8
59.01378	3.2
59.93851	2.2
61.91859	2.6
62.53510	2.4
71.05029	3.3
95.35245	2.6
186.88530	3.1
191.05574	21.8
255.23358	2.9
267.49533	3.0
285.12598	3.0
401.74667	3.3
407.33426	4.2
451.31924	22.3
453.33514	13.6
469.33203	42.3
470.33725	6.5
527.29016	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	527.3006
Annotation	methyl ganoderate D
Peak:m/z	Relative Intensity
50.22734	1.9
59.01376	14.4
62.64261	2.1
83.05032	15.7
85.02942	3.7
87.00853	2.5
93.03443	3.8
97.15741	2.5
191.05588	22.2
207.95570	2.5
247.63448	2.5
302.77158	2.5
304.00885	2.3
401.30560	24.1
407.29907	4.0
433.27289	3.4
445.29434	14.7
479.28290	4.0
489.35480	2.8
509.28912	14.1
527.30035	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	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87364	0.8
54.81229	0.9
55.01888	1.2
57.03457	1.1
59.01381	100.0
60.65816	0.8
61.98834	5.2
63.29010	1.0
69.51465	0.9
71.01376	10.0
73.02941	2.2
78.95888	3.8
83.01415	1.2
85.02941	9.1
89.02443	1.5
93.03425	2.2
101.02449	6.3
113.02441	4.7
161.04535	4.5
191.05623	14.4
233.44125	1.1
362.31320	1.0
467.29999	9.7
485.31424	9.1
512.74579	1.2
527.34985	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	527.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.4
60.98981	0.6
60.99300	18.2
60.99600	0.7
61.98824	1.6
65.96857	0.3
67.60146	0.4
71.01378	0.6
71.04996	0.6
75.65649	0.4
85.02917	1.5
87.00847	0.8
88.00404	0.7
88.98791	100.0
89.02429	7.4
92.10890	0.5
93.03448	1.5
100.91228	0.4
163.00127	0.5
191.05583	9.9
213.01579	0.4
221.11757	0.5
267.48932	0.4
273.16846	0.5
311.12808	0.4
527.22693	3.1
527.73297	0.6
540.99890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81653	0.5
57.03445	4.8
59.01374	52.5
59.45120	0.6
61.98822	7.5
63.14949	0.5
69.03481	0.7
71.01379	4.8
72.12276	0.5
83.05052	1.0
85.02934	2.5
88.98789	0.8
89.02431	2.6
90.16385	0.5
92.10092	0.6
95.01334	0.7
98.97009	0.5
101.02459	3.7
107.05040	1.2
113.02446	2.5
121.06562	5.8
123.00823	0.7
123.08145	21.6
124.01646	8.7
124.47617	0.6
133.06573	6.8
134.07365	13.8
135.08185	1.0
136.05319	0.9
139.03987	5.4
139.11250	2.2
148.05284	0.7
149.09712	5.5
154.59897	0.5
161.04532	1.1
162.06854	2.3
166.06313	3.0
173.09673	7.9
178.43542	0.5
183.10257	6.0
189.12820	2.6
191.05598	2.8
201.12871	0.7
208.24586	0.6
217.15958	7.1
241.05701	0.6
245.15414	0.9
261.18573	100.0
262.18857	0.8
264.73795	0.7
272.05627	0.6
272.14093	2.4
272.32114	0.5
287.16525	15.3
298.12070	0.6
305.17575	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59300	0.5
59.01378	3.3
60.59470	0.5
61.98819	0.6
63.96241	0.6
69.03437	1.1
71.01365	10.2
72.99289	2.8
73.02939	1.3
78.98577	6.6
79.95712	11.1
79.96105	0.7
80.96500	79.0
81.03445	0.6
85.02930	4.8
87.00864	3.9
88.98765	0.6
93.03458	0.6
94.98057	20.1
96.95983	6.9
97.02924	2.5
101.02428	3.9
106.98041	4.3
109.02956	0.8
113.02387	1.1
122.97551	7.0
123.04554	0.7
125.02419	4.1
127.04019	1.2
132.03786	0.6
133.02887	0.7
134.97571	6.7
135.04489	3.2
136.99084	1.0
138.03218	0.7
148.99103	9.8
152.98616	9.8
164.98589	15.3
173.53708	0.6
179.03444	0.8
182.99680	2.6
183.13895	7.4
191.05597	5.2
197.04489	3.1
206.99730	4.5
225.00722	21.7
243.01816	1.0
251.85686	0.7
256.69003	0.7
260.02896	0.7
270.70786	0.6
283.07361	0.8
289.66809	0.7
299.04364	3.5
302.03665	0.8
451.16992	2.5
483.18982	0.6
527.18030	100.0
528.18329	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87826	0.4
58.09277	0.4
59.01373	8.6
59.55396	0.4
60.01247	0.4
61.95356	0.4
61.98829	1.1
71.01367	5.0
73.02920	0.9
79.95721	0.5
80.15462	0.4
80.87261	0.5
80.96497	5.6
83.01376	0.8
85.02953	3.0
89.02434	2.4
93.03444	2.1
94.98067	3.0
96.95990	6.1
101.02426	2.9
105.43116	0.5
109.02956	1.2
113.02450	2.1
117.03452	0.8
124.01543	0.7
125.02415	0.6
132.02145	1.2
133.02945	20.4
134.03722	2.9
135.04501	58.0
137.02400	0.6
139.03911	0.6
148.99120	0.6
151.04033	1.0
157.12338	0.9
158.56679	0.5
159.02969	0.5
160.01659	2.0
161.02419	100.0
162.02846	0.6
164.98534	0.8
179.03477	38.5
191.05600	8.1
203.12851	5.8
283.97559	0.5
299.02014	0.7
321.60089	0.5
323.07645	10.0
329.06781	0.8
335.20807	2.9
341.08740	7.9
365.16025	19.7
387.08264	0.5
467.24817	3.4
527.21661	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	526.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
61.98825	100.0
63.99275	0.2
71.01368	3.2
73.02933	0.5
85.02947	0.7
87.00863	0.3
89.02415	2.5
98.34666	0.3
99.04411	0.3
101.02424	3.3
103.36630	0.3
113.02445	1.5
119.03481	0.5
119.05024	0.5
126.90905	0.3
135.04485	0.5
161.04564	0.6
163.03995	0.7
165.12808	4.1
181.20715	0.3
183.13890	46.1
184.14134	0.5
191.05585	1.9
201.11441	0.3
227.12897	3.2
253.09337	2.3
253.13544	0.3
449.17865	0.3
463.21881	44.1
464.22165	0.5
526.27875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42223	0.3
63.38126	0.3
70.05030	0.3
75.23640	0.3
75.41685	0.4
78.35869	0.3
78.95895	64.1
85.02957	1.7
93.13165	0.3
96.96947	100.0
102.23941	0.3
142.78989	0.4
155.37125	0.4
166.71838	0.4
166.97505	2.6
168.79771	0.3
184.98549	61.4
191.03983	0.5
191.05606	9.5
192.10545	0.3
226.87843	0.4
393.66562	0.4
433.11401	0.4
436.37924	0.4
535.97400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12812	0.3
56.89213	0.3
59.01381	1.2
67.01913	0.5
71.01383	0.7
73.02943	0.4
74.85801	0.3
78.95905	2.5
81.03461	0.5
84.71763	0.3
85.02940	11.7
85.03404	0.4
87.00865	3.0
93.03438	6.9
93.58418	0.3
96.96017	1.6
99.04504	0.4
109.02979	0.6
111.04538	1.7
122.50351	0.3
123.00891	0.4
123.04556	0.3
127.03991	3.1
133.02969	1.7
135.04550	0.5
137.02422	0.4
151.04030	3.2
153.05565	0.5
154.97481	0.3
159.04488	0.4
161.02429	1.3
171.02966	1.4
173.04564	2.1
175.04012	0.7
177.01913	1.3
177.05527	0.5
178.02727	0.4
179.03389	0.4
187.04021	0.6
190.02704	8.3
191.05605	100.0
192.05977	1.4
203.01807	0.4
203.03531	0.6
205.05119	0.7
231.03009	1.9
291.05170	4.4
335.00250	0.5
335.04105	10.5
353.04938	0.7
353.08746	4.9
439.09674	0.4
527.10352	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	526.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48105	0.6
51.12535	0.6
51.55652	0.5
57.31323	0.6
58.85775	0.6
59.01384	4.0
61.98824	100.0
63.07523	0.6
71.01382	0.9
80.04446	0.6
82.40362	0.7
92.10900	1.1
109.02959	0.9
113.02448	0.8
116.92847	1.2
135.04503	12.4
146.63867	0.7
165.01894	8.9
191.05588	4.0
249.82941	0.8
301.07202	8.8
450.16824	1.0
463.12454	4.4
526.18225	1.6
533.87683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41906	1.5
59.01382	8.9
61.98814	13.5
71.01345	3.0
76.56172	1.9
78.95894	1.8
81.85719	1.7
85.02937	4.1
91.01867	3.8
93.03453	2.1
96.95974	2.0
99.00893	2.2
101.28053	1.8
122.06078	10.8
132.04564	3.0
135.00879	18.5
137.02437	2.6
138.05507	2.7
146.02339	2.4
153.01892	3.4
159.03168	2.4
160.01540	3.4
160.03963	7.9
175.04025	3.6
176.03418	2.3
190.05017	4.5
191.05641	16.9
192.05978	2.3
192.76392	1.8
198.04243	2.5
223.08698	8.1
224.09421	2.3
225.06575	2.0
227.08051	2.1
237.06641	7.5
239.04553	3.1
239.08249	4.7
239.11812	4.3
242.56224	2.0
251.04373	2.5
251.08195	7.0
252.08965	3.2
253.06129	13.3
253.09743	8.0
255.11467	2.7
265.06165	22.2
266.06702	2.8
267.07632	9.0
268.08517	2.9
279.07718	8.3
280.08371	10.1
281.09250	10.9
282.09814	2.7
283.10931	20.1
284.08768	2.2
291.82141	2.0
293.09344	2.2
309.08633	2.6
311.10284	3.7
315.11154	3.4
319.18079	2.4
325.08255	3.1
329.23282	2.4
333.12640	2.3
339.07114	8.2
348.14706	2.4
351.22119	2.3
363.16940	10.9
378.11951	2.9
388.16696	2.3
402.10922	2.1
407.16141	14.1
413.17648	2.0
417.13489	3.8
432.15588	40.0
450.16556	12.4
451.15326	4.0
464.18170	4.7
476.14557	26.0
494.15732	46.4
508.17236	45.3
512.96368	2.5
526.18188	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	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.09157	0.4
61.98827	12.8
65.00327	0.7
71.01393	1.4
73.02940	0.6
74.20741	0.5
83.01396	0.7
85.02949	1.0
98.86120	0.6
107.01383	3.6
108.02187	2.1
109.02937	1.0
115.53478	0.6
119.13989	0.6
121.02935	2.5
135.00909	0.9
149.02522	0.6
151.00352	12.2
161.04562	0.7
163.00349	3.8
164.01105	0.7
178.99808	5.3
183.44109	0.6
187.03845	0.8
191.05597	2.9
209.11777	0.7
211.03993	1.3
226.02678	0.7
227.03491	3.7
243.02956	10.3
245.04538	0.8
254.02206	2.6
255.02974	30.6
268.22217	0.7
271.02481	62.1
272.03046	1.3
273.04083	0.9
283.02350	0.9
300.02759	100.0
301.00122	1.2
301.03537	37.7
302.03943	1.0
334.03284	0.6
439.13577	0.7
463.08844	82.7
464.08972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48124	3.7
59.01376	100.0
61.98820	15.9
71.01371	18.5
73.02938	17.0
77.92588	3.5
82.22876	3.6
83.01353	3.9
85.02956	7.8
90.62406	3.5
99.62217	3.7
101.02416	20.4
173.26248	4.5
191.05560	20.5
301.94815	4.5
317.63879	4.6
333.22614	6.8
366.63208	4.3
465.27316	19.9
528.06549	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	525.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19714	1.2
53.57380	1.2
55.01879	3.3
57.03436	3.1
59.01372	57.5
64.73808	1.3
71.01369	46.2
72.99300	6.6
73.02925	19.9
74.99088	3.0
83.01371	13.3
85.02934	26.9
87.00881	3.6
87.26662	1.5
88.98789	3.3
89.02422	25.4
93.03437	6.6
95.01365	1.9
96.96037	3.1
99.00871	9.6
101.02430	46.4
108.02164	2.4
109.02956	9.0
110.39864	1.4
111.00838	3.0
113.02438	16.9
116.92822	6.6
119.03517	1.4
119.05026	1.8
125.02414	6.0
125.46116	1.8
131.03445	6.2
135.04509	21.3
136.99129	1.7
143.03519	2.0
149.04539	7.3
153.01990	1.7
159.02965	3.8
161.02493	1.5
161.04565	11.2
164.55928	1.4
191.05585	32.3
283.02383	2.0
286.04160	2.5
303.21747	8.6
333.19171	47.6
353.08670	1.9
394.00668	1.5
430.80530	1.8
465.23331	100.0
525.40240	1.5
553.13654	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	525.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56135	0.3
54.81535	0.4
55.52536	0.3
59.01374	36.5
62.83304	0.3
64.33359	0.4
71.01372	3.4
73.02924	0.9
78.28072	0.4
85.02954	1.7
87.00880	0.7
89.02443	2.3
92.10078	0.4
93.03435	1.7
101.02431	2.3
108.02187	3.5
113.02459	0.9
116.92860	0.8
119.05031	2.8
121.02923	1.7
123.04517	5.2
124.01650	1.6
124.43719	0.4
125.02422	1.7
134.03712	0.9
135.04497	15.3
136.05284	11.8
136.94337	0.5
137.02409	0.7
139.52011	0.4
150.03217	0.8
150.14706	0.4
151.03978	3.8
151.07610	5.5
160.01559	0.9
161.04530	1.7
166.98038	0.7
168.00629	1.6
175.03958	0.9
179.05713	0.4
185.11801	8.5
191.05576	3.1
195.06612	100.0
196.06940	0.7
210.94621	0.4
221.06509	0.6
327.21872	1.8
329.03406	0.5
339.10788	0.5
398.75839	0.4
465.23428	1.8
525.24042	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	100.0
57.70156	1.3
59.01376	93.4
60.01736	1.4
63.15176	1.0
71.01367	8.4
85.02944	1.9
85.98506	1.2
89.02451	7.0
92.10065	2.4
101.02399	2.7
113.02436	5.8
119.03540	1.2
119.05003	4.5
121.06576	1.4
123.04459	1.9
123.08199	4.8
129.83423	1.2
133.06514	1.2
134.07320	8.7
135.04494	8.4
136.05193	2.1
142.41463	1.1
144.32217	1.2
149.09697	6.3
160.01704	1.6
173.09662	4.7
183.10201	5.6
186.10469	1.4
189.12834	46.5
191.05580	9.2
195.06584	22.0
196.06961	13.9
197.07164	7.6
199.45607	1.4
201.12842	15.5
201.25534	1.2
215.10849	4.7
227.10829	11.9
228.58774	1.3
256.03497	1.2
259.17010	59.7
285.14975	22.5
303.16006	61.8
303.19479	2.1
349.86826	1.6
525.22516	5.2
525.35596	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.83524	1.0
58.83080	1.1
59.01379	36.5
59.01672	1.4
59.47305	1.0
60.99313	1.5
64.33736	1.0
71.01376	20.3
83.01388	1.6
85.02934	10.8
87.00889	5.1
88.98786	9.4
89.02425	21.0
91.63189	1.2
92.15924	1.3
93.03452	4.9
99.00836	1.4
101.02419	14.6
107.43250	1.1
108.39819	1.2
109.02966	2.3
113.02441	7.8
119.03482	10.4
119.04907	1.2
122.03734	2.3
123.04552	2.1
125.02468	1.9
134.03716	54.2
135.04507	11.9
143.03413	1.4
146.03723	88.1
147.04510	18.3
149.06052	44.6
150.03249	4.9
155.10768	7.4
161.02441	1.3
161.04683	2.6
161.06053	27.6
164.04774	52.8
165.05548	6.9
167.03491	4.8
167.07109	46.1
173.04536	1.5
179.05605	16.7
179.07095	100.0
191.05602	29.9
193.08621	1.3
221.08266	1.6
230.54605	1.1
272.70422	1.3
297.86411	1.3
328.11716	2.3
329.12405	28.3
329.15906	1.9
345.06418	1.5
383.13284	13.5
414.46060	1.3
447.28815	1.4
477.17496	10.6
489.17712	13.6
507.18814	8.0
525.03784	1.2
525.20575	1.5
525.29016	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52895	0.2
56.25110	0.1
57.03456	0.2
57.29076	0.1
59.01375	1.0
61.98838	0.8
64.89853	0.1
71.01386	1.0
72.64835	0.2
73.02951	0.2
85.02943	0.3
87.00877	0.3
89.02435	0.4
89.10858	0.2
89.40403	0.2
93.03384	0.3
101.02428	0.4
102.65203	0.2
107.05008	0.2
108.02141	0.5
109.02940	6.8
116.92841	0.4
121.39409	0.2
123.25845	0.2
134.03737	1.8
135.04501	100.0
136.01620	0.3
136.04869	0.4
136.90382	0.2
137.02419	6.5
142.11038	0.2
153.01939	3.4
161.02426	0.3
179.03494	0.2
182.08794	0.2
191.05621	1.7
199.38461	0.2
269.51636	0.2
294.13141	0.2
303.21765	0.9
363.16827	0.3
383.74966	0.2
413.18842	0.3
461.30872	0.2
463.20401	0.2
465.23138	0.7
476.02954	0.2
481.17419	0.3
525.20325	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	525.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.1
59.24419	1.1
60.99295	12.8
63.21732	1.1
67.01882	2.2
67.51070	1.1
69.03447	1.4
70.70119	1.2
71.01380	2.7
73.02929	1.9
80.76246	1.1
81.03435	26.6
85.02959	6.2
86.63737	1.2
87.00870	3.0
87.52478	1.3
88.98785	55.0
88.99299	2.0
89.02445	1.6
93.03441	15.3
96.95980	3.0
106.04243	2.3
109.02959	7.7
111.04471	2.2
121.02910	1.8
122.03728	2.0
123.04498	100.0
125.02421	2.9
134.03728	4.8
135.04509	11.3
146.03737	5.0
149.02420	6.2
149.06085	5.4
151.03995	1.6
161.02382	1.8
165.05479	1.8
166.06288	2.9
167.03477	2.8
167.07115	16.2
168.00697	2.0
173.04515	2.3
174.04784	1.2
179.03416	2.4
179.07080	6.6
185.05914	1.2
191.05608	51.2
192.05933	2.3
203.21588	1.2
229.08693	85.9
255.06616	21.4
273.07639	32.3
288.69888	1.3
315.08701	2.3
315.12122	1.5
331.04639	1.4
352.08121	1.7
353.08719	1.4
435.12976	89.1
446.77869	1.4
525.29034	1.6
538.93927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81493	0.5
59.01384	2.9
61.37413	0.6
63.21165	0.4
67.01889	1.0
71.01378	2.5
78.95863	4.1
79.95759	0.8
81.77135	0.6
83.04991	0.7
85.02932	11.3
87.00881	2.9
89.02455	0.9
93.03429	4.9
93.08367	0.6
96.95992	70.0
96.96996	2.0
98.95612	0.6
109.02945	0.9
111.04462	0.8
113.02470	1.0
114.47916	0.6
127.03999	3.4
129.03485	1.1
133.02931	3.1
135.04514	0.6
142.03252	1.1
145.02951	3.2
146.08443	0.5
147.04543	0.9
148.01666	3.6
149.02449	0.6
155.04982	0.7
157.02930	2.1
161.02414	12.5
163.04008	0.8
171.04509	0.7
173.02411	3.9
173.04509	2.3
175.03984	1.0
177.01894	0.7
185.02336	2.0
187.04085	1.0
188.01132	9.8
189.01910	10.3
191.05597	81.6
192.05811	0.8
199.03954	1.1
201.01889	7.3
215.03514	0.9
216.00626	3.0
217.01434	7.0
227.03496	3.5
229.01357	5.5
230.01968	0.9
232.00073	3.9
245.00900	7.0
245.04561	0.7
259.02438	1.4
271.02527	0.7
273.00424	3.9
289.03534	9.4
333.02512	100.0
334.02954	1.2
525.08887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54335	1.8
92.10078	6.2
97.72261	1.7
106.41862	1.6
119.96476	1.8
126.21055	2.0
135.23837	1.7
147.90326	1.7
156.94899	2.0
172.91060	1.7
191.97430	1.7
194.85083	1.8
314.77173	1.7
326.55338	1.8
417.11877	2.1
487.34280	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	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62203	2.6
58.98923	2.7
61.98842	4.7
64.21971	2.7
75.74646	2.8
78.56441	3.9
93.28389	3.1
106.22545	2.7
106.88678	2.8
118.64100	3.0
126.96136	3.8
148.21619	3.1
167.72002	3.2
191.05542	4.8
192.64909	3.3
455.72211	3.3
485.32568	20.0
487.34320	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	523.34
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12416	1.5
134.49475	1.6
167.93205	1.5
373.58133	1.6
455.35294	100.0
523.34088	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.4
61.98825	7.4
64.33293	0.9
65.56772	1.2
67.80027	1.0
71.01375	11.2
81.03436	1.4
83.05035	1.1
85.02953	5.1
87.00857	1.2
88.98776	1.5
89.02438	5.6
93.03430	2.2
94.06621	4.9
96.95979	1.8
101.02422	2.1
106.06567	0.9
107.03764	5.2
113.02454	1.7
116.92824	4.7
119.03490	1.3
121.02824	1.0
122.06098	44.4
123.04541	1.6
124.07630	1.8
132.04536	8.5
133.02969	1.0
134.06107	8.1
135.04530	2.1
139.02840	1.1
150.05550	1.3
152.07172	63.9
158.02438	2.3
160.03990	3.8
165.12813	5.1
166.13199	1.8
176.03534	3.8
183.13890	100.0
184.14226	64.6
190.05095	10.9
191.05640	16.7
192.05916	1.8
207.13812	1.2
212.10791	1.3
215.11754	1.5
223.08740	2.2
224.09483	3.9
227.08362	1.4
227.13036	1.5
228.13210	1.6
237.10179	1.8
239.11888	12.5
241.09776	2.2
249.06667	1.1
251.12401	1.6
252.13249	1.7
253.06181	5.8
253.09747	1.4
255.11172	1.4
265.09781	1.1
267.07819	1.8
268.08609	1.8
279.07700	1.5
280.08527	4.1
283.10864	33.1
285.04129	10.9
295.10815	10.9
301.13437	1.5
301.16547	26.4
302.16925	34.4
312.11179	1.3
315.13467	3.8
327.13568	1.4
341.11353	3.7
355.13071	1.7
389.58588	1.0
406.17746	1.0
430.17538	1.3
448.18671	10.5
461.07419	1.6
464.17157	1.1
474.16840	1.6
492.17880	14.5
523.34955	4.0
524.20355	88.6
524.35498	5.8
525.20459	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	524.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33828	0.8
59.01373	12.5
61.98820	5.9
71.01374	10.0
72.99323	0.9
83.71458	1.2
85.02943	3.8
87.00864	0.9
88.98800	1.6
89.02432	2.1
89.10505	1.0
89.44152	0.9
92.98875	1.1
93.03463	2.2
94.03820	0.9
94.06616	5.7
96.96027	1.8
98.43269	0.9
101.02435	1.2
106.06622	1.5
107.03771	6.8
109.02913	1.5
116.92855	3.8
122.06097	49.3
123.04541	1.1
124.07658	2.2
132.04515	7.8
134.06079	6.7
139.02745	1.7
152.07164	69.5
158.02420	1.7
160.04037	4.5
161.04631	1.4
162.05495	1.1
165.12794	1.5
166.12997	1.3
173.04491	1.6
176.03511	1.9
183.13895	55.6
184.14229	31.3
190.05086	8.6
191.05629	20.0
192.06075	4.4
215.11861	4.1
223.08737	4.5
224.09485	2.0
227.08195	1.1
237.10370	1.2
239.11897	15.6
240.10275	3.7
241.09845	2.4
251.12323	1.8
253.06079	2.0
253.09602	1.6
255.11462	1.9
265.09811	1.5
267.07700	6.0
267.11115	1.5
268.08472	3.9
280.08557	5.1
283.10864	32.0
285.04065	9.3
295.10880	10.6
301.16595	16.7
302.16891	22.0
309.08896	1.2
313.11728	1.3
315.13449	1.7
327.13623	4.1
341.11450	4.3
420.19455	4.0
448.18970	11.9
461.07297	1.7
471.60419	1.0
492.17816	17.7
506.19446	1.8
523.35156	1.4
524.20349	100.0
524.35577	6.2
525.20648	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46908	0.7
57.03468	0.8
59.01375	100.0
61.98832	4.7
64.41582	0.7
71.01371	15.2
73.02598	1.1
73.02938	9.5
83.01371	1.5
85.02934	9.5
87.00886	1.2
89.02428	6.7
92.10793	1.7
93.03452	1.7
99.00843	1.3
101.02415	10.5
109.02941	1.3
113.02431	8.1
119.03432	1.6
124.90146	0.8
161.04535	1.7
179.05542	1.4
191.05637	9.8
192.05908	1.2
268.22037	0.9
331.21487	1.3
369.40662	1.0
419.24368	2.0
437.25494	1.4
463.25403	4.3
463.32449	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	523.319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20032	2.7
60.46541	3.1
70.65130	3.7
92.10105	5.5
104.73379	3.0
200.83325	3.2
222.98083	3.4
469.33173	7.3
487.34308	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	523.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91277	1.7
53.90916	1.8
54.97642	1.9
58.13017	1.9
60.51193	1.9
66.93378	1.7
85.05883	2.1
91.24661	2.2
92.10146	3.9
141.78979	2.0
202.41159	2.4
205.45384	2.1
229.58781	2.7
246.96918	2.4
269.10587	2.7
275.10696	2.3
423.32709	3.7
437.10434	2.5
469.32877	5.0
487.34232	100.0
513.39319	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89418	1.1
54.81703	1.2
59.53189	1.4
63.43127	1.3
68.91783	1.3
92.63764	1.4
130.72005	1.4
145.32050	1.7
164.91071	1.4
237.26537	1.4
273.39508	1.6
446.76395	1.6
449.00195	1.4
487.34271	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	523.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	10.9
61.98822	46.4
187.92603	7.2
190.21286	6.7
191.05608	29.3
205.51503	6.2
485.32748	31.2
487.34375	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62106	0.3
55.01875	4.0
57.03448	2.7
58.00595	0.6
59.01086	0.7
59.01377	21.4
62.82328	0.3
69.03456	1.3
69.30307	0.3
71.01372	39.7
71.61629	0.3
72.99290	0.7
73.02936	19.5
75.00870	0.6
83.01373	6.5
85.02941	20.2
86.00105	0.4
87.00870	1.7
88.98835	0.3
89.02432	9.5
92.10786	0.6
95.01373	3.8
97.02917	1.7
99.00864	8.6
101.02426	32.4
111.00878	0.7
113.02438	18.5
115.03982	2.2
119.03498	0.7
120.99659	0.5
125.02454	3.2
129.01900	0.7
131.03473	1.7
143.03473	2.6
159.02986	4.8
161.04536	16.3
175.62863	0.3
181.33220	0.3
182.49936	0.4
191.05492	1.2
196.73776	0.3
209.11844	0.5
233.06596	0.5
255.68871	0.3
331.17642	17.1
340.57587	0.5
370.88522	0.3
406.10666	0.4
463.21863	100.0
464.22171	2.4
491.06088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68273	0.2
55.13507	0.3
57.03444	0.6
59.01378	12.2
65.92128	0.3
69.03455	0.3
71.01374	5.0
72.99290	0.4
73.02943	0.6
75.00854	0.6
85.02959	1.9
87.00866	0.6
88.98800	0.6
89.02425	3.2
91.04001	0.5
93.03422	0.6
95.01420	0.4
101.02438	2.1
109.02966	1.5
111.08134	0.6
113.02397	2.5
119.03509	1.2
123.04503	0.4
135.04500	2.4
152.07140	0.4
165.12791	5.3
167.03505	0.5
173.04547	0.3
179.03481	0.6
179.05554	0.5
183.13875	100.0
183.92172	0.4
184.14160	1.3
191.05573	4.6
207.13805	2.2
209.11787	1.8
218.12572	0.4
219.03017	1.3
227.12860	4.5
237.14946	1.5
249.15048	0.5
251.12868	3.0
263.12799	0.4
264.60822	0.3
301.16534	38.8
325.16684	0.8
355.17654	0.7
361.09219	0.4
367.17419	1.2
442.19708	0.4
523.23889	1.1
523.34918	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	523.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81193	0.3
57.03457	0.4
58.04059	0.2
58.90503	0.3
59.01374	33.2
69.03455	0.4
69.73659	0.2
71.01376	1.4
71.46080	0.3
73.02920	0.4
83.01372	0.3
85.02949	0.5
89.02410	0.3
92.10795	1.0
92.63624	0.3
101.02444	1.7
108.02172	3.7
109.43716	0.3
111.32837	0.3
114.69082	0.3
119.04980	2.9
121.02941	1.7
123.04501	4.5
124.01618	1.5
125.02422	0.4
134.03735	1.2
135.04507	13.9
135.05542	0.5
136.05284	9.5
136.06270	0.6
137.02382	0.3
139.11293	1.5
150.03174	0.6
151.03990	3.2
151.07616	5.4
161.04565	0.3
173.98233	0.3
177.05496	0.3
180.04173	0.4
183.10248	3.4
191.05568	0.6
195.06612	100.0
196.07043	0.6
287.22433	0.3
317.43625	0.3
339.10767	1.8
401.78049	0.3
449.27942	0.3
522.33673	1.6
523.21954	3.3
523.34387	2.8
538.36121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97730	0.3
55.01891	0.5
57.03448	0.4
59.01374	18.1
59.01671	0.6
71.01369	12.2
71.28268	0.3
72.99302	0.4
73.02935	2.7
83.01376	0.7
85.02941	5.9
87.00890	0.6
88.98799	1.7
89.02431	7.8
91.03989	0.5
93.03457	0.6
95.01376	1.7
97.02959	0.5
99.00875	1.5
101.02425	7.1
111.08134	0.6
113.02441	5.5
119.03498	1.8
131.03452	0.9
135.04514	0.5
149.04550	1.5
155.61209	0.4
161.04547	1.6
164.73637	0.4
165.12808	4.3
169.12340	0.4
179.05611	0.5
183.13882	100.0
184.14192	0.6
191.05656	3.6
207.13853	1.4
209.11900	2.0
227.12799	4.0
237.14886	0.8
249.14999	0.5
251.12831	4.3
263.13022	0.6
301.16559	41.0
325.16544	1.7
331.17667	2.0
355.17651	0.8
361.29071	0.5
367.17731	0.9
395.93552	0.4
463.21616	6.5
477.23480	2.2
523.34845	3.7
526.82037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65931	0.3
53.27863	0.3
55.01875	4.1
57.03444	3.8
58.00576	0.5
59.01375	29.8
62.00451	0.3
69.03443	0.9
71.01370	47.9
72.99290	0.6
73.02935	20.4
75.00861	0.9
81.03450	0.4
83.01373	7.0
85.02938	28.2
86.44572	0.4
87.00853	2.1
88.98798	0.7
89.02428	12.0
89.02960	0.6
95.01347	3.7
97.02915	2.6
97.23289	0.4
99.00860	7.3
101.02426	40.5
105.78543	0.4
108.48155	0.4
109.78503	0.4
111.00867	0.8
113.02436	21.7
114.83646	0.4
115.04020	0.7
119.03468	0.7
125.02392	1.9
129.01904	1.8
131.03453	2.7
143.03458	2.8
149.04521	2.7
159.02971	3.7
161.04541	22.0
161.05894	0.8
173.04510	0.4
191.05608	2.0
205.03569	0.4
224.35716	0.4
233.06570	0.7
331.17627	36.3
463.21866	100.0
464.21976	1.6
541.98645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54612	1.2
57.03451	6.6
58.81961	1.0
59.01373	18.1
60.59917	0.9
62.46254	1.1
71.01371	100.0
72.99297	37.0
76.55971	1.2
78.95900	13.4
85.02937	2.0
87.00861	42.8
89.02456	2.7
90.78119	1.1
93.03451	1.7
96.95992	53.6
96.96974	5.1
98.95584	16.5
98.96457	1.8
101.02436	1.4
115.00347	23.7
116.92831	1.5
129.01942	11.7
133.01407	1.8
135.04544	2.5
136.11737	1.2
139.03966	2.0
143.20287	1.2
147.02986	80.8
147.06665	1.4
161.02499	2.3
179.05579	2.4
191.05553	8.6
301.09467	1.3
351.74606	1.3
527.17938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.1
57.03442	0.2
59.01375	35.9
67.01903	0.2
69.03451	0.3
71.01369	3.1
72.00709	0.2
73.02937	0.9
83.01401	0.6
85.02950	1.6
87.00859	0.2
87.04531	0.2
87.19866	0.1
87.57239	0.1
89.02437	0.9
92.10188	0.3
93.03440	0.5
95.01385	0.2
101.02422	1.7
108.02159	3.3
109.02943	0.3
113.02434	1.1
116.92803	0.2
119.03540	0.2
119.05009	3.5
121.02914	1.6
122.03706	0.3
123.04507	5.0
124.01641	1.8
125.02447	0.9
134.03705	1.0
135.04506	16.8
136.05284	10.8
137.02403	0.9
139.11272	1.2
149.06104	0.2
150.03198	1.3
151.04004	4.6
151.07635	6.0
151.08810	0.2
160.01616	0.1
161.04585	0.5
162.03075	0.1
175.04025	0.2
177.05569	0.3
180.04280	0.3
183.10242	4.0
191.05623	1.6
192.05919	0.2
195.06616	100.0
196.07008	0.8
201.19324	0.1
210.31393	0.1
273.20892	0.2
282.32095	0.1
339.10919	1.5
357.12033	0.6
360.28815	0.2
361.29425	0.8
468.87161	0.2
477.23325	0.2
496.19681	0.1
522.33966	0.8
523.22223	3.7
523.34631	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56694	0.2
50.98201	0.3
57.03440	0.3
59.01374	32.4
61.98822	100.0
71.01373	2.9
72.05505	0.3
72.05885	0.3
73.02923	0.5
85.02939	1.6
88.98801	0.7
89.02422	0.4
92.10894	0.9
101.02428	2.3
113.02460	0.7
119.97553	0.3
135.04437	0.4
144.55751	0.3
149.51227	0.3
153.79054	0.3
161.04474	0.5
166.28712	0.3
183.97052	0.3
191.05583	2.0
245.28722	0.4
353.60440	0.3
373.22165	2.4
415.23169	2.3
430.55554	0.4
437.42322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81305	0.6
59.01367	1.0
71.01353	0.8
78.95891	100.0
85.02935	0.7
87.00849	0.7
87.14114	0.5
89.96011	0.4
93.03435	1.2
96.46236	0.5
96.95989	12.3
96.96957	0.6
129.77325	0.5
141.43791	0.5
166.97487	20.5
178.50404	0.5
191.05559	10.2
192.05969	0.9
229.01305	1.8
252.52550	0.6
352.07947	0.9
386.69638	0.6
438.52948	0.5
477.49460	0.6
519.60107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81929	0.9
57.03441	0.9
59.01375	100.0
62.58772	0.8
65.40906	0.8
84.80231	1.0
93.03449	1.5
110.90550	0.9
118.30977	0.9
142.31010	1.1
191.05592	7.0
272.50507	1.0
473.32785	3.7
501.63309	1.2
521.34497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.3
61.24390	7.1
61.98830	18.0
63.29200	7.7
65.52659	7.9
69.54610	7.7
90.31334	8.2
93.03447	8.7
98.70703	9.6
106.38853	8.7
115.95209	7.7
152.69466	9.3
154.08945	8.3
160.24448	9.0
191.05663	100.0
205.41811	9.7
217.26378	8.6
245.09334	9.3
293.21521	16.1
358.60178	9.6
441.33319	15.6
485.32504	13.5
521.34741	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.9
59.01373	7.5
60.57673	0.7
60.99285	0.9
61.27442	0.8
61.98832	1.8
67.01889	1.0
68.14592	0.8
71.01369	5.6
71.05009	3.6
81.03447	0.9
83.05028	3.3
85.02940	19.2
87.00853	5.3
88.46617	0.7
89.02430	0.9
92.63590	0.7
93.03436	12.4
95.01372	0.8
97.79596	0.8
99.04474	0.7
101.02425	1.5
109.02940	0.8
111.04512	4.3
113.02454	1.1
127.04006	3.4
129.82744	0.7
137.02371	0.9
158.03583	0.9
158.51097	0.8
159.04431	0.9
163.11259	1.1
172.05266	6.3
173.04543	3.0
173.05978	1.1
191.05598	100.0
192.05989	6.8
199.03978	6.7
200.04628	4.1
201.05441	0.8
202.06119	1.0
204.04253	0.8
209.11839	14.9
210.12234	1.0
227.03477	19.8
228.04204	6.1
229.04932	0.8
272.09760	1.4
272.60327	1.0
281.10309	3.2
281.15103	0.7
281.60602	1.0
283.08505	0.9
283.13382	25.6
284.13757	3.8
301.14417	3.9
309.15039	4.2
311.12860	6.9
325.14432	1.4
326.14694	1.0
327.15826	2.6
329.14059	1.2
353.13919	8.3
354.14413	1.2
367.10132	0.9
371.15079	3.2
394.31839	0.8
399.14832	6.5
399.65552	1.1
411.23975	0.9
422.31454	1.0
428.32675	2.9
458.33670	1.6
459.34732	13.8
460.35144	21.7
473.41885	0.8
491.33920	0.9
492.34155	5.3
495.20422	3.1
495.70920	2.8
504.21146	32.7
504.71347	18.9
521.34863	2.8
522.35132	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.7
56.56168	0.8
57.03435	5.8
59.01373	45.1
60.99310	1.8
67.24318	0.7
69.03457	3.2
71.01369	29.2
71.05030	1.0
73.02931	12.2
75.00855	23.9
75.11131	0.8
78.93572	0.7
83.01371	7.0
83.05007	1.0
85.02939	18.3
87.00861	5.4
88.98790	7.9
89.02420	8.2
93.03452	3.6
93.07121	0.8
95.01383	1.9
96.96042	1.2
97.02936	1.9
97.06535	2.9
99.00873	4.9
101.02425	26.3
101.03043	1.5
103.00341	12.8
103.00925	1.0
109.02930	1.4
111.00877	4.9
111.04455	0.8
111.08124	1.6
113.02431	11.9
119.03494	1.6
119.14874	0.9
121.02950	1.4
123.04494	16.8
123.08128	5.4
124.04898	0.9
125.02459	1.1
134.03720	18.9
135.04506	1.3
137.02428	5.7
139.03963	1.0
139.11259	1.1
141.09212	1.0
147.76154	0.9
149.06094	6.2
153.05571	16.4
159.02930	1.7
161.04578	3.1
163.03957	0.9
165.12807	7.1
167.10733	1.1
169.12415	1.1
171.13907	1.2
173.04512	4.5
177.01935	1.9
178.02666	12.4
183.13879	17.7
185.11794	2.0
187.13394	1.7
191.05573	16.1
193.05032	25.2
197.15439	0.8
199.13400	1.5
209.11893	1.1
227.12909	10.0
229.17984	1.3
237.06160	15.5
285.00223	1.4
286.01050	1.4
300.02417	1.3
301.03580	1.2
318.41132	1.0
328.02399	1.0
329.03314	2.0
329.16122	1.2
337.09360	1.4
343.04565	4.9
357.26010	1.1
358.07031	1.3
359.07755	4.7
359.28033	14.8
362.19370	1.1
389.18121	1.0
391.23413	1.9
419.18915	0.9
459.34927	3.9
460.21161	0.8
489.19809	5.8
521.13483	1.7
521.22369	14.5
521.33331	100.0
522.33386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3484
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
57.03433	1.0
58.63353	0.8
59.01375	17.5
60.99302	5.0
61.98820	1.8
65.08668	0.9
65.67081	0.7
69.13560	0.9
69.84679	0.7
71.01369	7.0
71.05003	8.3
72.74666	0.7
73.02941	4.7
76.28225	0.8
83.01391	1.2
83.05010	1.5
85.02943	8.4
85.06587	1.9
87.00858	1.8
89.02458	1.1
93.03452	5.6
97.22693	0.7
101.02409	3.4
109.02880	1.1
111.04501	1.4
113.02433	1.3
124.81371	0.8
127.04028	1.5
135.04515	1.8
146.37378	0.9
148.98500	0.9
173.04503	1.2
177.18349	0.9
191.05606	41.6
192.06020	2.9
199.03899	1.3
200.04700	1.2
209.11813	3.5
211.13269	0.9
227.03462	3.4
228.04192	1.0
281.10132	1.7
283.13428	4.1
353.14017	1.3
371.14963	0.9
393.31705	4.9
397.30991	1.6
411.32626	5.1
419.29431	1.6
421.30972	4.4
425.30731	1.7
427.32098	9.6
429.33505	3.2
439.32327	10.1
443.31650	1.6
457.33179	12.3
459.34796	100.0
460.35074	1.6
461.23767	2.0
473.32648	3.4
491.33771	18.6
503.34082	0.9
504.21201	7.0
521.34863	35.8
524.75543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38742	0.5
55.01881	4.3
57.03455	5.0
58.00580	0.9
59.01383	54.0
60.01710	0.8
61.98833	0.8
62.31951	0.6
69.03470	0.6
71.01379	33.9
73.02938	8.5
75.00871	1.1
76.56244	0.6
81.02396	0.6
83.01391	6.4
85.02943	16.8
85.06590	1.0
87.00855	1.4
89.02439	17.3
93.03435	0.9
95.01382	2.9
96.95995	1.3
97.02919	1.0
97.06575	0.9
99.00873	1.0
101.02427	20.3
111.00871	2.6
113.02445	10.5
119.03487	5.2
123.08154	1.4
125.02444	1.5
129.01923	0.9
137.02388	1.1
161.04497	1.1
165.12791	1.1
166.72255	0.8
171.13841	1.6
183.13887	1.3
187.13347	1.3
191.05591	17.3
200.14259	0.9
231.50528	0.7
283.13379	1.2
359.28061	14.5
362.19604	0.8
390.64035	0.7
460.30618	0.7
521.33301	100.0
522.33447	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
57.03447	3.9
58.00581	0.8
59.01377	52.1
59.01675	1.8
61.20767	0.6
64.33288	0.9
69.03434	1.0
71.01373	32.0
72.99282	1.6
73.02934	7.2
73.03275	0.6
79.25105	0.6
80.14999	0.8
83.01377	8.7
85.02940	19.3
85.72260	0.7
87.00894	3.3
89.02428	17.2
92.10829	2.4
93.03447	1.2
95.01340	3.2
96.96004	1.3
97.06606	1.0
99.00870	3.2
101.02435	21.6
109.02937	1.0
111.00890	3.3
113.02441	13.0
119.03455	1.9
123.08160	3.2
127.03989	0.7
135.04587	0.9
139.43538	0.8
148.46919	0.8
153.01923	0.8
161.04555	1.0
171.13857	1.7
173.04478	1.0
183.13808	1.7
185.11801	0.8
187.13358	1.2
191.05608	16.8
192.06061	0.8
283.13312	1.0
359.27960	15.5
362.19351	1.2
390.72162	0.9
446.61664	0.9
476.69641	1.0
479.22910	0.9
521.33289	100.0
522.33917	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	521.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64925	6.0
56.10452	6.7
59.01380	100.0
61.98829	48.5
66.93837	6.9
85.41024	6.6
97.54322	7.1
99.31731	6.6
141.09447	7.5
173.04381	10.2
191.05609	50.7
484.39871	8.9
485.32785	11.2
521.30017	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	521.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01738	2.8
60.65640	3.0
61.98830	10.9
66.32723	2.6
71.05019	13.3
75.30564	2.4
85.02954	3.7
92.10160	7.1
92.64019	2.8
93.03455	4.4
191.05609	24.7
205.15930	4.7
267.77545	3.2
400.37766	3.5
423.32632	30.0
437.30875	4.2
439.32013	16.6
441.33694	65.6
455.31711	16.0
473.32678	99.8
485.32764	35.4
521.34515	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	521.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64613	0.8
58.66823	0.7
59.01383	3.5
59.26211	0.8
61.98832	4.6
65.62549	0.7
65.62883	0.7
74.44328	0.8
78.95919	4.3
85.02940	1.9
92.10167	1.8
93.03424	1.0
95.29780	0.7
96.86504	0.8
128.55669	0.9
152.99562	4.6
158.41376	0.8
163.93564	0.9
179.37981	0.9
191.05576	16.1
306.53760	0.9
366.55017	1.0
413.34341	0.9
423.28323	7.0
439.32187	12.8
441.33740	3.7
483.31195	1.2
485.32721	100.0
527.77594	1.0
531.83813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46178	3.2
59.01381	100.0
60.51698	3.7
60.99317	5.3
61.98833	9.5
62.57648	3.5
71.05026	21.5
85.31037	3.9
91.88140	3.6
93.03453	5.4
97.22610	3.7
110.60935	4.1
135.04460	5.1
191.03966	3.7
191.05542	29.1
263.27481	3.9
321.22318	4.8
330.15747	4.6
355.26550	7.3
391.55066	3.9
439.32153	22.5
441.33960	38.5
455.31552	24.4
470.40399	6.1
473.32730	93.8
485.32547	6.8
491.33746	17.4
503.08707	4.7
517.31744	18.7
521.34021	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	521.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03448	1.0
65.85490	1.1
71.05010	1.6
89.27890	1.2
106.90977	1.3
111.65337	1.3
331.05994	1.4
382.59390	1.4
423.33252	1.6
425.30652	2.0
467.31653	18.2
485.32724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27556	0.5
50.55803	0.5
55.01884	2.7
57.03447	3.4
58.00601	1.6
59.01377	100.0
60.01711	1.2
61.98830	4.2
69.03455	5.2
69.03779	0.6
71.01372	65.8
71.04996	0.6
72.99314	4.1
73.02935	13.7
75.00893	0.7
81.03468	3.5
83.01392	6.5
83.05035	1.0
85.02943	20.7
85.03419	1.1
86.03295	0.9
87.00872	3.8
89.02431	65.5
92.10161	2.8
93.03442	5.4
95.01380	1.1
96.96059	0.6
97.02949	6.1
99.00882	2.7
99.04521	3.2
101.02428	21.3
109.02949	1.6
113.02439	10.4
114.56081	0.6
119.03475	2.7
119.21287	0.6
125.02430	21.2
127.03967	0.9
131.03482	16.0
137.02469	0.7
143.03490	3.9
149.04549	22.0
151.50671	0.6
161.04558	2.6
163.06075	1.0
167.10762	77.9
171.49544	0.7
191.05600	31.6
192.05989	4.2
193.06186	0.7
209.11865	0.9
227.03566	0.7
233.06635	3.2
265.98059	0.7
283.13458	1.3
293.08786	41.6
294.09042	0.9
297.61624	0.8
359.27936	2.7
415.66937	0.8
430.32516	0.8
441.24673	0.9
459.34650	2.6
461.20059	1.1
520.32996	2.9
520.72351	2.9
521.33698	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	521.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81407	0.7
55.01883	1.0
57.03445	1.5
58.00606	1.9
59.01379	100.0
59.58791	0.6
60.01726	0.7
60.99313	1.5
61.98835	1.7
67.01920	1.0
69.03463	1.3
70.08263	0.8
71.01380	42.0
71.05012	3.7
72.99306	1.2
73.02934	6.9
74.87638	0.8
78.15486	0.7
80.78925	0.7
83.01414	4.1
83.05032	1.5
85.02953	22.2
86.03287	1.0
87.00894	4.8
89.02439	53.0
93.03464	6.4
94.97221	0.7
95.01393	1.5
99.00893	1.5
101.02444	24.9
109.95868	0.8
111.04476	1.1
113.02441	13.8
118.16438	0.8
119.03482	10.4
119.39822	0.9
122.03759	1.0
127.04033	3.1
131.03500	7.8
133.02838	1.1
137.02419	1.3
143.03516	1.4
149.04562	13.8
160.01633	1.1
161.02129	0.9
161.04507	1.7
173.04555	1.8
179.05606	8.2
191.05603	53.2
192.05937	8.4
193.64218	0.8
200.04654	1.0
209.11855	3.7
257.15430	1.4
283.13239	1.1
299.16498	1.5
325.14438	1.4
329.19662	7.5
398.31482	1.9
399.31973	2.0
409.30890	1.2
410.31360	3.1
411.32068	5.9
428.32361	1.6
429.32974	6.2
457.33099	1.0
458.33725	4.7
459.34036	10.7
461.23917	26.8
490.32272	1.3
491.33099	4.2
504.71417	10.1
505.21640	4.0
521.34857	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27556	0.5
50.55803	0.5
55.01884	2.7
57.03447	3.4
58.00601	1.6
59.01377	100.0
60.01711	1.2
61.98830	4.2
69.03455	5.2
69.03779	0.6
71.01372	65.8
71.04996	0.6
72.99314	4.1
73.02935	13.7
75.00893	0.7
81.03468	3.5
83.01392	6.5
83.05035	1.0
85.02943	20.7
85.03419	1.1
86.03295	0.9
87.00872	3.8
89.02431	65.5
92.10161	2.8
93.03442	5.4
95.01380	1.1
96.96059	0.6
97.02949	6.1
99.00882	2.7
99.04521	3.2
101.02428	21.3
109.02949	1.6
113.02439	10.4
114.56081	0.6
119.03475	2.7
119.21287	0.6
125.02430	21.2
127.03967	0.9
131.03482	16.0
137.02469	0.7
143.03490	3.9
149.04549	22.0
151.50671	0.6
161.04558	2.6
163.06075	1.0
167.10762	77.9
171.49544	0.7
191.05600	31.6
192.05989	4.2
193.06186	0.7
209.11865	0.9
227.03566	0.7
233.06635	3.2
265.98059	0.7
283.13458	1.3
293.08786	41.6
294.09042	0.9
297.61624	0.8
359.27936	2.7
415.66937	0.8
430.32516	0.8
441.24673	0.9
459.34650	2.6
461.20059	1.1
520.32996	2.9
520.72351	2.9
521.33698	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	521.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01370	12.7
60.99300	19.0
60.99599	0.8
61.17191	0.5
61.98825	6.7
61.99054	0.4
63.13494	0.5
71.01373	6.0
72.99255	0.5
73.02954	2.5
75.00845	0.6
85.02957	3.3
87.00894	1.0
88.98788	100.0
89.02421	4.4
93.03449	3.0
94.95124	0.5
96.96020	1.0
101.02443	3.2
106.19620	0.5
109.02922	1.1
111.04509	0.5
113.02436	3.3
114.98660	0.6
134.03717	0.5
135.04536	0.9
141.29706	0.6
146.31628	0.6
149.45541	0.6
153.01968	1.0
161.04552	0.8
167.10703	1.3
173.04588	0.6
179.03601	0.5
183.13853	1.2
191.05635	9.8
192.05804	0.8
227.12851	2.1
231.87613	0.7
233.60107	0.5
299.18466	0.7
359.28015	0.7
443.31390	0.7
459.93076	0.6
473.56781	0.6
521.34515	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03459	4.0
59.01374	33.6
61.30970	0.9
69.03461	1.3
70.11645	0.8
71.01377	21.9
71.05006	0.9
72.99291	1.7
73.02937	9.0
75.00867	64.0
77.10059	0.8
80.25600	0.9
83.01405	4.0
85.02945	11.1
87.00887	5.4
87.04563	0.9
88.98820	1.3
89.02440	9.1
93.03451	1.1
95.01412	1.1
96.96008	1.4
97.02955	5.2
97.06592	1.9
99.00851	1.3
101.02424	20.6
103.00375	6.7
109.02961	1.2
111.00853	1.2
111.08162	1.4
113.02434	9.6
117.01944	1.4
119.03496	2.0
121.02943	1.4
123.04542	6.8
123.08161	1.9
129.02007	1.4
133.02917	1.6
134.03720	70.4
137.02415	11.1
139.04012	1.9
141.09174	1.0
149.06056	23.6
153.05591	8.2
164.73796	0.9
165.12857	8.5
168.23897	1.0
173.04532	4.6
178.02692	47.9
183.13876	21.6
185.11792	2.2
191.05544	8.6
193.05034	100.0
195.98764	1.0
196.01201	0.9
199.13412	1.7
207.13892	1.3
209.11725	1.6
227.12885	9.6
237.06146	41.6
251.12877	1.5
253.43210	1.0
257.01010	0.9
306.28458	1.1
329.15872	1.2
337.09335	1.4
339.66571	1.0
343.04736	1.2
358.06808	1.0
359.07635	1.2
359.27899	4.3
389.18192	1.3
429.17444	1.2
489.19687	5.5
521.22272	35.4
521.33313	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	521.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03436	1.8
59.01374	78.6
61.98840	4.5
69.08348	1.0
71.01366	17.5
72.99320	1.1
73.02931	8.9
83.01385	2.8
85.02939	13.7
87.00867	5.6
89.02444	6.5
93.03445	11.4
97.02889	1.3
99.00880	1.3
101.02419	13.3
111.04520	1.3
111.08195	1.2
113.02418	7.9
127.03979	1.1
130.08710	19.5
131.09052	2.4
133.02954	1.2
135.04538	4.0
142.43056	1.3
149.04492	1.3
154.01485	10.7
155.01796	6.9
161.04611	1.6
173.04547	2.7
179.03418	1.2
191.05615	57.6
192.05917	2.7
207.10271	2.1
209.11844	5.6
214.51563	1.2
227.03493	4.9
283.13495	2.1
299.09134	10.0
322.20309	5.8
323.20670	7.7
337.69061	1.3
353.13867	2.2
422.62213	1.1
428.32675	2.4
429.32645	2.0
441.33975	1.2
459.34229	1.2
461.24170	5.6
461.30475	1.5
474.31708	1.3
485.24146	1.3
505.71701	1.6
521.21606	7.3
521.34418	100.0
534.02582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81638	2.0
57.03455	3.6
59.01376	100.0
60.51866	1.5
60.99297	1.6
61.98827	5.8
68.43063	1.4
71.01376	22.0
73.02945	9.3
73.75471	1.4
77.14069	1.4
79.08421	1.7
83.01366	3.0
83.05013	1.9
85.02927	17.4
87.00850	3.7
89.02435	10.4
93.03452	10.2
95.01338	2.4
95.05537	1.9
96.96011	2.3
101.02420	20.7
113.02412	6.4
128.10739	2.8
130.08720	33.4
131.09029	10.4
133.02936	2.4
135.04449	3.3
135.93159	1.4
159.04417	1.6
161.04532	4.0
163.11363	1.8
165.01903	3.3
168.10687	1.7
173.04527	1.9
191.03758	2.2
191.05588	63.9
192.05943	7.4
199.04008	3.5
201.27377	1.8
209.11804	7.8
211.13237	1.8
215.10805	1.6
227.03387	2.0
283.13416	2.5
299.09274	27.7
302.40204	1.8
309.14932	1.7
322.20129	4.0
323.20563	10.4
441.33566	2.5
461.14932	1.9
461.23886	6.4
485.23755	3.4
496.02026	2.0
521.22186	11.3
521.33911	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03444	1.1
58.05202	0.5
59.01375	100.0
66.08941	0.6
69.08570	0.6
71.01370	26.2
71.01749	1.1
72.99316	0.7
73.02943	7.8
83.01385	3.7
85.02934	11.0
87.04521	1.0
89.02429	11.9
92.10809	1.3
95.01344	0.7
99.00877	2.8
101.02426	19.4
101.03041	1.0
101.06042	1.1
113.02445	9.7
119.03488	3.7
161.04518	4.5
179.05479	0.6
181.94644	0.7
191.05655	3.3
205.75003	0.6
231.76700	0.7
381.22791	8.4
399.23880	28.7
441.24942	13.9
475.33282	0.8
487.32678	0.8
520.33813	6.9
521.33911	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03438	0.9
58.00600	0.9
59.01373	100.0
59.16759	0.5
68.13183	0.5
69.03447	0.6
71.01371	31.1
71.05016	0.6
73.02930	44.7
83.01369	11.3
83.01765	0.6
85.02944	6.2
87.00869	1.2
89.02436	8.7
93.03421	0.7
95.01369	1.1
97.02956	0.7
99.00845	0.8
101.02427	35.0
105.83907	0.5
113.02441	11.2
115.66611	0.5
119.03484	3.3
125.02424	1.1
131.03476	3.4
140.27478	0.6
143.03436	2.7
149.04549	4.6
161.04523	10.7
175.05421	0.5
191.05615	4.4
203.05515	0.8
221.06627	4.0
381.22430	0.7
399.23859	3.6
440.32361	2.0
441.24982	2.9
441.32904	2.3
469.32394	0.7
486.33179	3.0
487.33206	5.1
502.32672	0.7
503.32196	0.9
520.33899	1.0
521.33612	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03154	0.2
51.70248	0.2
55.01886	0.3
57.03434	0.4
58.00596	0.2
59.01376	6.3
66.94762	0.2
67.11794	0.2
69.03452	0.2
71.01371	4.9
72.99245	0.2
73.02934	1.4
75.00858	8.8
83.01392	1.0
85.02928	2.3
87.00886	0.5
88.98799	0.8
89.02441	1.6
93.03458	1.3
95.01353	0.3
96.96008	0.4
96.96984	0.3
99.00847	0.3
101.02424	2.6
103.00375	0.3
106.04240	0.4
109.02914	0.3
111.00860	0.5
113.02431	1.8
119.03475	0.3
121.02927	1.8
123.04497	1.0
124.01679	0.4
125.02388	0.3
133.02950	1.8
134.03722	75.6
137.02428	10.4
139.04013	4.3
149.02400	0.4
149.06064	22.8
150.03204	1.3
153.05566	0.5
161.04526	0.2
165.12805	1.2
167.03493	0.8
178.02696	45.4
179.03195	0.3
183.13878	3.3
191.05643	2.2
193.05043	100.0
194.05403	1.3
216.55872	0.3
227.12918	1.3
237.06134	5.6
251.12990	0.2
273.07697	0.5
323.96240	0.3
329.08057	0.2
343.04660	0.3
359.28064	1.1
416.98605	0.2
429.17874	0.5
431.18921	0.3
478.23685	0.3
479.24237	0.3
482.76871	0.2
521.22394	5.0
521.33844	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	521.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63980	0.5
59.01379	18.7
61.01814	0.5
61.98822	1.2
69.95082	0.5
71.01385	1.3
71.05033	0.8
73.02941	1.4
82.95406	100.0
85.02953	3.9
87.00864	1.3
89.02429	1.0
93.03438	2.7
94.17606	0.6
101.02443	1.2
104.29930	0.5
113.02424	1.1
116.92861	1.3
191.05609	10.4
192.05940	0.8
214.37970	0.7
259.81720	0.6
330.28116	0.7
477.49094	0.7
520.33337	0.7
521.34131	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	521.2028
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
50.38327	0.7
55.01881	3.6
57.03447	1.7
58.00605	1.1
58.50850	0.7
59.01377	33.2
62.28895	0.7
65.24532	0.6
66.07998	0.7
71.01371	18.0
72.99303	1.4
73.02937	3.8
77.24107	0.7
83.01389	5.3
84.68565	0.7
85.02935	9.0
86.00093	1.0
87.00864	4.5
89.02448	8.1
92.10190	1.7
92.42058	0.8
93.03436	1.5
95.01411	1.2
97.58364	0.9
99.00858	1.3
101.02435	13.5
101.81588	0.8
104.14886	0.7
109.02921	1.5
111.00890	1.1
112.57222	0.8
113.02450	5.5
119.03481	1.2
121.02925	9.9
122.24278	1.2
123.38263	0.8
135.04485	1.9
145.02873	0.8
146.21686	0.7
147.04510	1.1
151.03964	1.8
159.04449	4.4
166.05029	1.5
167.05414	1.2
180.05582	0.8
191.05627	9.1
240.04294	1.6
253.08754	1.4
254.05994	0.9
255.06676	1.5
255.10182	0.8
265.08658	1.6
265.93353	0.9
266.05893	1.2
267.06519	1.7
268.07382	6.6
269.08163	9.6
270.08850	4.1
271.09625	0.9
280.07587	2.6
281.08136	16.6
282.08862	5.6
283.09717	10.8
293.08200	3.9
294.09030	1.4
295.09659	5.1
296.10468	3.0
299.09271	7.0
300.09995	1.9
302.07886	1.3
311.09186	3.9
312.10126	1.7
314.07886	3.1
314.11566	11.3
315.12311	6.7
325.10651	1.2
326.11554	13.4
327.12292	8.7
329.13919	13.0
341.13928	8.7
343.11920	4.1
355.11884	6.0
369.13132	1.0
385.14722	0.9
445.14804	1.3
461.14417	1.8
473.14313	6.7
476.16898	13.5
488.16815	6.7
491.19223	100.0
492.19412	4.0
503.19272	67.6
504.19687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40411	0.3
57.03455	0.3
57.59129	0.4
59.01379	2.6
64.57891	0.3
65.53946	0.4
66.94883	0.4
71.01388	2.6
81.38970	0.4
85.02958	0.7
89.02411	0.9
93.03432	0.8
101.02454	1.8
108.02155	0.8
109.02943	22.2
113.02461	0.5
123.04597	0.7
131.96498	0.4
135.04539	0.8
137.02452	0.6
147.04564	0.5
149.04561	0.4
157.56638	0.4
158.03749	0.6
159.04500	8.9
161.04576	0.6
161.21651	0.4
171.04604	0.5
173.04602	0.7
173.06056	7.3
189.05602	6.1
190.06276	0.5
191.05571	6.2
191.07141	4.2
203.07062	3.5
204.86411	0.5
213.05669	0.9
224.04750	0.7
225.05507	1.0
240.04288	3.0
241.05057	17.4
255.06557	10.8
256.07208	0.6
265.08655	0.7
267.06668	2.0
269.08212	3.1
281.08136	0.9
283.09848	1.0
298.08594	1.8
299.09244	12.2
313.07452	0.8
313.10867	14.8
315.12408	0.6
323.74475	0.4
327.12347	0.7
329.10367	5.5
343.11786	2.6
344.12656	47.2
359.15009	100.0
360.15253	0.9
461.20352	2.5
521.20349	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
64.09115	0.5
66.29084	0.4
71.01379	3.3
73.02929	0.9
77.86573	0.4
85.02937	2.4
85.51729	0.4
88.98831	0.4
89.62852	0.4
90.86659	0.5
92.10088	1.1
108.02191	0.6
109.02928	0.9
113.02426	0.7
121.02940	5.8
122.03715	2.0
136.05298	1.0
137.02448	0.6
141.86668	0.5
143.05034	0.8
145.02957	1.0
145.06702	0.5
146.03714	0.5
147.04518	3.1
149.02408	2.9
150.03229	5.4
156.62201	0.5
158.03699	3.8
159.04488	13.3
160.05278	47.1
161.06044	12.7
162.03186	0.6
163.03976	5.4
164.04768	5.2
173.06050	6.7
174.06836	0.7
175.07610	38.5
176.04689	0.6
177.05545	8.1
178.06316	14.7
191.05574	4.3
192.06216	0.6
192.07855	3.7
193.08633	2.8
225.40364	0.5
249.01891	0.5
279.68689	0.5
314.11545	0.7
329.13940	100.0
330.14279	2.7
359.14825	3.7
461.20007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62738	0.3
58.82625	0.4
59.01376	100.0
66.95040	0.3
72.45473	0.3
75.48573	0.3
116.92906	0.4
146.28070	0.3
175.28674	0.3
200.21640	0.3
204.51514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94605	0.2
59.01376	2.6
60.01730	0.2
61.62983	0.1
61.98823	100.0
71.01361	2.1
72.01734	0.2
85.02936	0.4
87.00871	0.3
89.02435	1.1
93.03435	0.7
99.00871	0.3
100.02793	0.2
101.02439	0.2
103.56566	0.2
120.84376	0.2
125.02407	0.7
134.79706	0.2
148.05232	0.8
149.05644	0.5
153.77734	0.2
159.72493	0.2
164.07996	0.2
173.04594	0.3
191.05649	0.3
197.59053	0.2
199.18423	0.2
223.16612	0.2
273.14551	0.2
293.08929	0.2
294.09192	0.3
295.09241	0.3
335.10614	0.2
516.35303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
59.01373	22.4
60.01725	2.2
61.01808	0.7
61.98829	0.5
66.15176	0.4
67.39464	0.4
71.01360	7.5
73.02946	1.0
73.99244	0.4
83.05022	0.4
83.50764	0.4
85.02927	4.3
87.00863	0.7
88.98769	0.5
89.02440	3.5
93.03441	2.9
96.96000	2.3
101.02432	3.6
101.37309	0.4
109.02966	0.7
113.02444	1.2
119.03491	0.8
120.46168	0.4
121.02941	2.4
124.98856	0.4
133.02937	2.6
134.03719	89.0
135.04454	0.5
137.01364	0.5
137.02422	15.0
139.04013	4.0
149.06058	23.7
150.03157	0.6
167.10858	0.6
173.04486	1.0
178.02687	55.9
179.03105	0.7
191.03932	0.9
191.05609	10.3
192.05824	0.5
193.05032	100.0
194.05405	0.6
207.02122	0.5
209.11668	0.6
215.94278	0.5
227.03520	0.6
256.72437	0.5
283.13330	0.9
293.08722	0.7
310.15250	0.6
359.17151	1.8
399.24582	0.5
418.25491	0.6
459.34802	3.7
503.33963	0.5
520.32623	0.5
521.20294	2.7
521.33624	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	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16313	0.2
55.01862	0.5
57.03428	0.4
59.01374	25.0
60.01704	2.0
60.99335	0.3
61.01781	1.0
61.98826	0.5
71.01368	7.3
71.05005	0.3
72.99294	0.8
73.02934	3.0
78.95894	0.3
83.01385	1.2
83.04989	0.5
85.02932	3.8
85.06561	0.3
86.03284	0.3
87.00862	1.5
88.98819	0.4
89.02428	5.5
93.03432	3.6
95.01373	0.5
96.95979	2.2
98.38523	0.3
101.02412	3.9
102.02763	0.3
103.61243	0.3
105.77810	0.3
106.04311	0.4
109.02944	0.7
111.00916	0.5
111.04498	0.6
113.02431	2.2
119.03460	0.7
121.02906	2.5
125.02444	0.3
131.03513	0.6
133.02946	2.3
134.03719	84.5
135.04457	2.0
137.02422	14.7
139.04005	5.1
149.02409	0.4
149.06064	24.7
150.03218	1.3
163.11238	0.3
167.10748	2.7
173.04530	1.5
178.02693	55.4
179.03337	1.3
179.05620	0.5
191.03812	0.3
191.05600	12.3
193.05038	100.0
194.05388	0.7
209.11832	0.4
227.03506	0.3
227.99284	0.3
228.04152	0.4
283.13400	1.2
293.08716	0.4
299.95432	0.3
309.15088	0.5
336.03326	0.3
337.09134	0.4
339.98563	0.3
353.14044	0.4
359.17194	2.0
359.28024	1.2
365.55170	0.3
400.24423	0.4
401.24493	0.6
418.25357	1.4
419.25650	1.5
427.32129	0.4
459.34796	6.6
461.26666	0.8
520.33063	0.4
521.20465	2.7
521.33868	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10437	0.3
59.01376	100.0
61.07891	0.3
71.97008	0.3
75.87486	0.3
80.90858	0.4
123.65865	0.3
191.05554	1.3
212.07878	0.4
325.75363	0.3
363.38831	0.3
473.35794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89226	0.2
59.01380	100.0
61.98817	0.4
75.69511	0.2
78.95873	0.3
144.49741	0.2
191.05595	1.1
203.23180	0.2
387.27176	0.2
391.37341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10835	0.2
50.23511	0.2
55.28700	0.2
57.81281	0.2
59.01375	100.0
61.98825	1.0
65.37559	0.2
69.75955	0.2
78.67685	0.2
87.06735	0.2
113.00696	0.2
135.45824	0.2
135.81052	0.2
142.46129	0.2
167.85745	0.2
191.05669	0.4
214.91396	0.2
230.26439	0.2
473.35452	1.0
475.34308	1.4
519.27118	0.2
519.33307	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37990	0.4
57.92931	0.5
59.01376	100.0
61.98820	2.3
71.05006	0.8
79.97240	0.5
92.10849	0.9
110.27425	0.6
191.05606	3.1
356.18430	0.6
425.30801	0.9
435.55225	0.6
445.67789	0.5
457.32971	0.9
519.33167	12.7
542.33618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.63470	0.9
61.98829	1.9
68.12228	0.8
71.31361	0.9
78.95897	2.5
85.02930	1.3
112.21577	1.1
114.77708	1.1
119.44708	1.2
191.05615	11.4
221.24118	1.0
227.63649	1.1
307.24124	1.1
315.19681	1.4
349.12427	1.1
428.02057	1.1
439.31351	1.2
485.31845	2.2
519.33008	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38114	0.5
59.01374	100.0
59.99087	0.5
61.98838	1.0
63.11796	0.5
69.77979	0.5
78.95877	1.0
80.21126	0.6
90.34163	0.6
92.10174	0.8
106.84662	0.6
116.57529	0.6
159.21655	0.5
181.27007	0.6
183.69438	0.6
191.05554	2.8
256.01517	0.6
457.33240	1.4
459.33932	1.3
519.33368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10422	0.4
51.19602	0.4
51.59275	0.4
55.29245	0.4
59.01376	100.0
61.10720	0.4
61.98818	0.9
75.74809	0.4
82.35687	0.4
83.05035	0.7
86.91184	0.3
87.80091	0.4
89.82281	0.3
92.09765	0.4
96.64835	0.4
161.61781	0.5
187.34988	0.5
230.25395	0.4
232.60547	0.5
391.29953	0.6
439.32449	1.5
459.34885	3.1
465.30139	4.8
473.32425	1.6
483.31180	17.9
523.17200	0.5
544.19611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44382	0.3
55.99060	0.3
57.07013	0.3
57.34251	0.3
59.01378	100.0
62.24641	0.3
75.00864	0.4
82.77309	0.3
83.46527	0.3
312.85858	0.4
473.32779	0.6
512.47925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98825	13.2
72.99306	1.6
76.17138	0.8
85.04642	0.8
112.11847	1.0
116.85249	0.7
149.86455	0.8
218.16226	0.8
218.87589	0.8
291.65582	0.8
387.29160	1.8
398.71292	0.8
441.33469	1.3
459.35037	4.2
474.70288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98813	1.9
71.06189	0.4
71.06632	0.4
78.95895	0.9
93.03450	0.5
97.95614	0.5
98.18201	0.4
104.12277	0.5
167.82869	0.5
181.36955	0.4
191.05545	2.1
257.41214	0.5
459.34811	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15849	0.5
57.03452	0.5
59.01369	4.1
59.89110	0.5
60.99295	0.9
71.01387	0.9
72.79253	0.5
73.30647	0.6
77.28925	0.6
85.02957	4.5
87.00903	0.7
87.04506	8.6
92.10856	1.2
93.03453	1.3
109.06578	3.9
123.04504	1.1
163.53748	0.5
191.05618	14.6
192.06065	0.9
205.15999	0.8
207.10185	0.7
244.05531	0.6
365.69592	0.7
389.26974	41.3
401.30649	1.3
403.30185	1.4
415.16211	0.9
419.29953	1.2
421.31281	7.7
423.28946	3.0
427.32230	8.5
429.30136	5.6
437.29953	0.9
439.32208	3.8
441.33829	0.8
445.33325	1.1
453.30045	1.2
457.33545	1.3
489.32227	72.1
490.32526	1.4
501.32291	1.0
519.33240	100.0
520.33722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3325
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
50.73891	1.1
51.32523	1.3
56.23267	1.6
57.03444	2.2
59.01377	13.9
59.01635	1.2
60.99294	18.1
71.05014	22.3
73.02956	1.8
74.29790	1.3
85.02947	1.6
85.06606	10.1
100.05316	2.1
101.06092	6.2
162.97069	1.6
169.14377	1.3
189.12840	2.7
191.05650	2.8
207.14171	1.6
237.96410	1.9
239.18152	1.6
291.17422	1.6
321.22302	2.6
339.23129	3.0
389.23221	2.8
393.28003	6.0
397.31085	19.3
409.31110	40.6
411.29108	7.6
427.32175	30.6
439.32101	7.4
441.29965	6.2
452.65393	1.9
455.31894	2.5
457.33292	100.0
471.31415	5.9
483.30609	2.0
489.32236	74.7
501.32263	21.8
519.33289	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3328
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
50.31973	2.5
54.81328	2.3
55.75671	2.4
59.01373	93.6
59.13725	2.3
61.98810	2.9
63.04330	2.4
67.03715	2.3
71.05017	13.6
90.87421	2.7
92.10812	10.1
93.08121	2.6
93.29315	2.7
93.53973	2.5
115.55423	2.9
145.30713	3.0
191.05525	3.2
222.75591	3.1
249.22144	4.0
293.21271	4.1
307.81033	3.2
329.74939	2.9
339.26636	3.3
385.26202	4.3
457.33310	32.3
470.68793	3.2
501.32101	17.0
519.33282	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	519.333
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
59.01376	11.5
67.15080	1.2
71.05015	10.2
72.99297	2.1
75.00863	2.3
86.10538	1.4
89.70008	1.7
94.21218	1.6
121.76521	1.8
243.46863	1.7
327.26654	2.0
411.32544	2.6
443.31317	1.9
457.33322	15.8
475.34119	11.2
512.44348	1.8
519.33264	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	519.3323
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
52.09452	0.5
52.69932	0.5
54.81828	0.6
59.01368	0.7
61.55328	0.5
67.12727	0.5
68.66989	0.6
71.05022	1.1
75.06030	0.5
75.61089	0.5
136.18900	0.6
156.66086	0.7
167.49948	0.6
242.80534	0.6
255.91806	0.6
324.02130	0.5
332.34833	0.7
423.00354	0.6
455.31781	0.7
473.32742	8.9
475.34409	0.9
492.57217	0.6
501.32257	1.2
519.33246	100.0
520.33258	1.1
524.78577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09628	0.2
54.81880	0.2
57.03465	0.3
59.01386	0.3
71.05025	1.6
72.99313	0.5
75.78209	0.3
83.05069	0.3
85.42448	0.3
157.78000	0.4
166.54359	0.3
175.66351	0.3
188.41495	0.4
261.54950	0.3
292.85870	0.4
333.41879	0.3
399.32782	0.5
439.32095	1.6
457.33429	0.4
473.32724	10.2
475.34329	0.7
485.32767	4.4
498.91422	0.3
501.31821	2.2
519.33228	100.0
520.33722	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72649	0.7
52.56841	0.7
57.03453	0.9
59.01379	11.5
60.99308	6.0
71.01376	3.9
71.05038	3.5
73.02946	3.5
73.03824	0.8
79.71236	0.8
85.02950	4.5
87.00869	1.1
87.04510	5.9
93.03441	2.1
109.06565	0.9
113.02398	1.0
121.52843	0.8
125.02455	1.5
149.99582	1.5
168.00645	1.8
191.05598	28.6
203.21016	0.8
204.40767	1.0
282.70755	1.1
283.13528	1.1
381.27890	1.7
389.27002	28.0
390.50607	1.0
395.29504	1.0
397.31174	6.0
401.30420	1.4
409.31082	4.2
419.29736	1.6
421.31332	1.2
425.30710	1.7
427.32169	58.8
429.30060	2.0
457.33176	3.5
489.32196	49.1
501.32532	2.0
519.15417	3.9
519.33228	100.0
520.33545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28806	0.3
55.00806	0.3
56.41995	0.3
59.01370	1.9
64.66656	0.3
66.08984	0.3
71.05020	4.5
72.99309	0.7
73.02937	0.4
79.96851	0.3
81.56258	0.3
83.05040	0.8
98.81624	0.3
122.28716	0.4
155.09000	0.3
162.37354	0.3
191.05641	1.6
395.29529	0.4
399.32675	0.7
413.30576	0.6
439.32092	0.6
443.31683	0.4
457.33438	0.7
473.32782	8.5
475.34155	1.5
501.32349	1.8
519.33258	100.0
520.33557	2.5
541.46454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21901	0.8
53.76721	0.8
55.01868	6.6
56.24277	0.8
57.03444	11.7
57.98532	0.8
59.01374	67.7
61.98822	5.2
67.01887	1.2
71.01368	44.6
71.05013	1.2
72.99294	3.8
73.02925	15.8
75.08127	0.8
79.05490	0.8
79.74788	0.9
83.01375	9.0
83.05028	1.1
85.02937	27.2
85.38416	0.8
86.00073	1.1
87.00861	4.2
89.02428	16.4
93.03417	9.2
95.01365	5.5
96.95998	10.6
96.96949	1.1
97.06538	1.6
99.00854	6.0
99.04488	1.3
101.02422	37.8
101.03034	2.0
109.02925	1.2
111.00860	2.0
111.04513	2.4
113.02428	17.9
116.92844	4.9
119.03461	5.4
123.04504	15.6
125.02464	1.4
125.09705	1.7
135.04497	2.2
137.02373	1.5
143.03423	1.2
153.05548	22.5
155.03445	1.2
159.02905	1.9
161.02431	1.3
161.04530	6.5
164.37021	1.0
173.04533	30.2
173.05879	1.4
179.05417	1.1
183.10303	1.6
191.05569	9.9
197.15356	1.2
279.23285	1.2
295.22754	1.2
297.24286	2.1
309.24005	1.7
321.24396	1.9
339.25006	1.2
357.15515	11.0
357.22165	1.7
357.26434	33.6
459.25629	1.2
477.23135	1.1
483.22559	1.3
489.30685	1.6
501.30457	2.4
519.32074	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	519.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85214	6.7
54.19195	5.6
59.01373	100.0
61.98846	27.2
77.41679	9.0
161.96851	6.8
191.05586	13.8
197.00819	7.4
199.25989	7.9
332.45944	8.3
471.30939	43.3
483.31522	12.3
519.33337	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
59.94510	6.5
61.98832	17.7
92.10244	9.7
96.31716	8.2
191.05661	34.1
194.65123	8.3
417.27554	8.5
451.43890	9.1
457.33032	15.4
483.31189	10.8
486.33075	13.0
487.33344	33.7
519.33484	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81860	0.4
55.01883	1.0
57.03464	0.9
59.01382	100.0
68.32256	0.4
68.51840	0.4
71.00521	0.4
71.01373	10.8
71.18209	0.4
72.99296	0.6
73.02946	3.1
83.01392	2.1
85.02945	5.2
87.04522	0.4
89.02435	4.9
95.01414	0.8
99.00875	0.5
101.01805	0.8
101.02419	9.2
101.06057	0.7
111.00864	0.4
113.02441	4.5
116.46079	0.5
119.03487	0.8
121.70557	0.5
134.29298	0.6
161.04500	1.8
167.16733	0.4
180.89287	0.4
183.13840	0.5
227.16591	0.8
357.26602	0.7
389.21896	2.0
391.23291	0.8
399.23904	9.0
414.91183	0.5
417.24933	9.8
422.21606	0.5
437.88669	0.5
459.25836	2.4
519.31824	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	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31342	0.4
55.01875	2.2
57.03437	2.7
58.00598	0.5
59.01374	100.0
61.98827	3.0
64.33189	0.4
68.05039	0.4
69.03456	0.4
71.01367	14.3
71.05011	2.2
73.02928	5.1
74.18737	0.4
80.91669	2.9
83.01392	4.2
85.02936	9.7
87.00845	0.9
89.02425	1.1
93.03447	1.2
95.01395	1.2
97.02914	0.6
99.00887	0.9
101.02430	9.1
109.02927	0.6
111.00874	0.7
113.02438	5.7
114.51299	0.4
116.92881	0.7
125.02464	0.7
136.63681	0.5
159.02817	0.6
161.04500	1.9
191.05598	9.6
192.06036	0.7
215.52734	0.5
271.22623	1.9
409.30908	1.1
415.21710	1.0
415.26978	22.8
427.31873	1.1
433.28052	16.5
439.32114	0.9
457.33340	6.1
474.27954	0.5
475.28644	1.0
519.33105	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	519.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99464	0.6
55.01886	0.8
58.29940	0.5
59.01377	100.0
71.01369	10.2
73.02930	5.0
76.56046	0.6
79.36708	0.5
83.01382	1.3
85.02922	4.8
88.95642	0.6
89.02429	5.1
95.01318	0.7
99.00841	0.9
101.02431	9.3
101.06154	0.7
111.00892	0.7
113.02424	5.3
114.29424	0.7
119.03518	1.1
161.04552	2.2
201.15387	0.7
213.56761	0.7
248.78125	0.6
314.29471	0.6
336.80060	0.7
379.34406	0.7
389.21759	3.3
399.23831	8.6
417.25009	9.7
459.26288	1.4
514.59698	0.6
519.31726	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	519.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10014	1.1
56.78386	1.2
58.00579	1.2
59.01374	36.3
71.01376	2.3
71.05013	7.3
72.44434	1.2
73.02934	2.2
82.36827	1.2
83.05037	6.5
85.02950	2.7
87.34158	1.2
91.15755	1.1
93.03458	1.4
107.33488	1.5
109.06570	1.3
113.02413	1.2
135.04446	1.9
189.12868	2.1
191.05589	14.8
236.46542	1.3
283.13583	2.0
312.68597	1.5
427.32422	1.3
439.32288	6.1
441.34006	7.0
455.31580	2.7
457.33371	10.4
471.30685	1.7
473.32056	6.0
475.34293	11.9
485.32614	2.6
488.31171	2.0
489.31296	2.0
501.32028	5.4
518.32025	26.4
519.32599	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	519.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10014	1.1
56.78386	1.2
58.00579	1.2
59.01374	36.3
71.01376	2.3
71.05013	7.3
72.44434	1.2
73.02934	2.2
82.36827	1.2
83.05037	6.5
85.02950	2.7
87.34158	1.2
91.15755	1.1
93.03458	1.4
107.33488	1.5
109.06570	1.3
113.02413	1.2
135.04446	1.9
189.12868	2.1
191.05589	14.8
236.46542	1.3
283.13583	2.0
312.68597	1.5
427.32422	1.3
439.32288	6.1
441.34006	7.0
455.31580	2.7
457.33371	10.4
471.30685	1.7
473.32056	6.0
475.34293	11.9
485.32614	2.6
488.31171	2.0
489.31296	2.0
501.32028	5.4
518.32025	26.4
519.32599	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	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97424	1.0
55.01880	10.3
57.03446	5.1
58.00591	1.0
59.01376	100.0
61.98837	1.2
67.33568	1.0
69.03457	1.7
71.01369	61.5
72.99297	1.6
73.02929	26.7
73.05065	1.1
79.67762	1.0
81.03461	1.1
83.01372	15.2
85.02934	37.7
85.03406	1.8
87.00865	7.3
87.04509	1.4
89.02434	13.2
95.01379	8.5
97.02958	4.3
99.00854	13.0
101.02425	44.3
111.00919	2.3
112.01569	1.0
113.02443	31.9
113.03198	1.8
116.92848	2.4
119.03494	2.5
123.47587	1.1
125.02419	6.6
131.03499	1.3
143.03506	6.9
155.03473	1.3
159.03004	2.2
161.04521	19.6
191.05679	2.5
219.83408	1.1
315.18130	10.1
334.86066	1.1
357.19308	2.5
414.91150	1.3
417.24637	1.1
434.87994	1.2
455.31702	5.4
459.22299	11.2
477.23389	58.5
519.24408	18.1
519.32959	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60847	0.5
55.01883	3.4
57.03450	2.7
59.01376	100.0
64.67810	0.7
69.36208	0.6
71.01368	34.6
71.01733	1.4
72.99300	0.7
73.02940	12.9
83.01360	7.6
85.02937	18.2
87.00871	2.6
89.02433	11.0
92.10184	1.1
95.01395	3.0
99.00842	2.5
101.02426	27.7
109.67502	0.6
111.00867	1.1
113.02450	13.2
119.03493	3.6
124.07967	0.7
125.02448	0.8
129.01967	0.8
140.48430	0.7
143.03493	1.3
149.96237	0.7
161.04562	8.8
165.12839	0.9
174.04330	0.7
184.38326	0.8
191.05725	1.1
246.74232	0.8
253.76994	0.7
255.19656	1.7
315.18286	0.9
342.65372	0.7
389.21805	2.8
399.23828	5.5
417.24930	11.0
459.26010	4.6
477.23331	15.9
483.17059	0.8
519.24347	10.4
519.31995	15.5
548.30334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	9.9
57.03449	15.8
59.01376	100.0
61.98833	5.0
64.33574	1.3
67.01879	1.6
68.10619	1.0
69.03465	2.4
71.00978	2.4
71.01371	76.6
72.42215	1.1
72.99297	4.5
73.02927	23.2
73.03313	1.2
75.00878	5.4
78.95885	2.1
78.97350	1.1
83.01347	12.8
85.02936	38.3
87.00871	7.4
89.02434	24.7
93.03439	2.9
95.01387	8.0
96.95993	18.3
97.02959	1.4
99.00858	8.6
101.02428	50.9
109.02918	1.4
111.00874	2.5
113.02441	28.2
117.97353	1.2
119.03502	5.9
119.59903	1.1
123.04504	79.1
125.02411	2.9
131.03465	1.5
135.04515	5.4
143.03500	1.9
151.03862	1.1
153.04321	2.5
153.05566	75.1
155.03397	1.3
159.03024	2.9
161.04561	19.0
176.87051	1.1
177.01909	5.1
183.13867	2.0
185.11771	1.4
189.01952	7.2
191.03912	1.2
191.05545	11.9
271.02609	1.3
274.34811	1.2
305.84680	1.4
315.18207	6.4
341.06592	6.8
357.26563	2.2
441.30426	9.0
457.33270	4.3
477.23444	45.2
483.22562	11.2
501.32394	22.2
519.24323	41.2
519.32727	59.6
526.06549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24234	0.3
54.61548	0.4
78.95901	6.8
79.95724	1.7
80.22881	0.4
85.02934	0.8
87.00881	0.7
89.02423	0.4
93.03442	2.0
96.95993	100.0
96.96866	4.4
105.01893	0.4
119.05014	0.8
122.79391	0.4
127.03961	0.5
135.04538	0.4
163.04028	0.9
165.03958	0.6
173.04604	3.0
191.05576	8.1
216.93974	0.4
261.70160	0.5
344.17410	0.4
353.08395	0.5
462.68692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85985	0.4
57.03449	0.5
59.01384	10.5
60.67575	0.3
67.01873	0.4
69.03440	0.4
71.01370	4.5
73.02955	2.0
75.11947	0.4
79.25319	0.3
81.03420	0.4
82.56574	0.4
83.05008	0.4
85.02946	11.0
85.03424	0.6
87.00871	3.4
89.02415	0.4
92.10816	0.4
93.03441	7.3
99.00865	0.5
101.02425	1.9
108.02189	0.5
109.02948	0.8
111.04508	2.0
113.02452	1.8
121.02931	6.1
122.03711	3.1
127.03991	2.2
134.03749	0.9
136.01639	84.3
137.02460	2.8
149.06050	0.5
151.03993	100.0
152.04349	0.7
154.02742	0.6
157.42973	0.4
160.05296	1.6
161.02472	0.8
161.04533	0.8
162.03230	0.7
163.03970	1.5
168.32919	0.4
173.04547	4.3
175.07573	1.5
177.05602	0.7
179.03568	0.5
179.56445	0.4
189.05536	0.5
190.80475	0.4
191.05597	75.7
197.09738	3.1
301.10815	2.1
311.12967	0.7
342.11163	5.0
345.10590	0.5
346.84186	0.4
357.13419	57.1
358.13806	0.8
404.53586	0.4
475.16190	0.4
519.15277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08812	0.8
57.03439	1.7
58.37935	0.7
59.01378	100.0
59.93361	0.8
69.03467	1.7
71.01377	17.9
71.05029	0.9
72.99313	1.0
73.02938	15.1
83.01376	6.7
85.02948	8.8
87.00890	1.6
87.04512	4.5
89.02432	13.8
92.10130	2.0
93.03442	1.9
95.01372	1.0
97.06588	1.8
101.02431	16.9
111.04523	1.0
113.02449	13.8
119.03475	4.3
123.08182	1.5
125.02453	1.1
140.77812	0.9
149.04517	1.1
149.09738	1.4
161.04556	6.4
167.10751	1.1
179.05573	2.1
183.13820	0.9
187.09737	5.8
191.05614	21.2
192.06030	0.8
216.75179	0.9
218.74680	1.0
271.19104	3.6
352.57901	1.1
415.23535	5.2
433.24304	4.8
475.25699	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	519.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81136	0.4
54.81389	0.4
59.01374	13.3
59.87525	0.4
67.01890	0.6
69.03422	0.7
71.01369	3.9
73.02944	0.9
81.94578	0.4
82.77873	0.4
83.04971	0.4
85.02937	15.2
85.03418	0.9
87.00865	5.3
88.98808	0.5
89.02453	0.9
93.03434	7.9
96.96004	0.6
98.95580	2.2
101.02431	2.1
109.02934	2.7
111.04506	2.0
119.04999	1.0
127.04000	2.9
133.02940	0.6
137.02441	0.9
151.04045	0.6
153.01878	0.6
155.03548	0.5
161.02519	0.6
163.03983	0.6
166.05058	0.6
171.03006	0.5
171.51265	0.4
173.04532	2.3
191.05598	100.0
192.05849	0.7
197.09734	3.3
237.08517	0.4
327.04968	0.8
417.08414	0.6
475.16113	0.7
519.15387	3.3
519.33087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
63.73485	0.3
67.01904	1.3
69.03481	0.4
71.01367	4.3
73.02946	0.8
78.95904	1.6
79.51879	0.3
85.02953	7.3
87.00879	2.9
89.02447	2.2
92.10061	0.3
93.03452	8.3
96.96001	7.3
101.02426	2.7
109.02957	0.6
111.04521	1.7
113.02497	0.4
119.05007	4.3
127.03973	2.4
131.98215	0.3
134.23029	0.3
145.02946	1.9
155.03548	0.5
163.02719	0.4
163.03993	2.9
173.04532	8.2
181.07176	4.8
191.05603	100.0
192.05968	0.5
298.76031	0.3
337.09280	13.8
421.99765	0.3
519.17169	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	519.1504
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
57.03457	0.3
59.01375	100.0
59.92123	0.3
60.99318	0.5
61.98833	0.6
71.01366	2.9
71.05012	1.9
73.02937	0.8
73.63178	0.3
83.01397	0.6
85.02949	2.1
89.02428	1.6
93.03487	0.5
101.02431	1.8
109.02922	1.5
113.02444	0.7
119.05003	0.4
127.03992	0.4
161.04573	0.4
165.01883	1.4
165.12753	0.6
183.13821	2.0
191.04007	0.5
191.05603	8.3
211.04102	0.4
223.13487	0.6
227.12741	0.7
239.03421	2.1
257.95471	0.4
281.04590	1.5
282.05301	3.3
297.07642	9.1
298.07809	0.4
350.63510	0.4
426.38849	0.4
457.33279	4.1
489.32132	2.3
518.32324	0.6
519.24158	1.4
519.32465	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	517.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10927	0.2
59.01374	100.0
60.38630	0.2
61.49342	0.3
61.98833	0.5
70.54489	0.3
87.00865	1.9
98.70922	0.2
152.31117	0.2
191.05518	0.5
242.22021	0.5
281.09283	0.3
378.07211	0.3
451.10077	0.3
457.33203	1.3
471.34857	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	519.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44652	0.5
54.37519	0.6
55.32685	0.6
57.49570	0.6
59.01378	0.8
59.87907	0.5
78.95894	8.2
80.30262	0.6
85.02951	1.6
87.00851	1.2
93.03428	1.1
96.95988	2.5
112.63171	0.7
121.02935	100.0
121.82525	0.7
127.03976	0.8
132.77533	0.6
154.25513	0.7
163.03870	0.8
165.01909	76.4
166.97508	0.9
181.79868	0.6
191.05588	21.6
192.05917	1.4
193.05945	0.8
266.84811	0.7
302.09384	0.9
315.85049	0.7
352.08078	0.8
353.08652	1.2
473.13718	0.6
515.27802	0.8
516.80951	0.8
535.63049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.84488	0.7
59.01374	16.4
61.98835	3.8
65.00331	1.1
69.48911	0.8
70.44107	0.7
71.01386	4.8
73.02937	1.8
77.52958	1.0
83.01352	0.8
85.02969	2.1
87.00890	1.1
88.98795	3.8
89.02454	4.5
93.03436	1.9
96.96017	5.2
98.95561	7.5
99.92583	5.8
101.02436	3.8
107.01357	1.2
109.02973	1.0
113.02460	2.1
115.92065	8.9
116.92847	37.5
117.92933	1.0
119.05017	10.5
133.02965	1.1
134.03720	1.9
135.04535	1.0
140.27043	1.0
145.02988	1.5
151.00363	10.9
153.02005	1.0
159.04553	1.1
160.01709	1.4
161.02431	1.7
163.03963	6.4
171.04599	1.2
175.03964	2.1
179.03554	1.1
183.04494	4.7
187.03979	2.2
191.05550	12.8
193.04932	1.2
199.03986	12.6
201.01974	1.4
215.03497	5.1
227.03488	12.8
239.53029	1.0
242.02234	1.5
243.02954	40.6
244.03517	1.7
255.02962	27.5
256.03610	1.2
257.04581	2.2
269.11969	1.1
270.01794	1.3
271.02481	59.3
272.03143	5.2
285.03888	8.1
287.05576	1.2
299.01974	100.0
300.02731	36.0
314.04327	62.2
315.05115	84.1
315.08847	2.2
343.10254	1.8
501.15506	1.2
519.11279	45.2
519.32690	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	517.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	76.7
63.52946	0.4
65.24698	0.4
67.49690	0.5
85.00973	0.4
85.29034	0.5
92.10153	2.3
96.72969	0.4
97.45358	0.4
191.05621	0.8
228.31241	0.5
471.34784	100.0
472.35117	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	517.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02100	0.6
57.23772	0.5
58.73072	0.6
59.01377	100.0
69.18101	0.6
70.90943	0.7
73.52469	0.6
75.03937	0.6
82.15179	0.7
83.23204	0.6
114.37736	0.7
262.59222	0.7
270.05923	0.6
407.78387	0.7
457.33246	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	517.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60756	0.5
59.01381	100.0
61.98827	0.9
78.95918	1.3
84.58451	0.6
92.10981	1.0
120.08373	0.6
141.01805	0.5
152.99576	1.1
154.41476	0.5
191.05589	4.0
308.92398	0.7
369.78894	0.7
471.35428	4.4
517.31561	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	517.3534
Annotation	Hippuristerone H
Peak:m/z	Relative Intensity
50.39054	0.8
59.01376	100.0
61.98844	1.1
63.75509	0.8
70.45682	0.8
77.65074	0.8
79.14548	0.8
85.02952	1.1
127.09649	0.9
137.06926	0.9
191.05579	4.6
211.27974	0.9
365.87604	1.0
425.30530	1.1
471.30917	2.1
517.35126	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	517.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41917	1.1
54.81524	1.3
58.00591	6.9
59.01372	16.7
61.70638	1.1
61.98837	1.3
66.45451	1.3
71.04992	1.7
97.06576	8.1
135.04489	1.3
139.64195	1.3
191.05617	8.0
308.10245	1.3
381.28055	1.5
387.30423	6.0
406.28745	28.4
407.29367	5.4
421.31097	10.7
423.32758	18.3
425.30713	1.7
437.30225	2.5
439.32159	6.6
445.79865	1.4
455.31686	10.2
467.31757	14.6
473.32825	14.0
482.58472	1.5
483.31204	1.5
485.32730	100.0
486.32935	1.7
499.29816	3.0
517.32025	25.3
517.34967	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	517.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97765	0.5
53.30150	0.5
59.01385	5.7
61.78911	0.5
71.05020	1.0
82.88885	0.5
112.57545	0.6
115.44143	0.6
121.11005	0.5
121.51788	0.6
125.09708	1.1
133.55455	0.5
135.48186	0.5
151.72131	0.6
286.00641	0.6
328.52435	0.6
361.29205	0.8
377.32245	2.2
393.31540	3.1
395.33176	13.3
397.31177	2.7
405.31641	1.3
413.34219	11.9
423.32657	7.9
439.32089	2.1
489.67941	0.7
499.34253	10.2
517.35352	100.0
518.35730	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	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
68.85043	0.2
69.34569	0.2
92.10146	0.3
191.05666	0.4
196.67062	0.3
212.52644	0.2
391.04855	0.3
437.98108	0.2
455.31473	0.3
457.33200	0.9
473.32272	0.3
485.32571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3532
Annotation	Oogoniol-3
Peak:m/z	Relative Intensity
52.49335	0.5
54.81726	0.7
59.01382	52.7
61.98833	0.9
71.05028	4.8
78.07883	0.6
78.38737	0.6
78.94039	0.6
78.96018	0.6
86.28583	0.7
128.82329	0.6
179.95491	0.8
191.05586	1.3
225.91678	0.7
257.86395	0.7
375.14963	1.1
427.32132	0.8
457.33307	3.8
487.34518	0.8
499.34293	14.6
517.35406	100.0
518.35956	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07790	0.4
55.80924	0.4
57.03450	1.2
59.01376	2.4
61.98812	0.9
64.55382	0.4
72.24455	0.5
73.02939	0.6
73.19252	0.5
80.43578	0.5
85.02941	1.1
87.04518	2.7
120.80608	0.7
136.92328	0.5
175.11282	2.1
191.05585	1.1
236.61366	0.6
361.25403	2.2
363.26883	1.1
365.28525	9.7
375.26996	2.5
377.28479	29.2
379.26221	1.9
391.26138	0.6
393.27878	0.6
395.29587	23.5
407.29456	3.8
409.27258	0.7
413.30652	3.9
425.30817	3.7
441.29944	3.0
443.31815	0.8
471.31097	2.3
485.32687	0.8
487.30841	1.3
517.31696	100.0
518.31976	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	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52499	0.4
56.13130	0.4
57.03445	3.3
58.63170	0.6
59.01373	8.4
61.98832	0.9
63.18877	0.4
63.77151	0.4
66.68649	0.4
69.89621	0.5
71.01351	0.5
71.05015	1.2
72.10832	0.4
73.02934	7.1
73.11813	0.4
74.26627	0.4
85.02963	0.7
87.00859	0.6
104.28499	0.4
110.93605	0.5
119.08629	0.7
121.57510	0.4
135.04547	0.6
153.72386	0.6
163.07796	0.5
191.05608	4.6
232.72639	0.6
281.64911	0.5
357.25693	1.1
373.29062	6.1
375.27060	1.1
391.29971	2.6
407.29477	3.2
437.30899	0.9
439.32101	6.5
455.31888	0.6
473.32532	3.3
485.32727	100.0
486.33148	2.9
517.32025	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73576	0.7
54.81417	0.6
59.01380	3.3
60.06212	0.9
62.94571	0.7
66.85542	0.7
70.69505	0.7
71.05014	1.0
71.73939	0.8
125.09748	1.1
153.98740	0.8
176.12004	0.9
221.15475	1.6
377.32108	1.3
392.78375	1.1
393.31467	4.2
395.33273	12.6
397.31036	1.4
406.31897	0.9
413.34259	12.8
423.32614	1.3
439.32422	1.2
471.34799	91.7
472.34995	1.5
499.34427	12.7
500.55417	1.0
517.35352	100.0
518.35419	3.3
539.28534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51982	0.4
51.65047	0.5
57.03456	0.5
59.01379	11.6
61.98820	1.1
71.01409	0.6
71.05019	4.9
73.02937	0.8
79.24310	0.5
88.39733	0.6
121.02938	0.6
123.08152	0.8
123.62675	0.5
129.44591	0.6
145.75551	0.6
178.37572	0.6
189.12868	2.4
191.05621	3.2
373.25421	0.9
377.28424	4.6
379.26453	1.0
389.28406	0.7
391.26328	0.8
395.29498	2.5
407.29172	2.0
409.30878	1.0
413.30273	0.7
421.27316	4.8
425.30371	0.7
437.30618	6.4
439.27911	11.2
455.31680	25.8
469.29694	3.0
471.31146	1.2
473.32742	15.7
499.30881	3.9
517.31659	100.0
518.32098	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	517.3167
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
54.55011	0.3
55.01881	0.5
57.03438	0.5
58.00615	0.3
59.01374	1.5
63.58691	0.3
71.05013	3.0
72.99302	0.5
73.02969	0.4
82.01501	0.3
83.05013	8.6
92.10255	0.5
105.37214	0.4
184.23366	0.4
189.12602	0.3
191.05696	0.4
223.55013	0.4
313.25381	0.4
343.26303	0.5
387.25488	2.3
395.29413	0.4
397.31168	0.4
407.29517	0.6
425.30859	1.6
427.32083	1.4
437.31049	0.4
441.30539	0.5
453.30740	0.4
455.31668	2.9
471.31204	4.8
473.32712	5.1
487.30392	3.8
499.23953	0.4
499.30850	1.7
517.31683	100.0
518.31915	3.3
541.13892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3167
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
53.77459	0.8
55.90416	0.7
57.76161	0.7
58.00595	1.1
59.01373	13.8
60.99288	3.0
63.93350	0.7
65.52752	0.8
69.57829	0.8
71.05008	16.0
73.02934	1.5
76.38422	0.8
82.12865	0.8
83.05007	7.1
85.06599	1.5
99.04479	0.8
100.70208	0.8
101.06120	0.8
123.08113	0.8
166.32780	0.9
219.13986	0.8
239.18030	1.1
270.55969	0.9
280.36899	1.0
309.22162	0.8
321.22141	4.6
323.23749	4.4
335.23813	4.8
337.21722	1.5
339.23300	3.4
341.24982	0.9
353.24805	4.5
357.24057	1.1
369.24359	3.4
373.27371	0.9
383.25757	3.2
391.26328	3.0
395.29437	4.2
403.24884	5.3
407.29507	10.5
409.27386	1.7
411.28955	1.1
421.27606	1.3
425.30627	8.9
427.32098	1.1
434.70456	0.8
437.30875	1.1
439.28265	1.9
441.30215	3.5
451.28622	1.1
453.30789	1.1
455.31512	11.1
457.33246	38.6
457.39606	1.6
469.29388	6.8
471.30872	3.4
473.32751	4.4
487.30563	29.1
488.00598	0.9
499.30536	3.2
517.31702	100.0
518.31982	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83556	0.3
52.43850	0.3
57.03448	6.5
59.01371	3.6
59.34792	0.3
61.98820	3.3
62.49591	0.3
71.01373	0.8
71.05010	6.1
73.02937	0.6
73.57445	0.3
77.02710	0.3
77.13683	0.3
83.05026	0.3
85.02939	0.8
86.56287	0.4
92.10061	0.6
93.03476	0.4
94.59599	0.3
97.06585	0.4
99.04522	0.8
101.06075	2.3
106.74966	0.4
121.02943	1.7
135.04497	0.3
189.12830	1.4
191.05615	0.7
203.14378	1.9
215.14441	0.3
229.16089	0.4
321.22092	0.6
323.23889	0.4
335.23749	0.6
337.22318	0.3
337.25464	4.2
341.24899	1.5
349.21378	0.7
349.25378	9.7
351.23218	0.7
351.27014	1.4
353.24954	3.3
363.27020	2.6
365.24936	0.7
367.26456	10.1
369.24335	1.5
371.26205	2.3
377.28497	1.7
381.28015	2.3
389.28479	1.9
391.26404	0.8
393.27890	0.6
397.27548	4.1
399.25186	0.7
401.27130	0.7
403.25253	1.5
405.27994	0.7
407.29672	3.0
409.27469	0.6
425.30673	1.4
435.29169	0.4
437.30746	1.6
439.28589	0.5
453.30130	25.3
455.31964	6.8
469.29788	0.5
497.29163	2.0
499.30734	13.9
517.31677	100.0
518.32153	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3173
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
52.96090	0.4
55.01871	0.5
57.03442	4.7
59.01374	17.7
61.98820	9.8
61.99105	0.7
69.03465	0.6
71.01363	6.3
71.05014	8.4
72.99267	0.6
73.02941	2.0
77.44302	0.6
78.95907	0.5
82.62605	0.5
83.01387	0.5
85.02949	3.2
87.07668	0.5
89.02438	3.1
93.03386	0.5
96.95987	1.9
97.06548	0.6
101.02426	3.8
101.06062	0.6
113.02438	2.6
116.92805	5.7
119.03510	0.9
133.02902	0.5
135.04417	0.7
161.04553	0.7
183.13983	0.8
187.11234	1.1
191.05630	5.9
284.03336	3.3
285.03979	2.9
337.25287	2.1
341.24887	1.1
349.25320	4.7
353.24786	2.5
363.26965	1.1
367.26361	3.6
371.25864	1.1
373.25302	0.6
381.27930	1.0
391.26279	0.6
397.27145	0.7
401.26956	0.6
407.29620	0.8
413.30756	2.0
425.30640	0.8
443.32227	0.8
455.31699	2.8
469.29529	15.0
473.32751	1.2
487.83908	0.6
499.30725	3.7
517.31665	100.0
518.31458	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85430	0.3
55.01878	0.8
57.03450	1.8
59.01374	23.0
60.99294	0.4
67.01890	2.0
69.03442	0.6
71.01369	23.2
71.01744	0.9
72.99296	0.5
73.02936	4.3
74.75884	0.4
81.03444	1.6
83.01378	2.1
83.05032	0.9
85.02938	17.5
87.00854	4.5
89.02428	19.1
90.32965	0.4
92.10803	0.4
93.03437	18.0
95.01348	0.5
96.95953	0.5
97.02953	0.9
99.00856	1.7
99.04510	0.8
101.02435	8.1
109.02942	5.6
111.04510	3.2
113.02458	4.2
117.03471	0.8
117.42141	0.4
117.53705	0.4
119.03484	0.8
119.04992	2.9
121.02908	1.6
125.02406	2.9
127.03997	3.4
129.01947	0.9
131.03502	5.9
133.02960	1.8
133.06525	0.7
135.04504	8.3
138.06857	4.6
139.07706	0.9
143.03540	0.6
149.04562	6.3
149.05807	0.6
151.07628	2.8
152.08435	5.6
153.09195	13.7
159.04494	5.9
161.02425	5.4
161.04535	1.7
163.11259	1.0
171.02985	0.6
173.04500	4.2
175.03955	0.6
176.03900	0.5
179.03534	0.8
187.03989	1.8
191.05597	100.0
192.05959	2.3
205.12337	14.1
223.13516	1.6
233.10226	0.5
239.07080	6.8
240.07678	0.7
253.08734	1.8
255.10260	11.7
265.05045	2.5
265.87543	0.4
266.05762	4.8
267.06357	0.4
281.08188	10.8
282.08640	0.5
293.08682	1.7
325.07193	19.2
337.09250	0.5
339.05191	1.7
343.08081	1.7
352.08051	6.8
352.58136	3.0
353.09027	0.8
385.18625	3.6
513.10760	0.8
517.13544	14.9
517.22845	10.9
518.13989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81516	3.1
59.01382	68.2
61.98838	5.9
69.15454	2.5
71.05027	6.0
80.78299	2.6
85.02946	4.3
92.10064	6.0
98.71169	2.8
108.34605	2.9
127.11431	3.1
133.84660	2.8
165.74875	3.5
191.05614	19.7
199.90228	3.0
206.02797	3.1
407.29562	7.0
423.32635	4.0
425.30670	3.9
437.30582	4.8
455.31500	4.2
457.33337	23.3
467.31607	4.1
473.32733	6.6
485.32703	54.3
487.30069	5.5
499.30127	7.3
516.85028	3.2
517.31268	100.0
518.65057	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81337	1.7
58.00582	2.2
59.01375	57.4
61.98807	2.8
64.33263	1.4
71.04984	8.8
73.02917	2.0
83.05010	1.6
93.03386	3.4
96.18717	1.7
114.35971	1.7
119.11783	1.6
184.48219	1.9
191.05499	7.5
202.24683	1.9
250.56798	1.6
261.52197	1.9
290.01514	1.7
377.28128	2.1
395.29593	2.1
406.28448	3.2
407.29199	7.4
421.31226	3.5
423.32697	2.7
425.30533	6.9
437.30347	8.7
443.31458	2.6
455.31177	11.0
457.33365	30.4
459.83994	1.9
467.31219	10.0
469.29355	3.3
473.32916	13.7
485.32666	64.8
499.30872	11.9
517.31226	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	517.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.2
57.03452	4.8
59.01377	55.5
59.01669	1.9
67.01904	1.7
69.03456	1.4
71.01372	44.0
72.99328	1.6
73.02934	21.9
73.03327	1.4
79.62086	0.9
81.03433	1.4
83.01378	12.2
85.02938	40.9
86.60694	0.8
87.00848	6.9
89.02448	5.7
93.03443	12.4
93.81817	0.9
95.01382	4.9
97.02966	4.2
99.00858	6.9
101.02426	36.8
108.02125	0.8
109.02930	6.6
110.36639	1.1
111.00830	1.5
111.04536	1.4
112.01688	1.5
113.02433	24.7
119.03451	1.5
119.05026	1.0
125.02435	4.9
127.04001	3.6
135.04547	4.4
143.03470	4.1
147.04509	0.9
149.06062	1.0
153.49588	0.9
161.02441	1.0
161.04561	14.0
165.01895	4.8
171.02957	1.1
173.04546	6.0
174.03201	1.1
175.03998	7.0
191.05605	100.0
192.05995	1.5
227.07170	2.2
255.10249	10.0
269.10303	19.5
281.08005	2.9
311.11398	1.8
325.07123	1.0
343.08157	4.4
413.14648	10.9
431.09674	1.5
431.15573	48.5
473.16760	13.9
517.13373	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.9
59.01376	100.0
59.01667	3.3
69.03463	4.5
70.61347	1.6
71.01369	57.6
71.01732	2.3
73.02964	12.3
81.03478	3.2
83.01400	4.1
85.02930	16.0
87.00861	3.0
89.02427	46.1
93.03478	2.6
96.95995	95.1
96.96956	3.2
97.02956	8.3
98.95586	10.9
99.00892	3.0
101.02442	11.8
103.03967	2.0
109.03012	2.2
113.02443	7.6
116.92870	13.9
119.03430	2.1
119.89307	1.9
125.02439	28.8
127.07703	3.8
128.73036	1.8
131.03525	12.6
135.04515	27.7
148.05307	40.0
149.04572	12.4
160.01566	2.8
161.02383	2.8
161.04530	2.2
163.07617	17.4
171.06601	3.0
173.04613	2.4
179.03514	12.8
191.05582	37.8
233.06689	8.8
293.08823	39.9
404.67920	2.3
407.07565	2.7
458.50879	2.4
502.86725	2.4
517.31329	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	517.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.3
55.47971	0.4
57.03452	0.8
58.00600	3.7
59.01383	95.9
66.97253	0.3
67.20563	0.3
69.03455	11.1
71.01376	89.8
72.99297	3.6
73.02943	15.0
75.00863	3.9
81.03454	5.3
83.01383	6.2
85.02944	12.9
87.00867	2.9
89.02431	100.0
90.28381	0.4
92.10126	1.3
93.03408	0.5
95.01372	2.6
96.96001	2.9
97.02936	16.7
99.00861	19.6
99.04496	2.6
101.02426	16.6
107.01389	0.6
109.02941	0.9
111.00897	3.5
113.02428	8.7
115.03994	13.2
116.92846	1.8
117.01896	0.5
119.03505	1.4
121.03001	0.4
125.02422	51.5
125.10826	0.4
127.03961	2.1
130.52914	0.4
131.03481	9.0
134.03725	0.4
135.04478	4.5
139.14041	0.5
143.03465	4.8
147.04576	0.6
148.05292	79.4
149.04549	12.2
161.02425	0.8
161.04527	2.3
163.07631	23.8
163.76146	0.4
166.15054	0.5
173.04587	1.5
175.06061	0.7
179.03462	2.5
183.10233	0.7
191.05606	10.9
193.74123	0.5
233.06638	35.1
293.08768	78.0
294.09167	0.6
457.17178	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	517.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35517	0.8
55.01880	1.9
57.03455	6.1
59.01375	24.8
67.01892	1.4
69.03461	6.2
71.00986	1.2
71.01373	33.3
72.99297	44.5
73.02931	55.5
75.00879	1.7
78.95885	14.4
83.01389	6.5
85.02940	61.2
87.00869	10.1
89.02454	4.5
95.01365	14.4
96.95995	13.0
96.96923	8.5
99.00865	14.0
101.02417	21.2
101.03030	1.2
103.04005	1.4
111.00889	1.6
113.02427	100.0
115.00359	12.7
116.99552	1.0
129.01927	12.0
131.03464	30.6
157.01401	14.2
160.24673	1.1
161.04459	1.2
175.02449	50.5
179.05603	1.3
191.05614	15.0
193.03470	2.1
214.88318	2.0
222.30942	0.9
302.89761	2.3
320.90842	1.3
325.07651	4.3
386.82831	1.6
419.05264	1.4
420.78006	1.1
456.80634	10.8
457.11755	1.2
457.80725	1.6
474.81973	5.2
475.81705	1.5
517.14099	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07350	1.3
55.01883	11.5
57.03455	7.6
59.01377	100.0
71.01375	73.8
72.99308	2.0
73.02936	25.7
83.01381	16.7
85.02952	53.4
85.28634	1.4
87.00887	7.5
87.46003	1.2
89.02445	13.2
93.03450	11.0
95.01385	7.8
99.00869	10.4
101.02437	66.6
111.04521	1.9
112.01688	1.8
112.15764	1.4
113.02439	39.8
119.03481	2.4
119.05051	1.6
120.42788	1.3
125.02423	2.0
127.03969	5.1
135.04498	2.7
143.03479	3.5
159.03012	5.5
161.04553	24.7
173.04558	2.8
174.03275	2.1
175.03960	3.2
182.27472	1.4
191.05609	74.2
223.03127	1.5
241.04936	1.9
255.10306	3.2
269.10284	16.2
281.08191	1.8
311.11273	3.4
413.14957	2.0
431.15585	58.7
432.16022	2.7
447.05637	1.5
456.61102	1.4
473.16675	44.3
517.13733	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	517.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82021	0.7
52.33876	0.8
55.16113	0.8
59.01379	5.6
60.99329	0.9
67.01896	1.0
69.03465	1.0
69.31725	0.8
71.01390	1.2
73.02924	0.7
76.83060	0.7
81.03469	1.1
81.55884	0.8
85.02938	15.6
85.95103	0.7
87.00847	7.0
93.03439	21.5
96.96001	0.9
98.95559	1.3
109.02916	6.0
111.04523	3.6
112.82869	1.0
119.05019	5.0
125.02444	1.6
127.04011	4.1
131.04967	0.9
145.02951	9.0
146.03717	13.9
147.04507	12.2
148.05299	3.3
149.99580	0.9
161.02409	1.6
168.00629	1.2
173.04518	5.3
174.03220	1.5
175.03992	19.1
191.05600	100.0
192.05904	1.4
203.03415	1.2
218.02185	13.7
219.02969	80.4
252.07253	1.0
255.10272	1.9
255.33232	0.8
262.82281	0.9
279.06454	1.1
299.09262	0.8
323.05508	1.2
324.05786	1.1
325.07147	51.6
433.76151	0.9
517.13306	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	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
60.99305	1.0
67.01882	2.4
69.03462	0.7
71.01361	3.8
72.10638	0.4
74.55580	0.4
81.03468	0.6
83.05003	0.4
85.02937	16.2
85.03407	0.8
86.49587	0.5
87.00854	5.8
87.01247	0.4
92.64467	0.5
93.03439	25.8
96.95951	0.4
99.00899	0.5
99.04511	0.7
108.02158	5.6
109.02938	14.2
109.03621	0.8
111.04516	3.7
115.00362	2.4
119.05015	1.9
122.03754	3.4
123.04453	0.6
127.03992	3.0
135.04492	11.3
137.02429	0.7
140.33922	0.5
147.04517	0.6
155.03516	0.9
161.02502	0.5
163.80937	0.5
171.02960	0.6
173.04532	8.4
179.03491	6.4
179.30588	0.5
180.89714	0.5
191.05600	100.0
192.05988	0.6
225.05548	0.5
226.06297	7.5
227.07101	8.6
239.07077	2.0
253.08641	1.0
255.10246	35.9
283.06213	0.5
289.05682	2.0
325.07761	0.7
337.09235	0.9
343.08240	13.6
466.64658	0.5
473.14526	1.6
490.61102	0.6
517.13513	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87128	1.0
53.79702	1.0
57.03442	2.2
59.01378	17.1
64.01358	1.0
67.01881	1.3
69.59997	0.9
71.01379	18.2
71.05016	9.0
72.99300	1.3
75.10732	1.1
83.01389	2.2
85.02960	10.2
86.81527	1.0
87.00867	12.7
89.02454	7.4
93.03455	6.6
96.96004	15.7
96.96941	1.4
99.00886	4.8
99.04513	10.3
101.02430	30.7
109.02949	5.7
111.00853	1.8
111.04508	1.4
111.91328	1.2
113.02422	7.1
115.00349	22.0
117.05560	1.4
119.03439	2.6
119.04957	1.8
121.02937	5.8
123.00946	1.4
123.04498	1.4
127.00346	1.7
134.03697	1.9
135.04506	100.0
137.06052	2.8
139.00348	1.9
143.03491	4.7
147.04474	1.5
149.06049	6.9
157.01398	6.2
161.02408	4.5
161.04533	45.3
161.05872	2.8
163.03964	2.3
163.71194	1.3
165.05521	1.8
173.04517	5.0
173.05887	1.2
174.03212	1.8
175.02444	35.4
175.03973	23.8
177.01950	2.4
177.05701	1.8
178.02673	5.2
179.03491	9.7
179.05667	1.3
181.04962	4.6
185.22755	1.2
187.04018	5.1
189.05580	4.9
190.02791	2.6
191.03690	3.6
191.05594	30.9
193.04999	2.4
201.05505	1.2
203.03503	30.7
204.04306	1.5
205.05011	2.5
206.02289	9.1
215.03424	2.5
215.35942	1.3
219.03006	5.3
220.03734	2.2
221.04572	31.9
233.04472	5.1
237.04051	2.0
247.02441	1.7
265.03500	12.6
275.05539	2.7
293.06628	10.6
337.05197	14.7
355.06570	1.9
355.10355	9.3
371.10132	1.6
470.90945	1.2
499.11023	6.2
517.11938	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65683	0.5
57.03462	1.0
59.01376	2.4
59.77972	0.4
60.99304	0.8
61.96698	0.4
66.56602	0.4
67.01872	3.6
71.01379	2.8
78.53147	0.5
78.96701	0.5
81.03459	0.6
81.35424	0.5
83.05035	1.0
85.02937	15.0
87.00855	6.3
87.01237	0.4
93.03439	23.9
108.02173	7.1
109.02938	16.0
111.04501	3.6
115.00356	2.9
117.03495	0.7
119.05004	2.2
121.02882	0.7
122.03704	4.0
123.04497	0.8
127.03999	2.9
133.06592	1.0
135.04497	11.5
135.05415	0.8
137.02496	0.7
145.02916	2.0
145.06622	0.8
155.03493	1.1
163.03996	1.0
171.02884	0.7
173.04529	14.9
179.03488	6.1
191.05606	100.0
216.15401	0.5
225.05499	0.7
226.06387	9.1
227.07155	8.4
253.08644	0.7
255.10258	45.2
256.10519	0.6
257.01215	0.6
264.89340	0.5
266.89297	0.5
269.50974	0.5
281.08307	1.2
283.06165	1.0
289.05704	0.8
301.94052	0.6
337.09274	0.8
343.08237	16.5
434.36273	0.5
473.14514	2.6
517.13507	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25327	0.4
59.01374	87.6
61.27988	0.4
67.14695	0.5
68.82300	0.4
83.03275	0.4
86.02743	0.4
87.42200	0.4
92.10780	0.9
92.63237	0.5
95.40002	0.4
114.98863	0.7
132.98160	2.7
148.02260	0.4
151.26602	0.4
156.99905	1.0
157.03525	1.5
159.01511	0.6
160.97670	0.5
174.99229	37.0
201.02551	14.3
202.02751	0.8
217.00293	100.0
218.00786	0.9
235.72740	0.5
281.09235	0.5
283.11938	0.5
343.03607	1.9
359.01471	10.8
374.99225	42.9
375.99088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85288	0.3
57.03448	0.3
59.01380	6.4
71.01382	1.5
74.72060	0.3
75.00861	0.3
85.02959	0.5
89.02453	0.7
93.03458	0.5
96.95993	13.7
96.96959	0.7
97.95924	0.4
98.95580	11.0
98.96419	1.4
99.00877	0.8
99.92567	10.1
100.90403	0.4
100.93350	3.0
101.02452	0.5
109.02940	0.7
115.92062	21.5
116.92845	100.0
117.92815	0.4
125.02378	0.4
140.78325	0.3
141.93655	0.6
142.94460	0.6
148.05289	1.3
151.02370	0.3
153.01918	0.7
161.02449	0.6
184.91898	0.4
191.05598	3.3
192.87486	0.3
193.99289	0.3
258.34607	0.3
286.22198	0.3
356.95010	0.3
413.09030	2.1
431.10327	2.6
455.10138	0.6
473.11115	3.7
481.07962	0.5
517.10193	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	515.3738
Annotation	3beta-Acetoxy-12beta,13beta-epoxy-11alpha-hydroperoxyursane
Peak:m/z	Relative Intensity
51.20471	0.3
60.55310	0.3
62.88905	0.3
63.40944	0.3
67.93145	0.3
77.51534	0.2
87.14586	0.4
88.32770	0.4
104.78971	0.3
104.83506	0.3
113.09596	0.3
126.24230	0.3
194.73943	0.4
212.89091	0.3
407.33276	1.7
455.35306	100.0
456.35498	2.2
515.30811	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	515.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10346	1.6
54.81693	2.0
57.45640	1.9
59.01381	100.0
59.01672	3.5
61.98819	3.5
65.94724	1.9
71.05038	2.9
78.95882	15.3
81.60088	2.1
85.02975	4.4
86.45045	2.0
93.03445	3.7
122.21963	2.2
125.09690	3.5
152.99541	4.0
191.05605	39.3
192.05940	10.2
372.04651	2.3
469.33267	19.5
515.33862	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	516.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
61.98829	100.0
71.01384	0.5
73.02913	0.2
74.81258	0.2
83.63345	0.2
85.02937	0.2
89.02429	0.3
89.49492	0.2
92.10780	0.5
96.95991	1.2
111.95129	0.2
151.03952	0.5
174.94560	0.2
191.05592	1.8
239.96028	0.3
463.61993	0.3
517.31543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.7
59.29290	0.1
60.01694	0.2
61.98824	100.0
62.41315	0.1
64.93076	0.1
71.01368	0.9
72.01704	0.2
73.02939	0.5
83.01381	0.1
85.02932	0.3
89.02430	0.7
101.02431	0.6
108.12410	0.2
116.92796	0.1
134.70203	0.1
138.83478	0.2
151.03978	1.0
175.19649	0.1
191.05611	1.2
197.85184	0.1
303.03705	0.1
385.57697	0.2
442.30267	0.3
456.27240	0.2
493.39688	0.2
516.30304	0.6
517.31537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56572	0.2
53.33400	0.3
54.81504	0.3
59.01376	100.0
59.43387	0.2
65.87821	0.3
68.81090	0.3
78.95915	0.4
84.41695	0.3
85.02956	0.4
152.99443	0.3
191.05515	1.2
213.02939	0.3
268.62839	0.4
455.31482	0.6
497.55588	0.4
515.33594	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	515.3389
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
51.31779	1.2
54.91607	1.2
56.69661	1.0
59.01378	21.9
61.98831	1.2
63.29890	1.3
78.95885	6.5
83.05009	10.9
91.46183	1.3
125.09729	1.6
152.99577	3.2
191.05620	16.5
192.05940	2.6
193.06207	1.8
254.17320	1.4
255.23323	7.3
327.26859	6.8
393.31589	19.2
411.32794	5.8
421.30936	14.2
443.31973	2.0
452.28015	1.9
469.33206	2.8
497.32864	12.9
515.33771	100.0
516.34338	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	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93027	0.2
57.66927	0.2
63.93514	0.2
65.58493	0.2
73.70193	0.2
85.89370	0.2
92.10903	0.3
109.13885	0.2
111.20920	0.2
372.83508	0.3
407.33051	1.4
455.35315	100.0
456.35620	2.3
457.35901	1.4
515.30914	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	515.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45367	0.5
59.01382	100.0
60.85962	0.5
61.98843	0.5
64.33269	0.7
71.05011	1.0
106.80396	0.5
171.01569	0.5
191.05605	1.1
228.25688	0.6
328.20868	0.6
330.40207	0.5
353.90604	0.7
357.28568	0.6
369.25772	0.5
383.88068	0.6
411.29272	0.6
425.30563	0.9
439.28470	0.9
455.31302	0.7
471.31412	0.7
515.30048	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	515.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88386	0.6
59.01374	100.0
59.19989	0.6
61.98817	1.2
71.05051	0.7
75.63153	0.8
92.10090	1.3
120.21987	0.8
136.53641	0.7
166.39030	0.8
191.05626	9.6
221.18544	0.7
267.08640	0.9
388.19580	0.8
401.94705	0.8
425.30615	4.8
469.33252	8.5
515.34198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.6
77.07064	2.2
80.66820	2.4
83.05021	5.0
92.10158	4.3
109.08088	2.4
150.20702	2.6
191.05560	9.8
267.03329	2.3
327.26959	4.5
375.30109	2.9
393.31592	20.1
401.11700	2.7
411.32846	3.2
421.31195	3.1
445.65036	2.7
497.32333	20.7
515.33844	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	515.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81813	0.3
55.01877	0.2
57.03444	1.2
58.00587	0.4
58.05060	0.3
59.01377	100.0
61.98820	1.6
71.00974	0.5
71.01369	15.7
71.76877	0.3
72.99282	0.5
73.02942	1.4
75.00845	0.3
76.53397	0.3
78.95882	0.6
82.78876	0.3
82.95411	0.6
83.01396	0.6
85.02940	5.1
87.00871	1.3
88.98781	0.3
89.02426	20.5
93.03444	1.9
94.66425	0.3
95.01379	1.2
96.95995	20.3
96.96977	1.3
98.95614	0.7
99.00854	0.3
101.02422	9.1
109.02973	0.4
112.74555	0.3
113.02442	7.0
114.80898	0.3
115.00398	0.4
119.03495	8.0
131.03490	0.6
135.04478	2.2
141.77693	0.3
143.03497	1.9
149.04547	1.4
159.00792	0.5
161.04558	3.0
161.05701	0.3
173.04500	0.5
177.01874	0.6
179.05571	9.4
191.05597	8.8
208.87823	0.3
267.06662	0.7
323.05765	0.5
415.97012	0.4
455.20004	0.5
455.26523	12.4
469.24368	1.7
471.22250	0.6
515.11212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98838	1.1
71.01364	1.1
71.05020	6.1
82.94689	1.0
85.02940	1.1
86.84438	1.1
93.03436	1.7
93.72704	1.3
97.95908	1.1
99.04476	1.2
191.05621	5.1
239.04539	1.3
264.99210	1.2
325.21750	1.6
337.21735	1.2
355.22690	6.5
360.74649	1.2
363.26935	1.2
371.25708	1.8
393.27930	6.6
421.27505	1.8
437.27084	1.5
439.28543	5.0
453.30200	1.5
455.31705	70.2
456.32065	1.5
467.27948	4.7
471.31314	1.8
485.29236	4.2
497.29041	5.6
515.30090	52.4
542.09485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	0.3
59.01374	7.9
59.24957	0.1
60.99430	0.1
61.98817	0.8
70.61176	0.1
71.01356	1.4
73.02935	0.2
78.95888	3.7
79.95726	1.6
85.02930	0.4
89.02411	1.3
92.10938	0.1
93.03431	3.4
96.95989	100.0
96.96879	6.7
99.00847	0.2
101.02416	0.4
107.28815	0.2
110.56390	0.1
113.02438	0.7
119.03488	0.3
137.02414	3.3
161.04465	0.2
179.05479	0.2
191.05560	1.5
270.30194	0.2
455.26126	0.7
477.23267	0.2
515.30463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	0.3
59.01374	7.9
59.24957	0.1
60.99430	0.1
61.98817	0.8
70.61176	0.1
71.01356	1.4
73.02935	0.2
78.95888	3.7
79.95726	1.6
85.02930	0.4
89.02411	1.3
92.10938	0.1
93.03431	3.4
96.95989	100.0
96.96879	6.7
99.00847	0.2
101.02416	0.4
107.28815	0.2
110.56390	0.1
113.02438	0.7
119.03488	0.3
137.02414	3.3
161.04465	0.2
179.05479	0.2
191.05560	1.5
270.30194	0.2
455.26126	0.7
477.23267	0.2
515.30463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65751	0.2
55.01867	0.2
56.32207	0.2
57.07955	0.2
59.01374	6.7
61.51871	0.2
63.09709	0.2
68.25793	0.2
71.01376	1.0
78.95892	4.0
79.04578	0.2
79.95316	0.2
79.95712	1.8
85.02948	0.9
88.98756	0.2
93.03396	0.2
96.95992	100.0
96.96875	5.7
101.02417	0.8
103.70956	0.2
105.69555	0.2
113.02457	0.4
113.92613	0.3
114.93414	1.6
130.96619	0.2
138.10849	0.2
168.92908	0.2
177.01883	1.1
191.05602	2.8
227.13837	0.2
292.61328	0.3
373.18512	0.3
401.18179	1.5
515.11084	0.4
538.81073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24899	0.1
57.03444	0.2
59.01381	4.8
61.98822	0.2
67.01883	0.1
71.01372	1.7
72.99334	0.2
73.02938	0.8
78.95897	3.7
79.95724	1.8
82.95425	0.6
85.02950	1.7
87.00867	0.4
89.02435	0.6
92.05898	0.1
93.03424	1.1
95.01368	0.1
96.95992	100.0
96.96876	5.9
101.02428	0.9
103.60893	0.1
106.69925	0.1
109.02911	0.2
113.02426	0.7
113.92589	0.2
114.93409	0.7
127.03942	0.3
133.02907	0.6
135.04483	0.7
161.02353	0.6
161.04520	0.4
173.04495	0.8
177.01918	2.1
179.03534	0.3
191.05594	16.6
192.05983	0.2
196.38237	0.1
205.10213	0.1
221.86319	0.1
294.17599	0.1
298.25693	0.2
312.66537	0.2
312.70181	0.2
353.08823	2.1
401.18317	1.7
408.52386	0.2
471.21991	0.8
515.11981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.0
61.98841	0.2
71.01376	0.7
78.95889	4.2
79.87403	0.2
79.95712	1.4
85.02946	0.7
85.77509	0.1
89.02438	0.6
92.10863	0.4
96.95993	100.0
96.96885	7.1
101.02454	0.2
116.36093	0.2
123.00848	0.2
144.74924	0.2
191.05592	1.4
236.57486	0.2
285.03931	1.1
311.05490	0.3
488.56241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34866	0.3
59.01388	1.6
60.99308	0.6
67.01882	3.1
69.03450	0.5
71.01380	1.3
73.23204	0.3
76.07865	0.3
85.02942	5.5
87.00862	4.6
92.10142	0.8
93.03442	19.2
109.02966	0.7
111.04520	3.1
119.05020	1.4
127.04002	2.2
128.65315	0.3
128.73091	0.3
130.07187	0.4
133.02965	2.2
135.04506	20.1
135.05537	0.7
136.04979	0.4
155.03526	0.7
161.02435	7.3
163.03990	0.7
171.03038	0.7
173.04530	4.5
179.03499	14.6
191.05611	100.0
192.05948	0.7
228.52065	0.4
229.01471	0.6
293.04398	0.4
320.95877	0.3
322.72476	0.3
345.09229	0.5
352.07999	0.5
352.57928	0.5
353.08749	6.0
395.09866	2.0
515.14069	35.2
516.14410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69815	0.3
59.01381	0.9
67.01898	0.6
71.01386	0.8
76.09692	0.4
77.90496	0.4
81.78992	0.4
83.05034	0.4
85.02942	10.8
87.00856	3.4
93.03430	7.5
98.61149	0.4
99.04520	1.5
109.02942	0.8
111.04517	2.3
115.28874	0.4
115.29803	0.5
116.47834	0.4
117.03458	1.7
127.03995	3.2
130.37625	0.4
132.02184	1.0
133.02930	9.5
135.04510	6.2
154.30328	0.4
160.01613	4.3
161.02426	57.2
173.04475	2.4
179.03456	5.6
191.05602	100.0
192.05948	0.6
199.80362	0.4
259.08060	0.4
323.07709	35.2
341.08792	0.7
353.08920	1.7
370.79578	0.4
390.11386	0.4
459.53027	0.4
464.12131	0.4
515.14026	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	515.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77486	0.2
59.01374	1.7
60.99305	0.5
67.01883	1.8
69.03449	0.5
71.01370	1.4
73.02932	0.5
81.03461	0.5
83.56036	0.3
85.02936	6.3
87.00858	3.5
89.02395	0.3
93.03433	14.3
96.95989	4.2
99.00882	0.4
103.82897	0.3
109.02932	1.3
111.04504	2.0
116.92873	0.5
123.09351	0.3
127.03983	2.1
133.02925	1.1
134.03642	0.4
135.04497	11.0
135.74153	0.3
137.02434	0.4
155.03502	0.7
161.02402	4.7
173.04498	3.8
173.05769	0.3
179.03485	8.0
190.71964	0.3
191.05592	100.0
192.05974	1.3
223.14102	0.3
251.41628	0.3
323.07761	0.3
341.08783	0.4
353.08749	10.0
395.09412	0.4
515.14117	14.4
516.14398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00854	1.0
57.03429	1.7
58.00597	2.2
59.01372	88.3
59.41813	1.0
62.78068	1.0
68.65916	1.0
71.01365	64.9
71.01743	2.2
72.99294	6.4
73.02933	2.1
75.00867	1.2
78.95895	1.8
83.01382	2.3
85.02945	8.2
87.00859	5.6
89.02423	76.3
93.03457	2.9
94.51837	1.4
95.01346	1.7
96.96907	1.2
98.01289	1.3
99.00864	14.1
99.47511	1.2
99.54296	1.3
101.02425	28.1
111.00863	4.7
111.04460	2.1
112.98799	50.0
113.02416	25.3
115.00337	2.9
116.06869	1.2
119.03471	24.9
124.98855	1.9
129.01871	1.9
131.03485	1.7
142.99852	19.7
143.03436	2.7
145.01331	2.1
145.14822	1.3
155.03465	5.7
161.02431	2.3
161.04530	2.1
167.10966	1.2
173.00839	11.9
173.04521	7.0
175.02327	1.6
179.05600	24.5
191.05569	7.9
257.30984	1.7
323.09937	2.5
323.13260	11.2
341.10861	100.0
342.11252	1.6
394.58398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18777	1.0
55.01903	1.2
55.93111	1.2
57.03462	5.1
58.11326	1.0
59.01383	86.7
64.96152	1.1
66.91222	1.2
71.01378	63.2
72.99314	2.5
73.02941	3.0
75.00895	2.3
83.01392	5.0
85.02945	15.4
87.00886	5.9
88.98814	1.3
89.02433	79.9
92.10754	2.6
93.03473	6.2
95.01384	2.4
99.00873	15.3
101.02426	28.6
111.00890	4.9
111.04515	2.5
112.98799	54.6
113.02436	24.1
115.00368	6.6
119.03488	26.3
127.04062	1.3
129.01930	1.6
131.03445	2.7
135.04555	2.5
135.43018	1.2
142.99855	23.5
143.03473	4.8
145.01453	2.2
161.02478	11.8
161.04561	8.1
173.00911	11.7
173.04544	5.8
175.02487	1.9
179.03746	1.9
179.05569	23.3
191.05597	42.6
192.23561	1.5
219.84331	1.4
323.07703	6.9
323.13409	2.8
341.10895	100.0
342.11334	1.6
515.14008	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	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
64.37846	0.2
71.01390	0.6
78.95879	0.4
79.95744	0.3
81.03461	0.5
82.95425	0.4
85.02959	0.5
88.98787	0.4
89.03960	3.0
89.18552	0.3
92.10185	0.3
93.03445	1.0
95.05006	0.3
96.95992	28.0
96.96991	1.3
97.70985	0.3
101.02420	0.6
104.02670	0.4
105.03457	5.1
105.32881	0.3
108.71418	0.2
109.02958	0.5
114.93413	0.3
133.02940	12.0
134.03745	3.3
135.04506	1.2
143.25850	0.3
148.01604	0.4
149.02431	1.7
151.00357	1.4
160.01628	0.4
176.01140	1.5
177.01913	100.0
178.02304	0.3
191.05574	3.9
193.05075	1.0
212.17412	0.2
287.05634	0.3
339.07190	3.1
515.11884	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	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
67.01893	1.0
71.01384	1.2
73.02972	0.3
81.03470	0.3
83.05026	0.4
85.02938	11.9
87.00850	4.1
93.03436	9.1
93.60145	0.2
96.96009	1.5
99.04543	0.3
109.02935	7.2
111.04482	1.9
124.78072	0.3
127.04008	3.3
131.57899	0.2
135.04498	1.7
145.02925	3.0
147.04517	0.4
159.04494	1.6
161.02396	0.4
161.06059	1.0
171.03011	1.1
173.04512	3.7
175.04024	1.4
179.03510	0.5
185.02361	0.4
186.03212	1.3
187.03984	9.0
191.05597	100.0
192.05931	1.1
213.01929	2.9
214.02673	1.3
229.25183	0.3
237.05484	1.4
239.03450	2.1
251.03329	0.3
251.07292	0.4
253.05051	1.8
255.06618	1.6
277.04950	0.5
279.02975	3.4
279.06436	0.5
280.03595	0.4
281.04495	5.7
297.07565	1.9
305.04315	0.5
323.05600	7.0
324.05957	0.3
341.06653	3.2
479.21176	0.5
515.11920	25.2
516.12109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23592	0.3
58.14929	0.4
59.01381	2.9
63.31806	0.4
67.01884	1.1
69.03468	0.6
71.01378	1.2
73.02963	0.7
81.03447	0.7
85.02940	15.8
85.03420	0.8
87.00863	5.7
91.01862	1.0
93.03433	17.7
96.23349	0.5
96.96004	1.0
99.04497	0.6
109.02933	11.8
111.04510	3.1
119.05031	0.5
119.57133	0.5
121.02922	2.2
127.03992	3.6
129.03476	0.8
130.04250	1.0
131.05014	4.0
135.04443	0.7
137.02475	0.6
139.81071	0.5
142.20042	0.4
143.05025	8.5
145.02937	5.8
146.03732	5.0
147.04504	9.6
155.03535	0.5
157.02879	0.9
158.03653	0.9
159.04541	0.9
173.04549	4.5
191.05594	100.0
195.08157	0.9
205.06554	2.4
209.06073	2.5
211.07526	0.7
221.06003	0.7
222.06781	0.8
223.07637	6.6
224.28638	0.6
229.01419	5.1
232.05313	0.9
233.06076	7.6
234.06815	1.1
235.07570	4.4
237.05519	10.1
237.27621	0.5
249.05501	2.3
250.06334	6.3
251.07115	60.9
252.07451	0.8
253.08678	23.0
255.06581	0.7
261.05533	7.9
262.06372	2.5
264.04172	0.6
269.08130	1.1
277.05069	2.4
278.05759	7.3
279.06589	36.0
280.06665	0.5
295.06055	1.1
297.07703	2.2
305.04373	0.7
323.05603	79.7
324.05807	0.7
341.06641	2.4
471.13040	2.4
515.11884	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
62.78816	0.8
67.01881	0.8
71.01387	1.1
79.68707	0.9
85.02951	14.6
85.16157	0.7
87.00867	6.4
91.01872	1.1
93.02107	0.7
93.03445	16.1
96.95990	6.3
109.02927	12.6
111.04486	2.0
115.00617	0.8
119.05016	0.9
121.02921	1.8
127.03957	3.4
129.03439	1.3
130.04265	1.3
131.04988	7.5
143.05029	8.2
145.02946	6.0
146.03716	3.8
147.04527	9.9
159.04477	1.2
173.04532	4.7
175.03972	0.9
191.05605	100.0
192.05875	0.9
199.80194	0.9
205.06540	1.3
209.05956	1.4
222.06850	1.4
223.07617	6.0
225.38945	0.9
229.01329	5.1
233.06076	4.3
234.06749	1.5
235.07559	4.5
237.05531	7.2
249.05573	1.8
250.06253	7.0
251.07117	58.9
253.08694	32.1
253.76671	0.9
261.05511	6.9
262.06314	1.6
269.08194	1.7
277.05045	1.4
278.05798	5.2
279.06592	31.1
297.07611	4.7
300.76221	0.8
323.05588	68.8
341.06503	6.1
361.78290	0.9
393.08356	1.2
515.11896	35.8
515.19244	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	515.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24580	1.2
50.78209	0.9
56.88457	1.0
59.01371	1.4
60.17117	1.3
60.99316	1.6
67.01885	8.7
71.01387	2.4
76.76933	1.2
77.16315	1.2
84.52354	1.1
85.02939	11.1
87.00858	10.3
92.66119	1.2
93.03437	49.2
109.02940	51.4
111.04520	6.1
120.24876	1.1
127.04031	2.9
129.01865	1.6
130.12697	1.1
135.04515	18.9
137.02527	1.4
145.02954	17.7
155.03522	1.3
159.04504	5.0
161.02403	7.9
161.06030	13.7
173.04536	13.6
179.03481	11.2
187.04042	19.1
191.05603	100.0
213.02025	5.7
214.02658	2.0
239.03476	5.4
240.04257	1.3
253.04964	7.3
255.06558	5.0
279.02951	5.9
280.03693	1.6
281.04648	16.7
287.54282	1.4
297.07712	12.3
323.05597	14.9
341.06631	10.9
385.98758	1.2
438.36478	1.2
504.86502	1.5
515.11963	97.4
516.12115	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	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44040	0.5
59.01374	8.8
60.81178	0.5
61.98837	1.4
64.31572	0.6
67.01891	1.3
69.03448	0.6
69.44083	0.6
71.01380	3.5
71.82258	0.7
72.11366	0.5
73.02942	1.1
78.95902	0.6
79.95757	0.7
81.03426	0.8
82.95441	0.7
83.05005	0.6
85.02940	12.5
87.00861	5.6
89.02437	0.8
90.58516	0.6
93.03444	17.9
95.01376	0.7
96.95992	71.8
99.00887	0.7
101.02425	1.3
109.02956	8.4
111.04498	4.9
113.02426	1.0
114.93359	0.6
123.04504	1.2
125.02481	1.1
127.04009	3.3
129.03493	0.7
133.02953	2.8
135.04503	16.5
137.02423	0.9
145.02948	2.9
146.03647	0.9
147.04547	1.4
149.02463	1.0
155.03481	1.3
160.95677	0.9
161.02415	4.4
171.02914	0.7
173.04523	21.8
173.62360	0.6
177.01892	2.6
179.03484	14.8
191.05597	100.0
192.05975	0.7
195.08092	0.8
206.75470	0.6
209.06140	1.1
214.45717	0.6
222.06889	0.9
223.07639	3.1
229.01399	2.5
232.05237	0.8
233.06128	2.9
234.06688	0.8
237.05574	5.1
250.06300	2.9
251.07106	34.7
253.08533	2.1
261.05536	3.4
269.07898	1.0
277.04910	0.7
278.05807	2.9
279.06622	14.0
281.04614	0.8
290.89066	0.7
297.07864	0.7
323.05597	44.6
324.05685	0.9
333.01041	0.6
342.68250	0.7
353.08783	20.8
417.07785	0.8
477.10147	0.9
497.16534	2.6
505.19888	0.8
515.11725	4.5
515.18176	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	515.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
59.94065	0.2
62.04668	0.1
62.99914	0.1
79.95730	1.7
85.02954	0.3
90.04505	0.1
93.03406	0.3
96.95989	100.0
109.02937	0.4
133.02939	0.9
149.02455	0.2
160.95651	0.3
175.04129	0.2
191.05612	2.3
251.07085	0.8
284.03241	0.4
297.03940	0.9
298.04773	0.3
299.05591	1.3
323.05591	0.8
327.05081	4.3
357.06198	0.8
398.46451	0.2
417.08185	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	515.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43215	0.2
59.01364	0.9
67.31596	0.2
79.95736	1.9
80.71335	0.2
83.24931	0.2
85.02950	1.9
87.00863	0.4
88.43856	0.2
93.03439	2.3
96.95995	100.0
108.02174	0.3
109.02950	1.6
125.02380	0.2
125.74454	0.2
131.04985	0.3
135.04541	0.3
137.02332	0.2
138.58337	0.2
143.04994	0.3
145.02971	1.0
146.03719	0.5
147.04492	0.5
152.01190	0.2
173.04504	0.5
191.05600	10.3
205.46144	0.3
221.22478	0.2
223.07515	0.4
229.01385	0.4
233.06061	1.0
235.07530	0.4
237.05518	1.3
239.47745	0.2
240.10513	0.2
250.06270	0.5
251.04753	0.4
251.07129	7.6
253.08693	2.4
261.05499	0.5
278.05768	1.0
279.06570	3.0
295.05862	0.2
297.07541	0.4
323.05600	11.5
328.50290	0.3
385.06299	0.2
404.50562	0.2
473.89740	0.2
491.58893	0.3
510.47137	0.3
515.11505	1.4
515.18475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22359	1.0
53.94447	1.0
59.01379	18.7
71.01391	5.6
73.02908	1.2
73.41795	1.2
78.95902	2.3
89.02444	2.0
101.02448	3.0
132.44453	1.2
134.74803	1.2
152.99551	2.5
165.80505	1.4
191.05618	2.0
253.09306	9.4
277.21701	100.0
355.31998	1.3
523.77185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20590	0.5
58.48685	0.5
59.01386	0.6
61.98822	13.9
67.58347	0.5
73.20314	0.6
89.57539	0.6
92.10833	3.1
95.05010	0.7
95.40839	0.6
96.95995	1.2
108.40662	0.6
109.02936	28.2
117.03424	0.9
119.05005	1.1
121.02968	0.8
123.04504	19.6
129.15143	0.6
133.02956	4.7
141.22186	0.7
145.02928	2.6
147.04486	5.3
147.05479	0.7
149.43422	0.6
150.03197	1.5
151.03984	9.4
159.04448	0.9
161.02438	10.8
163.03966	0.8
166.22836	0.6
175.03960	0.9
177.01910	36.0
187.03894	2.2
189.01910	74.9
190.02701	16.6
191.03490	17.1
191.05316	1.1
192.03654	0.7
201.01855	0.7
203.03499	8.9
216.00650	12.3
217.01410	58.1
218.02118	3.3
219.02975	19.5
231.02934	14.8
232.03783	0.7
289.06982	0.8
323.05502	2.3
341.06641	100.0
342.06747	0.8
451.10327	71.4
452.10748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2851
Annotation	fijianolide A
Peak:m/z	Relative Intensity
50.66229	3.2
57.63379	3.5
57.99585	2.9
59.01385	21.4
71.01366	3.0
71.55122	3.2
85.02959	3.9
97.06589	3.8
102.59007	3.3
129.72919	3.4
149.06050	5.4
178.37801	3.9
191.05661	18.8
236.59740	4.3
302.72699	4.3
315.19724	8.9
421.27518	59.8
451.28531	20.2
495.28046	5.6
513.21735	6.4
513.28607	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	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03444	0.3
58.00591	1.0
59.01374	100.0
61.98830	2.1
63.51783	0.3
71.01371	16.0
72.99294	1.1
73.02943	1.4
78.95911	0.3
83.01367	0.5
85.02944	3.9
87.00877	1.2
88.84277	0.2
88.98823	0.2
89.02429	18.7
93.03444	2.2
94.98049	2.1
95.01376	0.6
96.95997	6.6
99.00871	0.4
101.02430	10.9
109.02941	0.4
113.02444	8.0
119.02690	0.3
119.03486	8.0
126.43628	0.3
135.04482	1.0
137.02446	0.4
137.09669	1.2
143.03450	1.3
149.04500	0.4
161.04553	2.9
179.05574	4.2
191.05589	4.9
251.07022	1.7
261.18655	0.4
291.14536	1.4
291.19574	1.2
321.04138	0.3
339.05014	1.1
374.07703	0.3
374.28564	0.3
375.07755	0.3
409.22198	1.1
410.22000	0.3
435.24075	1.9
450.14700	0.3
453.24985	25.2
454.24908	0.4
513.10052	0.5
513.21033	1.0
534.99994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03458	0.7
58.00589	0.6
59.01383	100.0
61.98833	1.8
69.03447	0.5
71.00985	0.7
71.01374	18.5
71.01743	0.7
72.99310	0.4
73.02948	4.0
76.55857	0.4
78.95898	1.6
79.95721	0.5
83.01374	3.1
85.02937	9.4
87.00887	0.9
88.06728	0.4
89.01887	0.7
89.02427	14.5
89.02950	0.5
92.04874	0.4
93.03445	1.0
95.01395	2.0
96.95990	34.7
96.96899	3.5
98.01949	2.2
99.00854	0.8
101.02419	12.6
109.02932	1.8
111.00859	0.8
113.02421	8.2
119.03477	7.0
121.06552	0.5
125.02475	0.9
126.98516	0.5
127.02179	0.4
129.01941	0.7
131.03479	0.9
135.04482	0.9
137.02417	5.4
137.09680	0.9
143.03502	1.8
155.01761	0.6
161.04546	2.8
175.11406	0.5
179.05595	4.5
191.05576	5.0
192.05917	1.0
261.18585	12.6
263.07407	8.6
291.14511	1.0
311.64920	0.5
339.05231	0.6
423.23877	33.8
424.23920	0.6
450.14923	0.7
453.24951	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	513.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65057	0.2
55.01879	0.4
57.03453	0.5
59.01374	100.0
61.98816	1.3
69.03398	0.3
71.01373	10.1
72.99287	0.6
73.02937	1.3
82.18069	0.2
83.01383	0.7
85.02949	3.8
87.00865	0.7
88.98799	1.2
89.02426	13.8
92.10084	0.7
93.03439	0.6
95.01331	1.2
101.02423	6.7
113.02425	5.0
118.47310	0.3
119.03486	6.2
131.03508	0.5
136.74704	0.3
137.09709	0.4
140.78674	0.3
143.03525	1.1
161.04526	2.4
179.05585	4.3
188.00192	0.3
191.05563	2.1
203.83549	0.4
261.18469	1.6
299.23557	0.3
342.66739	0.3
423.23929	3.6
450.14709	0.5
453.24942	2.9
513.26221	0.4
536.69397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03449	5.6
57.34091	0.7
59.01376	100.0
60.74977	0.7
61.98833	5.4
65.29534	0.7
66.91502	0.7
67.01913	1.0
71.01372	51.5
72.99333	1.2
73.02932	12.0
83.01394	5.7
85.02943	21.5
86.00100	4.4
87.00864	11.2
87.01229	0.6
87.04512	1.4
89.02425	30.4
93.03450	1.0
95.01388	3.9
96.96000	1.4
99.00877	3.4
101.02425	25.2
113.02432	23.1
113.42168	0.7
119.03464	10.8
131.03476	3.6
137.09740	10.7
143.03482	2.0
145.05069	8.3
159.03021	2.9
160.24118	0.9
161.04538	23.0
179.05542	10.5
187.11223	3.6
191.05592	7.6
201.12833	1.4
201.24937	0.7
203.14439	3.4
205.82803	0.8
209.11845	1.6
213.85231	0.8
217.15976	12.8
235.08257	14.4
242.21173	0.9
273.18594	8.0
290.10788	1.1
290.61041	1.5
358.11292	0.8
380.11035	0.9
453.24698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2696
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
54.41430	2.6
58.00599	4.0
59.01376	91.3
71.01373	3.9
72.99287	6.5
80.20641	2.5
89.02428	3.9
92.64642	3.0
93.03466	3.6
115.00353	3.1
129.09222	5.6
162.11729	2.8
191.05606	18.2
211.13487	3.5
290.41653	3.5
308.67688	2.9
349.24091	4.1
351.21802	4.5
374.57141	3.2
393.22696	3.9
395.24588	6.3
469.28735	4.7
513.27136	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	513.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03443	0.6
59.01382	100.0
61.98833	0.8
70.84013	0.5
71.01372	13.7
73.02941	2.6
83.01382	0.9
85.02934	4.4
86.70033	0.5
87.00861	0.7
88.61416	0.4
89.02428	10.5
92.10125	1.0
95.01369	0.5
96.95829	0.4
101.02422	6.5
113.02449	5.8
119.03486	5.3
137.09726	0.7
143.03525	1.9
149.04439	0.8
161.04527	3.5
177.25963	0.4
179.05550	5.1
191.05655	0.9
217.16013	0.9
247.70778	0.5
261.18445	2.0
335.64389	0.5
422.70416	0.5
423.23859	3.6
453.24869	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	513.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57889	1.2
54.96302	1.2
54.99899	1.3
55.01866	2.0
55.73861	1.3
57.96367	1.4
58.00593	1.9
59.01376	78.4
63.00435	1.5
67.27346	1.4
69.03444	2.7
71.01371	36.7
72.99321	1.9
73.02926	2.8
77.91901	1.6
78.95885	1.7
80.05048	3.5
83.01356	1.8
85.02938	13.1
85.68867	1.4
87.00867	15.0
89.02428	28.9
93.03453	7.1
94.06602	2.2
95.01380	3.7
96.17632	1.8
96.84796	1.5
96.96970	1.9
101.02438	19.4
106.87110	1.6
108.04549	3.0
109.02920	2.4
113.02423	24.4
113.71577	1.9
119.03474	12.6
121.05324	9.2
122.06119	24.0
135.04497	1.9
136.04076	2.4
136.07721	2.1
138.05605	10.6
140.07120	2.0
145.02826	1.5
145.05090	2.7
148.04062	2.6
149.04770	3.3
149.06023	2.8
150.05577	7.0
159.06911	2.7
161.04683	2.1
165.04283	7.0
166.05115	5.9
173.04514	2.0
173.08432	3.7
174.12849	5.8
175.06366	2.0
179.03528	2.0
184.11301	6.6
186.09135	1.9
187.09952	1.7
188.07127	8.2
189.07999	3.0
191.05588	29.9
202.12355	14.1
204.06657	15.6
204.10358	2.7
213.06589	2.7
216.06657	8.8
216.08792	4.5
217.07378	7.0
218.08215	2.9
227.08372	2.4
228.10410	2.9
229.09833	13.5
231.08987	7.4
231.11333	39.0
241.09659	1.8
243.11388	3.2
246.11285	13.4
253.09756	2.9
270.10220	2.5
271.10873	43.1
279.06686	1.6
346.11401	2.8
397.13788	6.6
408.16626	2.5
451.17203	34.2
469.18387	6.1
495.16187	8.6
513.17249	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	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28587	1.2
53.65227	1.3
55.01880	2.5
55.54622	1.6
59.01389	85.3
67.01920	2.0
71.01378	32.0
72.99303	2.1
73.02945	3.4
73.30998	1.4
74.64941	1.5
78.95901	2.1
80.05072	2.9
83.01377	7.4
85.02943	20.6
87.00856	18.1
88.78980	1.5
89.02435	28.0
93.03438	14.0
95.01374	2.4
96.96001	6.7
96.96986	1.9
101.02412	23.8
102.18031	1.6
106.06595	1.7
108.04527	6.0
109.02937	3.0
113.02454	13.3
119.03471	10.1
121.05313	10.6
122.06088	18.4
123.03225	1.6
136.07591	2.8
138.05600	8.4
140.07199	1.7
148.04070	2.9
149.04773	6.9
149.05991	2.8
150.05594	3.4
159.06877	2.1
164.07098	1.6
165.04286	6.2
166.05070	6.4
173.04599	2.2
173.08514	2.1
174.12880	2.1
175.03891	2.2
175.28081	1.7
184.11290	7.4
188.07028	5.4
189.07880	2.9
191.05620	40.1
192.05861	2.1
202.12399	16.4
204.06610	14.2
213.06636	3.8
214.07486	2.5
216.06607	11.6
216.08775	2.6
217.07472	9.9
227.08337	2.1
228.10300	9.1
229.01335	3.3
229.09810	10.6
231.09258	3.1
231.11375	43.0
246.11357	14.0
247.12665	2.3
253.09859	6.6
255.11183	2.5
265.12790	1.7
270.10031	3.8
271.10828	39.7
339.05035	7.0
345.09039	2.9
346.11420	3.6
397.13672	3.6
408.16699	1.9
451.17291	34.5
469.18149	9.7
495.16260	7.3
513.10779	6.0
513.17279	100.0
527.22089	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	513.1029
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
57.98701	0.7
59.01369	2.7
67.01888	3.3
71.01379	1.3
79.63536	0.6
82.77254	0.7
85.02927	4.7
87.00854	6.8
93.03447	21.6
94.71238	0.7
96.95999	3.8
99.38618	0.6
101.74605	0.6
109.02936	1.6
111.04520	3.4
113.02419	0.6
114.05171	0.7
120.60112	0.9
133.02919	1.4
135.04501	3.4
159.04437	1.6
160.01613	1.1
161.02405	5.8
167.08481	0.7
167.80379	0.7
173.04483	2.9
179.03299	0.8
183.08110	0.8
191.05605	25.9
193.06577	1.2
195.08156	6.7
196.05240	0.8
209.05972	1.1
211.07686	4.9
221.06085	5.9
222.06790	2.7
223.07637	9.4
224.04778	1.3
227.03520	0.7
233.06374	0.7
235.17514	0.7
237.05496	3.8
238.06297	1.4
239.07063	8.2
248.04823	0.7
249.05571	5.8
250.06319	3.7
251.07135	8.9
252.04349	1.1
265.04916	3.0
266.05872	2.8
267.06622	18.9
277.05096	5.4
287.15625	0.8
292.03973	0.7
293.04486	5.7
295.06104	17.5
297.91876	0.7
298.94684	0.7
311.05603	6.8
321.04068	7.4
336.99390	0.9
339.05078	100.0
340.05328	3.2
340.64059	0.7
513.10327	91.9
514.10486	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	513.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81876	0.4
59.01376	7.2
63.14130	0.4
67.01881	0.5
71.01376	10.5
71.01749	0.6
72.99306	0.8
73.02931	0.7
78.95921	0.9
83.01395	1.0
83.05042	0.5
85.02940	10.9
87.00858	20.2
91.89406	0.4
92.64016	0.5
93.03448	4.9
94.59058	0.4
96.95435	0.7
96.95983	5.8
100.50693	0.4
109.02972	0.7
111.00878	2.4
111.04549	1.1
113.02428	0.6
115.00356	28.1
127.03984	2.1
127.23432	0.5
138.97997	0.6
139.00365	2.9
153.01828	0.6
157.01393	4.0
163.03941	0.6
171.02985	0.6
173.04547	3.2
175.02460	39.5
191.05608	100.0
198.70091	0.5
198.72186	0.5
215.54068	0.5
220.55945	0.5
221.04526	0.6
231.64034	0.5
327.19635	0.5
337.09329	3.1
339.04907	0.8
513.10596	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	513.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01381	47.1
63.19265	0.9
67.01910	1.6
71.01370	22.2
73.02918	2.0
74.71905	1.1
80.05091	1.2
83.01392	1.3
85.02924	11.6
86.41904	1.1
87.00867	11.7
89.02442	19.0
92.10859	1.5
93.03439	21.3
94.59871	1.1
95.01390	2.9
96.95991	18.9
99.00856	1.3
101.02429	12.8
108.04558	1.6
109.02953	1.3
111.04523	2.5
113.02446	6.6
119.03498	6.4
120.04572	1.3
121.05328	9.2
122.06100	15.7
129.01971	1.4
136.07677	1.3
138.05556	8.3
148.04063	4.5
149.04787	1.6
150.05617	5.5
159.04576	1.6
159.06856	1.3
160.01616	1.4
161.02475	2.5
165.04237	2.2
166.05063	2.2
172.07677	1.2
173.04552	4.3
174.12881	1.2
175.06358	1.4
184.11272	6.3
184.56113	1.1
188.07118	1.7
191.05605	32.5
193.06586	2.3
195.08188	6.5
202.12434	9.8
202.34186	1.1
204.06760	9.9
211.07742	2.3
213.06778	1.2
216.06708	5.1
216.08948	2.1
217.07506	4.6
221.06091	7.7
222.06883	2.8
223.07646	8.3
228.10382	1.4
229.09712	8.5
231.09006	4.1
231.11287	20.3
237.05478	2.1
239.07124	7.3
243.11247	1.4
246.11351	7.8
249.05518	5.1
251.07077	8.0
253.09804	2.0
265.05063	2.6
266.05740	2.7
267.06677	15.5
270.10004	1.3
271.10886	24.8
277.05045	5.3
293.04480	2.1
295.06082	19.2
311.05557	6.7
321.03949	8.8
339.05084	100.0
340.05676	1.9
346.11386	1.4
346.22540	1.2
397.13443	4.0
451.17163	20.5
469.18109	4.5
495.16299	5.4
513.10315	79.2
513.17377	66.4
514.10834	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	512.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70171	1.1
58.42880	1.1
59.01384	5.2
61.98831	7.5
64.08656	1.2
67.01894	1.3
70.19444	1.1
71.01378	2.6
71.41477	1.1
71.82805	1.2
73.02951	1.4
73.41337	1.4
85.02959	8.0
87.00887	2.4
92.10825	2.8
93.03443	9.8
96.96006	2.8
109.02966	3.1
110.06094	12.0
111.04501	2.1
120.99628	4.9
121.05326	2.4
122.06112	15.3
127.03993	1.5
135.04527	1.5
144.04546	16.8
150.05614	1.7
160.04012	2.0
161.02414	1.8
162.05585	1.5
172.04022	7.0
173.04675	8.0
174.05522	6.4
178.08829	1.3
188.03383	1.4
191.05609	67.7
192.05939	2.9
204.06581	11.0
211.08835	1.9
212.05919	9.2
213.09108	1.6
225.06647	11.0
225.10147	1.3
227.11937	2.4
237.10292	16.6
238.08771	1.9
239.08264	17.0
240.08972	5.0
241.09816	1.9
251.11954	10.4
252.10365	2.0
252.12669	5.6
253.06200	22.6
253.09851	24.4
255.11273	1.4
257.08188	5.9
263.08221	1.7
265.06369	1.5
266.06866	5.7
267.07785	19.7
267.11389	7.9
268.08499	8.1
268.12067	8.4
279.07889	2.6
279.11163	3.8
280.08438	10.2
281.09290	42.2
285.08798	2.2
295.10880	34.0
296.11642	48.7
297.12457	2.6
300.11484	1.4
311.10428	1.8
322.93076	1.5
327.13611	1.7
328.10626	26.7
374.18561	2.4
406.17664	7.0
418.17737	30.0
431.13525	7.1
436.18802	31.2
462.16818	14.5
480.17761	100.0
481.18314	1.8
512.20490	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	512.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08175	1.1
59.01381	5.1
60.49447	1.6
61.98832	6.7
71.01426	1.4
79.05364	1.3
85.02941	10.1
87.00836	2.2
92.10887	2.5
93.03443	8.2
96.96001	1.8
101.02463	1.8
109.02938	2.4
110.05488	1.3
110.06107	9.5
111.04506	1.6
120.99663	7.7
121.05327	1.4
122.06108	9.0
127.04015	1.6
128.65115	1.3
144.04539	15.2
146.06145	2.5
151.00410	1.4
160.03998	2.4
161.02386	1.6
161.04788	2.9
165.41742	1.4
172.04068	9.5
173.04594	3.0
174.05589	2.5
177.01860	1.9
191.05589	74.8
192.05927	2.1
204.06636	7.5
211.08771	1.5
212.05917	6.9
213.09262	2.4
225.06624	9.0
225.10190	1.7
236.09563	3.2
237.10307	13.6
238.09019	1.8
239.08165	12.8
240.08983	7.1
241.09586	1.4
251.08067	1.7
251.11966	9.0
252.10295	2.0
252.12621	9.3
253.06160	23.4
253.09792	19.8
254.10683	1.5
255.11467	2.8
257.08154	6.8
259.65579	1.4
263.08295	2.3
265.06235	2.0
266.06927	5.4
267.07721	18.1
267.11331	7.0
268.08502	8.4
268.12106	6.9
274.30368	1.6
278.10321	1.6
279.07675	3.1
280.08365	9.9
281.09296	33.1
285.08759	2.9
295.10876	34.7
296.11606	48.2
299.10245	2.0
311.10309	2.3
313.11761	2.0
322.09735	2.8
328.10614	31.3
331.49597	1.6
374.19086	1.6
406.17657	5.9
418.17688	28.4
419.18286	1.3
431.13538	6.6
436.18732	32.0
462.16653	13.9
480.17722	100.0
494.19211	2.4
511.68393	2.0
512.20215	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	512.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94924	0.4
59.01384	1.0
60.71289	0.5
61.95918	0.5
61.98824	3.0
71.01391	0.7
71.50940	0.4
81.55219	0.7
83.06206	0.5
85.02954	1.2
87.00851	0.7
93.03441	2.4
96.96000	0.8
102.38821	0.6
110.06107	5.6
121.05355	1.2
122.06091	7.7
124.07695	0.8
125.02406	0.8
139.04005	1.0
144.04530	6.8
145.05241	0.7
146.06075	1.3
150.05545	0.7
151.04066	0.6
160.04041	2.5
161.04797	3.1
162.05577	0.8
172.03998	3.5
173.04692	2.8
174.05544	1.1
175.03912	0.6
179.03659	0.5
191.05605	9.6
192.06169	0.7
203.05812	1.3
204.06607	5.6
212.05896	8.5
212.09470	0.8
213.10275	0.8
225.06682	2.7
225.10312	0.7
226.07420	0.6
227.08104	0.7
227.11967	1.1
228.12704	0.7
232.38333	0.6
237.10318	7.9
239.08281	6.4
240.08931	2.8
241.09674	1.9
251.08188	0.7
251.11841	3.8
252.12616	6.9
253.06119	9.0
253.09743	6.5
254.10419	0.7
255.11310	4.6
265.06290	0.7
266.06940	1.0
267.07697	11.3
267.11322	4.6
268.08517	4.8
268.12180	5.8
269.12891	2.8
279.07700	1.0
279.11145	0.9
280.08496	3.8
281.09314	16.4
282.10040	0.6
285.08737	4.0
285.12369	0.7
295.10898	9.7
296.11630	19.7
297.12177	1.0
299.10306	4.4
300.10995	2.1
311.10184	1.2
313.12039	3.9
327.13489	1.1
328.10818	8.6
328.14319	1.5
329.11444	1.4
340.10202	1.6
360.13297	2.2
374.18686	1.0
406.17545	2.3
418.17630	10.3
431.13431	0.7
436.18774	9.9
444.15622	0.7
450.20306	0.7
462.16898	1.3
480.17761	10.8
494.19458	4.2
512.20319	100.0
513.20514	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	511.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83419	63.4
54.49604	54.5
63.61006	47.8
73.23291	55.8
77.00968	50.0
95.22204	60.4
122.96814	65.1
148.06502	54.5
151.17514	62.7
151.18759	56.3
191.05652	100.0
220.07234	53.2
240.67706	65.7
404.04306	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69094	0.2
50.70593	0.2
55.51429	0.2
59.01382	1.0
61.98825	100.0
62.38075	0.2
62.41983	0.3
63.02394	1.2
65.00317	6.1
83.01371	3.6
85.02941	0.3
93.03453	0.4
96.95944	0.3
97.02929	0.2
107.01378	16.0
108.99295	0.3
109.02944	1.1
110.06090	0.4
120.99667	1.9
122.06137	0.9
124.07642	0.2
125.02427	4.0
135.04510	65.8
136.01576	0.3
136.04883	0.4
139.03995	1.0
142.25302	0.2
151.00362	98.8
152.00667	0.4
161.02408	1.4
164.01157	1.0
165.01906	0.9
166.30565	0.2
169.01424	1.9
173.04640	0.3
174.03343	0.3
177.01967	1.0
191.05630	1.7
196.00255	0.3
214.49905	0.2
251.11961	0.2
253.09764	0.4
267.07678	0.3
281.09531	0.3
287.05612	45.2
288.05893	1.0
295.10864	0.4
296.11664	1.2
297.09866	0.5
328.10571	0.9
361.75800	0.2
412.34341	0.3
418.17764	0.4
436.18704	3.7
449.10892	38.8
450.11246	1.3
480.17722	5.4
512.20380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66542	0.4
59.01366	0.6
61.98824	100.0
63.02415	0.8
63.85994	0.4
65.00324	7.2
83.01385	2.9
92.10840	1.5
93.03471	0.5
100.63219	0.5
107.01378	16.7
107.02068	0.7
109.02924	0.8
122.06078	0.6
125.02413	2.2
134.36781	0.4
135.04504	72.7
139.03976	0.6
151.00356	96.8
161.02383	1.0
164.01266	0.8
177.01959	0.6
191.05566	1.0
260.39441	0.5
287.05606	44.8
287.70465	0.5
288.05939	1.0
296.11649	0.9
308.88165	0.5
373.27954	0.5
436.18909	2.4
449.10916	41.9
480.17899	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83116	0.2
59.01369	2.0
60.58004	0.2
61.98824	2.7
67.01873	0.2
71.01374	1.4
73.02937	0.3
73.49548	0.2
85.02939	9.8
86.03261	0.2
87.00866	2.0
89.02439	0.3
90.47868	0.2
93.03444	3.6
94.33814	0.2
99.04491	0.2
101.02444	0.4
109.02937	1.2
111.04518	1.3
120.95105	0.2
123.04501	0.3
125.02413	0.4
127.04013	2.5
135.04497	0.3
137.02419	0.4
171.03035	0.4
172.05280	1.2
173.04561	1.7
173.05832	0.3
183.04411	0.4
187.04082	0.3
187.05928	0.4
187.07622	11.7
191.05598	100.0
192.05966	1.2
199.04012	1.1
200.04765	0.2
204.04201	0.3
213.09264	1.8
215.07175	2.2
227.03448	2.0
228.04305	1.6
229.08632	0.8
231.10301	0.3
257.08157	11.4
275.09210	0.9
277.05237	0.2
307.99515	0.2
449.14508	4.8
466.24048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18980	0.5
56.97668	0.5
59.01376	4.3
61.98837	5.6
62.30037	0.6
71.01377	1.2
85.02918	1.0
89.02457	0.9
92.10822	0.6
93.03435	3.5
96.95984	5.4
97.06599	0.7
108.04527	1.0
109.02948	4.0
110.06091	11.2
113.55874	0.8
121.05346	1.6
122.06073	10.7
123.04488	1.2
124.07662	1.2
125.02406	1.2
132.57062	0.7
133.02924	0.7
135.04492	1.2
137.02466	1.0
144.04555	5.5
146.06140	3.3
150.05522	0.8
154.85776	0.6
160.04016	3.3
160.07602	0.8
161.02425	1.3
162.05554	0.9
172.04001	3.1
173.04706	3.4
174.05612	1.3
177.01897	2.9
188.03505	0.8
189.01906	1.2
190.05115	0.8
191.05602	11.1
192.05942	0.8
203.05875	3.6
204.06700	6.7
211.08711	0.8
212.05864	3.5
217.01381	1.0
222.08034	0.7
223.08807	1.4
225.06755	1.5
227.11824	1.3
236.09500	1.0
237.10321	3.4
239.08224	4.6
240.08855	1.2
241.09785	1.0
251.11833	4.8
252.12709	2.9
253.06203	3.9
253.09624	5.1
255.11377	1.4
266.07019	0.9
267.07745	7.0
267.11356	3.9
268.08575	2.8
268.12143	2.5
269.09290	1.1
269.12958	1.4
271.10980	0.7
276.66840	0.7
277.09891	0.7
278.10907	0.7
279.07715	1.6
280.08688	1.0
281.09268	7.9
283.10806	1.2
285.09088	1.0
285.12381	2.4
295.10870	7.1
296.11639	14.4
299.10248	1.1
300.10989	5.7
311.10400	6.7
313.11963	3.0
325.11905	1.0
328.10690	10.3
329.11526	5.5
332.10403	1.0
341.06631	0.9
343.12881	3.3
344.13751	1.4
355.09030	1.1
362.15012	0.8
374.18738	2.8
376.13025	1.1
387.11795	1.5
406.18027	2.5
418.17706	9.1
436.18707	16.9
449.14749	1.5
450.20071	1.3
462.16794	1.4
468.21521	1.2
480.17752	15.6
494.19794	1.2
512.20367	100.0
513.20807	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	511.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80408	10.1
59.01380	24.2
72.99316	66.7
73.37071	10.5
74.08018	11.1
77.90710	12.1
80.05212	11.6
83.07021	11.3
92.92667	10.7
105.56903	12.1
151.50623	15.5
183.13840	100.0
191.05635	26.7
209.11842	68.0
217.01883	14.4
264.16815	12.1
294.32370	12.9
387.29016	17.7
438.87772	15.3
454.25189	11.9
511.35385	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38315	8.9
54.99058	11.6
55.42804	9.4
56.54599	9.4
56.98631	11.4
59.01388	20.8
61.98820	23.4
75.78751	10.8
78.95885	49.6
80.23097	10.3
87.80694	10.7
109.81942	13.3
111.77490	12.6
115.07484	12.3
138.95663	16.2
159.54730	13.1
163.72815	12.4
170.46822	11.5
181.88228	13.6
191.05589	100.0
283.77612	13.2
293.14401	10.9
420.08691	12.6
511.36121	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11300	0.8
59.01383	5.1
61.98813	0.9
62.99054	0.9
66.55313	1.0
80.02649	1.3
83.04980	7.3
85.02946	1.7
86.80447	0.9
91.05357	0.9
95.05035	1.2
96.18823	1.0
101.02467	1.0
109.02953	1.3
125.09732	0.9
130.11989	0.9
158.46213	1.1
163.11255	4.8
165.12810	1.2
171.10258	10.8
191.05560	6.4
191.10513	1.1
193.08415	1.1
201.24950	0.9
207.13948	1.0
209.11813	100.0
227.12866	7.0
247.13329	5.3
401.23306	1.2
458.53244	1.1
475.27103	1.1
511.28821	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	511.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	56.2
61.26153	37.5
64.26144	41.9
72.73037	43.3
90.56670	44.5
98.18298	37.9
191.05475	100.0
257.35641	45.5
273.97311	42.4
513.23828	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	511.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93153	80.2
81.89037	66.9
82.17290	76.6
92.63483	84.1
101.99576	70.4
117.12872	79.5
120.83302	89.8
124.87366	75.1
170.58380	71.4
195.94907	80.9
225.56723	87.3
233.65709	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13833	18.0
54.05242	19.4
59.01376	20.5
70.14574	27.1
95.88009	25.4
103.01229	24.2
112.05938	25.2
128.43861	22.7
144.69649	28.7
164.47949	23.5
175.83138	23.0
191.05602	100.0
209.11888	25.0
393.61389	28.4
494.55542	25.6
511.35739	39.5
538.62231	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13702	0.8
53.79639	0.9
54.81350	1.0
55.01888	4.6
57.03445	4.4
59.01375	34.9
60.84208	1.1
61.29757	0.9
61.98825	1.5
62.32630	1.1
69.03427	1.3
71.01368	36.8
71.01738	1.3
72.01717	1.0
72.69021	1.1
72.99302	1.3
73.02934	20.7
75.03133	1.0
83.01371	10.8
85.02936	24.2
86.00077	1.9
86.74304	1.0
87.00874	1.8
89.02446	7.3
95.01373	4.7
99.00860	6.0
101.02423	44.8
113.02451	15.6
115.04002	1.6
125.02470	2.2
129.01901	1.1
131.03502	1.3
143.03505	1.6
155.14386	1.4
158.31570	1.1
159.03059	1.3
161.04515	7.6
191.05589	6.2
267.89328	1.3
307.44495	1.3
319.21268	27.4
421.01825	1.2
451.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04164	1.8
55.01873	10.6
57.03448	8.2
59.01374	84.2
61.98845	4.6
64.33240	1.9
69.03469	1.8
69.94099	1.8
71.01368	67.3
72.99303	3.0
73.02939	30.5
75.00842	2.0
81.23232	2.1
83.01382	14.6
85.02945	42.9
87.00846	2.6
89.02440	10.7
91.89208	2.3
93.03430	4.5
95.01402	2.5
97.02943	3.7
99.00871	14.6
101.02425	70.2
113.02444	38.1
125.02458	2.2
131.03514	2.0
135.04503	2.6
159.02951	2.3
161.04536	20.8
168.51941	2.0
191.05617	25.0
266.89874	2.2
286.04739	2.3
302.58679	2.1
319.21255	100.0
451.25497	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.1
68.85670	0.6
75.09167	0.6
78.40586	0.8
80.02673	1.0
81.03445	0.8
83.01368	1.4
83.05011	5.0
84.02145	0.8
96.09251	0.6
96.35037	0.7
97.06557	0.7
112.10571	0.6
125.09689	1.1
128.52834	0.7
144.06677	0.7
163.11282	5.0
165.12814	9.9
183.13882	100.0
191.10811	1.1
200.13608	0.7
209.11816	67.6
227.12891	13.2
250.06935	0.7
301.16492	5.1
393.26520	1.3
438.79254	0.7
467.30478	0.7
511.28946	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	511.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78778	0.4
59.01374	100.0
61.98822	69.0
62.98517	0.7
71.01369	11.1
72.99300	0.4
77.78255	0.4
85.02070	0.5
85.02940	2.1
87.00864	1.9
89.02426	13.5
93.03448	0.8
95.01389	0.7
95.05033	0.5
101.02431	6.4
109.02935	5.7
109.06586	3.7
113.02419	5.8
119.03460	5.5
119.04976	5.0
121.02934	6.4
122.03719	1.1
122.39816	0.5
123.08138	2.2
135.04498	5.7
137.06062	29.7
143.03453	0.7
161.04503	1.1
163.04018	0.7
168.00648	0.6
179.05576	1.1
181.05045	59.4
182.05359	0.6
191.05600	0.8
205.97894	0.5
219.38942	0.5
270.16104	0.5
315.14560	3.2
327.14526	0.8
367.17636	0.9
381.19162	2.1
433.22369	1.9
451.23721	4.1
470.17160	0.5
511.22037	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	511.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61646	0.8
54.81701	1.4
55.01873	5.0
57.03446	2.4
59.01375	30.4
61.98826	1.1
62.25235	0.9
71.01373	38.2
73.02937	19.0
74.68112	0.9
75.21516	1.0
80.23847	0.9
81.03471	1.1
83.01364	8.3
85.02947	21.4
87.00888	2.1
89.02435	7.5
89.69243	1.0
93.03431	1.4
95.01379	1.7
97.02936	1.3
99.00891	7.2
100.42999	1.0
101.02433	42.3
111.00925	1.6
113.02431	13.2
115.03913	1.0
119.89481	1.0
125.02421	1.5
129.01930	1.4
148.74962	1.1
155.14278	1.1
159.03003	2.2
161.04562	7.9
191.05624	5.3
199.86855	1.0
233.06461	1.4
272.42780	1.1
319.21198	29.0
355.75333	1.1
377.68137	1.1
451.25479	100.0
452.25970	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	511.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19558	0.2
59.01383	0.7
61.98819	0.2
63.96239	0.2
71.01374	0.3
85.02954	0.3
89.02467	0.2
92.10740	0.2
93.03487	0.2
96.96021	0.2
101.02435	0.3
113.02415	0.1
114.07160	0.1
120.99635	100.0
121.99997	0.2
143.47958	0.2
153.05635	0.3
160.01605	0.2
166.06311	0.4
175.03944	0.9
177.05605	0.3
180.99611	0.3
191.05609	1.5
192.99652	1.3
196.01909	0.2
208.02014	0.3
211.04225	0.3
223.04381	0.3
241.05443	1.3
382.51144	0.2
465.23560	0.6
511.18607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01380	5.3
60.99307	0.4
61.98831	3.8
67.01889	0.6
71.01379	1.4
73.02946	0.4
85.02941	1.6
87.00880	1.3
88.98779	3.5
89.02474	0.5
92.10985	0.3
93.03454	4.1
94.98069	0.8
96.95987	2.2
101.02427	0.7
108.55650	0.3
109.02945	0.7
111.04503	0.5
116.92826	0.6
117.03441	1.3
119.05003	100.0
124.01625	0.6
125.02456	0.3
133.02916	0.4
134.03662	0.6
135.04492	3.8
137.02432	0.4
145.02933	7.1
149.02441	0.5
161.02495	0.7
163.03990	79.1
164.04321	0.7
173.04517	0.8
175.04010	0.5
177.01901	0.6
181.05040	0.5
185.11787	2.6
185.56123	0.3
191.03621	0.8
191.05579	6.9
199.13358	0.5
216.20453	0.3
261.11261	0.6
285.04053	2.3
286.04251	0.4
325.09164	3.4
349.16318	2.5
362.90332	0.4
449.08868	0.7
449.14642	0.5
451.29041	2.0
511.22668	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	511.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65419	0.5
54.81458	0.5
56.08574	0.5
58.48145	0.6
65.97209	0.6
67.37481	0.6
78.95899	7.9
85.02989	1.1
87.00843	0.7
96.95988	0.8
113.06073	100.0
116.92866	1.0
138.98024	6.3
157.05042	80.8
158.05353	0.7
158.93918	0.7
180.62358	0.6
191.05602	31.3
194.29076	0.6
214.02719	0.7
353.08926	2.9
425.68771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19558	0.2
59.01383	0.7
61.98819	0.2
63.96239	0.2
71.01374	0.3
85.02954	0.3
89.02467	0.2
92.10740	0.2
93.03487	0.2
96.96021	0.2
101.02435	0.3
113.02415	0.1
114.07160	0.1
120.99635	100.0
121.99997	0.2
143.47958	0.2
153.05635	0.3
160.01605	0.2
166.06311	0.4
175.03944	0.9
177.05605	0.3
180.99611	0.3
191.05609	1.5
192.99652	1.3
196.01909	0.2
208.02014	0.3
211.04225	0.3
223.04381	0.3
241.05443	1.3
382.51144	0.2
465.23560	0.6
511.18607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35817	0.4
57.39630	0.5
59.01373	7.7
61.98820	8.1
69.60547	0.4
71.01376	2.8
73.02939	0.8
75.00864	0.7
77.03964	0.5
83.01379	1.1
85.02943	1.2
85.98431	0.4
89.02441	2.3
93.03431	2.4
96.46210	0.5
97.02937	0.6
101.02447	1.3
101.12896	0.5
105.03452	0.6
107.01389	1.0
109.02962	4.0
113.02407	1.9
119.05038	0.9
120.01234	0.6
121.02943	2.8
125.02456	2.1
133.02931	19.6
134.03673	0.9
135.00803	0.5
135.04520	2.8
137.02464	0.8
147.04491	2.2
149.02428	2.1
151.00374	0.7
151.03981	0.9
153.05554	0.7
161.02408	2.6
163.00372	1.9
163.03992	5.7
165.01913	3.0
175.03973	5.0
177.01898	2.3
191.03514	2.4
191.05592	7.1
193.01384	3.0
199.03990	2.4
201.01926	1.9
203.03447	0.6
212.04892	0.7
213.05548	2.6
225.05589	0.8
225.60236	0.5
226.02757	0.5
227.03503	0.7
241.04979	0.7
243.02800	0.5
253.05048	2.3
255.03000	1.0
255.06558	0.6
269.04514	0.8
271.06058	1.0
281.04480	1.2
284.03238	13.1
285.04004	10.4
297.04044	22.1
298.04837	13.4
299.05630	25.0
311.05536	4.6
327.05099	100.0
328.05396	1.9
337.11752	0.6
339.05014	4.7
341.06699	1.1
357.06152	25.5
369.06064	2.9
393.06033	0.7
447.09332	63.9
448.09732	0.9
449.23978	1.1
450.24158	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	510.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52757	0.2
53.34092	0.2
56.05657	0.2
59.01375	0.3
61.98818	3.2
65.00334	0.3
88.98806	0.3
107.01382	1.4
111.87531	0.2
133.02927	6.7
148.12845	0.2
149.02403	1.5
151.00349	5.0
171.04584	0.3
175.03963	3.1
189.05748	0.3
191.05653	0.4
199.04028	2.5
201.01924	1.0
213.05533	0.4
215.03452	0.3
217.05017	1.9
223.04002	0.3
240.88396	0.2
241.05057	1.2
243.02888	1.0
256.03741	2.6
257.04410	0.3
276.36734	0.2
284.03293	3.5
285.04031	100.0
286.04263	2.2
344.18607	0.2
447.09323	33.7
448.09689	0.9
505.51886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46741	0.2
59.01368	2.6
59.20515	0.2
61.98825	100.0
64.06947	0.2
71.01373	1.4
72.01704	0.2
73.02954	0.2
89.02435	1.2
101.02446	0.9
155.21303	0.2
162.79678	0.2
191.05580	1.4
192.05949	0.2
224.36021	0.2
277.97934	0.3
323.34705	0.2
434.17303	0.2
450.23322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36785	0.3
56.75507	0.3
59.01378	2.7
60.03048	0.3
61.60987	0.3
61.98824	100.0
71.01383	1.4
73.02941	0.3
80.47406	0.4
91.32610	0.3
181.04852	0.4
190.16113	0.3
191.05585	0.7
264.26093	0.4
392.16812	0.4
397.28912	0.4
450.23340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87342	0.3
59.01381	2.4
61.98822	7.8
63.02390	0.4
65.00313	0.5
81.92616	0.3
85.02963	0.4
89.02436	0.7
98.50343	0.4
101.02441	0.8
104.20931	0.3
106.01588	0.3
107.01387	2.3
133.02919	3.4
134.03745	1.3
140.50967	0.4
149.02423	0.7
149.99583	0.4
151.00377	4.2
161.04585	0.4
175.03944	0.8
183.04408	0.3
191.05553	0.8
199.04024	1.6
200.04823	0.4
211.04015	0.8
217.05042	0.6
227.03473	0.6
241.04971	0.5
255.02957	0.7
256.03629	2.7
283.02451	0.5
284.00003	0.7
284.03244	58.9
285.04028	100.0
286.04343	1.9
447.09332	70.8
448.09579	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73983	0.2
57.43158	0.2
59.01390	0.4
61.98823	52.5
63.95254	0.2
65.00330	0.4
66.06873	0.2
66.27633	0.2
71.01392	0.3
72.43056	0.2
78.29340	0.2
80.30754	0.3
81.78276	0.2
85.02935	0.4
92.10179	1.1
93.03466	0.3
103.74969	0.2
107.01374	1.3
108.00517	0.2
114.36253	0.3
127.69679	0.2
133.02933	7.1
149.02432	1.5
151.00354	5.7
160.44096	0.2
175.04002	3.1
191.05611	1.6
197.06062	0.3
198.03256	0.5
199.03984	1.7
201.01903	1.1
213.05650	0.4
215.03416	0.4
217.05063	1.4
241.05045	1.3
243.03036	0.4
257.04544	0.3
285.04034	100.0
286.04352	1.6
300.02530	0.4
313.12842	0.3
397.89462	0.3
447.09302	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	509.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62940	0.2
57.53830	0.2
59.01373	21.7
61.98839	0.5
62.12226	0.3
71.01379	0.8
72.99295	3.8
81.03461	0.4
88.98785	3.1
89.02439	1.6
89.99110	0.4
91.00340	0.4
93.03430	0.6
93.07108	0.5
95.05020	1.2
101.02440	0.5
107.04996	0.7
109.02939	9.2
109.06583	5.9
119.05003	6.5
121.02930	9.5
122.03740	1.8
129.04976	0.3
135.04507	9.6
137.06062	44.4
149.04489	0.3
155.10814	1.0
181.05049	100.0
191.05588	1.9
194.88524	0.4
293.08759	0.4
320.57614	0.3
325.09250	1.6
343.10330	3.9
509.20245	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	509.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68694	55.5
55.81071	61.7
56.87603	46.9
61.98851	100.0
64.52813	56.2
73.61217	55.4
111.43082	64.4
156.07249	70.6
157.52179	72.8
169.28970	63.0
229.60115	74.4
266.14365	73.1
348.34232	66.6
408.17239	61.6
440.40079	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	86.6
59.77298	52.5
61.98818	68.8
136.04939	73.7
191.05534	82.1
326.45795	69.6
473.32614	100.0
486.23645	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	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61900	0.2
59.01371	0.4
61.88566	0.2
61.98827	48.8
65.00300	0.2
71.40329	0.2
76.73598	0.2
81.16357	0.2
83.01396	0.2
85.02977	0.7
89.02460	0.3
93.71548	0.2
107.01369	1.4
108.46854	0.2
121.02928	0.3
133.02927	7.1
137.58522	0.2
149.02446	1.5
151.00365	4.8
175.03966	2.1
185.05956	0.2
191.05632	2.3
197.06097	0.3
198.03217	0.2
199.03993	2.0
201.01892	1.0
213.05466	0.3
213.18602	0.2
217.05005	1.4
223.03983	0.2
241.05051	0.8
243.02975	0.8
249.07870	0.2
257.04556	0.3
284.03296	0.9
285.04034	100.0
286.04349	1.6
447.09308	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78547	0.4
54.17671	0.5
59.01377	4.1
61.98822	7.1
71.01389	2.2
81.38636	0.5
83.01414	0.5
85.02955	2.3
89.02454	2.6
93.03466	3.5
95.59664	0.6
97.02968	0.8
101.02424	1.0
109.02951	2.7
113.02467	1.2
119.05046	1.0
121.02927	1.1
125.02431	1.2
133.02927	14.6
135.04515	2.5
147.04578	0.9
149.02426	0.9
161.02443	1.3
163.00372	2.9
163.03986	3.4
165.01898	0.9
167.07069	0.9
175.03979	3.5
191.03688	1.9
191.05585	9.9
193.01430	1.2
198.03322	0.6
199.03957	0.9
201.01907	0.6
203.03474	0.6
211.04088	1.0
213.05493	1.3
225.05573	0.7
227.03513	0.6
241.05057	1.1
253.05099	0.8
255.02895	0.7
255.06639	1.0
256.03949	0.6
269.04608	0.9
284.03265	11.1
285.04034	9.1
294.01627	1.4
297.04028	17.7
298.04810	11.6
299.05591	22.6
300.05130	0.5
309.03836	0.8
311.05374	3.7
319.02383	1.2
325.03452	0.8
326.31183	0.6
327.05090	100.0
328.05576	1.1
337.03607	1.0
339.05096	4.7
341.06741	0.8
357.06165	28.5
369.06219	4.6
393.06161	1.1
447.09351	54.7
448.09674	1.1
511.08661	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	509.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79053	0.9
55.01888	4.5
57.03450	4.4
58.00607	1.3
59.01374	100.0
70.32516	1.0
71.01369	49.4
71.01740	2.0
72.99300	3.7
73.02935	21.4
83.01369	8.9
85.02940	19.7
85.03345	1.2
87.00878	5.6
89.02424	31.3
95.01376	4.5
97.02924	1.7
99.00877	1.7
101.02422	34.9
113.02439	26.7
119.03459	11.1
125.02419	2.1
129.01903	1.1
131.03473	4.3
142.98988	0.9
143.03490	5.3
149.04524	1.8
159.02979	1.2
161.04547	15.4
167.75027	1.1
179.05632	7.5
179.07205	0.9
191.05620	2.0
198.74396	1.1
203.05571	4.3
221.06714	9.9
228.74794	0.9
254.96748	1.2
263.07703	11.7
305.08838	1.9
405.17780	7.5
423.18716	39.2
465.19797	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	509.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38265	0.3
59.01382	3.9
59.35175	0.3
60.99303	2.0
61.98831	0.5
62.88985	0.3
66.22063	0.3
71.01370	1.6
72.99295	14.3
79.79282	0.3
85.02942	1.3
88.98791	11.1
89.02420	1.3
89.99147	1.3
90.99223	1.6
91.00366	2.3
92.10883	1.1
93.03456	0.6
95.94891	0.3
101.02444	0.7
104.94553	0.3
107.05045	0.4
117.03389	0.3
133.02937	0.4
134.03705	2.7
135.04504	100.0
136.04816	0.8
177.85185	0.3
179.03481	73.6
185.11804	0.6
191.05589	3.3
297.27670	0.3
323.07346	0.4
353.08676	0.3
449.27536	1.3
509.20212	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	509.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
63.22213	1.0
63.42379	0.9
69.03445	1.7
71.01369	2.4
74.52849	1.1
78.95900	2.2
85.02934	2.2
87.00857	2.1
92.10178	1.3
93.03447	6.0
96.95990	27.4
96.96946	2.3
97.02940	2.7
98.82800	1.2
98.95580	5.7
109.02176	1.6
109.02940	45.6
111.00854	1.7
123.04530	1.4
133.02950	2.6
135.04504	100.0
137.26413	1.3
143.05013	7.5
145.06586	1.4
147.04527	1.5
148.05238	2.5
149.06067	54.5
151.03993	2.0
159.04489	2.0
161.02370	4.4
161.06055	25.3
162.03246	1.6
163.03976	2.0
163.07663	1.9
165.05508	4.9
171.04417	9.4
172.27203	1.2
173.04532	1.9
173.05968	1.3
174.03175	7.6
175.03889	2.0
177.05557	17.8
179.03445	6.6
188.04709	1.6
189.05559	83.2
190.05882	1.4
191.03648	2.8
191.05586	41.7
191.07123	3.1
201.05516	1.2
207.06607	66.6
219.06526	2.0
221.04565	21.1
231.06578	5.8
235.06100	6.6
239.05574	4.7
245.08243	1.4
249.07707	4.3
251.05626	5.3
271.08334	1.9
287.58932	1.1
297.09836	2.5
311.07797	13.6
311.11310	1.7
317.12503	1.7
353.08862	5.2
353.58878	1.3
369.11856	4.8
375.13422	1.7
383.09753	4.8
397.11279	1.5
401.10803	6.1
411.13135	1.5
413.10852	36.7
415.12189	1.7
443.12149	7.8
455.11877	2.0
473.13022	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.7
57.03460	8.5
58.00597	1.8
58.60318	0.9
59.01376	100.0
69.03467	1.7
71.01370	74.2
71.65430	1.1
72.99327	1.9
73.02933	25.7
77.94020	0.9
83.01373	15.8
85.02942	38.0
86.00062	1.4
87.00852	10.1
89.02425	34.7
95.01399	7.4
97.02939	1.2
99.00853	7.6
101.02428	58.9
101.03104	2.0
109.02945	1.8
113.02442	32.6
119.03477	11.9
123.46783	1.2
125.02407	1.5
130.42583	1.1
131.03453	8.8
139.22964	1.0
143.03465	4.2
149.04547	1.6
154.02951	1.1
159.02972	5.7
161.04529	29.1
179.05589	13.1
191.05620	4.4
221.06612	20.7
236.80569	1.0
261.13382	1.2
263.07666	6.3
331.17676	1.5
343.53027	1.2
412.11996	1.1
423.18762	32.5
449.20319	2.3
463.21960	5.3
465.19791	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	8.4
64.14053	7.3
92.10107	21.0
141.55226	9.3
171.26099	9.5
325.18256	13.2
359.57648	9.2
471.34897	100.0
507.31726	11.9
525.58459	8.2
532.81476	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45053	0.7
55.01880	7.0
57.03441	5.8
59.01376	26.7
59.88748	0.9
61.98820	1.6
71.01370	39.4
72.99314	1.7
73.02930	15.4
83.01355	11.4
83.12196	0.9
85.02934	25.9
85.03411	1.4
86.00105	0.9
87.00859	5.5
88.98775	1.9
89.02421	4.9
93.03439	7.1
95.01368	3.6
98.70382	0.9
99.00872	4.8
101.02431	30.5
108.14717	0.8
109.02929	1.0
111.00877	3.9
111.04502	1.5
113.02434	12.6
115.00451	1.2
125.02460	1.1
129.01823	0.9
133.02914	1.4
134.03688	1.6
135.04501	21.4
137.02441	1.4
137.03444	0.9
151.03998	1.4
159.02933	1.8
160.01634	4.1
161.02441	2.0
161.04547	5.1
173.04584	1.4
175.03996	3.7
179.03453	8.1
185.15509	1.4
191.05588	33.1
194.98952	1.1
206.25410	0.9
269.84958	1.0
299.26031	1.0
345.30078	5.9
374.06238	5.9
410.82828	1.1
432.16379	1.0
447.16071	2.6
447.22083	1.6
507.22403	9.7
507.35379	100.0
508.35297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22768	0.3
53.84044	0.4
59.01377	2.6
62.82550	0.4
71.01386	1.6
73.02940	0.5
78.95899	3.3
81.03428	0.3
83.05031	0.4
85.02935	11.7
85.03416	0.6
87.00409	0.4
87.00887	2.2
88.51646	0.3
89.02417	0.4
90.68610	0.4
90.73721	0.3
93.03426	3.2
95.00305	0.3
95.94225	0.4
96.95995	0.6
96.96951	0.4
109.02957	0.5
110.07941	0.3
111.04490	1.6
113.02406	0.6
127.04011	3.0
133.74812	0.4
154.97498	2.0
157.02927	1.6
169.02893	0.6
173.02415	2.3
173.04544	1.8
175.02489	0.4
183.04456	0.4
185.02441	2.0
191.05600	100.0
192.05936	0.5
199.03996	1.3
201.01915	3.5
201.05402	0.4
203.03413	0.5
213.01932	1.4
225.01942	0.5
227.03514	1.7
229.01390	5.0
231.02956	0.7
255.02971	8.3
257.00906	26.9
269.00867	3.2
271.02380	0.5
282.88486	0.4
284.32550	0.4
299.01959	21.1
300.02057	0.4
309.48593	0.5
317.03079	5.0
338.36874	0.4
353.08841	0.4
363.76797	0.4
449.01212	0.5
449.07242	9.2
449.24072	1.5
491.08145	1.9
498.19781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91451	1.0
54.01712	0.7
59.01380	4.4
61.98841	0.9
63.34020	1.0
67.70410	0.8
74.38223	0.8
79.54089	0.9
84.76053	0.8
117.03448	22.9
119.05000	36.3
121.02941	6.2
133.02977	1.1
145.02942	100.0
163.03993	22.2
240.94142	0.9
269.21201	1.0
287.22311	9.3
292.87439	1.1
415.24933	13.7
433.26144	12.4
507.29651	48.8
508.30243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96692	5.3
61.98841	8.8
73.41416	6.9
77.07841	5.9
83.48241	5.7
178.09283	5.8
239.96634	7.6
365.14822	7.1
370.32175	6.9
471.35086	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	507.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81104	2.0
59.01394	3.1
59.50922	1.9
61.98837	2.8
140.42633	2.4
147.48074	2.3
223.53331	2.2
266.73828	2.7
278.27155	2.2
301.28256	2.4
471.34976	100.0
496.48569	3.0
507.34933	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	507.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09557	1.6
56.60183	1.8
92.10797	2.5
172.97517	1.6
212.90471	1.8
272.35995	2.0
279.23300	8.3
327.05200	1.8
471.34808	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	507.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89582	4.1
54.21872	4.1
59.01375	32.5
59.21135	5.3
62.66251	4.8
74.83895	5.1
92.10866	6.5
97.06575	6.2
109.02893	5.4
125.09682	27.2
139.28773	6.0
147.26660	6.0
160.01608	9.8
174.09355	6.1
175.03976	10.3
196.15025	5.3
209.11790	28.2
445.22305	24.3
463.23340	100.0
471.34851	86.9
489.25189	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78189	0.3
54.90124	0.3
56.84951	0.3
59.01384	1.9
61.41029	0.3
61.44393	0.3
61.82374	0.4
61.98813	0.7
62.42210	0.3
78.95909	1.6
91.03986	0.4
93.03451	0.3
93.15123	0.3
117.03451	2.1
129.19327	0.3
132.02135	0.7
133.02925	25.4
134.03712	8.2
135.04494	17.9
135.11084	0.4
137.02415	4.0
139.04019	1.4
152.99577	2.0
161.02417	100.0
162.02773	0.8
178.02692	0.8
179.03485	5.5
225.22261	0.7
271.22784	9.6
279.23300	5.4
288.59656	0.4
347.25858	8.3
371.25824	0.6
396.51044	0.3
415.24896	36.2
418.39636	0.4
433.26035	8.1
471.35040	0.9
507.29614	52.2
508.30017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.5
57.03454	7.3
59.01086	2.9
59.01382	79.7
59.65869	1.0
60.27310	1.2
62.54302	1.3
70.71093	1.0
71.01379	100.0
72.99300	1.7
73.02943	32.0
82.96529	1.3
83.01373	13.2
85.02944	50.8
85.03416	2.2
87.00859	2.3
89.02436	24.3
95.01382	8.2
97.02949	2.6
99.00877	15.4
101.02428	63.3
113.02435	41.0
113.03175	1.7
119.03468	3.1
125.02434	4.9
131.03479	3.1
135.04570	1.8
143.03430	1.7
159.02916	6.4
161.04527	40.1
176.85295	1.3
177.01930	11.1
191.05470	1.6
211.13431	1.6
315.18130	89.9
341.38910	1.3
346.63467	1.7
371.58813	1.3
376.34836	1.3
447.22318	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
60.44454	0.2
60.99303	17.2
71.01351	0.9
73.02930	0.4
83.01386	0.3
85.02921	0.5
87.00864	0.3
88.98791	100.0
89.02428	1.9
93.03447	1.0
101.02415	0.5
109.02888	0.3
120.99635	0.9
124.01628	0.2
125.02406	1.0
135.04486	0.9
149.99579	0.3
161.02286	0.2
168.00584	1.0
175.03954	0.3
179.03429	0.2
191.05588	3.9
205.17154	0.2
245.49811	0.2
291.75024	0.2
301.03427	0.2
345.22806	0.5
374.36133	0.3
398.17102	0.2
404.47623	0.3
507.11362	1.4
507.21643	0.3
507.28165	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46341	0.2
55.01883	0.3
59.01374	4.8
60.99302	17.7
65.86548	0.2
71.01376	1.3
72.99310	0.6
73.02910	0.4
75.00867	0.3
85.02939	0.7
87.71410	0.3
88.98789	100.0
89.02419	2.3
92.10831	0.8
96.95982	5.9
96.97007	0.3
101.02456	0.6
113.02451	0.4
135.04510	9.3
163.75960	0.3
163.77353	0.4
165.12805	0.6
173.71188	0.4
179.03453	6.8
183.13802	0.7
191.05571	2.3
212.58760	0.3
254.37241	0.3
447.21616	0.6
447.27161	0.5
507.19382	0.7
518.44885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87134	0.9
55.92525	0.8
57.03444	50.6
59.01373	22.2
61.98821	5.2
69.03428	1.2
71.01371	7.7
73.02957	3.9
74.41333	1.1
77.52197	0.9
78.95926	1.1
83.11343	0.9
85.02941	8.4
87.00865	2.5
89.02448	2.2
93.03451	12.6
99.00868	2.1
101.02436	2.1
103.56659	1.0
109.02946	5.8
111.04478	1.8
116.92854	2.4
121.02934	42.0
125.02433	1.0
129.15392	1.1
134.03775	2.1
135.04491	15.2
137.02464	1.5
137.58478	1.0
139.03966	1.1
142.08551	1.0
160.01627	1.7
173.04518	2.5
175.03972	1.2
179.03540	5.5
179.07118	100.0
191.05591	44.7
192.05865	4.1
200.04774	1.0
267.19672	1.5
325.60672	1.0
353.14142	1.1
449.14459	1.5
507.22485	7.9
507.32895	2.2
526.40790	1.0
527.85236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87134	0.9
55.92525	0.8
57.03444	50.6
59.01373	22.2
61.98821	5.2
69.03428	1.2
71.01371	7.7
73.02957	3.9
74.41333	1.1
77.52197	0.9
78.95926	1.1
83.11343	0.9
85.02941	8.4
87.00865	2.5
89.02448	2.2
93.03451	12.6
99.00868	2.1
101.02436	2.1
103.56659	1.0
109.02946	5.8
111.04478	1.8
116.92854	2.4
121.02934	42.0
125.02433	1.0
129.15392	1.1
134.03775	2.1
135.04491	15.2
137.02464	1.5
137.58478	1.0
139.03966	1.1
142.08551	1.0
160.01627	1.7
173.04518	2.5
175.03972	1.2
179.03540	5.5
179.07118	100.0
191.05591	44.7
192.05865	4.1
200.04774	1.0
267.19672	1.5
325.60672	1.0
353.14142	1.1
449.14459	1.5
507.22485	7.9
507.32895	2.2
526.40790	1.0
527.85236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.99303	17.4
63.43670	0.3
64.34726	0.4
71.01357	0.8
72.99291	0.3
85.02917	1.2
87.00877	0.4
88.98790	100.0
93.03436	4.9
96.95994	0.5
110.10785	0.4
113.02443	0.4
116.92834	0.8
121.62411	0.4
124.01644	0.3
125.02455	0.3
135.04521	0.6
149.99498	0.5
168.00578	0.6
173.04494	1.5
191.05594	5.1
207.97560	0.4
233.11784	1.7
233.93608	0.4
507.11786	1.2
507.21805	4.1
507.28235	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	507.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66128	0.1
59.01371	2.6
60.86840	0.2
60.99301	0.4
69.12003	0.2
69.22213	0.2
70.98814	0.2
71.01374	0.9
72.99296	0.4
75.00854	1.1
85.02942	0.4
87.00847	0.4
88.98788	3.9
89.02437	0.3
93.03421	2.0
101.02443	0.4
107.05018	1.0
109.02968	0.2
113.02394	0.2
117.03449	0.3
119.04998	1.2
120.99595	0.3
134.03714	2.9
135.04507	100.0
136.04836	0.4
137.02429	0.3
139.03973	0.9
145.02934	0.7
148.05315	0.3
163.03903	0.2
173.04593	0.4
179.03482	75.4
180.03847	0.8
191.05606	2.8
233.11702	0.2
253.01231	0.2
422.08981	0.2
471.12933	0.5
507.22052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1139
Annotation	Moghanin A
Peak:m/z	Relative Intensity
52.42895	0.5
57.03456	0.9
59.01378	8.3
61.40469	0.5
69.03448	4.8
71.01385	4.1
72.99303	0.8
73.02953	0.7
79.01890	0.8
81.03446	1.1
83.01402	1.2
85.02966	4.2
87.00884	1.2
88.98804	4.1
89.02443	3.2
89.43497	0.6
90.76093	0.6
92.10911	1.3
93.03459	3.3
95.01379	3.0
97.02966	4.8
101.02425	1.1
107.01395	2.5
109.02926	1.4
111.00902	2.5
113.02481	0.8
116.13853	0.6
116.92864	0.9
119.05016	0.7
121.02954	1.6
123.00871	14.3
123.04565	1.0
124.01643	36.5
125.02424	73.0
132.02151	1.2
133.02907	1.1
133.21858	0.6
134.03717	12.7
135.04492	3.2
137.02409	4.2
139.03958	1.0
145.40834	0.6
146.03737	3.6
149.06062	0.9
149.99574	62.4
151.00305	5.1
160.01639	16.0
161.02415	1.6
161.06070	3.6
166.06261	1.5
167.07190	0.9
168.00629	97.8
169.01399	12.6
173.04590	0.7
175.03958	17.1
175.05351	1.2
179.03589	0.8
191.05643	6.7
193.04958	4.9
201.11395	0.8
227.33856	0.7
244.77298	0.6
285.03906	1.2
313.05658	4.9
327.05026	0.7
327.12598	1.6
331.06647	16.5
337.09183	1.1
345.22806	1.5
417.08325	1.0
446.12781	1.0
489.10107	2.9
507.11401	100.0
507.27826	3.1
508.12012	1.5
510.65302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53727	5.0
57.03443	5.7
59.01382	38.0
60.99313	13.5
61.98833	5.0
66.59937	5.1
71.01378	9.8
72.99330	22.6
87.00854	7.4
88.98790	100.0
93.03426	8.3
96.96012	23.5
111.88442	5.5
122.98624	6.1
123.00835	9.3
124.01654	6.5
125.02448	26.8
132.04562	6.9
133.02953	12.4
135.04541	6.7
149.99605	22.5
167.03510	6.2
168.00645	14.2
177.70357	5.6
179.03410	5.6
191.05643	45.2
224.00404	5.8
285.04105	9.7
297.03979	11.7
298.04718	7.3
299.05643	11.0
327.05054	12.6
343.04367	7.0
357.06274	10.8
417.08261	13.0
507.11035	33.6
507.18463	28.5
507.27921	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.39
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08281	36.3
52.72024	45.1
55.78790	39.2
59.01373	100.0
61.98838	63.3
63.12603	38.6
70.02144	44.9
74.02037	43.1
75.48876	40.9
147.82153	47.3
191.05620	83.7
195.07626	44.0
200.19315	50.1
236.30539	47.9
248.09752	47.9
289.40085	52.4
469.33331	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83562	11.9
55.18599	11.0
58.13763	9.9
59.01375	14.4
59.54701	10.3
61.75149	11.1
63.71268	10.5
64.59927	14.3
67.00280	11.4
69.29966	13.0
78.95893	16.2
86.64275	13.3
95.82933	12.6
96.33840	13.4
105.83367	12.9
121.59789	15.2
172.81296	12.7
191.05603	27.7
254.77371	16.2
459.34177	14.3
469.33521	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	507.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05603	0.8
59.01387	3.5
59.94366	0.8
60.99304	18.3
61.96043	0.8
63.00298	0.8
69.35021	0.8
71.01366	1.5
88.98792	100.0
92.10129	4.0
93.03456	1.3
109.02950	1.5
109.92921	0.9
113.38483	0.8
121.02896	1.5
125.02457	1.5
127.67118	0.9
133.02930	14.9
135.04535	1.2
147.04533	1.2
149.02380	1.1
149.40019	0.8
155.79747	0.8
163.00313	1.8
163.04005	4.7
165.01883	3.7
175.03973	5.3
189.64772	1.0
191.03468	1.8
191.05620	1.4
253.04826	1.0
271.06107	1.6
284.03262	15.4
285.04031	10.4
297.04004	17.2
298.04773	12.2
299.05643	24.2
309.04102	1.0
311.05664	4.1
327.05081	98.4
339.04980	3.2
357.06229	19.0
381.06131	1.1
417.08246	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47245	1.8
59.01371	2.1
65.04563	2.0
67.01893	13.7
71.01379	2.4
78.95908	9.4
81.31924	1.9
82.76271	2.0
85.02949	12.4
87.00863	15.4
90.62655	1.9
93.03436	73.8
96.95995	24.5
105.03448	7.7
109.02923	5.1
111.04519	11.6
121.02911	4.0
123.04471	3.5
133.02942	70.8
135.04538	3.4
137.02414	8.1
137.06071	2.5
139.52110	2.7
154.97490	7.8
160.67172	2.4
173.04533	36.1
177.01874	7.6
180.74031	2.3
181.05045	9.1
191.03801	3.2
191.05585	100.0
195.02974	15.7
215.05571	11.6
263.89255	2.3
351.07297	27.6
369.08231	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.354
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
53.69958	2.1
57.03454	4.2
59.01368	9.5
60.34181	1.7
60.99303	3.0
61.98823	3.0
80.54621	2.1
114.37817	2.2
117.03460	19.7
119.05008	28.0
120.93045	1.9
145.01900	4.1
145.02940	66.5
163.04012	14.9
183.21524	2.1
191.05644	7.5
285.20657	3.1
317.48965	2.1
409.30881	3.5
411.32642	44.2
413.23428	7.6
431.24512	4.4
473.32727	42.2
505.28110	28.7
505.35303	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	505.3537
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.81656	1.9
57.03449	4.5
59.01370	10.8
61.74546	1.6
83.05012	27.5
97.06577	2.5
110.55300	2.2
117.03471	3.6
119.05011	15.1
124.30109	2.0
136.22740	2.1
139.90825	1.9
145.02937	38.0
151.37579	1.8
157.32085	2.1
159.61774	2.1
163.03978	9.8
191.05618	2.6
250.75179	2.3
411.32526	2.9
459.34244	3.4
473.32660	36.7
505.28082	13.9
505.35107	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	505.3541
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
58.00592	6.5
58.00850	0.9
59.01369	5.6
72.36473	1.1
77.67490	1.0
97.06593	3.9
145.02927	6.1
187.77654	1.0
191.05672	3.5
217.69241	1.1
221.80022	1.3
264.23352	1.0
307.55365	1.0
310.04349	1.1
377.28290	9.7
387.29187	1.3
393.31680	14.3
407.29483	4.1
409.31299	2.1
423.32700	29.4
425.34421	9.4
441.33701	4.3
453.29871	1.9
469.33185	5.0
487.34305	5.7
505.35349	100.0
506.35864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.354
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
59.01374	10.2
61.98839	0.9
65.57335	0.7
71.01381	1.1
92.10809	1.5
93.03462	3.7
133.02940	2.3
135.04558	1.1
137.02534	0.8
173.04532	0.9
183.13933	0.9
191.05594	7.7
192.06058	1.0
211.13474	1.3
258.28027	0.6
263.36789	0.7
341.24890	0.9
393.31784	1.5
398.62201	0.7
487.33344	0.9
505.35385	100.0
506.36023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54172	0.9
53.79966	1.0
57.03439	2.2
58.00597	13.6
58.78827	1.0
59.01374	44.3
59.39140	0.9
60.22067	1.0
60.99307	5.6
61.98833	1.5
62.15761	1.1
66.25901	1.2
67.15427	1.0
71.01371	8.6
71.05010	13.6
73.02952	5.3
83.05017	2.4
85.02952	7.4
85.06097	1.1
85.06610	2.5
87.00867	1.1
89.02441	4.4
90.70117	1.0
93.03459	5.9
99.00871	1.5
101.02420	5.7
103.75957	1.2
108.95691	1.2
119.03573	1.4
133.02953	1.5
135.04518	1.4
137.02371	1.4
137.09700	1.8
138.41829	1.1
164.82280	1.2
173.04507	2.1
173.42906	1.1
177.12804	1.2
191.05632	29.8
192.06015	4.2
209.11940	2.6
211.13420	1.7
221.14778	1.2
255.03026	1.5
292.40787	1.2
323.23825	1.6
337.25281	1.3
343.28424	1.8
395.29562	9.5
405.31842	2.6
409.31152	1.5
411.32748	23.4
423.32721	7.7
425.34790	8.5
441.33795	67.1
443.35330	100.0
444.35736	2.1
455.31393	2.2
457.32703	10.2
459.34097	2.1
461.36426	10.2
475.34155	11.4
487.34305	69.1
505.21725	1.4
505.34772	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56835	0.6
55.01870	1.0
57.03445	1.5
58.00593	3.7
58.37342	0.7
59.01376	34.7
60.99310	2.0
61.98828	1.2
69.24081	0.7
71.01380	8.7
71.05019	6.7
72.32763	0.7
73.02938	4.1
79.41922	0.8
83.01382	1.0
83.05032	1.4
85.02922	8.3
85.06566	3.5
87.00883	1.5
89.02457	1.7
93.03432	5.5
99.08173	1.2
101.02431	4.8
108.97812	0.8
111.22308	1.0
119.03519	0.7
121.02966	0.9
133.02965	3.0
134.49660	0.7
135.04503	5.3
137.09703	1.8
155.03506	0.8
173.04547	1.7
179.03421	1.3
191.05602	32.7
192.05873	5.1
193.06084	0.8
199.04019	1.2
205.15935	10.0
209.11829	7.3
210.12115	1.1
211.13338	1.4
221.15495	1.3
227.03595	1.4
228.03917	1.2
239.20221	0.9
253.09253	0.8
283.13416	1.4
323.23691	1.0
325.25348	0.8
352.07401	1.2
387.63171	0.9
395.29669	1.7
396.29547	0.9
409.31082	1.5
409.72394	1.0
411.32779	5.4
423.32547	1.4
425.34329	35.3
441.33914	17.0
443.35324	100.0
444.35733	1.6
446.67081	1.0
457.33035	3.2
461.36496	4.3
475.34143	5.9
487.34360	48.9
488.34866	1.8
505.29095	25.4
505.35880	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.8
57.03449	4.4
58.00592	1.0
59.01376	35.4
60.99351	0.7
61.98840	4.1
64.33450	0.6
65.51314	0.6
66.81842	0.7
67.54823	0.7
69.03455	0.9
71.01369	38.7
71.01746	1.6
71.05009	1.4
72.99297	1.0
73.02933	12.8
75.00853	0.7
83.01377	9.8
85.02937	30.4
86.00061	1.2
87.00874	4.3
89.02432	5.2
92.10161	1.9
93.03436	6.0
93.03983	1.0
95.01371	4.1
97.02908	0.9
99.00296	0.8
99.00845	7.4
101.02423	27.6
111.00901	5.3
111.04505	1.1
113.02425	13.2
119.04993	1.1
121.10195	3.9
127.03989	1.3
129.01878	1.1
159.02948	1.5
161.04556	5.4
163.04001	1.0
171.03217	0.8
185.15443	1.7
191.04002	1.5
191.05602	32.9
192.05966	8.0
193.06110	4.0
199.03986	1.1
209.11795	2.9
227.03592	1.3
244.84218	0.8
283.13449	1.6
285.13980	0.9
325.14178	0.8
343.28485	3.7
347.20697	1.2
353.14066	1.0
441.33142	3.0
475.32809	1.3
489.20581	1.1
489.70450	1.0
495.70319	1.4
504.71362	1.7
505.21381	3.4
505.34067	100.0
506.34735	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
61.98813	94.0
66.73583	53.6
71.83355	67.4
139.68768	77.3
168.74228	65.0
192.54880	70.2
268.32919	73.4
340.27289	85.0
528.85284	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	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12361	0.5
54.44411	0.6
55.01875	7.8
55.17471	0.6
57.03446	6.5
59.01377	26.9
59.97697	0.7
71.01379	35.6
71.05020	0.8
72.99301	0.8
73.02942	12.8
83.01379	9.2
83.74931	0.6
85.02951	26.5
85.06617	0.8
86.00121	2.8
87.00880	3.1
89.02439	3.8
89.65751	0.6
93.03439	0.8
95.01379	3.1
97.02925	0.7
98.42059	0.6
99.00870	3.9
101.02428	26.6
104.37698	0.6
110.64450	0.6
111.00892	4.2
112.49039	0.6
113.02434	14.7
124.35267	0.6
126.67769	0.6
129.01901	0.8
159.03003	1.4
161.04503	5.3
191.05539	8.1
192.06006	1.4
209.11826	1.0
242.02026	0.8
279.23239	3.0
285.04120	0.9
288.47565	0.7
313.03583	9.4
328.05811	4.6
343.08261	8.6
343.28427	12.1
419.29440	0.7
461.35596	0.7
505.33871	100.0
506.34070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01387	3.0
62.77885	0.4
71.01361	0.4
71.90308	0.5
78.95888	29.4
95.07446	0.5
96.96961	3.1
134.43457	0.5
139.57928	0.5
150.98039	0.7
152.99568	46.7
171.00587	2.0
227.03177	4.2
233.98000	0.5
259.20349	0.7
277.21698	100.0
278.22037	0.9
359.45331	0.6
505.25729	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
64.32939	1.2
71.05012	6.3
78.95885	26.6
81.50508	1.1
94.32087	1.1
96.96938	1.5
97.06587	1.7
109.13540	1.3
133.99655	1.3
152.99582	41.6
181.67732	1.2
191.05614	1.7
227.03200	2.0
277.21701	100.0
309.41275	1.2
337.25345	2.8
399.91904	1.2
407.24692	1.4
423.32541	2.6
425.34360	19.3
439.32071	9.5
457.33206	28.2
469.33154	20.7
505.25732	57.7
505.33978	1.9
506.26218	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40364	1.8
57.03447	4.5
59.01377	33.3
60.99308	18.9
61.98836	3.2
71.01366	18.2
72.99318	2.4
73.02943	4.7
81.03453	2.5
83.01375	3.6
85.02943	5.5
87.00887	9.2
88.98790	100.0
89.02422	18.1
93.03443	5.3
96.95988	9.9
101.02427	15.7
109.03000	2.3
113.02419	7.7
121.06618	3.3
123.04510	20.7
123.08116	20.7
133.06610	4.3
134.07382	11.3
135.04465	4.1
149.04530	10.4
149.09706	4.5
155.26828	2.2
173.09660	4.5
177.01891	3.2
191.05598	26.4
199.01904	2.4
217.15932	4.4
229.08679	28.4
261.18552	76.8
263.19199	3.3
271.02457	5.0
300.02707	12.1
305.17569	48.6
306.17841	3.4
311.09415	3.1
313.16324	2.8
445.20737	11.8
449.14288	2.3
505.21768	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34898	0.6
54.74455	0.5
54.94290	0.6
55.01884	0.7
55.83411	0.5
57.03447	1.3
59.01381	4.7
63.68660	0.6
68.99808	4.3
69.03449	1.6
71.01380	7.5
72.99318	0.7
73.02957	2.6
75.00869	1.0
83.01383	1.3
85.02934	6.9
87.00867	4.4
88.98771	1.0
89.02430	1.1
92.10931	1.4
93.03449	3.1
96.95990	1.3
97.02939	0.9
99.00877	4.5
101.02434	2.8
102.98592	1.6
109.02958	6.8
111.00880	2.8
113.02439	4.5
113.09689	0.7
113.99577	19.4
115.00368	7.0
116.92826	1.1
127.00336	3.8
129.01956	1.1
134.03694	1.3
135.04498	3.8
141.01990	0.8
146.54402	0.8
157.01390	4.0
161.02382	2.6
162.84206	0.7
173.04576	0.9
174.01674	18.2
177.01875	0.8
179.03508	1.0
185.11816	23.6
185.13448	0.9
191.05603	18.8
192.05951	1.0
199.13376	1.7
255.10229	3.7
265.08691	1.1
271.02524	2.5
283.04895	1.2
283.15421	0.8
299.05865	0.7
300.02734	3.1
301.03333	0.9
445.17175	9.2
463.09155	1.3
499.42151	0.8
505.12241	4.5
505.19281	100.0
506.19464	3.1
506.26486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03452	0.9
57.56210	0.8
59.01374	24.4
71.01372	93.4
73.02943	4.1
76.56112	0.9
83.01375	0.8
85.02934	6.4
87.00883	4.8
88.98803	4.8
89.02439	11.2
93.03454	3.7
99.00837	1.2
101.02424	8.0
109.51022	0.9
109.51719	0.8
111.08197	0.9
113.02451	4.3
115.00362	100.0
119.03493	0.9
121.02908	0.8
124.20119	0.7
131.03487	1.0
149.04572	1.1
161.04547	1.6
165.12839	14.6
167.14241	0.7
183.13879	25.1
191.05614	12.3
197.81966	1.0
207.13939	1.5
209.11794	1.5
227.12883	22.7
239.02890	0.8
244.91238	0.8
250.56233	0.9
251.12857	4.6
269.14047	1.2
289.17001	0.9
299.15036	1.0
300.02832	1.1
313.16492	3.6
329.16217	6.0
389.18301	6.0
445.20770	10.7
505.19275	33.5
505.26913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03443	0.3
58.12624	0.2
59.01373	13.3
60.01722	0.4
61.01802	0.5
62.08965	0.2
71.01373	5.7
73.02933	1.8
81.03452	1.0
83.01407	0.4
85.02929	3.0
85.16301	0.2
87.00887	1.0
88.98795	1.1
89.02419	3.0
89.03946	2.6
92.10789	0.4
93.03445	1.3
95.01394	0.2
96.40919	0.2
97.02942	0.2
99.00880	0.8
101.02417	4.3
104.02694	0.8
105.03446	5.0
109.02922	0.4
113.02424	2.3
119.03465	0.3
123.04496	1.5
124.01749	0.2
132.24026	0.2
133.02931	11.6
148.01649	0.9
149.02443	1.3
149.04520	0.5
152.09398	0.2
161.04533	1.0
173.04541	0.4
176.01140	1.7
177.01907	100.0
178.02277	1.3
183.13849	0.3
191.05591	5.6
229.08560	0.4
255.06479	0.3
300.02927	0.2
313.16629	1.6
315.44540	0.2
330.43723	0.2
401.24335	0.3
418.25262	0.4
419.25388	1.1
445.20740	6.8
505.17145	11.7
505.31900	0.3
506.17142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49875	0.6
52.63605	0.6
57.03437	1.1
57.45129	0.7
58.23135	0.7
59.01374	27.5
59.52840	0.6
61.18184	0.7
70.60572	0.6
70.60999	0.7
71.01371	88.7
72.99318	0.9
73.02939	3.3
85.02915	6.4
87.00857	5.9
88.98802	4.5
89.02414	11.6
92.10735	1.4
93.03445	1.7
99.00840	2.6
101.02438	7.5
111.08118	0.9
112.56431	0.9
113.02440	4.1
114.93418	1.0
115.00355	100.0
115.25216	0.8
116.00805	1.0
119.03478	1.5
122.84258	0.8
126.59661	0.7
131.03474	1.3
135.04527	1.1
137.02379	0.8
149.04552	3.3
161.04572	1.1
163.16914	0.8
165.12843	13.6
182.47237	0.7
183.13867	22.1
191.05597	16.8
197.15553	1.3
207.13835	1.2
209.11769	1.0
225.14896	1.1
227.12891	23.2
251.12886	4.0
269.13864	1.0
271.02319	1.0
299.15033	1.0
300.02762	0.9
313.16693	1.7
329.02228	0.9
329.16098	7.0
331.24588	0.9
336.76337	0.8
389.18109	7.3
445.20676	9.1
461.24298	2.6
505.19214	36.0
506.19962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14845	0.3
59.01390	1.1
63.02412	0.6
65.00324	1.5
66.42354	0.4
71.01393	0.6
83.01398	0.9
85.02959	0.4
88.98815	0.9
89.02416	0.5
93.03473	1.0
96.96006	3.5
107.01381	3.6
108.02197	2.6
109.02960	6.6
121.02971	2.8
122.65520	0.5
123.04523	0.8
125.02454	1.1
133.02940	0.9
135.00894	1.8
135.04515	0.5
137.02429	1.8
142.70636	0.5
148.01675	2.6
149.02470	1.7
151.00357	11.8
151.04059	0.7
152.01390	0.4
159.04633	0.6
161.02435	2.7
163.00351	3.5
164.01097	2.1
174.03285	0.8
177.01897	3.3
178.99870	4.5
187.03918	1.7
191.05605	2.3
198.03281	0.6
199.03992	2.1
211.04010	1.0
215.03595	0.9
216.04411	0.5
225.80733	0.5
226.02692	5.4
227.03453	7.1
229.01335	0.5
229.05029	0.8
243.02956	26.2
244.03363	0.6
245.04579	0.8
254.02190	5.5
255.02977	31.9
256.03629	0.5
271.02478	94.5
272.03036	4.1
273.03925	0.7
283.02527	1.0
289.07312	1.0
296.14798	0.5
299.02060	0.9
300.02747	100.0
301.03506	29.9
463.08783	1.0
505.09888	64.2
506.10147	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	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05676	0.5
58.11299	0.6
58.30527	0.5
58.49918	0.5
59.01369	2.8
65.00324	1.0
83.01378	1.2
96.96008	0.7
107.01402	2.8
108.02168	3.1
109.02956	1.5
116.92808	2.8
121.02946	0.9
135.00877	1.1
148.01646	3.0
151.00356	7.9
163.00325	3.4
164.01149	1.3
178.99814	3.5
191.05659	1.0
198.03058	1.1
199.04056	0.9
211.03841	0.7
215.03546	1.3
226.02756	1.2
227.03458	5.3
243.02962	15.7
245.04431	1.1
253.07010	0.8
254.02176	3.1
255.02979	32.2
270.89709	0.8
271.02463	80.9
272.03049	3.1
299.01993	0.8
300.02728	100.0
301.03485	20.8
445.07620	4.8
505.09854	50.1
506.10123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0984
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.55734	0.4
64.12944	0.4
64.32711	0.4
65.00331	1.0
68.19292	0.5
73.28187	0.4
83.01397	0.7
96.15313	0.4
96.21304	0.4
107.01402	3.3
108.02189	2.6
109.02978	1.7
111.85957	0.5
119.01498	0.6
121.02944	1.1
123.84351	0.5
135.00844	0.7
146.54047	0.5
148.01672	3.3
151.00354	12.0
155.33600	0.5
163.00345	3.2
178.99849	3.1
183.04463	0.8
199.03996	0.9
201.05724	0.7
211.04016	1.0
215.03456	1.0
216.04245	0.8
226.02802	3.6
227.03526	5.0
243.02983	17.4
244.03464	0.5
245.04396	1.3
254.02306	2.9
255.02971	36.3
256.20569	0.5
271.02475	75.1
272.02997	3.7
283.02368	1.1
299.01907	2.7
300.02759	100.0
301.03485	29.5
463.08838	2.8
505.09897	60.3
506.09824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3383
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.85623	0.4
54.16189	0.4
55.48401	0.4
57.03446	0.6
59.01385	1.1
67.21188	0.4
71.05006	0.8
100.28766	0.5
106.68375	0.5
106.74326	0.5
127.54788	0.5
128.15941	0.4
158.69762	0.4
191.05598	0.8
212.39653	0.6
275.67731	0.6
322.18817	0.4
375.26849	0.7
391.29999	2.2
408.10147	0.5
409.31165	0.5
421.30914	0.7
435.29108	2.1
443.31424	1.9
455.31424	1.1
459.34888	2.2
485.32687	17.7
503.33707	100.0
504.34018	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	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66745	0.3
53.04554	0.3
55.81050	0.2
57.25165	0.3
59.01367	0.6
61.98823	100.0
80.84100	0.3
159.77475	0.3
191.05539	0.4
206.33054	0.4
342.52289	0.3
365.98175	0.3
387.29440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.17234	0.3
52.77975	0.3
57.03439	0.5
58.00591	0.4
59.01374	33.8
65.49935	0.3
65.79252	0.3
67.01894	0.3
71.01369	6.3
73.02928	3.6
76.56432	0.4
81.03470	0.5
82.20627	0.3
83.01384	0.6
84.95116	0.7
85.02952	2.2
87.00887	0.7
87.04492	0.4
89.02428	4.0
93.03457	2.2
96.96030	0.4
101.02432	4.8
102.14632	0.4
113.02419	3.5
119.03471	1.8
123.04541	1.6
125.02431	0.5
132.11029	0.3
134.07378	0.4
137.02437	3.9
144.53154	0.4
161.04556	0.8
165.12801	0.5
173.04494	0.7
183.13895	0.8
191.05583	2.6
201.11452	0.3
220.21500	0.3
227.12836	0.5
255.19659	1.5
261.18549	4.6
265.81317	0.4
305.17560	4.1
329.23404	0.8
399.23825	2.2
417.24832	3.9
503.33853	100.0
504.34305	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63142	0.2
54.02197	0.1
57.03450	0.4
59.01372	3.4
61.98821	0.2
71.01028	0.2
71.01375	1.2
71.05016	0.4
71.29701	0.2
72.80130	0.2
73.02937	1.0
83.05013	0.3
85.02944	1.7
87.00871	0.3
89.02443	0.4
93.03445	1.5
96.95979	0.3
101.02419	0.5
109.02934	1.0
111.04515	0.2
131.03499	0.4
133.87999	0.2
135.04491	0.2
137.02454	0.3
153.01958	0.5
154.79980	0.2
165.12813	0.3
172.05290	0.2
173.04488	0.3
183.13890	0.5
185.60550	0.2
191.05624	6.8
192.05981	0.2
199.03966	0.4
200.04716	0.4
209.11905	0.8
227.03543	0.4
227.12863	0.3
281.10367	0.2
293.08911	0.4
325.51920	0.2
353.13416	0.2
395.29150	0.3
425.30377	0.3
439.32089	0.9
503.33786	100.0
504.21329	0.4
504.34048	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	503.3377
Annotation	Yardenone A
Peak:m/z	Relative Intensity
51.28000	0.5
57.03448	1.0
59.01376	17.0
61.98824	25.0
61.99133	1.0
62.22383	0.6
63.92959	0.6
63.99258	5.5
66.34619	0.6
67.01889	0.6
71.01371	5.2
71.05013	5.7
73.02936	1.6
74.26499	0.5
83.05040	1.2
84.43798	0.6
85.02947	10.3
87.00866	2.5
89.02464	1.1
92.63412	0.7
93.03441	5.6
101.02436	2.6
109.02954	0.8
109.06581	1.5
111.04526	1.6
113.02471	1.5
121.02984	1.1
127.03990	0.9
133.03038	1.0
135.04564	1.5
173.04568	1.1
174.03210	0.9
191.05606	53.6
192.05928	1.3
199.04051	1.4
200.04709	0.7
207.10387	3.0
209.11969	1.1
210.53154	0.6
211.13503	1.0
225.11369	1.1
227.03397	1.4
228.04369	0.6
243.06624	1.5
266.58234	0.7
272.09747	0.9
281.10190	1.0
283.13406	1.1
309.14957	4.8
311.12766	0.8
325.14435	1.0
351.27252	0.9
353.14063	1.4
369.27884	4.7
371.15118	0.9
389.27097	1.0
395.29846	0.8
399.15024	1.4
413.30792	3.1
429.33746	1.2
439.32355	13.7
441.34229	1.0
455.31592	15.0
465.21716	2.6
485.32864	4.2
494.70612	0.8
503.33990	100.0
504.34247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
67.24055	0.2
69.03460	0.3
72.99280	0.5
84.05033	0.3
103.52589	0.3
121.70276	0.3
148.58609	0.3
188.98285	0.3
191.05612	0.4
272.73907	0.3
358.35074	0.3
389.28592	1.1
406.28577	1.3
407.29691	0.5
421.30984	1.2
423.32681	2.8
427.32346	0.7
429.33728	1.3
439.32544	0.6
440.99960	0.4
441.33215	0.5
457.33228	19.8
459.34665	1.2
467.31961	1.3
469.33197	24.0
470.33524	1.4
485.32623	1.2
503.33771	100.0
504.33945	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	503.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62665	0.3
55.30287	0.4
59.01391	0.5
59.59539	0.4
61.56613	0.4
61.98800	0.4
62.22356	0.3
72.99300	0.4
75.50389	0.4
109.37739	0.4
117.67365	0.4
149.34772	0.4
149.48463	0.4
151.20110	0.4
278.31372	0.4
398.30771	0.4
409.30667	0.4
413.30597	0.7
423.32684	0.5
429.33548	1.8
439.32309	0.8
457.33218	20.1
459.34912	2.5
485.32727	0.8
503.33780	100.0
504.34265	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03458	0.5
59.01383	34.8
60.99339	0.3
67.01900	0.4
69.03461	0.4
71.01378	6.3
73.02948	3.0
83.01410	1.3
83.05058	0.3
84.95123	0.4
84.99783	0.2
85.02959	2.6
87.00892	0.4
87.04514	0.5
89.02442	4.0
92.10817	1.4
93.03449	2.9
95.01437	0.4
96.96002	0.4
98.86827	0.2
99.00833	0.4
101.02431	4.8
113.02431	3.6
114.24835	0.3
118.62626	0.3
119.03482	1.1
123.04563	0.5
123.08153	0.6
125.02376	0.5
133.06596	0.6
134.07397	1.2
137.02434	4.5
143.03554	0.3
149.09729	0.4
161.04549	1.6
173.04527	0.6
183.13924	0.6
191.05617	2.1
217.15971	0.3
227.12904	1.2
255.19661	0.5
261.18643	5.2
305.17581	6.5
329.23117	0.4
399.23938	2.6
417.24841	5.1
441.30026	0.6
449.14496	0.6
459.26541	0.4
459.34167	0.3
503.33899	100.0
504.34109	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	503.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.98514	0.3
71.05001	2.3
73.02946	0.4
73.39977	0.3
74.55782	0.3
78.13644	0.2
83.05018	0.3
87.98231	0.3
91.17715	0.3
92.10139	0.7
93.03447	0.4
123.08020	0.3
143.69305	0.3
148.97527	0.3
181.01079	0.3
191.05605	1.1
280.21423	0.4
343.38123	0.4
373.28989	0.6
377.28397	0.6
393.31638	1.7
396.15311	0.4
401.28275	0.4
407.29349	0.4
419.29559	0.7
421.31046	1.8
423.33005	2.7
425.34634	2.4
437.30804	0.5
439.32098	0.7
443.31616	1.8
453.30219	0.5
459.34705	0.7
469.33524	0.7
485.32755	20.5
486.33054	0.5
503.33801	100.0
504.34128	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81725	0.2
55.19051	0.2
55.86344	0.3
71.05011	0.3
74.44176	0.3
114.23550	0.3
128.89365	0.3
136.45807	0.3
161.73296	0.3
359.27420	0.4
377.28421	0.4
379.30173	1.2
391.30209	0.6
393.31622	0.4
401.28546	1.2
407.29541	2.3
409.31329	4.3
417.27390	0.5
419.29489	0.5
421.31110	4.3
425.30429	1.2
439.32520	0.7
441.33664	7.4
453.30157	1.4
457.33221	5.0
471.51944	0.3
473.32724	2.2
485.32721	7.0
503.33771	100.0
504.34055	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	503.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12371	0.6
57.95856	0.6
58.76076	0.7
59.01365	1.0
61.30070	0.7
62.01833	0.6
65.27724	0.7
83.05019	0.7
93.03539	0.8
105.31348	0.7
133.02850	0.9
191.05582	1.7
311.19476	0.8
352.45932	0.8
357.25858	1.2
359.27594	0.9
389.28476	1.1
391.30109	1.0
406.28766	1.3
407.29544	3.8
419.35733	0.9
423.32629	1.3
425.30695	1.3
439.32516	0.8
441.33514	1.1
451.86499	0.8
457.33240	4.0
485.32413	3.4
503.33746	100.0
504.33588	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82220	0.5
59.01379	3.0
70.68608	0.5
91.20027	0.5
93.03466	0.7
118.70614	0.6
133.02959	1.0
134.97363	0.6
191.05540	1.1
207.12001	0.7
219.51373	0.6
227.69516	0.6
238.60069	0.7
239.15848	0.7
314.74237	0.7
399.80505	0.6
409.31107	1.2
421.31052	2.6
429.33655	2.5
439.83835	0.7
441.33853	6.2
459.35013	1.4
473.32703	85.1
474.32864	2.5
485.32886	3.3
503.33795	100.0
504.34079	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	503.3375
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.61975	0.4
62.11243	0.3
71.05023	3.3
72.99271	0.4
80.32360	0.4
83.05013	0.4
92.62792	0.4
125.09717	1.2
199.49855	0.3
321.69000	0.4
397.31201	0.6
409.37927	0.4
410.90695	0.4
413.34506	3.4
457.33197	10.0
459.34958	1.8
485.32782	1.9
503.33792	100.0
504.34088	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	503.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44333	0.2
51.07718	0.2
54.21985	0.2
55.01869	2.0
57.03443	1.1
58.00590	0.3
59.01374	100.0
69.03461	0.2
71.01369	15.8
72.99298	0.5
73.02928	5.2
74.98125	0.2
83.01368	2.4
84.02108	0.2
85.02938	7.3
87.00878	0.8
87.04501	1.1
89.02425	8.0
93.03424	0.3
95.01366	1.4
97.02915	0.3
99.00859	1.5
101.02419	11.2
101.06070	1.8
113.02438	6.4
119.03458	2.4
125.02435	0.2
143.03481	0.5
159.02972	0.4
161.04523	2.8
179.05585	0.9
187.75443	0.2
255.19698	0.3
297.20657	0.9
381.23236	0.2
399.23895	9.7
417.24963	13.2
459.26321	1.7
503.33847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35167	0.3
52.96721	0.3
55.01875	2.6
57.03431	0.8
58.00591	0.4
59.01376	100.0
63.24616	0.4
68.89385	0.4
71.01371	17.9
71.01748	0.8
72.23499	0.4
72.45804	0.5
72.99290	0.6
73.02934	5.9
83.01382	2.7
85.02941	7.4
87.00882	0.8
87.04491	2.0
89.02429	7.8
92.10092	0.8
93.03452	0.9
95.01357	2.0
98.91969	0.4
99.00874	1.8
101.02424	11.4
101.06056	2.3
111.00834	0.4
113.02428	7.6
119.03467	2.5
137.02386	2.4
143.03548	0.8
146.33284	0.5
159.02921	0.8
161.04556	3.5
161.44568	0.5
255.19499	0.7
381.22836	4.5
399.23892	10.0
417.24927	15.0
459.26053	0.7
465.72574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29735	1.0
55.01886	10.4
55.02089	1.1
57.03435	6.7
59.01377	37.9
71.01373	45.0
72.99291	2.2
73.02932	17.6
76.67143	1.2
83.01368	13.9
85.02937	37.0
85.06564	1.8
85.99329	1.1
86.00072	1.9
87.00861	2.7
89.02416	1.9
92.10866	3.1
93.03456	1.4
94.34601	1.2
95.01387	2.5
97.02982	1.2
97.06555	1.4
98.36070	1.3
99.00861	7.1
101.02419	31.3
111.00908	3.5
113.02422	13.5
129.01973	1.4
130.12270	1.1
131.43703	1.1
132.93730	1.1
159.02966	1.8
161.04530	5.7
191.05602	22.2
193.86469	1.2
213.18590	2.2
242.36830	1.3
279.12598	1.3
293.24860	1.4
305.24847	1.7
341.27051	10.1
444.15042	1.3
467.30240	6.7
473.31454	2.3
503.32297	100.0
504.21301	1.7
504.32382	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64986	0.6
51.08265	0.6
54.15627	0.6
56.11460	0.8
58.00599	0.8
59.01374	1.7
59.40737	0.8
60.99292	1.2
61.85603	0.7
71.05023	6.4
73.02961	1.0
73.11454	0.7
77.58065	0.8
85.02949	1.4
93.03427	1.9
95.12452	0.8
191.05603	14.4
192.05939	1.2
211.13440	1.4
219.36157	0.9
227.03539	0.9
239.75769	0.9
265.72641	0.8
283.13190	1.2
351.27130	0.9
406.28616	1.2
409.31186	1.8
421.31366	2.1
423.32773	3.6
439.32220	5.8
441.33740	14.8
459.34201	1.3
467.31500	4.1
473.32718	5.7
485.32730	20.2
486.95413	1.3
503.33795	100.0
504.34164	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	503.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81729	0.3
55.66096	0.3
56.01824	0.3
59.01385	0.4
77.16492	0.3
78.95895	3.6
79.95729	1.3
85.02928	1.4
93.03438	0.4
96.95994	100.0
96.96889	7.3
121.02904	0.3
127.03989	0.4
133.02939	0.3
135.04509	1.4
141.33490	0.3
161.02422	0.6
179.03503	0.5
191.05580	8.0
203.54051	0.4
253.08669	0.6
292.08588	0.4
341.65735	0.3
408.84299	0.4
471.23712	0.4
502.75198	0.4
510.28394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27197	0.3
55.13223	0.3
57.76830	0.3
59.01371	0.4
78.95889	3.9
79.95731	1.5
85.02929	0.5
88.98768	0.5
89.72678	0.3
93.03428	0.5
96.95985	100.0
96.96870	5.8
124.31825	0.3
135.04443	0.6
144.04506	0.4
161.02376	1.6
191.05591	5.8
223.41698	0.4
253.08661	0.6
326.95187	0.4
503.13486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.1
57.27874	0.9
59.01385	12.1
61.98834	4.0
71.01370	1.4
87.00899	1.7
93.03433	7.0
96.96011	1.0
101.02464	1.3
109.02966	1.0
114.14548	0.9
121.06567	6.2
123.08138	25.7
133.02893	1.0
133.06578	6.0
134.07364	16.0
135.04465	2.2
135.08215	1.0
136.05363	1.1
148.05426	1.1
149.09753	2.3
166.06299	1.8
173.09727	9.1
189.12918	1.1
191.05653	3.9
197.02219	1.5
217.15959	9.4
221.42480	1.0
237.22778	1.1
245.15497	1.4
261.18567	100.0
262.19000	1.1
305.17581	70.6
306.18073	1.1
380.97583	1.0
467.15643	2.0
503.20499	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97499	0.3
55.01870	1.3
57.03455	1.2
58.00598	0.3
59.01375	100.0
59.22508	0.3
59.45576	0.3
71.01373	14.1
72.99315	0.6
73.02926	4.8
78.39056	0.3
83.01366	2.7
84.95087	0.5
85.02935	5.5
87.00845	0.7
87.04512	0.7
89.02427	7.7
93.03435	0.7
95.01357	0.7
97.02882	0.6
99.00822	0.7
101.02424	10.1
101.06078	1.5
113.02423	4.8
119.03483	1.7
125.02416	0.7
143.03458	1.4
153.64381	0.3
161.04555	3.3
205.93190	0.3
259.16769	0.4
381.22791	1.3
399.23883	6.0
407.68832	0.3
417.24911	14.6
459.25922	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	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.3
59.01385	0.3
60.99324	0.3
71.01347	0.4
71.05025	0.6
73.02941	0.5
84.84134	0.3
97.06561	1.9
99.71335	0.4
101.31026	0.3
102.27235	0.4
104.64651	0.4
109.67496	0.3
134.74940	0.3
153.09123	0.5
298.85654	0.4
359.54254	0.3
373.25278	0.5
387.30701	0.8
389.28696	3.8
405.31879	0.5
406.28638	4.7
407.29367	0.8
421.31119	5.2
423.32727	12.1
425.11874	0.5
439.32147	0.5
455.31769	0.6
457.33118	0.8
469.33209	100.0
470.33414	2.9
481.74356	0.3
501.31079	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	501.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33451	1.1
55.91847	1.1
59.01366	3.3
60.90262	1.1
71.04991	3.0
72.89616	1.2
73.02934	1.9
73.10006	1.4
84.65950	1.3
122.74116	1.7
138.85600	1.6
151.86929	1.6
166.17320	1.4
172.98869	1.7
191.05510	1.7
215.25519	1.3
215.27536	1.6
330.15936	1.4
403.29251	1.5
409.31177	2.6
423.28818	5.5
425.33810	1.4
439.31735	8.6
457.32693	8.1
467.31189	2.1
469.26987	1.6
469.33218	37.4
483.30289	7.7
501.31680	100.0
502.31946	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	503.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25598	0.1
59.01393	0.2
71.01368	0.3
73.64509	0.2
78.95892	4.7
79.95708	2.1
85.02955	0.8
87.00873	0.3
91.22106	0.2
93.03493	0.2
96.95996	100.0
96.96890	7.7
98.95639	0.2
109.02945	0.4
111.04471	0.2
115.00344	0.4
133.01402	0.9
133.02898	0.6
156.11568	0.2
173.04388	0.2
191.05612	4.5
380.08630	0.2
526.28149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51465	0.1
59.01367	0.3
60.44408	0.1
60.54129	0.1
69.37852	0.1
71.01391	0.1
78.95889	4.3
79.95721	1.5
80.04104	0.1
87.00881	0.1
92.10821	0.3
92.26944	0.1
92.64264	0.1
96.95996	100.0
96.96888	6.4
99.00864	0.2
109.44227	0.1
115.00363	0.8
121.02946	0.3
149.06042	0.8
151.76553	0.1
161.02382	0.6
177.01878	0.7
191.05562	0.8
212.75798	0.1
227.17520	0.1
233.04471	0.5
235.55225	0.2
237.04117	0.3
277.03326	0.7
337.05573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09101	0.3
59.01374	0.6
72.82053	0.5
83.05005	8.8
101.96241	0.5
159.34822	0.4
213.56100	0.5
259.38434	0.5
341.25027	0.6
353.24902	2.8
373.27502	2.1
382.45355	0.5
417.28143	0.6
419.29578	2.2
427.32141	2.0
429.30087	1.1
437.30453	0.6
451.28589	1.7
457.33231	2.4
471.31241	2.9
483.31183	24.1
489.31866	0.7
501.32227	100.0
502.32443	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	501.3219
Annotation	Dianic acid
Peak:m/z	Relative Intensity
50.66809	0.5
59.01379	21.6
71.01382	3.0
73.02934	1.1
79.99371	0.7
82.95394	9.4
85.02962	0.9
89.02431	1.1
93.03422	1.0
95.42690	0.6
96.96040	0.8
101.02418	2.3
109.02943	0.8
113.02400	2.3
123.04549	0.7
130.78943	0.6
135.04549	0.6
136.01561	0.7
137.02423	100.0
138.02774	2.7
145.02931	3.4
163.56143	0.6
179.90329	0.6
191.05533	5.8
202.99846	0.9
206.53018	0.6
341.06644	1.2
345.90268	0.7
347.08838	0.6
359.27789	0.9
373.25256	0.9
389.67337	0.7
411.29102	2.3
423.29190	1.1
425.30591	7.4
441.30621	0.9
457.33215	9.3
459.31183	3.8
465.11847	0.7
465.17725	3.3
466.18622	0.6
501.32254	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60630	0.2
79.36566	0.3
80.30870	0.3
95.81142	0.3
98.08349	0.3
174.91214	0.3
212.59099	0.3
236.63307	0.4
293.95135	0.3
455.35312	100.0
456.35574	2.2
504.29346	0.3
520.67578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66303	0.7
54.82483	0.7
56.13770	0.6
59.01367	1.2
71.05022	1.3
92.58798	0.7
116.06487	0.8
211.24037	1.0
264.39813	0.9
405.31448	2.0
407.33212	22.3
441.34009	1.4
455.35306	21.9
457.36877	1.2
483.34857	13.0
501.35889	100.0
502.36111	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	501.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
59.01384	4.9
63.44693	0.6
73.02975	0.6
87.00858	14.1
107.75018	0.6
141.79877	0.8
144.73418	0.7
222.84769	0.7
256.44797	0.7
359.27478	4.2
375.30670	4.7
407.29611	3.5
409.31207	7.2
413.30502	3.1
421.31158	9.9
423.32687	4.4
439.32227	1.2
455.31723	2.8
457.33264	11.7
467.31589	15.7
469.33224	100.0
470.33582	1.5
501.31400	38.1
502.32199	0.8
513.32123	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	501.323
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
50.29423	0.4
50.79622	0.3
51.54026	0.4
71.05017	2.6
76.55753	0.4
89.50468	0.4
109.47538	0.5
134.38118	0.4
140.30321	0.6
157.37433	0.5
173.38310	0.5
174.59373	0.5
177.40236	0.5
177.53882	0.5
183.23639	0.4
251.94730	0.6
379.30048	1.1
391.30002	2.5
393.28345	0.7
409.30963	2.5
441.30017	2.0
457.33325	0.7
471.31433	0.8
483.31216	14.3
501.32214	100.0
502.32501	2.5
516.26117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3219
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
52.53237	0.5
57.81112	0.5
59.01376	3.1
71.05010	10.9
96.48744	0.6
99.85808	0.6
133.45399	0.6
205.15933	2.6
207.17551	0.8
217.15909	0.8
219.17456	2.6
325.25290	3.7
327.26929	1.2
377.28348	1.2
393.31570	6.5
395.29620	5.7
406.10861	0.6
409.31470	0.8
411.32629	7.1
419.29422	0.7
421.31104	3.3
437.30762	1.1
439.32135	3.1
451.48206	0.6
455.31699	1.0
457.33240	100.0
458.33508	4.1
469.33438	1.2
483.31018	5.2
501.32233	70.5
502.32315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3223
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
57.90508	0.4
59.01384	1.0
61.76081	0.4
61.98824	0.5
71.05019	3.4
72.99295	0.6
82.73248	0.4
87.00867	0.7
88.72522	0.5
89.11583	0.4
103.35513	0.4
105.60135	0.5
120.14580	0.5
127.73893	0.4
327.27155	0.5
361.25354	0.9
373.27499	0.9
389.28467	3.0
391.30103	3.3
393.31558	0.7
409.31268	1.0
411.32504	0.6
413.30301	0.5
437.30734	0.9
439.32214	3.7
441.30112	2.3
457.33307	2.4
469.33188	0.7
483.31116	10.9
486.47110	0.5
501.32236	100.0
502.32611	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	501.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98405	0.5
56.01014	0.5
57.03441	0.7
59.01376	13.2
61.98822	1.2
64.37915	0.6
67.67937	0.6
69.14101	0.7
71.05025	2.8
83.05022	9.1
92.10843	1.4
101.02385	0.6
104.50149	0.6
119.57405	0.6
177.66736	0.8
191.05594	2.9
373.27472	2.7
417.28033	1.0
419.29599	1.6
421.31479	0.7
437.30334	0.7
438.75766	0.7
439.32352	3.4
453.30005	0.7
457.33374	3.1
465.30106	0.7
483.31052	23.5
501.32281	100.0
502.32501	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	501.3221
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.21075	0.3
54.81480	0.4
55.01887	0.4
59.01378	3.6
61.98836	2.7
61.99110	0.3
64.61988	0.4
65.90753	0.3
71.01369	0.4
83.05016	9.3
90.03683	0.3
125.08443	0.4
295.12140	0.4
305.22858	0.7
339.23132	0.4
354.31802	0.4
355.24530	0.6
387.27145	1.5
405.28067	2.8
417.27972	1.6
423.28790	0.4
429.29840	0.6
457.33511	0.9
471.31277	0.5
483.31149	17.8
484.31467	0.5
501.32248	100.0
502.32413	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	501.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
70.95126	0.5
71.05024	1.4
73.02924	0.9
78.62079	0.6
83.05026	3.4
92.10815	1.4
113.06025	0.7
126.77264	0.6
135.08228	0.6
153.09285	0.7
292.39502	0.6
332.19293	0.6
336.18564	0.6
373.27167	0.8
389.28506	0.9
391.29941	0.8
405.28067	0.9
406.28860	5.3
409.31125	0.7
419.29605	3.8
421.31238	4.8
423.29227	0.8
439.32193	4.8
453.30161	1.2
465.30261	3.5
471.31305	1.3
483.31183	25.7
501.32257	100.0
502.32486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51583	0.3
62.09260	0.4
66.76778	0.4
73.02956	0.6
76.87160	0.4
82.42986	0.4
127.12867	0.6
239.06152	0.5
363.26917	5.7
375.26898	0.9
377.28516	2.5
379.30023	10.3
391.30011	5.3
393.28024	1.0
407.29633	3.6
409.31155	30.3
423.28900	0.8
425.30817	3.9
427.32156	3.7
440.70868	0.6
441.29535	0.7
453.30109	11.3
455.31665	3.3
471.31192	3.9
483.30951	1.1
501.32251	100.0
502.32782	3.5
507.18704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
59.01373	100.0
71.01369	8.7
72.99315	0.4
73.02934	16.7
78.76567	0.3
83.01379	3.7
85.02949	2.1
89.02431	2.5
89.81191	0.4
100.99177	0.3
101.02418	14.0
101.03037	0.7
109.10126	0.3
113.02434	4.7
119.03465	1.5
131.03516	1.4
141.97697	0.4
143.03471	0.8
149.04524	1.8
161.04523	5.6
200.86922	0.4
221.06686	0.6
304.62201	0.4
381.22998	0.5
399.23853	1.7
405.27899	0.4
409.31073	1.6
437.30652	0.5
439.32321	2.2
441.24854	0.4
471.31186	0.6
501.32202	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	501.3222
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01364	0.7
67.00777	0.4
71.05014	3.3
83.21273	0.5
87.00851	0.8
92.10161	1.5
122.51473	0.4
369.31744	3.7
377.28357	0.6
378.41864	0.6
379.30072	0.9
380.23123	0.5
409.30859	0.8
411.32559	1.9
429.33716	13.8
430.33597	0.6
439.31946	0.6
441.30212	0.6
457.33334	4.9
463.20404	0.5
471.31052	3.7
473.32623	1.1
483.31195	9.5
499.65854	0.5
501.32117	100.0
502.32761	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60497	0.2
53.64476	0.2
54.62267	0.3
55.01886	0.3
57.82958	0.3
59.01375	14.3
61.98829	0.5
71.01369	5.0
73.02937	3.8
82.95405	25.1
83.01404	0.7
84.95113	1.2
85.02953	1.8
88.98808	0.4
89.02440	2.1
90.69907	0.3
93.03448	0.3
101.02432	3.5
113.02430	2.0
117.03426	1.3
119.05004	100.0
120.05318	0.4
120.99604	0.3
121.02929	1.8
125.02474	0.7
131.03494	0.3
132.02141	4.5
133.02925	7.1
134.03726	5.4
135.04491	4.8
145.02919	1.5
147.04483	0.4
149.06064	1.7
160.01640	21.9
161.02426	18.0
161.04561	1.1
162.03217	0.4
163.03989	32.0
170.81602	0.3
175.03984	19.2
177.05559	5.7
179.03513	3.0
183.13901	3.1
186.35478	0.3
189.46910	0.3
191.05554	2.5
193.05014	3.9
203.03329	0.3
221.04533	0.6
323.07736	12.3
337.09323	14.3
397.22192	0.4
463.21640	2.1
501.14096	14.0
502.14081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47040	0.2
59.01384	11.2
65.53828	0.3
71.01373	3.2
73.02949	0.8
81.03445	0.4
82.95420	2.3
83.01374	0.4
84.95129	0.3
85.02959	1.6
89.02435	1.6
93.03450	1.8
95.55032	0.3
101.02410	2.1
111.04539	0.4
113.02425	1.7
115.00340	0.4
117.03445	0.4
119.05008	100.0
120.05376	0.8
123.04500	0.7
125.02435	2.4
132.02138	7.3
133.02934	4.0
134.03748	5.7
135.04515	1.7
145.02817	0.5
149.02431	1.5
149.06070	0.8
151.00366	2.6
160.01643	31.5
161.02374	2.0
163.03996	59.6
167.03444	1.5
173.04535	0.7
175.03975	26.7
177.02106	0.3
177.05554	1.4
178.02681	0.5
179.03459	1.2
185.00711	0.3
191.05621	3.0
192.00699	1.5
193.01413	21.1
193.05026	4.1
194.01746	0.7
195.01805	0.4
215.44757	0.4
231.98412	0.4
285.03915	0.5
300.02832	0.5
301.03506	12.4
302.03806	0.5
303.04333	0.6
322.06686	0.3
323.07730	2.4
337.05273	0.7
337.09302	15.6
412.69849	0.4
463.08896	1.6
486.35800	0.4
501.13956	11.6
501.21158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
61.98820	0.8
63.79711	0.4
67.01882	2.1
71.01376	4.0
75.00826	0.8
83.05054	0.8
85.02940	12.7
87.00862	7.2
89.02417	0.5
92.63669	0.5
93.03443	18.3
96.19514	0.5
96.95992	3.9
98.06290	0.5
101.02485	0.6
108.02181	0.7
109.02943	2.2
111.04513	2.2
119.05013	7.6
123.04492	1.0
127.03999	3.3
131.04993	1.0
133.02966	1.0
134.03719	1.1
137.02499	0.6
143.05011	5.3
145.06703	0.6
149.05991	0.9
151.07681	0.8
152.01154	2.1
153.08826	0.7
155.03554	0.6
163.03978	3.1
167.03438	2.5
173.04532	5.6
178.02631	0.7
191.05609	100.0
192.05957	2.0
193.05008	2.3
195.06549	0.6
211.07590	2.0
217.12354	0.6
223.07672	2.3
234.62587	0.5
235.07790	0.8
237.09201	2.6
265.08728	7.4
279.12421	1.1
289.11685	0.5
309.07718	3.3
327.08722	18.4
337.09540	0.7
463.22131	0.6
501.14084	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	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43292	0.4
52.96673	0.4
53.14022	0.3
57.03432	0.6
59.01381	2.9
60.99302	1.1
63.36354	0.4
67.01884	5.3
69.03477	0.8
71.01374	4.3
72.99306	0.6
73.02924	0.6
80.35254	0.5
81.03451	0.9
83.01378	0.7
83.05059	0.5
85.02940	11.8
85.03418	0.6
87.00868	7.4
89.02450	0.7
93.03440	34.8
96.95987	8.2
98.95591	2.7
99.00852	0.8
99.04515	0.5
101.02444	1.1
109.02961	1.0
109.44967	0.5
111.04509	5.6
119.05011	36.6
120.83101	0.4
123.04506	0.6
125.02444	0.7
127.03982	2.4
129.01918	0.5
131.72632	0.5
137.02403	0.7
145.02959	0.9
155.03493	1.0
163.03995	12.0
167.03488	2.3
173.04530	12.0
189.41484	0.4
191.05606	100.0
192.06026	0.9
223.07588	1.8
237.09192	0.8
244.13484	0.4
327.08762	1.9
337.09232	5.3
339.05093	0.5
374.48755	0.4
386.83258	0.5
441.19431	3.5
457.15109	3.8
501.14044	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.67897	0.3
59.01374	6.1
60.99299	0.3
63.12133	0.3
65.63935	0.4
67.01884	3.3
69.03452	0.9
71.01373	3.7
73.02937	0.4
81.03407	0.8
82.95417	5.8
83.05029	0.9
85.02937	12.0
87.00860	6.7
89.02423	0.9
91.11397	0.4
93.03437	26.8
95.20905	0.4
96.95988	0.8
99.00916	0.4
99.04499	0.6
101.02422	0.6
106.04221	1.4
107.01388	0.6
108.02180	0.6
109.02934	3.0
111.04510	3.6
113.02477	0.8
119.03526	0.5
119.05030	0.9
121.02933	1.6
122.54577	0.4
125.02425	2.2
127.03987	4.2
129.01945	0.6
130.04218	0.6
131.05003	4.0
132.05833	1.5
133.02982	2.9
133.06549	0.9
135.04529	2.1
137.02431	2.2
139.03951	0.7
145.02953	1.6
145.06572	1.8
149.02402	0.5
151.00374	3.3
153.01891	0.6
155.03465	0.7
159.04442	0.8
163.00301	0.4
163.11403	0.5
171.02924	0.7
173.04539	9.2
177.01894	0.6
177.05559	8.1
178.99857	0.9
191.05605	100.0
192.05904	2.0
203.03511	16.1
203.12881	0.6
235.07584	0.5
237.09172	3.2
239.10767	3.9
243.03120	0.8
255.02924	2.7
265.08392	0.6
271.02466	5.2
283.09775	2.2
300.02750	7.3
301.03513	11.2
302.03510	0.4
303.04706	0.9
309.07745	3.0
327.08755	2.2
335.07578	0.4
339.05521	0.4
445.07773	8.1
447.08279	0.8
463.09012	0.8
463.22128	1.0
501.14063	11.3
501.20010	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	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15474	0.4
56.09385	0.4
58.02982	0.9
59.01381	2.1
60.38372	0.5
60.99326	0.5
67.01892	3.3
69.03452	0.7
71.01399	0.7
81.03447	2.0
83.05032	1.0
85.02935	13.8
87.00862	8.0
91.05502	1.1
92.10135	0.8
93.03439	33.9
96.96006	0.5
96.99312	2.5
99.04516	0.6
109.02943	0.8
111.04505	3.7
113.02480	0.7
116.30087	0.6
117.03464	0.6
119.05005	17.1
127.03991	3.9
131.05026	3.0
132.05878	0.7
132.92584	0.6
133.02950	1.1
133.64955	0.5
142.77954	0.5
143.05013	10.6
145.02925	1.2
147.04523	2.6
153.69128	0.6
155.03491	0.9
163.03961	7.8
164.07129	5.5
171.03050	0.6
171.04430	0.8
173.04526	9.5
191.05597	100.0
206.08217	6.2
211.07605	4.2
223.07492	0.8
235.07677	1.0
237.09187	6.6
239.10728	1.0
265.08649	14.8
283.09860	2.5
309.07715	3.0
327.08725	55.9
328.09015	0.9
501.14044	17.7
504.48715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40323	3.8
59.01368	39.0
71.01369	37.8
75.00880	4.8
83.01379	5.9
85.02956	26.2
87.00879	24.7
87.71423	3.8
89.02468	19.4
93.03468	20.2
96.96006	60.0
99.00900	7.4
101.02445	4.6
104.89555	3.8
113.02444	18.1
115.00382	18.8
116.92836	18.1
119.03497	3.9
119.05033	36.1
127.00339	4.9
133.02927	15.9
133.06598	4.5
134.29008	5.2
143.05095	7.1
145.02817	4.4
147.02963	7.9
147.04543	6.8
149.06110	30.7
150.64796	4.2
159.04539	6.8
161.06134	7.4
163.03989	20.5
175.02467	24.9
177.05568	34.0
185.06046	5.6
187.03976	8.3
189.05566	8.3
191.05600	100.0
191.07146	6.4
205.05060	69.3
217.05087	9.4
221.04486	37.2
239.58006	4.5
277.07150	18.1
321.06195	19.7
339.07358	4.8
501.12662	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	499.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80014	0.6
71.05012	3.3
72.85797	0.8
81.34676	0.9
96.01268	0.8
99.69756	0.8
140.47516	0.8
141.74541	0.8
179.64015	0.8
241.79816	0.8
364.29681	0.9
377.28534	1.3
407.29599	7.9
439.28299	1.4
451.28436	3.0
481.29489	10.1
499.30612	100.0
500.30975	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	499.3065
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
50.40499	0.4
59.01373	1.9
71.05019	4.1
72.71043	0.5
84.02160	0.6
87.00884	0.6
95.81793	0.6
103.08319	0.5
141.87651	0.5
152.61224	0.5
152.70262	0.5
235.03970	0.5
359.24057	0.6
361.28653	0.7
379.30203	0.5
389.28372	1.0
405.27881	0.9
407.29495	7.8
409.31070	3.0
437.30270	3.7
439.28278	1.0
450.58279	0.5
455.31842	1.2
481.29562	12.6
482.52228	0.6
499.30670	100.0
500.30869	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	499.3064
Annotation	24-Hydroxychiisanogenin
Peak:m/z	Relative Intensity
59.01376	24.3
59.01666	0.8
61.98819	7.9
63.20154	0.4
71.01392	2.7
73.02950	1.9
82.95399	0.6
85.02948	1.0
92.57108	0.5
96.96031	0.7
101.02435	1.1
105.37700	0.4
107.38107	0.4
113.02451	0.7
128.98155	0.5
175.11226	0.5
176.32994	0.5
191.05594	3.2
203.98544	0.6
258.57544	0.5
300.02859	0.8
333.22183	3.8
347.23730	2.4
349.25378	4.3
361.25333	1.0
363.27087	0.7
377.24777	0.7
379.26337	15.9
379.30853	0.9
389.28625	0.8
391.26071	1.0
393.28070	12.7
395.29590	9.2
407.29556	4.6
409.27557	8.2
423.29193	2.1
425.30649	100.0
426.30997	3.0
427.28604	4.8
439.28931	1.2
457.29562	1.0
499.30688	50.1
500.31387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14400	1.3
54.83921	1.4
55.13300	1.4
55.97479	1.5
58.18301	1.3
59.01378	100.0
61.98824	2.6
69.23818	1.7
92.10990	4.1
92.25437	1.6
108.46968	1.9
152.44078	1.6
161.60945	1.6
166.90265	1.7
255.02808	1.7
360.73962	1.7
499.30518	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	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69306	0.1
51.96284	0.1
59.01376	2.0
60.10482	0.1
61.98826	100.0
64.62502	0.2
71.01374	0.4
73.02945	0.2
73.50963	0.2
78.95902	0.2
85.02924	0.2
93.03439	0.7
115.92039	0.2
121.02902	0.2
122.44556	0.2
135.04489	0.2
174.58296	0.2
191.05522	1.7
209.11975	0.3
264.73392	0.2
440.24866	0.3
497.51819	0.2
500.31216	0.4
501.31979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88622	0.1
59.01373	2.1
61.01801	0.2
61.98824	100.0
66.85493	0.1
69.95188	0.1
71.01383	0.2
85.94132	0.1
102.94666	0.1
191.05576	0.2
196.54878	0.1
203.57350	0.1
212.51793	0.1
339.89355	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	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16373	0.2
57.90834	0.3
59.01382	100.0
59.87334	0.2
61.95133	0.3
66.67293	0.3
75.51316	0.3
90.97108	0.4
103.01124	0.3
112.20123	0.3
132.98204	2.1
157.03548	3.6
157.60103	0.3
159.01462	1.8
174.99219	28.5
180.99704	0.3
201.02548	33.3
202.02710	0.6
214.89766	0.4
217.00284	84.7
217.83856	0.3
218.00554	0.4
238.34819	0.3
296.21182	0.4
317.27008	0.4
343.03763	1.7
359.01474	42.4
360.01663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66904	0.4
55.01867	0.7
58.11548	0.4
69.47624	0.4
71.01372	0.4
73.02944	0.5
79.23229	0.5
83.05005	9.1
108.20359	0.4
175.11189	0.6
204.86253	0.4
209.41360	0.5
235.79683	0.4
275.80066	0.5
295.20633	1.0
311.23828	2.2
341.24817	9.8
361.25375	1.0
375.27036	0.9
377.28494	3.2
389.28473	1.7
405.28055	1.0
407.29642	4.9
409.27356	0.6
421.27481	2.5
425.30597	0.9
427.28409	0.8
439.28613	0.6
451.28568	27.9
452.28821	0.7
455.31714	2.1
469.29742	3.1
481.29678	11.5
499.30670	100.0
500.31113	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	499.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57707	0.3
56.92636	0.3
61.78590	0.3
64.14425	0.4
73.02929	0.5
75.17393	0.3
80.68230	0.4
83.05011	7.6
92.10244	0.5
97.91401	0.4
102.35287	0.4
108.51114	0.3
217.43953	0.4
295.20804	0.4
311.23871	1.4
341.24832	7.2
359.23837	0.4
361.25336	2.1
375.26788	1.4
377.28497	2.1
389.28714	0.8
391.26321	0.5
405.28003	0.6
407.29572	5.8
421.27686	1.7
427.28543	1.4
433.27740	0.7
451.28574	15.8
455.31717	1.7
469.29532	0.5
481.29593	17.7
499.30667	100.0
500.31302	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	499.3064
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
55.01878	0.8
60.17342	0.5
64.32998	0.6
69.29113	0.5
71.05035	0.8
72.42964	0.6
74.00552	0.6
75.93066	0.5
80.41180	0.5
83.05017	9.2
92.10139	1.0
101.06062	0.9
137.52718	0.6
214.32144	0.6
237.26990	0.7
251.25435	0.5
311.23755	0.7
323.23865	3.1
341.24884	3.8
377.28427	1.3
387.27011	0.8
389.28464	4.4
407.29611	4.0
427.28207	0.7
455.31696	2.6
469.29581	3.7
481.29556	19.4
499.30664	100.0
500.30887	2.5
510.60397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25946	0.3
53.70666	0.3
55.40034	0.3
59.01392	0.8
61.22350	0.3
67.77129	0.3
71.05014	3.5
83.05042	0.4
87.04520	2.6
88.55224	0.4
96.93097	0.4
314.47617	0.4
334.95578	0.4
376.27835	0.4
377.28403	0.5
407.29944	0.6
425.30325	0.4
437.30765	1.5
439.28531	2.7
455.31891	2.2
481.29599	13.5
499.30643	100.0
500.31061	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	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75946	0.4
59.01381	100.0
61.98829	6.8
64.36684	0.5
66.83348	0.5
71.01382	5.4
83.38777	0.6
84.95125	2.1
85.02944	1.0
87.00891	0.8
89.02432	3.9
93.03439	0.9
96.95989	9.8
96.96954	0.9
101.02447	3.0
113.02418	2.1
119.03442	1.1
135.04558	0.7
153.78860	0.7
166.39282	0.6
173.04514	0.7
179.05531	0.8
191.05592	3.9
278.81891	0.6
285.03928	0.7
305.23019	0.7
402.79114	0.6
498.39661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81612	0.3
55.01870	0.3
59.01374	100.0
61.60411	0.3
61.98817	3.3
65.71609	0.3
68.85775	0.3
71.01365	4.4
73.02932	0.6
83.01393	0.5
85.02929	2.7
89.02419	4.7
92.43517	0.3
93.03476	0.6
96.95967	1.9
99.00865	0.5
101.02422	3.3
113.02456	2.5
113.81328	0.4
119.03490	2.4
129.09171	0.4
129.54448	0.3
131.03401	0.4
136.00380	0.3
138.24222	0.3
143.03505	0.5
151.30101	0.4
161.04546	0.5
179.05539	2.1
191.05568	2.1
238.84798	0.3
313.06427	0.4
379.26392	0.4
390.52832	0.4
437.30276	0.4
439.26929	0.8
480.56049	0.4
499.30545	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35080	0.3
55.01900	0.4
57.03454	0.3
59.01384	100.0
61.82341	0.3
61.98831	2.4
71.01380	8.0
73.02937	0.8
73.25648	0.3
78.79636	0.3
80.18178	0.3
83.01376	0.5
83.05015	0.6
85.02940	3.0
85.87407	0.4
87.00887	0.6
87.04474	0.4
89.02430	7.7
92.10827	1.0
93.03432	0.5
94.23669	0.3
95.01321	0.4
99.00874	0.4
100.49214	0.4
101.02426	6.0
113.02447	3.7
119.03487	3.9
127.04139	0.3
143.03505	0.4
144.43776	0.4
149.04582	0.4
149.23695	0.3
161.04504	1.8
179.05638	3.2
191.05612	1.4
341.24881	1.2
379.21231	0.7
397.22385	2.9
439.27539	4.3
451.28461	3.6
481.29880	1.3
499.30707	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	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91173	0.6
55.01859	0.8
57.03440	1.8
59.01377	23.1
59.01670	1.0
61.16121	0.7
61.98839	1.3
65.00323	4.1
69.22712	0.7
71.01362	14.1
71.01678	0.7
73.02950	4.8
82.95397	10.2
83.01398	1.3
85.02927	8.2
87.00869	1.7
87.04522	1.5
89.00325	1.6
89.02428	10.3
91.01894	1.0
93.03472	3.3
93.25204	0.7
95.01389	1.7
97.02956	5.0
101.02433	7.7
109.02962	4.7
113.02444	7.4
119.03488	5.1
121.02975	1.3
121.69646	0.8
131.77840	0.8
133.02934	1.0
134.03674	1.4
135.04504	100.0
136.04820	1.6
137.02505	1.0
137.09709	3.5
143.03482	1.4
145.05063	1.5
145.74033	0.8
161.02437	1.4
161.04532	8.4
165.01915	46.5
173.04564	1.0
179.05576	4.5
191.05606	11.1
192.05977	0.9
217.15961	4.8
235.08173	3.0
235.13213	0.8
251.16541	6.4
273.18558	1.6
284.03345	1.8
284.17859	0.8
285.03867	0.9
299.05771	1.4
301.07150	44.0
395.20868	6.5
413.21896	3.9
427.28735	0.9
457.78516	0.9
463.12473	22.0
499.18164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1955
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
50.57547	2.4
53.10814	2.9
54.45238	2.4
59.01389	17.8
59.65904	2.7
61.98808	3.1
71.01366	23.4
73.02941	7.2
76.88760	2.6
85.02955	16.1
87.00849	4.2
89.02415	4.5
92.10781	4.5
93.03452	18.3
96.96003	6.2
99.00839	3.0
101.02440	5.8
104.81281	3.3
104.97234	2.7
113.02461	5.7
116.92854	3.7
122.80007	3.3
127.03999	3.4
134.03769	14.1
153.75061	3.1
161.04523	6.8
173.04509	16.6
175.03993	16.3
176.04723	6.2
191.05624	100.0
191.07115	7.4
193.05063	4.0
205.08745	5.4
235.06064	12.8
247.70341	3.6
265.07150	3.5
285.04086	3.8
295.08179	3.8
331.17599	4.1
335.19473	3.5
377.41211	3.6
463.08429	4.0
463.21860	71.9
499.12906	3.4
499.19382	95.5
521.31781	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	499.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.4
59.53180	0.5
61.98845	1.4
67.72423	0.5
69.99784	0.5
71.01396	3.8
71.21107	0.5
73.02948	1.1
80.91701	1.0
82.95410	9.3
83.01405	2.6
85.02956	2.4
85.66563	0.6
87.00840	0.8
89.02457	4.1
92.10869	0.7
93.03436	1.0
96.95989	0.6
101.02468	1.2
108.02162	5.7
109.02940	3.7
111.00876	5.1
113.02441	1.0
124.01627	2.2
125.02450	1.0
125.94660	0.6
134.03731	2.6
143.40157	0.6
144.74721	0.7
145.06551	1.9
149.99640	0.8
160.01680	0.8
161.02432	0.7
161.04567	0.8
165.12842	2.8
168.00626	0.9
168.03801	0.7
175.04022	1.2
176.04700	0.7
183.13885	100.0
185.11824	7.5
191.05652	8.5
191.07185	1.2
193.05006	1.4
209.11865	2.5
227.12889	3.2
230.55765	0.7
235.06120	3.4
251.12959	1.0
293.08890	1.2
301.16559	63.2
308.11230	0.7
446.00125	0.6
499.18649	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1821
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.72319	0.5
59.01381	3.4
61.78528	0.5
69.03447	4.9
81.03475	0.9
83.01376	1.2
85.02956	0.6
92.10108	2.5
93.03416	0.7
95.01376	2.8
97.02909	4.1
107.01385	2.2
109.02934	0.7
121.02931	0.7
121.22166	0.7
123.00854	11.4
123.04463	0.6
123.69514	0.6
124.01639	48.2
125.02420	65.7
133.37895	0.6
134.76501	0.6
137.02411	3.7
149.02388	0.9
149.99568	50.0
151.00360	7.5
151.04030	0.7
168.00623	83.3
169.01360	7.9
169.42621	0.7
183.13885	4.6
185.11772	3.8
191.05560	3.4
193.01462	0.6
228.30629	0.6
275.19913	0.6
278.19226	0.6
301.16483	3.3
313.05688	2.4
325.78793	0.6
391.78702	0.6
429.08771	0.6
499.18213	100.0
500.18762	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	499.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61448	0.3
59.01381	1.9
63.02406	0.6
65.00328	0.8
67.01898	0.7
71.01398	1.8
73.02938	0.5
80.75900	0.3
81.03429	0.5
83.01375	0.5
85.02935	9.2
87.00886	2.0
93.03432	7.9
99.04544	0.4
101.02406	0.4
107.01412	2.0
108.02145	0.7
109.02966	2.5
111.04517	1.6
121.02927	1.8
127.00364	2.2
127.04005	1.9
135.95018	0.3
145.02977	1.9
148.01686	1.6
151.00351	12.8
159.04446	0.5
163.00320	2.7
164.01103	0.5
169.01430	0.3
170.84380	0.4
173.04518	2.8
174.03186	0.4
178.99849	5.5
184.95880	0.3
187.04048	2.9
187.07635	0.6
191.05602	65.0
192.05904	0.5
199.04053	0.8
201.05473	0.4
202.06346	2.1
205.04964	0.4
211.03824	0.5
226.02736	1.7
227.03465	3.5
231.10396	0.4
241.34424	0.4
243.02959	10.6
244.03502	0.7
245.04474	1.5
254.02261	3.2
255.02974	25.8
256.03333	1.5
257.04675	0.5
271.02463	59.0
272.03009	4.7
273.04083	0.7
283.02365	0.9
285.04211	0.4
299.01996	1.3
300.02740	100.0
301.03482	36.7
302.03909	0.9
307.06317	0.7
325.07339	0.6
463.08820	71.0
463.21786	2.8
464.09186	4.2
481.16888	0.7
499.12344	2.6
499.19464	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	499.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10343	0.2
57.03445	0.3
59.01379	2.3
59.43352	0.2
60.99283	0.3
65.05394	0.2
67.01896	1.1
67.35421	0.2
69.03464	0.4
71.01379	1.7
73.02952	0.6
81.03429	0.3
83.05024	0.4
85.02941	11.4
87.00855	3.5
87.31203	0.2
91.13847	0.2
93.03439	9.2
95.01353	0.4
99.00901	0.3
99.04498	0.2
101.02438	0.5
108.02156	1.1
109.02937	2.9
111.04479	1.9
113.02441	0.6
117.60349	0.2
121.02906	0.3
127.03972	2.9
135.04442	0.5
137.02458	0.4
143.03528	0.3
147.04507	0.3
151.00346	1.0
152.01103	0.5
153.01910	0.6
155.03510	0.3
155.79755	0.2
161.02396	0.4
171.02992	0.4
172.05325	0.3
173.04539	4.3
174.03195	0.4
176.04758	0.4
178.13078	0.2
178.99794	0.3
187.03972	2.3
187.07591	1.0
191.05606	100.0
192.06000	0.6
193.01392	1.2
202.06404	3.7
205.08705	0.6
215.07269	0.2
226.02692	0.3
231.10361	0.3
239.07132	1.5
243.02989	0.6
255.02879	2.1
271.02490	5.0
272.03394	0.3
281.08270	0.6
285.03958	0.3
289.10980	1.0
300.02725	8.4
301.03467	4.2
307.11844	2.1
325.12964	0.3
429.76059	0.3
453.23306	0.3
463.08820	8.4
464.09079	0.3
481.17163	1.5
499.12222	0.4
499.18369	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03449	1.1
57.70537	0.9
59.01376	2.0
59.70543	0.9
60.99295	5.7
65.03951	0.9
66.73820	0.9
67.01876	14.5
67.04706	0.8
69.03442	2.3
69.32658	0.9
71.01366	5.0
76.01154	1.0
81.03461	4.2
83.05018	1.7
85.02943	7.0
87.00851	19.8
93.03437	86.4
96.95979	4.1
99.00832	1.4
99.04465	1.4
109.02917	1.8
111.04527	15.0
113.02431	1.7
119.04996	49.2
129.01942	1.3
145.02890	1.8
149.06056	1.9
155.03453	4.7
163.04004	32.6
173.04530	20.2
189.05452	1.0
191.05592	100.0
203.19917	1.0
207.06848	1.1
230.53070	1.1
265.39886	1.2
337.09320	10.2
499.14563	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
55.10970	1.2
55.81511	1.2
57.03453	7.9
59.01382	9.3
60.99316	3.1
62.92723	1.3
67.01887	16.2
68.25028	1.5
69.03447	3.4
71.01366	11.6
73.99059	1.5
81.03452	3.1
85.02954	6.2
87.00861	23.0
87.64881	1.3
88.98818	1.5
89.02446	6.1
93.03440	100.0
96.95994	34.9
99.00883	2.0
101.02421	8.2
111.00835	1.7
111.04536	12.4
113.02467	3.0
119.05015	28.3
127.04086	2.2
129.01877	2.7
135.04564	3.4
137.02458	2.1
149.06070	1.9
162.89371	2.0
163.03999	14.2
173.04536	34.6
179.05679	1.4
182.57465	1.4
191.05609	43.8
191.07230	1.5
283.64716	2.0
368.08978	1.5
372.42700	1.5
499.14615	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06322	0.2
57.20599	0.2
59.01377	2.0
60.70627	0.2
60.99313	0.4
67.01902	1.3
71.01396	1.2
73.02943	0.5
73.80888	0.2
81.03448	0.3
83.05045	1.0
85.02937	12.8
87.00856	3.3
93.03441	13.1
96.96010	0.5
99.00900	0.4
99.04519	0.7
109.02946	1.6
109.09547	0.3
111.04515	2.6
120.24623	0.3
123.21549	0.3
127.03994	3.4
134.46866	0.3
145.02914	2.0
159.04536	0.5
168.01718	0.3
171.02892	0.6
173.04515	5.8
176.04831	0.3
186.03252	2.6
187.03989	9.0
191.05602	100.0
192.05984	0.5
202.06392	0.5
205.08791	0.4
213.01933	1.2
214.02611	2.8
233.06221	0.3
235.07533	0.4
237.05519	0.6
239.06911	0.8
251.07394	0.4
253.08623	0.6
261.05618	1.1
263.07053	1.1
265.04993	3.5
279.06702	0.6
281.08118	0.7
299.64587	0.4
307.06110	12.2
325.07184	2.5
357.06131	0.4
481.17099	0.3
499.12372	14.4
499.18564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82534	0.1
59.01373	0.8
67.01915	0.1
70.84423	0.1
71.01377	0.5
71.04863	0.1
72.99317	0.5
77.86622	0.1
78.95887	2.1
79.95718	1.7
83.10689	0.1
85.02937	0.6
87.00856	0.3
89.02440	0.2
92.10798	0.5
93.03433	1.1
96.95989	100.0
96.96980	3.1
101.02409	0.2
102.33513	0.1
109.02938	0.3
111.00750	0.1
111.08137	0.5
113.41576	0.1
119.05020	0.1
125.02412	0.5
128.64229	0.1
135.04532	1.0
137.02434	0.2
141.98364	0.1
145.02914	0.3
153.21666	0.1
155.59868	0.1
163.03984	0.2
173.04517	0.6
173.08119	0.2
179.03496	0.2
191.05583	3.3
192.05827	0.1
193.01425	0.2
232.68625	0.1
235.68034	0.1
291.22699	0.1
291.97681	0.1
293.10236	0.2
499.19336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81942	0.2
54.74337	0.3
57.03442	1.5
57.55602	0.3
59.01371	3.8
60.99306	1.2
61.98819	0.3
65.12096	0.3
67.01878	7.0
67.02200	0.5
67.92446	0.3
69.03451	1.9
71.01366	3.4
73.02931	1.3
78.84663	0.3
81.03429	0.7
83.05018	1.4
83.94879	0.3
85.02933	11.0
85.03412	0.5
87.00853	10.8
93.03436	61.4
93.56381	0.3
99.00830	0.5
99.04527	0.5
99.99295	0.3
101.02425	0.6
105.62952	0.3
109.02920	1.8
111.04510	5.5
113.02460	0.6
127.04002	2.6
129.01880	0.5
135.04541	0.7
137.02505	0.4
143.03551	0.4
145.02939	18.7
146.03738	0.6
155.03485	1.9
159.04477	0.7
161.02405	0.6
161.04602	0.6
161.06056	1.9
171.36562	0.3
173.04517	10.5
185.02580	0.3
186.03223	1.8
187.03987	10.0
187.07541	0.5
191.05592	100.0
192.05885	1.4
202.06339	1.8
203.07516	0.3
205.05009	0.8
213.01947	1.2
214.02707	2.8
235.07526	0.7
237.05557	0.7
239.07126	2.1
253.08788	1.3
261.05557	0.5
263.07156	1.3
265.05109	3.7
279.06537	0.7
281.08185	1.7
283.06125	0.8
285.03989	2.8
307.06125	17.5
307.11511	0.9
325.07224	9.0
424.76236	0.3
439.21844	1.9
455.40796	0.4
481.17297	1.5
499.12436	36.7
500.12753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81694	2.1
57.03431	2.9
58.09449	2.1
59.01378	40.4
61.51440	2.0
65.12750	1.8
70.71709	1.9
71.01382	34.7
83.01387	10.2
85.02950	27.7
87.00869	23.3
89.02445	14.6
89.25652	2.2
92.10822	2.4
93.03445	3.2
96.95998	3.2
99.00862	14.3
101.02437	11.2
104.00504	1.9
109.02930	20.2
112.19363	2.0
113.02427	16.7
115.00359	65.5
119.03539	3.1
119.05029	4.6
121.06559	2.4
127.00404	9.1
129.26280	1.9
133.02943	24.6
135.04620	13.1
139.00314	2.8
145.02936	5.2
147.04521	10.8
148.05280	3.8
149.04988	3.1
149.06059	90.9
153.57198	2.0
159.04489	3.9
161.02420	100.0
161.06081	2.5
163.03995	9.2
171.04497	3.3
173.05951	3.0
174.03169	4.8
175.02451	76.7
175.03979	40.3
177.01938	21.0
179.03564	3.0
187.04001	18.6
188.04813	3.0
189.05533	17.1
190.02704	2.6
191.03510	3.3
191.05621	13.0
193.05028	14.6
203.03465	11.5
205.04988	3.6
206.02151	4.8
213.05684	4.2
215.03474	14.8
217.05170	3.0
219.02959	29.7
231.06549	2.2
233.04546	28.4
237.04041	31.0
245.04472	2.8
247.06120	2.8
275.05551	12.6
277.03540	21.0
293.06558	14.4
319.04712	11.6
328.13675	2.5
337.05478	92.0
455.12143	11.2
499.10904	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08498	2.8
57.03446	3.9
59.01375	38.9
71.01369	37.5
72.20600	2.3
72.99294	2.6
73.02922	3.9
83.01366	9.7
85.02930	22.4
87.00854	21.5
89.02436	14.7
92.10822	8.1
93.03443	3.1
99.00849	15.1
99.73447	2.4
101.02424	11.8
109.02946	24.6
113.02433	12.9
115.00336	63.0
119.03448	4.9
121.66805	2.4
127.00346	3.9
133.02931	20.0
135.04553	3.7
139.00391	3.8
145.02966	3.8
147.04504	10.6
148.05267	4.0
149.04910	4.9
149.06056	98.0
150.43205	3.1
159.04428	4.7
161.01137	4.8
161.02420	90.4
161.06078	4.2
163.04045	3.9
165.05551	4.0
174.03232	9.9
175.01022	4.7
175.02431	87.4
175.03975	36.8
177.01883	26.4
185.06133	2.6
187.04013	19.8
189.05556	13.7
191.03491	6.0
193.04985	11.1
203.03500	10.2
205.05006	4.1
206.02118	4.1
215.03494	5.2
219.02992	30.9
231.02846	3.0
233.04523	27.5
237.04007	39.5
275.05646	10.2
277.03491	18.5
293.06616	15.8
319.04453	3.3
335.07504	3.0
337.05389	100.0
341.41147	2.8
414.87717	2.9
455.11942	6.0
494.08807	2.9
499.10931	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40179	0.2
58.56800	0.2
59.01367	2.4
61.98823	100.0
62.85253	0.2
66.06609	0.2
71.01385	0.9
73.02933	0.5
75.24622	0.2
85.02957	0.5
89.02431	0.4
93.03447	0.4
93.20003	0.2
96.12976	0.2
96.95986	0.5
101.02422	0.4
135.04489	0.3
149.36214	0.2
154.11690	0.2
154.21819	0.2
191.05598	2.5
207.70561	0.2
215.60687	0.2
243.22284	0.2
306.19846	0.3
340.50510	0.2
393.65286	0.2
438.23853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78639	0.5
54.71508	0.4
54.81428	0.5
63.02399	0.4
63.27663	0.4
64.33050	0.5
65.00307	0.6
67.01905	0.5
67.52817	0.6
71.01373	0.8
72.81494	0.4
73.02968	0.5
76.65467	0.4
83.01369	0.6
83.60416	0.5
85.02961	2.8
87.00826	0.5
89.71972	0.4
93.03437	4.4
98.19493	0.4
101.02354	0.5
107.01375	3.8
108.02168	1.0
109.02943	2.7
111.04474	0.5
112.41602	0.4
121.02932	2.3
125.01669	0.4
127.03943	0.8
135.00815	0.5
145.02895	0.7
148.01651	2.0
149.02481	0.6
151.00345	11.0
163.00331	2.6
164.01025	0.5
169.01448	0.6
173.04501	1.1
178.99835	3.2
183.04572	0.6
183.65604	0.5
187.04024	2.1
187.07616	0.5
191.05598	42.2
199.03990	0.7
202.06314	0.6
211.04015	0.8
214.02599	0.6
226.02737	2.5
227.03520	2.8
229.04901	0.6
243.02997	11.0
245.04669	0.7
254.02333	2.2
255.02966	28.7
257.04443	0.7
271.02466	60.0
272.03058	2.6
283.02347	0.7
299.01938	0.9
300.02740	100.0
301.03494	34.0
463.08820	79.9
463.21988	2.8
464.09088	2.6
466.54123	0.5
499.19180	6.6
502.47000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2886
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.01378	58.3
60.24674	40.0
72.26752	49.5
78.55204	53.0
78.95917	49.2
83.64314	50.5
92.88029	54.7
114.02330	54.2
147.82333	56.3
191.05656	100.0
195.94785	52.3
415.12762	55.1
497.28958	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.45254	0.4
63.87469	0.4
74.12677	0.4
76.70783	0.5
118.59008	0.5
129.87138	0.5
150.20851	0.5
181.87968	0.7
255.29443	0.5
316.69269	0.5
331.80759	0.5
438.51367	0.6
456.07443	0.5
459.92389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.34233	0.5
65.19402	0.7
70.30260	0.6
70.30682	0.5
84.47022	0.6
84.61662	0.6
277.21527	1.0
387.53351	0.7
437.30621	5.3
508.73621	0.7
519.71368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87964	0.2
58.10190	0.2
59.01379	2.3
61.98826	100.0
69.03451	0.6
71.01363	1.4
81.03442	1.4
83.01395	0.4
85.02943	1.1
87.00861	0.5
92.10105	0.5
93.03442	2.5
94.03849	0.3
95.01424	0.3
97.02891	0.4
101.02414	0.4
103.45270	0.3
107.01413	0.4
108.02177	0.3
109.02929	1.4
113.02480	0.4
116.55385	0.3
119.05024	2.1
122.02958	0.3
122.03725	8.3
123.00887	1.0
123.04566	6.6
124.01665	3.9
124.04847	0.4
125.02446	11.0
125.14896	0.3
126.02741	2.3
133.07364	0.3
135.04486	1.3
149.02415	0.4
149.99573	5.3
151.00130	1.5
161.02370	0.4
161.04648	0.4
163.04004	0.6
167.03479	10.1
168.00618	7.8
168.03783	0.3
169.01024	2.9
173.04512	1.9
176.18074	0.3
179.03487	1.6
181.05069	0.4
182.05478	0.4
185.11823	6.4
186.12138	1.9
191.03940	0.4
191.05611	4.9
192.05920	0.4
193.01410	4.9
207.02406	0.3
245.63974	0.3
253.09846	1.1
262.86630	0.3
267.11411	0.5
268.12207	0.6
273.07657	10.3
274.08026	0.4
295.62933	0.3
300.02777	0.4
301.03607	3.1
337.09338	0.5
355.08630	0.3
366.22729	0.3
410.20483	0.4
423.88138	0.4
435.12970	1.5
436.18527	0.4
454.19791	1.3
497.15955	2.2
498.16840	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76339	0.5
54.96269	0.5
55.01873	8.1
57.03443	4.8
59.01374	60.1
61.98834	3.3
64.45795	0.4
69.03456	0.7
70.62890	0.5
71.01369	43.9
72.99308	1.0
73.02935	19.7
73.03322	0.8
79.25616	0.5
83.01377	14.0
83.01838	0.8
85.02937	28.9
86.00121	2.6
87.00877	3.3
87.03111	0.5
89.02426	7.6
92.10871	0.8
95.01382	3.5
97.02952	1.0
99.00851	9.6
101.02425	54.8
111.00900	1.0
113.02438	23.6
119.03496	1.0
125.02427	2.4
129.01909	1.1
138.99001	0.5
141.12830	0.7
142.45848	0.6
143.03465	2.4
159.02979	3.5
161.04532	10.6
167.03572	0.6
175.42133	0.6
191.05646	1.3
198.44698	0.5
213.15128	0.9
218.33963	0.6
305.19687	100.0
306.19931	1.0
307.81946	0.6
334.23904	0.6
368.46045	0.6
373.94406	0.5
437.23907	63.3
438.24423	1.0
506.95432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
56.10587	0.9
57.03457	4.8
58.00589	1.0
59.01376	71.9
60.42680	0.6
61.98825	19.6
67.01888	0.7
69.03445	1.2
71.01371	40.8
72.99302	1.6
73.02926	15.7
81.03452	4.3
83.01372	12.0
85.02939	26.2
87.00872	1.8
89.02431	19.5
92.10904	1.5
93.03439	3.6
95.01384	1.5
97.02927	1.1
99.00876	5.4
101.02422	42.7
105.53523	0.7
111.00883	1.5
113.02426	17.1
114.53661	0.8
115.03967	1.2
119.03446	1.2
123.04503	23.9
125.02450	6.3
131.03494	10.7
135.04575	0.9
143.03508	1.1
149.02505	0.9
149.04530	4.6
159.02971	1.3
161.04529	6.7
167.03471	47.3
191.03471	10.5
191.05568	16.7
209.04530	1.9
227.03445	1.1
305.19681	32.5
353.13602	1.3
436.99423	0.9
437.23917	100.0
497.20215	6.1
497.27847	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90214	0.3
59.01375	100.0
61.98839	1.0
71.01357	0.4
78.42791	0.5
81.41485	0.5
85.02944	0.5
93.03444	0.6
103.02589	0.4
103.92431	0.5
136.42345	0.4
149.45882	0.5
191.05637	3.7
240.41034	0.5
361.67841	0.5
432.08301	0.7
496.21368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1663
Annotation	Globulusin B
Peak:m/z	Relative Intensity
55.77102	0.4
69.03437	5.7
78.71997	0.5
79.79789	0.6
81.03459	2.2
83.01393	1.2
83.79459	0.7
95.01381	1.1
97.02944	4.7
100.33632	0.6
107.01394	2.9
108.67603	0.5
109.02972	0.8
113.82437	0.5
114.81815	0.5
123.00873	12.5
123.04490	0.6
124.01645	43.8
125.02425	83.1
126.02788	0.7
136.01593	0.7
137.02435	2.5
149.99573	55.6
151.00371	4.8
165.01904	0.8
167.03456	0.9
168.00623	87.1
169.01425	5.7
191.05653	0.8
193.01521	0.6
261.07724	2.7
313.05750	1.3
454.60364	0.7
497.16681	100.0
498.16977	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	497.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79433	2.3
56.46589	2.5
57.03467	2.8
59.01380	80.8
60.99311	3.0
61.98828	16.4
64.32788	2.3
67.01900	3.0
71.01373	27.3
73.02950	11.1
74.50478	2.4
78.92251	2.3
80.91676	6.2
83.01369	3.6
85.02953	12.9
87.00874	4.9
88.98811	5.3
89.02435	22.5
89.13715	2.6
93.03442	26.1
96.95992	47.5
99.00819	3.4
99.52424	2.9
101.02450	15.8
102.46094	2.5
108.02165	6.3
109.05908	3.2
109.06532	18.2
113.02459	11.4
123.04482	3.4
125.02412	4.3
127.07600	3.8
129.05568	27.4
133.02974	4.8
135.04494	5.5
137.02411	4.8
137.06055	4.7
148.05295	47.7
149.02420	3.6
150.03191	4.0
151.03932	4.1
161.02385	4.3
161.04538	4.1
163.07597	23.3
165.05536	27.3
173.04521	5.7
174.01881	3.6
177.01973	14.0
191.05576	64.1
192.05788	3.5
235.97470	2.4
281.09357	3.1
284.03284	51.4
285.03912	12.0
293.08688	3.1
296.11685	3.5
297.12152	3.9
299.05569	100.0
305.19525	10.0
325.49713	3.1
329.06573	6.3
371.54160	3.1
382.09076	3.3
421.19495	3.3
437.23730	5.9
461.11227	9.5
479.15771	24.1
497.21347	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10110	43.1
52.60532	45.2
54.49531	42.4
61.98834	91.8
92.10110	100.0
94.61190	54.1
102.33923	51.2
119.98185	51.8
164.86069	57.7
196.11940	61.5
229.72183	56.3
274.59412	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20724	5.4
52.86902	5.7
54.25893	6.1
59.01378	100.0
60.54963	6.8
69.21230	5.9
70.23196	6.7
80.79273	7.0
83.82924	7.2
100.43058	6.9
114.35739	7.3
125.10378	8.2
164.74045	8.1
171.98279	7.3
191.05579	11.3
221.70517	8.9
295.22867	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	495.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06610	18.8
51.44953	17.9
52.58681	18.4
59.01363	26.9
61.98816	100.0
63.88558	19.4
74.19659	21.7
82.04165	21.9
102.34251	25.6
104.42261	21.9
159.91568	23.5
191.05496	26.6
242.93068	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93470	71.3
58.67339	75.0
62.62900	71.8
63.50298	69.7
63.86725	72.0
72.01568	82.7
125.14147	92.3
194.11644	96.8
207.35760	83.6
246.27243	96.9
269.04459	92.0
283.12939	94.3
340.04492	100.0
349.33707	90.2
514.56378	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57856	28.7
55.65739	32.5
61.82013	28.5
63.97441	29.1
71.36165	30.2
79.67695	32.5
92.10227	100.0
110.44137	34.8
120.43551	32.9
127.68427	36.1
179.73357	41.9
301.81046	40.7
304.38385	49.5
324.59402	42.8
324.63669	35.3
397.90021	38.0
404.18399	38.1
406.06918	41.9
440.73532	38.9
443.85648	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08157	79.8
54.88733	80.8
58.73615	82.9
59.01391	97.4
61.98825	100.0
75.04560	96.7
119.58607	92.6
161.97044	90.4
180.63544	98.9
237.96132	91.3
306.62039	96.2
413.33704	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38077	19.4
56.87462	21.9
57.43742	18.9
59.01374	34.1
61.63776	25.1
61.98829	26.9
84.92928	27.0
88.01685	26.9
92.10161	100.0
111.08754	24.6
130.64490	22.4
140.18761	25.6
150.95633	23.9
179.74503	23.1
182.13150	23.2
187.62245	27.5
367.19565	28.0
519.42212	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03450	0.9
57.75931	0.5
58.00601	3.2
59.01381	100.0
59.68267	0.5
61.98827	1.9
69.03462	0.6
69.35439	0.5
71.01373	61.0
72.99306	2.3
73.02934	10.2
83.01392	2.6
84.02765	0.5
85.02937	11.9
87.00855	2.0
88.98799	3.6
89.02428	84.3
95.01350	1.9
97.02945	0.7
98.00451	0.5
99.00860	1.1
101.02422	31.3
113.02439	17.6
115.04070	0.6
118.25427	0.5
119.03464	15.8
125.02423	2.6
127.07093	0.5
131.02466	0.7
131.03471	17.0
143.03474	1.3
147.04536	0.9
149.04533	29.7
159.60910	0.6
159.96198	0.5
161.04526	3.8
161.90996	0.5
169.38568	0.5
179.05595	12.6
191.05547	9.4
238.36476	0.5
244.41621	0.6
273.20691	2.2
303.18033	6.0
313.16672	0.6
338.56461	0.5
435.22333	34.9
495.21869	1.0
508.05011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73010	74.2
58.20703	70.9
106.43658	81.5
116.89237	87.8
123.84225	80.6
146.49911	79.0
317.73752	83.3
509.66202	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	495.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09899	3.8
54.28768	4.1
54.92986	3.6
57.10036	4.0
58.98190	4.3
71.05029	5.4
96.26514	4.3
331.71503	5.4
395.29459	27.8
413.30597	100.0
495.30701	62.1
507.63925	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	495.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
66.57881	21.9
99.07076	24.9
100.64182	23.9
117.99299	26.5
121.82520	29.7
161.38631	29.6
184.32074	26.3
221.66293	24.8
409.64166	30.2
481.88226	29.7
495.33102	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
57.29602	0.5
59.01379	27.8
60.42324	0.5
61.98834	3.7
63.75502	0.5
67.39356	0.6
69.03461	0.9
71.01381	11.3
73.02947	0.9
81.03454	6.2
83.01398	4.4
85.02964	3.5
87.00900	0.7
89.02441	11.4
93.03447	2.6
95.01386	0.9
95.05019	1.5
96.96025	1.3
97.02888	0.7
101.02415	7.6
109.03020	0.8
113.02457	4.1
119.03499	3.4
123.04501	50.7
125.02426	5.8
135.04507	1.2
137.02441	1.1
139.03996	1.0
149.02393	0.8
151.00258	0.8
151.03995	0.9
151.89050	0.7
161.04630	0.7
163.03947	1.3
165.01863	1.0
166.02632	0.7
167.03479	100.0
175.00464	0.8
179.03491	0.9
179.05585	3.2
180.04324	1.0
181.05090	3.8
191.03482	19.6
191.05559	3.9
209.04543	8.0
212.03322	0.8
257.11932	2.5
279.19595	17.8
289.14417	1.5
333.13397	8.1
338.15253	0.7
356.24252	0.7
435.22366	2.9
459.26160	7.0
495.18677	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	495.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21717	0.4
59.01387	0.6
60.99299	15.4
61.31120	0.4
71.01380	0.7
73.02910	0.4
74.50270	0.3
75.66741	0.4
78.95890	1.7
81.94440	0.4
86.84964	0.3
88.53312	0.4
88.98787	100.0
89.02410	4.1
93.03435	0.5
101.02448	0.6
111.81734	0.4
113.02391	0.4
135.04460	0.7
138.97977	1.6
149.04523	0.5
191.05562	3.9
192.05666	0.5
348.80234	0.5
492.16544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95805	0.2
59.01373	4.0
61.98820	5.4
69.03452	0.2
71.01376	1.3
73.02921	0.2
74.99088	0.2
75.00885	0.2
78.91886	0.2
82.88256	0.2
82.95402	0.4
85.02946	1.1
87.04477	0.2
89.02441	0.4
92.14344	0.2
93.03443	1.3
101.02447	0.8
108.02172	0.9
109.02942	0.7
111.04505	0.7
113.02449	0.4
119.05019	0.3
120.18399	0.2
121.02975	0.7
122.03712	11.9
123.04482	0.4
124.01635	0.8
125.02470	0.2
127.40119	0.2
135.04524	0.7
135.09698	0.2
137.02377	2.2
137.06078	1.0
139.11377	0.3
147.04491	0.2
149.02457	0.2
154.02698	2.0
161.04553	0.3
165.05611	0.4
167.07111	100.0
168.07491	1.2
177.01965	0.7
183.10185	0.2
189.01935	1.0
191.05569	3.1
213.14990	1.5
236.42598	0.2
240.32625	0.3
253.09341	0.2
273.20734	1.1
311.11090	0.2
314.71326	0.2
341.06668	0.4
389.07861	0.2
407.83121	0.2
417.10257	0.2
423.02078	0.3
432.23083	0.3
435.22092	0.7
484.68320	0.2
495.22311	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	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92498	0.2
59.01366	1.6
63.95765	0.2
71.01368	0.4
78.25120	0.2
81.03450	0.3
85.02950	0.5
93.03494	0.3
94.53764	0.3
108.02161	41.0
123.04503	17.5
152.01141	74.3
158.12183	0.3
167.03485	100.0
168.03807	0.5
177.01938	0.3
191.05652	0.5
348.58383	0.2
495.19138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.2
59.01375	28.7
61.97032	1.1
61.98832	7.3
69.03451	11.1
71.01369	40.2
71.01738	1.7
71.05026	4.4
72.01728	1.3
72.97536	1.1
73.02938	7.8
75.00850	1.5
78.28173	1.3
78.91885	1.9
80.48102	1.0
81.03455	1.6
83.01395	4.9
83.05063	1.4
85.02942	21.1
87.00875	1.2
88.98813	1.1
89.02453	7.8
91.45626	1.1
93.03437	8.6
95.01395	4.3
96.96006	2.7
99.00875	4.6
99.04501	5.5
99.05106	1.2
99.76498	1.1
101.02435	19.0
108.02171	16.0
109.02957	21.9
111.08180	1.5
113.02454	16.2
120.99700	1.3
121.02933	2.1
122.03728	67.7
123.04513	100.0
125.02411	1.4
134.03694	1.8
135.04539	4.2
137.02435	12.8
139.11287	32.6
141.09245	1.2
143.03482	1.7
153.01909	2.1
161.02437	1.3
161.04521	18.6
183.10240	78.4
191.05585	22.6
193.05121	1.3
212.04518	1.2
243.06616	1.6
267.08878	1.3
273.04047	5.2
363.32257	1.2
370.09982	1.2
434.25116	1.4
435.25946	8.1
455.24460	1.2
495.18927	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02108	0.3
51.66680	0.3
52.45224	0.3
54.67921	0.4
57.03439	0.8
58.00578	0.4
59.01373	29.9
59.49337	0.4
60.01716	0.4
61.01815	0.4
61.98824	3.7
69.58820	0.4
71.01366	13.1
72.34985	0.3
72.99304	0.7
73.02956	0.4
80.05055	0.9
83.01380	0.6
85.02927	4.2
87.00857	0.6
89.02415	9.9
101.02419	6.0
102.73648	0.5
103.45872	0.4
104.05039	0.5
107.81281	0.4
108.04540	15.2
113.02433	4.9
119.03506	3.3
121.05309	0.9
122.06119	2.2
135.04543	4.9
136.07658	22.9
136.08670	0.9
138.05568	1.9
140.91734	0.5
141.61884	0.4
147.03262	3.1
148.04030	0.7
162.05602	6.6
166.05086	1.9
179.03445	2.2
184.11295	1.7
188.07158	0.6
191.05554	0.9
197.07150	0.8
198.07971	0.8
199.05107	0.6
209.11772	0.5
212.09613	0.7
212.89752	0.4
213.06656	3.0
217.07533	0.7
223.96645	0.4
227.08238	0.8
227.11858	0.9
228.08902	0.8
229.09778	1.0
237.06462	0.5
238.07423	2.7
241.06204	0.9
242.06967	2.3
243.11421	3.0
253.09845	4.9
254.10478	0.6
255.11403	0.8
256.08630	3.4
270.09995	2.1
271.10864	100.0
272.11243	2.2
299.05368	0.5
308.76785	0.5
327.05032	0.7
328.05533	3.7
395.04251	0.4
408.16614	0.6
432.10269	3.8
433.15707	0.6
435.25446	1.0
451.17175	1.0
495.16223	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80679	9.8
55.13384	9.9
56.09632	11.6
61.98802	11.9
67.51183	13.8
79.66559	10.5
187.38609	13.7
208.00536	13.3
238.93462	16.3
270.89789	13.4
279.23117	100.0
311.16885	53.7
385.65228	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	493.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	95.3
61.98849	100.0
62.52020	75.7
75.58818	95.0
76.56443	93.2
165.05336	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27686	0.2
54.54807	0.1
59.01376	3.2
60.01712	0.3
61.98825	100.0
64.39527	0.2
71.01374	0.3
73.02912	0.2
73.03329	0.2
78.14799	0.2
84.65718	0.1
85.02930	0.2
87.04506	0.3
109.33648	0.2
125.02413	0.3
136.32690	0.2
142.01826	0.2
159.28455	0.2
181.21446	0.2
191.05605	0.3
207.27460	0.2
241.25314	0.2
270.17877	0.6
272.18375	0.3
282.26740	0.2
287.19287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41186	0.5
55.01869	1.7
56.29474	0.6
56.30525	0.7
57.03448	3.0
58.00588	1.4
59.01375	100.0
63.82865	0.6
66.61128	0.7
71.01368	33.3
71.01742	1.6
72.99299	0.8
73.02941	4.3
75.00871	0.7
83.01388	3.5
85.02930	11.5
87.00886	0.8
87.04504	4.4
89.02432	31.4
89.02962	1.4
95.01373	1.5
99.00874	3.3
101.02426	20.6
113.02433	14.5
119.03484	11.5
119.70057	0.7
131.03510	0.8
143.03491	1.8
149.04564	0.7
151.14305	0.7
155.62718	0.9
161.04510	8.4
179.05592	7.6
271.19147	4.4
384.44116	0.8
415.23221	0.9
433.24387	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81828	20.0
59.01374	100.0
61.98822	83.9
75.20860	21.1
88.05505	21.3
98.36434	21.2
122.64148	22.3
262.14386	21.0
274.17673	24.2
327.75229	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73629	0.5
55.01898	2.5
55.51435	0.5
57.03458	3.8
58.00607	0.6
59.01379	100.0
61.98859	0.8
64.33073	0.7
71.01373	40.6
71.05038	0.6
72.99313	2.2
73.02939	9.1
75.00859	1.0
83.01377	5.2
85.02942	16.7
87.00876	1.2
87.04532	2.6
89.02431	16.7
91.70456	0.6
95.01376	2.9
99.00869	2.4
101.02428	26.1
111.08161	0.6
113.02438	18.5
119.03487	8.3
120.99639	1.1
125.02441	0.9
137.09753	1.3
149.73830	0.6
159.02969	1.1
161.04529	14.7
168.43404	0.8
179.05589	4.1
181.12355	1.5
183.13982	0.6
191.05666	0.9
199.13313	0.9
233.10355	1.2
245.48325	0.6
261.87921	0.6
271.19174	5.5
297.89404	0.6
333.84042	0.6
433.24411	65.0
434.24997	2.1
448.87491	0.6
466.98914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63867	0.1
59.01369	2.4
61.98812	0.2
63.11865	0.1
64.27859	0.1
71.01379	1.0
73.02937	0.3
75.00852	0.1
77.83250	0.2
85.02938	0.3
85.50374	0.1
89.02430	1.4
93.03448	0.3
101.02432	0.8
104.24665	0.1
107.83703	0.1
113.02443	0.5
119.05003	100.0
120.05341	0.6
136.65608	0.1
145.02908	0.2
147.04501	0.2
149.04536	0.3
160.91205	0.2
163.03990	54.0
164.04239	0.5
165.05540	0.2
185.11748	0.1
191.05566	0.5
225.98360	0.1
240.00366	0.1
245.07924	0.1
353.49014	0.2
447.22437	1.3
493.20779	1.5
497.39682	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	493.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
60.34975	0.2
61.98820	0.5
66.92602	0.3
68.83070	0.3
71.01373	1.6
73.02946	0.4
74.08640	0.2
74.99065	0.2
75.00865	3.7
77.23832	0.2
80.21936	0.2
83.09112	0.2
85.02934	0.4
89.02426	1.2
91.05505	0.4
93.03452	0.4
101.02432	0.5
101.03957	0.7
101.38247	0.3
103.05535	0.7
105.03409	0.3
109.02949	0.3
119.05006	12.7
120.05361	0.4
129.03444	17.3
130.04214	2.9
145.02940	1.1
146.03729	3.2
147.04510	92.2
148.04872	0.5
164.04320	0.3
165.05551	100.0
166.05898	1.0
173.02406	0.4
180.68822	0.3
191.05629	1.6
197.11856	0.5
206.42548	0.3
231.68890	0.3
307.82986	0.3
374.57486	0.4
447.22174	0.5
493.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83274	0.4
59.01380	3.0
68.59129	0.4
71.01378	1.1
75.00851	0.4
75.15775	0.4
89.02435	0.7
93.03442	0.6
108.02163	6.5
108.63608	0.5
127.41990	0.5
138.01956	100.0
138.05594	2.8
148.80943	0.4
177.17923	0.4
191.05568	3.4
216.54350	0.5
340.66031	0.5
394.92184	0.4
421.54434	0.5
424.99847	0.5
432.15482	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	493.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.01643	8.8
60.99322	6.4
64.65728	5.1
66.68505	4.4
71.01363	58.3
73.02936	8.2
75.21148	4.7
75.23543	5.5
79.53175	5.1
84.57727	4.4
85.02944	8.0
88.98776	82.4
89.02427	69.9
101.02443	12.8
109.02976	5.4
113.02464	7.1
119.03522	7.4
120.99630	7.5
125.02444	30.3
131.03494	7.3
139.03967	4.5
146.64548	4.9
148.05304	12.8
149.04579	9.1
191.05576	10.3
228.74796	6.7
233.06648	20.9
275.80640	5.4
293.08826	72.2
366.62225	6.1
433.24350	30.2
457.16830	8.5
493.15015	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	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
53.72137	0.5
55.01886	1.3
57.03449	3.1
58.00604	1.4
59.01379	47.1
61.98834	2.5
67.01900	1.0
69.03467	1.1
71.01371	13.9
72.99310	3.0
73.02934	8.3
75.00865	2.3
83.01368	4.0
85.02943	9.6
87.00880	2.9
87.04488	4.5
89.02443	3.8
89.26414	0.6
92.10812	1.0
92.63152	0.7
93.03442	8.6
95.01362	0.8
97.06607	0.7
99.00896	0.9
101.02431	9.4
109.06512	0.8
111.04540	1.0
113.02431	4.9
119.05015	3.8
125.02417	0.9
125.09714	4.3
127.11263	6.7
133.02930	0.6
134.03682	0.7
135.04523	2.8
137.09721	1.3
149.02612	0.6
155.10773	3.1
161.02444	0.8
161.04530	0.8
163.03987	0.8
163.11266	0.8
165.09183	2.8
171.10255	6.0
173.04547	6.3
191.05585	16.5
192.05972	2.7
199.03992	0.8
199.09795	1.2
201.11324	39.8
209.11772	0.6
227.03415	2.5
255.10182	1.2
256.10526	1.0
269.17557	19.3
293.21213	1.1
311.18872	0.7
311.22372	2.2
315.74405	0.7
317.17453	1.1
327.05020	2.8
327.21799	2.3
329.23386	8.6
431.09915	1.2
455.26373	1.0
473.27664	3.7
490.69672	3.7
491.28625	100.0
491.69730	1.2
492.28561	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	491.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33871	7.7
56.74606	6.6
59.01396	8.3
61.98831	6.7
63.96237	10.8
71.96612	7.1
90.35562	7.5
132.08742	9.1
133.06512	10.3
135.04523	12.0
347.18439	13.3
361.16718	37.8
362.17175	100.0
401.95056	8.7
421.43597	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	491.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
64.97196	0.5
69.43616	0.5
91.83445	0.5
126.83601	0.6
127.28148	0.6
140.24130	0.5
153.38658	0.5
154.36443	0.6
213.03178	0.6
237.83821	0.6
249.84187	0.7
269.69431	0.5
376.26138	0.6
459.48618	0.6
490.35367	1.1
491.35406	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	491.3738
Annotation	Sipholenol G
Peak:m/z	Relative Intensity
55.69979	0.9
57.03458	1.0
74.13065	0.8
80.60503	0.8
85.53779	0.8
99.08141	1.9
111.78542	0.9
113.09734	1.2
138.88687	0.9
143.10764	4.7
230.38155	1.1
343.26431	7.1
345.28094	7.8
368.22260	1.0
391.28564	1.5
427.35590	1.3
431.35471	1.5
491.37558	100.0
492.37943	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	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08397	0.6
55.01878	0.8
57.03447	8.7
59.01374	100.0
69.03451	0.7
71.01372	21.1
73.02927	23.1
76.69651	0.7
80.09342	0.7
83.01363	5.6
83.05035	0.9
85.02956	5.6
85.42690	0.7
88.98776	4.2
89.02420	7.6
95.01398	1.3
96.95979	1.6
101.02423	19.2
101.03036	1.1
112.05302	1.8
113.02433	11.5
119.03481	1.0
134.07352	4.8
135.04488	1.7
135.08150	1.2
137.09793	2.3
139.07637	3.1
143.03481	1.1
143.66257	0.8
149.09703	30.8
153.09192	17.2
161.04546	3.0
167.03488	1.1
167.10747	32.1
191.05629	6.0
209.11870	0.8
225.14908	3.5
243.15985	6.3
253.40581	0.7
336.75223	0.8
387.20282	9.7
405.21082	3.2
416.13333	0.8
431.14908	1.0
447.22418	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	491.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08575	0.4
55.01881	0.7
56.50732	0.5
57.03447	0.7
58.00571	0.9
59.01376	100.0
59.20449	0.5
61.98838	0.9
68.12554	0.5
71.01372	29.8
72.99310	3.5
73.02928	2.8
83.01378	1.2
85.02932	8.2
87.00867	3.1
87.04547	0.5
89.02431	36.0
93.03456	2.9
95.01365	1.2
96.95994	0.8
99.04518	3.0
99.92547	0.5
101.02432	16.2
103.30440	0.5
105.18177	0.6
109.02924	0.7
113.02419	11.4
116.92843	11.2
118.97718	0.4
119.03474	13.4
120.99659	1.2
123.04549	0.6
127.07581	0.6
131.03497	0.5
135.04497	2.5
143.03479	2.7
149.04581	0.9
161.02357	0.7
161.04556	3.6
179.05605	10.1
185.30893	0.5
187.03978	0.6
191.05598	13.6
207.13911	39.0
234.55580	0.6
251.12865	6.7
269.13910	0.7
311.14862	5.8
329.13834	0.8
387.20209	10.0
431.13498	1.3
431.18774	2.9
431.22894	4.0
453.23294	0.6
489.26083	0.6
491.21301	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34576	0.2
57.03437	2.8
59.01377	37.6
66.46495	0.2
67.36993	0.2
69.03421	0.3
71.01380	2.4
71.05005	1.4
72.02165	2.0
73.02946	1.0
75.00867	0.7
85.02953	2.4
87.04512	61.8
89.02433	1.3
92.10814	0.5
99.04515	3.4
101.02412	1.3
101.06023	0.3
113.02463	2.3
121.10160	0.3
123.04505	3.9
125.02393	2.5
125.09721	0.5
137.09698	1.1
161.04564	0.5
164.63007	0.3
179.33482	0.3
189.16411	0.4
191.05550	1.1
191.14301	0.4
207.17557	4.3
209.15488	1.4
269.17572	100.0
270.17853	1.4
293.17523	3.3
323.18616	0.4
335.18546	0.3
431.22299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Lurasidone
Peak:m/z	Relative Intensity
54.08943	0.6
54.36611	0.7
57.03437	3.3
58.00582	6.4
59.01374	47.4
61.98819	3.0
68.76826	0.7
69.03448	3.8
71.01363	27.6
71.05017	1.7
72.99297	4.9
73.02937	6.8
75.00871	1.6
78.19083	0.7
80.00423	0.8
82.95403	0.8
85.02946	4.2
87.00836	1.3
87.04503	19.0
88.98762	0.8
89.02421	9.2
93.03427	1.3
97.06626	1.0
99.00849	1.7
99.04483	0.8
99.08128	1.9
101.02427	10.4
107.24139	0.9
109.02911	1.0
111.08137	0.9
113.02436	3.4
113.09689	3.9
119.03493	3.5
123.08136	0.9
125.09695	1.1
129.09189	1.8
135.04399	2.6
137.13019	0.9
141.12811	1.0
149.04556	1.5
151.11232	3.9
153.09218	1.9
155.98465	0.9
162.73268	1.0
167.10748	7.2
169.12305	3.0
173.04471	1.0
179.03461	1.0
179.77457	0.8
181.12262	4.7
185.11804	88.5
191.05609	9.9
192.05901	1.5
199.13388	82.7
227.12869	41.4
227.15089	1.0
228.13522	0.9
239.12961	0.9
491.24884	100.0
492.24951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42896	0.2
59.01377	7.4
71.01376	1.1
76.56522	0.2
78.95900	1.4
79.95741	1.1
79.98079	0.2
85.02954	0.8
87.00863	0.4
89.02417	0.4
93.03464	0.8
96.96001	100.0
96.96992	3.7
101.02431	0.5
113.02444	0.3
135.04488	0.4
173.04581	0.3
191.05580	3.2
223.11678	0.3
233.49524	0.2
264.72025	0.2
271.62827	0.2
285.03903	1.5
314.75165	0.2
335.07266	0.2
348.33899	0.2
431.22699	0.3
448.68378	0.2
491.15103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71754	0.5
57.03458	0.4
59.01383	18.8
59.01670	0.8
60.99321	0.6
67.48605	0.5
67.67572	0.6
71.01379	6.1
73.02963	3.7
75.00874	5.4
85.02969	3.0
87.00883	1.5
88.98813	3.9
89.02448	3.6
93.03464	2.3
96.95991	0.8
100.08863	0.6
101.02430	2.9
109.02927	0.8
109.20165	0.5
110.34911	0.5
113.02430	1.1
119.05006	100.0
120.05321	0.7
125.02467	0.6
133.02930	0.9
135.04489	6.5
135.06155	0.6
137.02405	0.7
150.24176	0.6
157.19604	0.7
163.03996	58.9
173.04550	0.6
191.05600	13.2
269.17484	5.2
285.04169	0.8
390.48007	0.7
431.22794	1.2
491.28827	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	491.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04541	0.1
54.02224	0.1
58.43559	0.1
59.01381	4.0
71.01369	0.1
80.38847	0.1
85.02957	0.2
93.03466	0.7
114.37173	0.1
117.03506	0.2
119.05010	100.0
120.05350	1.2
120.92862	0.1
163.03993	49.7
164.04311	0.5
191.05544	0.7
491.19623	1.0
491.28775	0.2
496.55502	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55743	0.5
59.01378	13.7
60.99298	14.8
63.91875	0.7
67.01902	0.7
71.01379	4.7
72.70940	0.5
72.99271	0.6
73.02966	2.1
82.76517	0.7
82.83124	0.6
82.95493	0.6
83.01385	0.8
84.11377	0.5
84.20464	0.6
85.02950	5.3
87.00866	1.0
88.98789	100.0
89.02446	3.2
93.03438	3.7
96.95972	4.6
101.02416	1.6
107.05009	0.9
109.02933	3.2
113.02415	1.4
121.02960	0.9
121.71260	0.6
134.03694	0.7
135.04507	24.6
137.06053	1.0
149.06052	5.1
160.47354	0.7
161.02417	0.8
161.05989	1.5
171.04494	1.0
173.04515	2.4
177.05504	0.8
179.03477	4.0
189.05583	6.5
191.03687	1.0
191.05591	14.6
192.05965	1.6
207.06612	3.4
285.07535	1.0
292.89612	0.7
387.10767	1.0
387.20340	1.0
491.11282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42896	0.2
59.01377	7.4
71.01376	1.1
76.56522	0.2
78.95900	1.4
79.95741	1.1
79.98079	0.2
85.02954	0.8
87.00863	0.4
89.02417	0.4
93.03464	0.8
96.96001	100.0
96.96992	3.7
101.02431	0.5
113.02444	0.3
135.04488	0.4
173.04581	0.3
191.05580	3.2
223.11678	0.3
233.49524	0.2
264.72025	0.2
271.62827	0.2
285.03903	1.5
314.75165	0.2
335.07266	0.2
348.33899	0.2
431.22699	0.3
448.68378	0.2
491.15103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55743	0.5
59.01378	13.7
60.99298	14.8
63.91875	0.7
67.01902	0.7
71.01379	4.7
72.70940	0.5
72.99271	0.6
73.02966	2.1
82.76517	0.7
82.83124	0.6
82.95493	0.6
83.01385	0.8
84.11377	0.5
84.20464	0.6
85.02950	5.3
87.00866	1.0
88.98789	100.0
89.02446	3.2
93.03438	3.7
96.95972	4.6
101.02416	1.6
107.05009	0.9
109.02933	3.2
113.02415	1.4
121.02960	0.9
121.71260	0.6
134.03694	0.7
135.04507	24.6
137.06053	1.0
149.06052	5.1
160.47354	0.7
161.02417	0.8
161.05989	1.5
171.04494	1.0
173.04515	2.4
177.05504	0.8
179.03477	4.0
189.05583	6.5
191.03687	1.0
191.05591	14.6
192.05965	1.6
207.06612	3.4
285.07535	1.0
292.89612	0.7
387.10767	1.0
387.20340	1.0
491.11282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81502	0.6
59.01377	7.9
60.99301	12.3
61.98833	1.2
63.16645	0.6
69.23154	0.7
71.01376	3.5
72.78313	0.6
77.53278	0.7
81.03436	2.8
85.02944	3.3
88.98788	73.4
89.02465	0.9
89.90675	0.6
92.10789	1.0
93.03455	1.0
99.02232	0.7
101.02451	1.6
101.24744	0.7
108.02161	71.6
109.02937	100.0
113.02438	1.3
117.03418	0.9
121.02940	0.9
123.00833	1.7
132.02151	7.4
133.02957	5.8
134.03714	15.5
135.00874	1.3
135.04482	3.4
148.75821	0.9
149.06078	0.9
152.01138	72.3
153.01921	67.6
160.01640	37.7
161.02428	14.5
167.03452	1.2
175.02534	1.4
175.03983	27.1
179.03401	1.5
191.05556	3.1
193.05020	6.7
283.06094	3.0
311.05667	4.0
315.07254	25.6
323.07544	3.1
401.08685	3.9
431.23071	1.0
445.58282	0.7
491.11942	96.0
492.12344	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50755	0.2
51.77573	0.1
56.12938	0.1
59.01370	1.1
71.01393	0.2
72.72170	0.1
78.13213	0.2
81.03451	0.2
85.02941	6.7
87.00853	1.6
93.03442	2.5
99.04503	0.3
108.02121	0.2
109.02940	0.4
110.03934	0.2
111.04517	1.0
127.04012	1.9
133.02930	0.7
135.04514	0.9
137.02422	4.0
161.02426	1.9
161.77292	0.2
171.02997	0.4
173.04530	1.3
179.03496	0.3
179.57141	0.1
191.05608	100.0
192.05974	0.9
194.95520	0.2
353.08777	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	491.1195
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01370	11.2
59.72255	0.6
63.02394	1.1
65.00321	8.8
70.54868	0.6
71.01375	1.5
71.57309	0.6
75.00859	0.8
83.01391	5.1
85.02962	1.3
93.03473	0.6
93.89734	0.6
101.02424	1.0
103.10316	0.6
104.45695	0.7
105.80730	0.7
107.01373	22.2
109.02944	0.8
121.70941	0.7
125.02423	4.5
134.03773	0.8
135.04504	86.9
136.01630	0.8
151.00351	100.0
159.04565	0.9
161.02420	1.1
177.01961	1.2
191.05582	4.9
287.05597	43.9
288.05832	0.8
431.10406	0.9
431.23001	1.1
449.10596	1.0
491.12003	15.9
491.28839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3589
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.03465	0.9
59.01377	4.3
60.44909	0.5
60.99326	0.6
63.29156	0.5
65.19630	0.5
71.05033	3.6
71.34578	0.5
75.45588	0.5
78.25250	0.6
79.62939	0.6
85.02962	0.7
88.98787	2.5
120.94511	0.7
124.79373	0.6
167.87398	0.5
191.05695	2.2
257.35333	0.7
263.51041	0.7
429.33786	9.3
449.07877	0.7
471.30969	1.3
489.36084	100.0
490.36365	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
59.01374	9.5
60.99304	18.4
61.98833	0.9
69.00641	0.4
69.03440	0.5
71.01375	4.1
72.99311	0.4
73.02938	0.7
74.64632	0.4
81.03468	0.7
83.01387	0.5
85.02953	2.2
88.98788	100.0
89.02418	2.8
91.01896	0.4
93.03431	0.7
95.01389	0.6
99.00838	0.5
101.02425	1.9
102.46531	0.4
103.65743	0.5
108.01398	0.7
108.02158	38.8
109.02932	60.2
109.23513	0.4
113.02428	2.3
117.03413	1.6
119.03463	0.6
121.02960	0.7
123.00845	1.1
123.04533	0.6
125.02421	0.4
132.02136	5.4
132.11261	0.4
133.02924	2.7
134.03716	9.0
135.04546	3.0
137.02406	0.6
148.61487	0.4
151.03940	0.4
152.01134	42.0
153.01917	38.0
160.01633	24.2
160.02652	0.4
161.02426	9.6
161.04524	0.6
163.04030	0.7
175.03949	12.8
178.02713	0.5
179.03470	1.9
191.05540	2.6
193.05023	2.3
202.46019	0.4
217.25674	0.5
224.31563	0.4
227.03259	0.7
243.06586	0.5
254.67270	0.5
283.06155	4.4
284.02878	0.4
285.03815	0.7
311.05493	5.8
315.07181	15.5
337.09167	0.5
341.06424	1.0
381.29712	0.5
401.08566	4.6
431.23050	2.5
491.11935	52.7
492.12082	0.6
499.66278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3584
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
57.31239	0.6
60.99308	3.7
69.80793	0.7
105.16480	0.8
116.30324	1.0
167.92598	0.9
489.35873	100.0
490.36545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
50.59050	1.5
51.29964	1.6
56.17395	1.5
57.03463	14.7
60.08564	1.4
60.34815	1.5
61.30897	1.5
62.53356	1.9
62.56155	1.8
68.85197	1.9
73.07960	1.5
103.41296	1.6
125.09777	2.7
158.86165	2.1
191.32040	1.8
257.34308	2.4
299.23846	49.0
317.24869	4.1
318.96466	2.2
319.00873	1.8
343.26486	11.9
361.27856	2.5
427.36157	4.2
471.32990	2.5
489.35822	100.0
501.94147	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3585
Annotation	Armatinol B
Peak:m/z	Relative Intensity
52.94598	0.4
53.29961	0.5
53.65529	0.4
54.81918	0.5
57.03481	0.5
57.77703	0.4
59.01382	1.0
60.99348	0.9
61.98820	0.5
71.05012	4.0
78.89577	0.5
83.05043	0.5
85.06574	0.6
95.40745	0.6
96.95992	0.8
101.80452	0.5
109.47556	0.5
125.85973	0.5
135.04547	0.8
176.17976	0.5
191.05618	4.1
209.96643	0.6
216.34972	0.5
292.36533	0.5
295.81345	0.5
328.36838	0.5
381.31906	0.6
425.34372	7.7
427.36185	3.2
429.33707	8.3
457.34058	0.5
459.35037	4.6
471.27582	0.7
471.34933	1.0
489.36212	100.0
490.36371	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	489.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
56.52216	0.6
57.03446	1.6
58.00591	0.9
59.01377	62.1
59.39710	0.5
61.98846	0.7
62.04382	0.5
64.26316	0.6
71.01372	26.6
71.01749	1.2
71.05023	0.6
72.99302	3.8
73.02932	5.3
75.00877	1.0
82.95476	0.6
83.01378	2.5
85.02946	10.5
87.00887	3.0
87.04511	3.3
88.98811	2.7
89.02433	19.7
93.03453	2.2
95.01424	2.2
96.10741	0.6
96.96006	3.3
99.00836	0.9
99.04493	0.8
101.02422	14.5
101.03031	0.8
102.60404	0.6
103.03999	2.5
107.08648	1.3
109.02946	4.3
113.02438	9.4
115.03964	0.9
119.03471	5.8
119.05008	1.1
119.08644	0.8
123.97168	0.7
125.09682	3.2
127.11266	4.2
134.03728	1.4
135.04504	34.1
136.04805	0.7
137.02383	0.9
138.46786	0.6
151.00258	2.1
151.04004	27.4
155.10811	1.2
158.93723	0.7
161.02406	0.8
161.04492	1.1
165.09135	1.2
171.10249	6.3
175.03975	0.9
176.50713	0.7
183.10301	0.8
191.05586	12.0
199.09813	2.5
201.11324	37.3
221.15457	0.8
232.64484	0.7
267.16016	4.7
271.02441	1.1
281.10242	1.0
285.04095	1.2
300.02637	2.7
309.20807	2.5
313.09433	0.9
327.21777	1.2
404.48383	0.7
427.13989	0.8
471.26245	1.1
489.27112	100.0
490.27325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71978	0.6
54.40231	0.7
55.01886	1.5
55.70059	0.6
57.03445	1.2
58.00593	1.6
58.52521	0.6
59.01384	61.9
61.98830	1.6
71.01379	27.9
71.01749	1.4
71.05029	0.8
72.99306	3.0
73.02944	6.4
75.00863	3.0
75.10468	0.5
81.03421	0.7
83.01373	3.6
85.02934	8.1
87.00868	3.4
87.04508	2.8
88.98800	3.4
89.02439	18.0
93.03448	3.3
95.01360	1.3
96.95984	1.6
101.02424	14.5
103.04003	1.6
107.08646	2.7
109.02972	1.3
113.02419	7.3
115.04050	1.1
119.03469	4.7
119.05012	1.3
125.09682	3.2
127.11256	5.2
134.03693	0.8
135.04506	33.8
151.03987	13.9
153.22774	0.7
155.10805	1.5
161.02376	1.1
165.09167	1.2
171.10323	6.0
179.05664	0.7
191.05598	11.2
199.09648	0.8
201.11333	34.5
267.15976	4.2
281.10303	1.2
285.04025	1.5
291.19699	0.8
297.31332	0.9
309.20755	3.2
313.09219	0.9
327.21722	1.5
338.92615	0.7
427.13885	1.2
437.63489	0.8
489.27066	100.0
490.27487	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
58.99602	1.7
59.01376	45.0
59.27840	0.2
59.98511	0.5
61.98834	0.6
67.01868	0.3
69.03453	0.3
70.84252	0.2
71.01373	3.5
71.05013	2.7
72.99314	0.5
73.02943	1.1
76.23199	0.2
77.15979	0.2
81.03445	1.0
83.01382	0.3
83.05029	0.4
85.02928	2.4
85.06574	4.7
87.00871	1.5
87.04498	10.4
87.05012	0.4
88.98787	0.3
89.02442	2.5
93.03447	1.7
96.96008	0.6
97.02895	0.3
97.06568	0.3
98.03765	0.4
99.00828	0.3
99.04501	2.2
99.92625	0.3
101.02428	1.9
102.98579	6.7
109.02953	1.3
109.06622	0.3
109.21680	0.3
113.02414	1.8
116.92850	4.2
117.03405	0.3
119.03479	0.3
119.05036	0.5
119.08628	0.4
121.02894	0.4
121.06543	0.4
122.03709	0.3
123.04496	0.6
125.02460	0.4
133.02933	0.5
134.03737	1.1
135.04524	2.4
135.08134	0.4
136.01653	2.6
137.02420	0.4
137.06047	0.4
137.09695	1.0
139.07623	0.3
145.02979	2.0
151.00371	1.0
151.03993	3.0
151.11288	0.2
153.12798	0.5
160.01683	0.5
161.04556	0.5
161.09659	1.8
163.07559	0.4
167.03571	0.2
167.10767	0.6
168.37399	0.2
173.04434	0.3
175.03906	1.0
177.01770	0.4
179.10757	0.4
181.05037	1.6
189.01935	0.4
191.05573	5.4
192.05901	0.3
193.05142	0.3
224.14862	0.3
225.14882	1.0
237.18571	0.3
239.03445	0.3
249.06152	0.4
249.14983	0.5
251.16380	0.3
265.18005	0.5
267.16003	100.0
268.16379	2.0
283.04904	4.2
283.19095	2.0
285.04047	0.5
291.16269	0.4
293.08768	0.4
297.03781	0.4
307.08163	0.5
309.17056	1.1
327.21777	4.3
357.13556	1.2
374.28268	0.3
489.20026	0.5
489.27090	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.06516	3.3
61.98820	4.7
62.52896	3.0
64.30330	2.8
71.01368	26.5
72.99293	4.8
73.02930	7.6
82.95412	44.8
83.05022	3.3
83.41810	3.2
85.02925	17.1
87.00854	3.7
88.98849	3.2
89.02410	14.1
89.03374	3.0
93.03452	16.2
96.95987	6.2
101.02437	4.7
102.14786	3.8
109.02951	6.5
113.02419	6.7
116.92796	4.9
119.05002	5.1
123.04468	4.1
125.02396	6.0
133.02946	4.8
134.03703	4.7
135.04509	89.7
137.02425	4.9
145.02928	4.2
151.00305	8.2
151.03970	23.8
153.52675	3.7
159.06786	3.2
160.47969	3.0
165.01901	3.5
177.01906	5.8
185.48703	3.0
191.03915	4.6
191.05598	42.5
203.12450	3.4
217.01436	3.5
219.10347	3.8
249.11250	36.5
267.16028	33.3
275.16202	3.7
284.03238	7.9
285.04071	39.0
327.21548	6.9
338.75909	4.1
341.06430	6.9
392.07257	6.6
451.10303	6.3
489.10260	8.1
489.21500	5.8
489.27029	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	489.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98854	5.7
63.45476	5.7
65.43768	4.7
71.01388	29.9
73.02930	9.3
75.46508	6.7
81.51228	5.2
85.02962	13.2
89.02413	8.4
101.02410	9.7
102.16608	5.4
113.02447	6.1
114.38319	5.2
119.50475	5.3
127.84615	5.3
129.52254	4.8
135.04514	7.2
145.65047	5.1
147.04564	6.3
151.76001	5.4
153.01920	6.0
154.31107	4.9
155.07100	6.5
183.10225	13.0
191.05605	36.9
197.11818	20.2
225.11275	9.8
267.16016	39.3
327.21848	31.2
371.48532	8.3
375.58194	5.4
489.22430	94.4
508.56085	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	489.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00665	5.2
52.93033	4.9
59.01370	100.0
60.11623	5.8
66.97939	5.4
71.01379	33.1
78.07227	5.6
85.02946	13.1
88.98814	35.0
95.59549	6.6
101.02435	9.6
113.02444	10.6
119.68527	6.6
133.08745	7.4
182.05927	6.3
191.05560	27.9
228.11594	6.9
298.48123	6.9
309.20908	9.2
327.21667	9.9
367.17435	16.3
421.36682	8.4
489.22318	37.3
489.27414	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	489.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
60.99303	2.0
65.33956	2.2
71.01360	18.1
73.02940	2.7
85.02917	14.1
87.00833	3.0
88.98796	4.2
93.03426	7.4
101.02392	6.5
111.04527	2.2
113.02396	1.8
127.35864	2.1
141.04448	2.2
186.97331	2.0
191.05602	37.3
192.05984	2.2
211.13434	3.6
227.03392	4.0
229.14294	2.9
312.41284	1.9
340.15482	2.1
429.21231	2.9
447.22263	3.5
489.21637	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52134	1.3
60.97492	1.5
60.99310	13.2
76.78332	1.8
84.21551	1.9
97.06597	9.9
111.08163	6.5
127.82951	1.7
137.09694	7.6
154.56273	1.9
228.69937	1.9
324.63074	1.7
373.25281	3.2
389.28470	12.5
391.30276	13.8
393.28104	3.6
393.33203	1.8
405.31863	17.9
407.33368	43.7
409.30936	12.4
423.32779	67.0
425.34360	39.1
439.32269	9.3
441.33859	19.9
443.35376	10.2
469.33261	22.1
487.34390	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	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01378	7.5
67.09844	0.7
68.23235	0.7
84.92142	0.9
94.27195	0.8
114.30273	0.8
116.71270	0.7
191.05634	1.1
204.39696	0.8
243.19659	5.2
436.87073	0.9
441.33774	21.1
443.35214	4.7
445.13290	1.0
469.32883	1.1
487.34293	100.0
488.34564	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	487.379
Annotation	Docosyl-3,4-dihydroxy-trans-cinnamate
Peak:m/z	Relative Intensity
57.50386	0.5
66.04810	0.6
92.10225	0.6
116.68359	0.7
146.69608	0.7
168.29109	0.6
193.28333	0.6
193.69313	0.6
207.18828	0.7
241.55191	0.6
304.43515	0.6
315.23267	0.7
331.91916	0.7
341.24634	0.9
343.26407	20.0
345.27997	3.5
384.84018	0.7
393.31552	3.2
469.33096	4.3
487.38382	100.0
488.38388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01378	5.5
60.99302	2.3
66.23302	0.4
67.01884	7.8
69.03441	1.3
71.01369	4.0
76.55606	0.5
77.03958	1.2
79.38595	0.6
81.03463	2.2
83.05043	0.6
85.02927	5.2
87.00856	13.1
89.03958	0.9
91.05505	0.7
93.03438	49.3
95.05010	4.5
96.85069	0.5
96.95997	3.8
99.00918	0.7
105.03450	16.0
107.05000	6.5
109.02925	10.0
109.88097	0.6
111.04510	7.9
117.03385	0.9
120.12411	0.5
121.02914	0.5
123.04501	3.5
127.03977	1.1
129.01888	0.7
132.02177	0.8
133.02940	100.0
134.89444	2.4
135.04504	29.5
137.02428	4.2
149.02425	0.9
150.03276	3.7
151.03967	2.4
155.03474	1.3
161.02345	2.7
173.04521	30.3
177.01918	26.2
179.03487	8.5
191.05603	53.9
197.04356	0.6
207.02837	0.7
215.05611	32.4
275.06290	0.6
303.77228	0.5
307.08191	5.0
351.07214	59.5
352.07413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.0
59.01376	23.6
60.84583	1.3
65.92423	1.3
71.01371	100.0
72.99297	36.0
78.95905	2.4
81.84819	1.2
84.03428	1.3
85.02502	1.5
85.02952	10.8
87.00861	51.2
89.02419	14.8
92.63354	1.3
93.03481	2.6
96.96943	8.6
97.00562	1.5
101.02410	3.5
101.84753	1.7
102.13825	1.3
108.02108	2.0
109.02924	3.1
115.00358	42.2
119.03461	3.2
125.01165	1.5
129.01936	15.8
133.01419	39.2
147.02995	84.0
147.06569	2.7
153.01935	2.9
164.57578	1.4
173.04538	2.5
179.05661	3.6
185.14735	1.4
191.05576	22.7
278.87323	2.9
315.06915	1.3
341.10941	26.0
355.10236	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.68943	0.7
54.39404	0.5
57.29330	0.8
71.05013	1.6
89.55519	0.8
116.33694	0.8
124.26710	0.6
130.52444	0.7
140.45113	0.7
144.74506	0.8
164.25250	0.8
169.06151	0.8
193.58386	0.7
202.75563	0.7
237.36009	0.7
293.58899	0.8
315.23285	0.9
343.26392	7.3
350.83389	0.9
352.33511	0.7
391.29648	5.2
393.31647	16.8
394.32550	0.9
411.32635	3.3
427.32257	2.7
469.33246	15.4
487.33578	100.0
488.34341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44883	0.3
71.05015	1.2
96.70235	0.3
108.69360	0.3
142.73788	0.3
147.38641	0.3
269.04367	0.3
347.00220	0.3
407.33289	5.8
423.32806	0.3
425.34357	6.0
427.32120	1.7
429.90622	0.3
443.35367	11.5
469.33313	0.6
487.34311	100.0
488.34573	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	487.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41925	0.5
55.20383	0.5
66.87852	0.6
71.05029	0.8
88.76926	0.6
92.10832	2.5
97.06580	7.2
189.12880	1.1
191.14455	1.3
361.22153	0.6
389.28571	2.3
391.30014	5.1
393.27969	2.3
403.30020	0.7
405.31613	7.8
407.33438	12.9
409.31085	2.8
423.33057	1.8
425.34372	1.1
439.32141	0.8
441.33737	13.5
443.35471	0.9
446.10449	0.6
449.30634	2.9
451.32184	25.2
452.32538	0.9
453.33743	100.0
454.34171	3.3
467.31781	2.4
469.33115	3.0
471.34830	1.1
485.32440	1.6
487.34271	45.6
488.34399	0.8
497.32709	0.7
503.32065	0.6
513.32935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	bayogenin
Peak:m/z	Relative Intensity
55.02032	0.4
71.05020	2.7
86.45706	0.6
94.25241	0.5
135.10161	0.6
149.44142	0.5
159.96988	0.6
411.32849	0.8
425.34290	0.7
443.35229	6.7
457.33243	100.0
458.33676	3.5
487.34320	71.7
488.34534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.1
76.21481	0.4
80.47351	0.4
88.39590	0.6
96.90208	0.4
97.06632	0.5
111.63109	0.5
123.33031	0.5
130.43240	0.5
169.32281	0.5
180.19609	0.5
184.44467	0.6
240.22620	0.5
241.38283	0.6
257.10660	0.5
377.28430	2.3
393.31659	4.2
405.31845	2.0
407.33264	0.7
423.32782	11.8
425.27332	0.5
425.34235	4.6
439.32220	2.5
441.33707	4.7
457.33130	1.0
467.31741	2.7
469.33276	4.8
475.34155	0.6
487.34268	100.0
488.34879	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	487.3427
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.30776	0.1
56.36720	0.2
93.07908	0.2
101.65073	0.2
107.21039	0.2
121.68584	0.2
269.47623	0.2
379.02469	0.2
432.00201	0.2
487.34271	100.0
488.34583	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Cimigenol
Peak:m/z	Relative Intensity
54.46804	0.4
55.78445	0.4
71.05006	5.0
76.68465	0.4
78.17944	0.5
83.05024	0.4
85.06573	0.7
97.06580	2.7
113.73483	0.5
150.60957	0.6
224.79384	0.5
337.25317	2.1
365.94846	0.5
403.30106	0.9
405.31708	6.0
409.31024	6.6
423.32642	2.2
425.34335	4.6
439.32245	0.9
449.30792	2.6
451.32300	6.8
457.33276	2.0
467.31717	3.0
469.33279	18.8
470.33514	0.6
487.34326	100.0
488.35025	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	487.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.2
65.07773	1.2
71.01373	1.4
85.02949	2.1
87.00880	2.4
92.10798	5.7
93.03445	5.0
95.41271	1.2
101.62643	1.4
109.06585	1.8
358.16827	1.6
383.29541	2.4
401.03571	1.5
413.30441	1.5
425.30615	76.6
427.28323	1.8
439.28308	2.4
443.31512	2.8
457.29504	5.2
487.34143	100.0
488.34778	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	487.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19103	0.4
55.33348	0.4
58.00582	0.6
65.21637	0.4
66.57376	0.4
71.05009	0.9
75.06373	0.5
83.99969	0.4
119.18281	0.4
137.17912	0.5
146.73489	0.5
173.95540	0.6
231.22203	0.5
297.24719	0.5
407.33392	0.8
423.32831	0.9
427.32281	2.4
443.35220	0.6
467.31888	2.8
469.33139	14.0
487.34277	100.0
488.34421	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81577	6.2
58.02742	5.9
59.01379	79.7
61.98829	9.0
71.05000	8.4
78.95901	6.9
80.54076	6.7
93.03411	6.9
103.14492	7.5
123.04501	9.7
135.04546	12.2
191.05595	11.3
487.23071	15.8
487.34119	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	487.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03786	2.5
55.02303	2.6
55.75218	2.8
59.01381	29.7
71.59248	2.9
115.93204	2.8
180.64807	3.5
289.17908	3.0
301.56979	3.3
487.34705	100.0
492.36383	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	487.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78399	1.3
58.00599	2.9
58.54547	1.1
59.01380	10.8
61.98817	1.4
69.13766	1.4
69.21183	1.2
71.01384	3.1
71.05002	15.8
73.02924	2.1
73.30346	1.2
78.70332	1.2
85.02937	1.5
85.08768	1.3
87.00848	3.1
95.42703	1.4
98.46198	1.4
104.04202	1.4
149.52998	1.4
167.73659	1.9
175.76915	1.5
189.12799	9.0
191.05550	2.4
210.68991	1.3
213.02164	1.4
234.85522	1.4
240.92862	1.7
355.22775	2.1
361.25388	1.6
367.22635	3.2
377.28284	9.1
379.68790	1.5
385.23730	3.0
388.70959	1.5
393.31595	16.7
401.63522	1.5
403.24838	7.2
407.33414	2.5
409.30731	3.2
415.24799	6.6
423.32675	29.4
425.34555	22.4
427.32687	2.3
437.30676	1.8
443.31479	20.7
451.25223	11.9
457.33145	7.7
469.34106	13.4
487.34097	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	487.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05634	1.0
71.01400	6.3
76.56668	1.2
93.03470	2.2
96.95991	2.1
115.00391	11.8
116.92875	1.7
119.05013	100.0
130.14809	1.2
133.01433	18.0
134.89485	7.2
135.04517	1.4
145.02930	4.8
163.03996	75.0
191.05606	12.6
268.60361	1.3
325.09180	12.7
368.97055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2101
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
56.18134	2.8
59.01387	16.2
61.98825	100.0
71.01371	2.9
72.26297	3.1
81.03509	3.0
85.02983	3.1
93.03429	7.3
115.89034	3.2
177.01921	6.2
191.05574	5.8
199.93275	3.5
449.14886	3.4
449.22684	3.7
456.53384	3.5
460.48807	3.7
483.88193	3.6
487.20862	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	487.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79074	0.4
57.03451	8.2
59.01386	5.9
59.36747	0.4
69.17670	0.5
71.01376	5.3
72.22227	0.5
72.81496	0.6
73.02948	5.5
78.61596	0.5
80.28680	0.6
83.01383	0.7
84.68890	0.5
85.02946	9.2
87.00899	4.5
88.40138	0.5
89.02435	3.3
91.72366	0.5
93.03461	3.8
99.00888	2.2
101.02437	84.9
102.05604	1.0
111.01992	1.2
111.04497	0.7
113.02419	1.0
115.00358	1.3
119.03445	1.1
119.05001	0.7
127.04017	1.2
127.05008	0.6
128.03534	1.0
133.01421	1.3
137.02391	0.6
145.01425	100.0
145.06158	4.2
146.04578	2.4
171.03090	0.9
173.04465	1.0
181.07187	0.7
191.05612	56.7
192.05980	0.9
193.06038	0.7
287.26642	0.6
295.10379	4.9
313.36923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3632
Annotation	cholesteryl hemisuccinate
Peak:m/z	Relative Intensity
57.53827	0.5
58.44324	0.5
67.55443	0.5
104.66470	0.5
110.10955	0.6
125.41306	0.7
130.51619	0.5
155.03502	0.7
331.69052	0.7
349.08704	0.7
441.33426	1.7
441.79272	0.8
451.32300	1.1
485.36700	100.0
486.36835	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	486.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93599	0.2
59.01369	4.3
61.98824	100.0
63.24665	0.3
67.01886	0.5
71.01375	1.2
73.02930	0.4
82.54371	0.3
85.02972	0.5
87.00843	0.5
89.02400	0.4
93.03448	1.9
94.03743	0.3
95.95385	0.3
101.02423	0.4
110.89006	0.3
117.60033	0.3
125.05894	0.3
146.78351	0.3
147.40784	0.3
153.91124	0.4
167.20552	0.3
173.04457	0.4
191.05684	0.4
426.23450	0.5
449.14584	0.4
450.14984	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	485.3631
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.99311	0.5
68.08182	0.3
70.63596	0.3
71.05007	1.6
71.19665	0.3
72.92453	0.4
83.72153	0.3
85.06628	0.4
97.06567	11.6
137.09775	1.1
154.13701	0.4
191.14471	0.4
214.65527	0.4
361.80405	0.4
373.25415	1.4
374.26172	0.5
375.26953	0.5
389.28455	3.4
391.30045	5.7
405.26492	0.7
405.31586	13.1
407.33130	14.4
423.28687	0.6
437.30069	1.0
439.32153	2.3
441.33713	9.4
451.32175	46.2
452.32507	1.6
453.33746	100.0
454.33853	3.3
471.34833	7.2
485.36548	18.5
497.32822	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51681	0.4
54.81419	0.4
61.01730	0.4
61.48181	0.4
63.77516	0.4
87.68253	0.5
120.61909	0.6
257.31424	0.5
379.29749	0.8
391.30081	0.7
409.31067	2.0
437.30679	2.5
455.31665	58.0
456.32104	2.4
485.32742	100.0
486.33127	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	485.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79236	0.6
58.16610	0.7
93.68547	1.0
105.76350	0.9
116.99255	0.9
117.98936	0.8
125.29219	0.8
190.54138	0.9
222.93999	0.9
223.70839	1.0
485.32724	100.0
486.33047	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41068	0.7
74.90318	0.7
83.05005	11.2
109.06626	0.8
129.10249	0.6
204.61308	0.9
325.25241	1.1
339.26776	1.0
357.28079	3.3
364.12329	0.8
391.30286	0.9
405.31610	4.8
413.30310	0.8
423.32599	4.1
437.30627	1.1
441.33743	3.1
446.80630	0.8
467.31638	22.9
473.32980	0.8
481.08063	0.8
485.32718	100.0
486.32904	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	485.3272
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
65.48428	0.3
73.02908	0.3
74.92226	0.3
77.07193	0.3
118.48525	0.4
158.01608	0.4
187.64322	0.4
296.49661	0.3
318.93228	0.3
405.31586	0.5
423.32816	2.2
439.32080	0.5
441.33813	1.3
473.32541	0.6
485.32742	100.0
486.33081	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	485.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37848	0.2
57.14208	0.2
59.01378	0.5
61.98809	0.2
66.29082	0.2
66.59744	0.2
71.01366	0.2
92.10761	0.3
93.03441	0.3
103.06778	0.3
105.30695	0.2
148.13176	0.3
154.96205	0.2
163.40541	0.3
177.46165	0.2
181.91014	0.2
233.15369	0.2
243.89490	0.2
248.21042	0.3
363.26724	0.8
379.29874	0.9
390.33072	0.3
391.30139	0.5
409.31033	2.1
423.32767	0.5
437.30762	2.9
441.33817	3.1
455.31689	7.4
467.31665	1.3
485.32730	100.0
486.33191	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	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76225	2.0
57.03472	2.4
57.32020	1.7
59.01382	100.0
59.22255	1.9
61.01126	2.0
63.49322	1.9
71.01378	20.6
71.63328	1.9
73.02948	8.7
74.68736	2.0
83.01391	4.9
85.02946	10.4
87.00893	2.3
89.02438	11.8
101.02446	16.6
101.12980	1.8
102.53953	2.1
103.59655	2.2
108.54900	2.0
108.93064	1.8
113.02441	3.5
119.03509	2.8
161.04459	2.5
165.85791	2.4
191.05536	3.0
284.03378	2.5
328.51178	2.3
339.21378	2.2
381.22830	2.8
398.15280	2.3
399.23883	16.9
405.85339	2.2
447.08804	2.9
485.32651	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	485.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08548	0.3
69.10582	0.3
71.05010	3.8
91.05648	0.3
93.79190	0.4
99.04493	0.5
123.08139	0.3
191.96480	0.3
206.20677	0.3
262.30237	0.3
373.25220	0.4
377.28406	1.3
393.31696	1.6
403.30069	0.6
407.29309	0.5
419.29361	0.5
421.31180	0.6
423.32639	1.6
425.30270	3.6
437.30621	2.2
441.33798	1.7
467.31641	18.8
468.31506	0.4
485.32724	100.0
486.33041	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	485.328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05015	3.8
73.96586	0.5
76.36036	0.4
142.11133	0.6
377.28433	2.0
393.31393	2.1
423.32724	3.5
425.30560	2.5
437.30511	1.9
441.33810	2.2
467.31631	15.6
485.32706	100.0
486.32956	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	485.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82119	0.3
57.03449	2.2
59.01373	7.7
60.15654	0.3
60.99294	0.7
61.97181	0.4
61.98821	0.9
67.01882	3.4
69.03448	0.6
71.01357	3.5
73.02927	0.5
74.72149	0.4
76.36968	0.4
79.61979	0.3
80.37910	0.3
81.03445	0.9
83.05042	1.0
85.02934	12.0
87.00855	6.7
87.02732	0.6
89.02415	0.4
93.03436	22.6
96.95474	0.4
96.95983	3.3
99.00871	0.6
108.02147	0.6
109.02938	18.6
110.02564	0.6
110.03261	5.4
111.03416	0.5
111.04512	3.9
113.02509	0.4
119.04993	0.4
125.02470	0.5
127.03982	3.2
129.01888	0.5
132.99103	0.4
133.02916	0.4
135.04503	2.7
137.02426	0.8
149.06090	0.5
153.01917	13.0
154.02287	5.0
155.02388	3.7
155.03482	0.6
171.02972	0.6
172.05254	0.7
173.04565	9.0
173.05959	1.1
173.09727	0.5
175.03781	0.5
175.07706	0.7
177.01906	0.6
185.09750	0.6
187.04022	0.5
187.07623	8.9
189.12865	5.9
191.05605	100.0
192.05930	0.7
199.07385	0.4
201.05388	0.7
201.12779	3.3
202.06375	4.3
203.07187	1.5
203.14362	0.7
213.09215	1.0
215.07220	0.4
216.07863	0.5
227.03360	0.6
227.10785	0.5
228.04305	0.5
229.08643	0.4
231.10243	3.3
257.08157	4.0
258.77969	0.4
263.12836	6.5
275.09195	2.7
285.04092	1.7
293.05032	0.4
425.36145	0.5
447.09561	0.9
449.14517	16.8
467.15771	0.8
485.11758	4.5
485.17889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.52571	0.7
59.01374	100.0
60.99314	1.2
61.98829	3.2
67.01891	4.8
69.03448	1.2
70.16102	0.7
71.01365	18.4
71.01735	0.8
73.02933	13.9
73.03268	0.7
75.00883	1.0
76.76424	0.7
81.03467	1.0
83.01402	3.7
83.05022	0.7
84.95136	0.9
85.02946	5.8
85.57740	0.6
86.46342	0.7
87.00858	6.3
89.02413	8.6
93.03436	30.5
95.01426	0.7
99.00891	1.5
101.02426	15.0
109.02972	1.0
111.04498	3.1
113.02454	8.0
119.03484	1.5
125.02391	0.9
133.02975	1.2
134.03720	4.7
135.04509	3.7
137.02464	1.2
143.03519	1.0
161.04527	3.7
162.03206	1.3
173.04552	12.1
179.05621	0.9
191.05598	9.3
200.64780	0.9
201.09288	0.7
227.74623	0.8
275.09305	1.0
285.03854	1.2
325.71353	0.8
361.73788	0.7
413.96356	1.0
427.33044	0.8
449.14554	18.4
449.27670	1.1
467.15640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82119	0.3
57.03449	2.2
59.01373	7.7
60.15654	0.3
60.99294	0.7
61.97181	0.4
61.98821	0.9
67.01882	3.4
69.03448	0.6
71.01357	3.5
73.02927	0.5
74.72149	0.4
76.36968	0.4
79.61979	0.3
80.37910	0.3
81.03445	0.9
83.05042	1.0
85.02934	12.0
87.00855	6.7
87.02732	0.6
89.02415	0.4
93.03436	22.6
96.95474	0.4
96.95983	3.3
99.00871	0.6
108.02147	0.6
109.02938	18.6
110.02564	0.6
110.03261	5.4
111.03416	0.5
111.04512	3.9
113.02509	0.4
119.04993	0.4
125.02470	0.5
127.03982	3.2
129.01888	0.5
132.99103	0.4
133.02916	0.4
135.04503	2.7
137.02426	0.8
149.06090	0.5
153.01917	13.0
154.02287	5.0
155.02388	3.7
155.03482	0.6
171.02972	0.6
172.05254	0.7
173.04565	9.0
173.05959	1.1
173.09727	0.5
175.03781	0.5
175.07706	0.7
177.01906	0.6
185.09750	0.6
187.04022	0.5
187.07623	8.9
189.12865	5.9
191.05605	100.0
192.05930	0.7
199.07385	0.4
201.05388	0.7
201.12779	3.3
202.06375	4.3
203.07187	1.5
203.14362	0.7
213.09215	1.0
215.07220	0.4
216.07863	0.5
227.03360	0.6
227.10785	0.5
228.04305	0.5
229.08643	0.4
231.10243	3.3
257.08157	4.0
258.77969	0.4
263.12836	6.5
275.09195	2.7
285.04092	1.7
293.05032	0.4
425.36145	0.5
447.09561	0.9
449.14517	16.8
467.15771	0.8
485.11758	4.5
485.17889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36211	0.2
57.03457	0.2
59.01379	2.8
60.99292	0.8
67.01885	2.5
69.03434	0.6
71.01373	2.1
73.02946	0.3
83.05025	0.2
83.73898	0.2
85.02931	4.7
85.79613	0.2
86.32548	0.2
87.00854	6.3
89.02419	0.4
92.25763	0.2
92.63977	0.3
93.03437	18.7
99.00867	0.5
101.02400	0.3
109.02955	0.4
111.04499	3.5
111.05170	0.3
113.02422	1.0
127.03992	1.6
127.76800	0.2
129.01912	0.4
132.73616	0.2
136.81531	0.3
140.07861	0.2
155.03423	1.0
171.08386	0.3
173.04514	9.0
179.05569	0.4
182.12222	0.3
191.05597	100.0
192.05916	0.4
194.92867	0.2
233.04482	0.8
233.06609	4.4
261.06216	2.2
293.08792	20.0
485.12726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75564	0.3
56.65207	0.3
57.03447	0.8
59.01373	5.8
59.93102	0.3
60.99308	0.6
65.01807	0.2
67.01862	3.0
69.03460	1.6
71.01371	3.4
72.99311	0.4
73.02977	0.3
83.05052	0.5
85.02937	5.5
85.03343	0.3
87.00861	13.5
89.02444	2.0
93.03439	20.2
95.01380	0.5
96.95985	4.0
99.00865	0.7
101.02444	1.6
109.02940	0.4
111.00828	0.4
111.04485	3.9
112.98795	1.6
113.02422	2.0
115.04005	0.3
117.25744	0.3
119.03450	0.5
127.03995	1.3
127.82171	0.3
129.01949	1.3
137.02455	0.4
142.99841	0.4
147.02979	0.7
151.04112	0.4
155.03584	0.5
164.46222	0.3
173.00880	1.4
173.04529	11.0
173.06010	0.4
175.02470	1.7
179.05569	0.7
191.05598	100.0
192.05911	0.7
229.21814	0.3
233.06613	5.6
261.06104	2.0
265.55731	0.4
279.07101	3.5
293.08798	18.8
293.12036	0.8
297.04858	0.3
411.58038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07487	0.8
54.94835	0.7
56.62742	0.7
59.01386	4.5
70.80796	0.8
78.05645	0.8
78.95895	9.4
82.63446	0.9
92.56862	0.7
142.91214	0.9
152.99574	16.0
175.07164	1.0
203.30359	0.8
227.03271	1.4
255.23286	100.0
256.23761	2.1
483.27219	33.5
483.33902	1.6
484.27640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82511	0.2
59.01373	0.2
63.02383	1.5
65.00317	7.1
83.01376	3.6
85.02953	0.2
87.00902	0.2
92.10159	0.7
93.03452	0.9
107.01379	17.5
108.02155	0.2
108.99296	0.2
109.02950	1.4
125.02421	4.1
133.02893	0.3
134.03741	0.8
135.04503	69.1
136.01634	0.7
136.04817	0.7
149.91956	0.2
151.00356	100.0
152.00734	0.9
159.04410	0.2
161.02408	1.0
164.01152	1.0
165.01947	0.8
169.01390	1.5
173.04518	0.7
174.03195	0.2
175.03966	0.2
177.01949	0.6
181.45270	0.2
191.05591	1.1
201.02049	0.2
201.05574	0.3
264.94504	0.2
269.04538	0.9
280.00958	0.2
285.04013	0.3
287.05609	41.5
288.05875	0.6
297.03976	0.3
297.09811	0.9
299.05588	0.3
323.07837	0.2
327.05084	0.7
343.04657	0.3
449.10907	35.3
450.11182	0.8
467.15625	0.2
485.16620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44395	2.6
59.01370	11.9
64.00880	2.1
191.05473	2.7
195.58949	2.5
200.97234	3.2
255.03554	2.5
284.03262	5.1
285.03943	12.2
437.30612	11.7
439.28244	3.9
447.08762	5.4
453.30002	5.3
471.31155	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	483.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41995	4.2
59.01381	33.3
61.98838	9.1
64.41181	4.4
64.76629	5.2
79.72485	5.0
82.40096	5.0
102.90424	5.6
132.69145	5.4
185.36893	6.2
284.03134	9.5
285.03973	40.5
439.32166	25.7
447.09335	6.0
483.31400	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	483.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55400	3.2
58.76591	5.0
59.80935	3.4
63.47840	3.9
75.99132	3.8
76.55723	4.2
82.52596	4.1
92.10171	8.2
102.94592	3.9
110.35473	4.5
152.55750	4.4
191.05432	4.2
284.03131	4.8
285.04089	7.5
380.55957	4.4
429.53543	4.8
437.30606	20.3
447.09317	6.7
471.30988	100.0
483.31134	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	483.3112
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
54.81807	0.6
61.32908	0.4
62.07736	0.5
70.02132	0.5
71.05017	2.2
83.31052	0.4
83.47729	0.5
107.54700	0.4
110.79716	0.6
137.06102	0.7
419.29688	0.9
421.31046	5.4
423.29047	0.9
439.31888	1.2
465.30081	16.9
478.76038	0.6
483.31152	100.0
484.31625	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	483.3112
Annotation	Propapyriogenin A2
Peak:m/z	Relative Intensity
50.67001	0.5
55.01875	0.7
70.41864	0.6
70.60230	0.5
73.20895	0.5
78.37578	0.6
83.05018	11.4
86.38125	0.6
93.00651	0.7
158.69426	0.6
325.25540	4.0
355.26498	4.0
367.26169	0.6
375.26993	3.0
389.28592	0.9
391.29922	2.2
401.28586	2.1
405.28018	0.8
411.29144	0.8
419.29602	2.3
421.31189	5.9
435.29025	2.4
439.32300	3.0
453.30035	4.8
465.30130	24.2
483.31183	100.0
484.31631	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	483.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55697	1.2
51.74091	1.0
53.25656	1.2
53.67310	1.2
55.01878	6.0
55.09893	1.1
57.03454	2.4
59.01377	48.0
63.12273	1.3
66.15019	1.2
71.01374	40.7
71.06200	1.3
72.99311	1.2
73.02925	17.7
75.00871	2.0
82.95415	1.9
83.01378	11.3
85.02938	24.3
86.00105	1.6
87.00848	1.9
87.80699	1.3
89.02421	15.1
90.94498	1.2
93.03436	3.2
95.01376	3.2
99.00858	8.1
101.02427	43.3
113.02443	21.0
115.04038	2.6
119.03499	5.4
121.02940	2.7
123.82155	1.3
125.02419	3.0
133.02905	1.6
135.04399	1.3
144.78514	1.6
159.02959	1.7
161.04544	6.8
179.05571	2.7
191.05643	17.3
210.61189	1.4
242.70824	1.3
284.03110	2.4
285.04181	10.9
285.06845	1.5
305.19666	27.8
318.52142	1.5
326.16833	1.5
379.20844	1.8
437.23932	100.0
438.23911	1.8
447.09253	5.5
448.08948	1.5
451.69714	1.5
459.04312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18649	1.2
68.52403	1.4
74.56639	1.4
78.95885	20.8
85.68937	1.5
92.10773	2.7
95.03452	1.5
101.47872	1.5
111.05412	1.6
114.04160	1.5
120.28139	1.6
152.99561	35.4
165.33743	1.7
227.03259	2.6
255.23276	100.0
340.73727	1.8
402.02597	1.5
406.10043	1.7
413.18320	1.7
483.27075	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24675	0.4
55.58493	0.4
57.98204	0.4
58.37849	0.5
58.77377	0.5
78.95889	9.9
96.96997	0.7
106.00058	0.5
140.07054	0.5
152.99577	18.1
212.21558	0.5
227.03268	1.1
255.23265	100.0
256.23502	0.8
375.74200	0.5
376.26678	0.5
483.27161	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3118
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
55.12337	0.6
58.21209	0.6
59.01377	0.6
60.40760	0.8
61.42101	0.6
71.05022	1.0
73.02946	0.9
83.05018	9.8
120.67649	0.7
191.05763	0.8
201.90331	0.8
268.09329	0.7
284.03174	0.8
285.04065	1.6
315.37714	0.7
325.25330	3.1
355.26230	5.1
375.26770	1.1
391.30148	3.0
405.28116	1.5
411.28604	1.1
419.29666	3.1
421.31271	3.6
435.29001	2.5
437.30423	1.2
439.32062	3.3
447.08887	0.9
453.30164	1.3
456.89929	0.8
463.28836	6.3
465.30063	19.7
483.31180	100.0
484.31577	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
71.01382	0.6
72.17690	0.3
81.03458	0.7
85.02924	0.8
93.03419	0.4
95.01367	0.5
103.41898	0.4
108.02167	100.0
109.02947	38.6
109.03717	0.7
121.03004	0.5
128.83444	0.4
129.10155	0.4
135.00815	0.5
151.03938	0.9
152.01140	64.9
153.01921	14.9
163.03983	0.7
165.01970	0.6
185.11795	10.3
196.02823	0.4
208.36072	0.5
483.18692	69.6
484.19006	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71687	1.2
55.01872	8.8
57.03447	7.3
59.01374	75.8
59.39486	1.2
61.98822	7.8
63.99237	1.3
67.20399	1.2
69.03458	3.1
71.01369	69.7
71.01746	2.7
72.99295	1.8
73.02929	30.3
73.82912	1.7
75.00863	1.9
78.95921	2.1
82.53857	1.6
83.01369	18.2
85.02938	45.8
85.03420	2.5
87.00841	3.2
89.02436	14.9
93.03461	10.1
95.01380	6.3
97.02906	2.3
99.00867	15.6
101.02427	72.3
111.00913	2.2
113.02436	47.9
119.05002	2.5
125.02416	2.9
129.01904	2.8
131.03445	1.9
135.04498	2.8
137.02438	3.2
142.56296	1.6
149.64296	1.6
159.02953	6.7
161.04591	21.0
163.04024	2.8
173.04517	20.0
191.05649	15.0
267.02969	2.1
284.03305	2.8
285.04013	13.5
291.18130	98.9
292.18369	1.7
294.78976	1.4
295.02487	14.3
296.03024	2.2
311.05524	1.8
333.19278	18.2
337.09076	3.0
357.68820	1.4
423.22366	100.0
424.22488	1.6
447.07214	14.9
483.19543	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	483.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.5
57.03440	5.0
59.01374	58.6
59.02930	0.6
61.98834	2.4
65.40961	0.5
69.03451	0.8
71.01376	49.4
72.99322	1.2
73.02937	20.2
73.03327	1.1
82.95427	3.0
83.01385	15.5
85.02947	28.5
86.00089	2.5
87.00879	3.3
89.02438	9.4
93.03457	0.7
95.01384	4.5
96.95995	0.6
97.02938	1.4
99.00867	7.8
101.02429	58.0
102.59013	0.5
107.01369	1.1
109.02934	10.7
113.02438	24.6
119.56777	0.6
121.62843	0.6
125.02425	3.7
129.01913	0.9
131.03458	0.9
135.00883	1.1
135.04561	0.8
143.03532	1.2
151.00340	4.0
153.01961	5.4
159.02954	4.5
159.04488	4.5
161.02443	0.7
161.04558	12.0
185.11780	1.0
191.05614	2.9
232.07317	0.7
243.03171	0.6
253.04852	0.8
279.02997	0.8
285.04013	3.5
291.18118	100.0
295.02444	3.4
295.05991	1.3
296.03162	3.0
305.19803	0.7
311.05518	2.3
321.03934	3.0
335.17209	1.2
337.03516	0.9
405.06082	1.3
410.08560	0.7
423.22342	65.4
424.22720	0.9
447.07150	13.9
447.22290	2.4
448.07565	1.3
483.19711	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03443	1.4
59.01377	17.5
61.98824	35.0
63.99254	6.7
67.01870	4.7
69.03454	1.0
71.01374	9.6
71.22798	0.6
71.59385	0.6
73.02943	3.0
80.40211	0.6
81.03467	1.0
83.01385	1.6
83.05019	0.6
85.02930	6.2
87.00905	1.2
88.98792	1.1
89.02444	4.0
93.03438	43.8
95.05032	0.6
99.00844	0.8
101.02431	5.1
108.02171	1.4
109.02953	3.0
111.04517	4.4
113.02444	2.9
117.03474	1.2
119.05013	29.6
123.04504	83.1
125.02438	0.6
133.02946	3.5
135.04509	3.4
137.02428	18.0
145.02925	5.3
153.05557	77.8
155.03447	5.6
158.43073	0.6
161.02463	0.9
163.02620	0.7
163.04001	28.2
173.04532	100.0
179.03468	0.8
185.11928	0.9
191.05597	19.9
192.05963	0.8
284.03091	1.1
285.04059	17.9
286.04282	1.2
291.18173	6.6
297.04041	3.0
311.05704	2.8
319.08228	4.0
337.09305	35.0
411.07150	1.3
423.22351	11.8
429.08438	1.3
447.09433	1.6
483.18323	1.0
483.29990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03443	1.4
59.01377	17.5
61.98824	35.0
63.99254	6.7
67.01870	4.7
69.03454	1.0
71.01374	9.6
71.22798	0.6
71.59385	0.6
73.02943	3.0
80.40211	0.6
81.03467	1.0
83.01385	1.6
83.05019	0.6
85.02930	6.2
87.00905	1.2
88.98792	1.1
89.02444	4.0
93.03438	43.8
95.05032	0.6
99.00844	0.8
101.02431	5.1
108.02171	1.4
109.02953	3.0
111.04517	4.4
113.02444	2.9
117.03474	1.2
119.05013	29.6
123.04504	83.1
125.02438	0.6
133.02946	3.5
135.04509	3.4
137.02428	18.0
145.02925	5.3
153.05557	77.8
155.03447	5.6
158.43073	0.6
161.02463	0.9
163.02620	0.7
163.04001	28.2
173.04532	100.0
179.03468	0.8
185.11928	0.9
191.05597	19.9
192.05963	0.8
284.03091	1.1
285.04059	17.9
286.04282	1.2
291.18173	6.6
297.04041	3.0
311.05704	2.8
319.08228	4.0
337.09305	35.0
411.07150	1.3
423.22351	11.8
429.08438	1.3
447.09433	1.6
483.18323	1.0
483.29990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.296
Annotation	Oncostemonol B
Peak:m/z	Relative Intensity
55.69415	5.5
59.01379	8.7
92.10856	11.7
132.96860	6.0
172.52498	5.5
219.93733	6.2
225.81770	5.9
405.28009	31.0
435.29019	29.7
439.28577	100.0
449.26929	13.5
469.29239	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.98830	1.0
65.99850	0.3
71.01381	0.2
71.03065	0.1
71.52862	0.1
74.76539	0.1
84.37850	0.1
85.02933	0.2
89.96030	0.1
93.03471	0.2
100.45631	0.2
101.21355	0.1
123.00863	3.2
124.01636	9.2
135.04428	0.2
136.95067	0.1
152.51353	0.2
153.00694	0.2
154.01447	100.0
154.97612	0.2
155.01807	1.1
160.31985	0.1
161.02444	0.2
171.82948	0.1
191.05576	1.6
424.36426	0.2
457.50995	0.2
481.32013	0.2
482.16705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66053	0.4
53.96673	0.4
74.27599	0.5
74.60304	0.5
83.01400	0.6
92.10775	0.9
93.03444	0.7
96.95992	15.9
107.01438	0.9
109.02936	4.1
119.05008	2.7
119.63806	0.6
121.02937	2.4
125.02416	2.9
133.02937	15.5
135.04460	1.0
137.02394	0.6
147.04468	1.2
149.02405	2.5
151.00291	1.0
151.04089	0.8
154.62022	0.5
161.02428	1.2
163.00305	3.2
163.03957	3.9
165.01898	2.5
175.03932	3.5
177.01950	1.2
191.03493	2.3
191.05605	2.3
193.01395	3.5
199.03935	2.2
201.01898	0.9
203.03658	0.6
211.03954	1.1
213.05600	1.1
217.46402	0.5
225.05774	0.7
229.04843	0.7
240.04204	0.9
253.04991	0.7
271.05646	0.6
284.03223	11.1
285.03973	8.0
297.04001	19.3
298.04742	11.7
299.05588	20.3
309.04001	0.8
311.05637	3.1
325.03290	0.6
327.05081	100.0
328.05280	1.2
339.04999	4.1
357.06134	23.3
366.67889	0.6
369.06073	2.3
447.09326	62.0
448.09186	0.7
462.98468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59635	0.8
54.10513	0.9
54.81505	1.0
57.87201	0.8
58.62793	0.9
59.01381	15.0
60.93922	0.8
62.57429	1.0
65.46391	0.9
67.01897	1.7
67.37057	1.0
68.12074	0.9
71.01368	17.0
72.99302	1.5
73.02940	4.2
76.51430	0.9
80.94086	0.9
83.01371	7.5
85.02937	20.2
87.00860	13.0
89.02399	7.3
92.10061	3.0
93.03428	16.2
93.03851	0.8
96.96004	5.3
97.02932	1.4
98.15897	1.1
99.00859	8.7
101.02442	10.1
109.02935	11.4
110.90379	1.0
111.04514	4.1
113.02442	6.4
115.00352	16.1
116.92834	10.0
119.04967	2.1
121.02943	1.0
121.06590	1.0
122.06141	1.1
123.04508	1.2
124.07658	1.4
125.02407	4.5
126.27220	1.0
127.00314	1.2
127.03996	2.2
131.03468	1.1
133.02902	4.7
135.04491	8.7
137.02446	1.4
139.00432	1.2
145.02930	7.3
146.03743	3.9
147.04503	5.8
148.05261	4.2
149.06058	76.3
151.04004	1.2
159.04517	1.1
161.02417	23.4
161.04512	1.3
161.06023	1.1
163.03996	4.9
165.05582	4.1
173.04532	4.4
174.03148	2.3
175.02451	10.7
175.03989	17.0
175.07607	4.8
176.01071	1.0
177.01910	16.1
177.05550	1.4
179.03476	1.3
188.04716	1.4
189.05513	4.3
191.05594	100.0
193.04977	11.1
200.04778	2.1
203.07135	9.7
205.05107	1.6
206.02234	2.3
219.02977	18.3
229.08618	1.4
233.04523	14.1
237.04012	21.5
273.07605	3.9
275.05338	1.2
277.03571	15.6
291.08499	1.0
291.14355	7.8
293.06702	11.9
319.04605	4.0
323.71768	1.1
337.05652	32.1
423.18726	16.8
465.14087	1.8
483.15076	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	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
55.51448	1.2
57.03445	19.1
59.01379	67.4
59.01674	2.6
68.99838	1.5
71.01375	26.8
72.99315	1.3
73.02941	2.6
78.95901	3.4
81.03471	2.0
83.01440	1.3
83.05026	5.4
85.02940	14.7
87.00854	1.5
87.04533	8.0
89.02428	25.7
95.01418	2.3
95.50801	1.4
96.95994	97.5
96.96984	4.8
98.95592	1.9
99.00847	1.7
100.01263	1.2
101.02413	13.9
104.01890	1.2
109.02966	1.9
109.06570	6.1
112.05241	1.3
113.02443	10.7
116.92838	2.1
119.03494	7.8
120.05795	1.8
123.08157	2.9
126.90429	6.7
135.04546	2.5
135.08156	72.8
139.07661	6.3
147.08150	12.5
151.77898	1.3
153.09207	100.0
161.04564	7.9
165.09192	66.2
165.10527	3.0
166.20502	1.5
168.48425	1.2
179.05609	9.5
183.10234	26.1
191.05617	11.4
192.05954	1.3
193.12280	2.9
225.11386	2.3
241.14401	20.6
259.15485	62.5
326.90616	1.5
421.20786	33.3
437.08838	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	481.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21621	0.6
51.13339	0.7
51.18383	0.7
52.13353	0.8
54.97195	0.7
55.01883	4.9
55.26144	0.7
55.76674	0.9
57.03450	4.0
58.02328	0.9
59.01378	45.7
61.98828	100.0
62.98558	1.4
68.57297	0.7
69.06577	0.8
71.01377	39.2
72.99306	1.5
73.02944	15.8
73.92682	0.8
75.19013	0.9
81.03512	1.3
83.01378	9.3
85.02948	30.1
85.03413	1.7
85.48964	0.8
86.00117	1.3
87.00859	6.3
89.02422	8.9
92.10882	1.9
93.03447	15.9
95.01361	1.2
97.02956	1.5
99.00867	6.9
101.02434	32.3
108.02155	5.0
109.02944	75.0
111.04515	1.1
113.02443	17.9
113.72488	1.0
123.04532	1.3
125.00999	0.8
125.02435	2.0
125.54480	0.8
127.03961	0.9
143.03497	1.1
152.01147	1.7
153.01923	68.5
155.38567	0.8
159.03041	2.0
159.04437	1.3
161.04546	11.9
163.96523	0.9
167.03418	6.4
173.04573	1.5
187.04137	1.0
191.05608	64.1
202.99892	1.2
203.10791	1.1
213.09108	1.3
231.10291	3.4
233.32712	0.9
257.08185	1.9
273.07663	5.8
289.16553	63.4
300.02649	1.0
301.03427	1.0
310.91544	0.9
325.92651	1.1
342.29996	1.2
365.31723	1.1
406.04141	1.0
421.20789	59.3
431.13629	1.2
481.17160	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48603	0.8
66.23792	0.8
72.18819	0.9
78.95889	66.6
78.97637	0.9
80.83273	0.9
92.56763	0.9
96.96969	6.4
137.03117	0.9
150.98071	1.0
152.99573	79.4
171.00624	27.7
200.76013	0.9
227.03323	1.3
245.04295	100.0
253.21715	64.0
253.24406	1.9
292.67838	0.9
303.31607	0.9
481.25714	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	6-O-(4-Methoxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
51.95946	0.7
59.01377	34.5
61.98834	2.2
71.01376	4.8
73.02955	0.9
85.02938	1.2
89.02425	1.9
93.03477	1.1
95.01380	1.2
97.02924	1.2
101.02419	1.0
108.02191	1.6
119.03495	0.9
122.03744	1.7
123.00871	5.4
123.04456	1.1
124.01640	78.2
131.04991	1.1
133.03008	1.0
137.02415	5.2
137.92131	0.9
138.03178	1.3
147.30849	1.0
148.01691	1.6
149.06100	1.6
149.99507	1.4
150.03210	1.6
151.04080	3.0
156.77443	0.9
158.81459	0.9
159.04512	1.6
164.04781	1.9
166.02647	1.5
170.07414	1.0
175.04021	1.6
177.05518	9.3
178.06158	1.3
188.79907	0.9
191.05594	5.6
219.13914	1.0
231.13818	3.6
245.12004	1.2
247.13322	0.9
248.14127	0.8
249.14825	1.2
259.13281	1.1
263.12900	1.8
273.15125	1.2
275.12921	1.8
291.12335	3.5
292.13193	1.7
293.13968	4.1
305.14056	1.2
333.13458	1.4
334.14252	1.2
335.14883	1.4
353.35797	0.9
463.16281	10.0
481.17148	100.0
482.17761	1.8
500.23538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91530	0.2
53.78548	0.2
59.01372	0.4
61.98832	0.3
63.31893	0.2
64.50003	0.2
64.82179	0.2
81.03448	0.8
85.02955	0.4
92.79836	0.2
108.02180	3.0
108.32414	0.2
109.02943	100.0
110.03281	0.9
153.01923	90.4
154.02269	0.5
191.05609	1.3
205.69106	0.2
273.07748	0.2
421.21054	0.2
460.12973	0.2
460.21298	0.3
481.17075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30771	0.2
59.01368	2.6
61.98823	16.1
71.01377	1.3
81.03445	0.7
85.02966	0.5
91.01852	0.3
93.03489	0.4
101.02420	0.4
108.02161	12.3
109.02937	100.0
110.03280	0.3
113.02382	0.5
123.00882	1.9
123.02677	0.3
123.04533	0.5
151.03989	0.5
152.01137	14.6
153.01918	60.4
154.02257	0.4
154.37993	0.3
191.05525	1.4
205.01370	0.3
289.16458	0.6
297.06229	0.5
315.07187	1.1
360.06055	0.3
404.84244	0.3
421.20749	0.4
451.82782	0.3
481.17151	54.1
482.17471	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84317	0.4
57.03444	0.8
59.01361	0.5
61.98835	0.7
69.03451	1.0
71.01375	4.8
73.02930	0.6
81.03461	1.6
83.01344	0.4
85.02946	4.1
88.30849	0.4
95.01370	2.0
101.02445	2.4
107.05009	0.4
108.02161	90.7
109.02940	68.3
113.02448	1.1
121.02952	0.6
123.00864	2.1
135.00893	0.6
139.11264	1.0
152.01137	82.2
153.01935	19.2
161.04614	0.5
165.01859	0.5
183.10228	2.5
199.59143	0.4
213.21136	0.5
315.07233	2.5
321.11008	0.4
481.17151	100.0
482.17529	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84340	0.3
57.03447	2.6
57.95809	0.3
58.01708	0.3
59.01372	3.7
60.99300	4.5
61.98825	4.3
64.33329	0.3
65.03941	0.8
67.01882	15.1
69.03442	5.5
71.01370	6.0
73.02942	0.6
78.52231	0.3
81.03442	3.2
83.05000	2.6
85.02935	4.3
87.00856	20.8
89.02434	0.5
92.10829	0.7
93.03438	100.0
94.03742	0.4
95.01275	0.4
97.02963	0.4
97.06580	0.8
99.00866	1.3
99.04488	1.4
101.02417	1.6
108.02145	0.5
109.02946	2.2
111.04507	12.4
113.02431	2.8
115.03961	0.8
121.02961	0.3
122.03676	0.6
123.04499	38.0
127.03976	0.5
129.01906	3.0
133.02921	1.3
134.03719	24.4
135.04530	3.3
137.02437	0.7
143.03479	0.4
147.04514	0.4
153.05560	37.1
155.03456	3.7
159.04478	0.4
167.58940	0.4
173.04526	40.0
174.06728	0.4
177.01932	0.5
178.02724	3.2
179.03400	0.6
188.04716	0.6
191.05602	18.8
203.10748	0.7
218.66782	0.3
231.10175	2.4
257.08203	0.6
273.86871	0.4
275.09204	0.8
289.10690	0.8
289.16653	0.5
307.11908	3.5
421.20575	0.7
449.14560	8.9
481.17111	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.77811	0.2
64.33199	0.2
67.01873	0.5
69.03450	0.3
71.01387	1.4
77.57867	0.2
83.05022	0.6
85.02938	11.5
87.00864	3.8
93.03435	5.9
93.03960	0.3
96.02347	0.2
109.02951	1.6
111.04510	1.7
113.02422	0.3
119.51646	0.3
127.04015	3.2
135.04533	0.2
139.89598	0.3
171.02946	0.4
173.04579	2.3
187.04019	1.2
187.07605	2.2
191.05602	100.0
192.05922	0.5
202.06284	2.4
213.09192	1.6
215.07106	0.5
231.10254	1.6
257.08237	0.5
275.09247	1.1
289.10870	0.6
315.72760	0.3
366.03268	0.3
449.14532	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	481.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62526	0.2
55.01879	0.4
55.53901	0.2
59.01375	0.5
71.01379	1.0
71.05007	7.8
78.12533	0.2
81.50648	0.3
83.01385	1.6
85.02928	0.4
93.03449	0.4
95.05003	2.7
97.02925	13.9
101.02418	0.5
108.02170	0.6
109.02934	15.5
109.89994	0.2
111.04447	0.3
121.02909	0.5
126.90446	0.3
137.02419	2.2
139.03986	100.0
140.04315	0.6
146.65349	0.2
151.00282	0.3
153.01907	19.2
153.05505	0.4
162.41078	0.2
163.03952	2.5
165.01888	8.9
181.04959	0.3
183.02924	1.2
191.05606	2.1
327.07281	1.3
345.08231	24.8
346.08585	0.3
481.09979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0984
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
57.03446	18.6
59.01375	1.5
65.00325	5.6
67.01907	1.2
71.14031	0.9
83.01368	8.4
85.02950	2.0
92.10204	1.2
93.03454	4.0
95.01387	1.3
96.96008	1.9
99.00868	1.0
107.01362	10.1
108.02152	1.4
109.02935	27.7
121.02978	4.2
125.02421	100.0
135.04585	1.5
136.01616	1.2
137.02422	87.8
139.03975	2.3
147.00859	1.3
149.01396	1.0
149.02425	6.8
151.00357	25.9
152.01125	2.2
153.01910	34.0
161.02409	2.1
163.00345	6.6
165.01907	14.9
168.36638	1.0
169.01411	5.2
175.00372	6.5
178.99770	4.2
181.01393	12.1
183.02945	7.4
191.05568	7.3
193.01389	15.8
209.00835	1.2
213.79767	1.0
229.05032	1.0
299.07642	9.9
300.41650	1.0
301.03400	1.2
319.04562	1.6
355.06750	20.3
463.08771	6.6
481.09836	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68327	0.2
57.03201	0.2
57.03477	0.3
58.38903	0.2
59.01381	1.7
60.02609	0.2
60.37154	0.2
67.01876	0.5
71.01372	0.5
71.27489	0.2
73.02941	0.4
74.21742	0.3
78.02850	0.2
85.02936	12.1
85.44308	0.3
87.00871	3.6
93.03434	5.7
102.46500	0.2
109.02965	2.4
111.04493	1.9
113.02383	0.3
121.12370	0.3
127.03975	2.8
142.79080	0.2
155.03522	0.5
171.02921	0.6
173.04535	2.2
173.05922	0.4
179.03455	0.4
187.07625	2.1
191.05605	100.0
192.05988	1.2
201.05461	0.3
202.06340	2.5
213.09154	2.8
231.10275	3.5
257.08093	0.4
275.09229	1.3
418.08694	0.4
449.14496	11.5
481.16986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3093
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
59.28390	1.3
61.98831	6.4
78.95884	17.2
101.60738	1.7
140.01195	6.9
168.66667	1.9
196.03773	6.3
214.04916	2.1
283.26407	100.0
330.56668	1.7
396.09076	1.7
480.30991	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	481.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97863	0.3
54.08073	0.3
59.01379	1.3
60.50199	0.3
66.14315	0.3
68.21080	0.3
70.07865	0.3
71.01384	0.4
72.49933	0.3
78.95885	3.8
79.95728	1.8
83.11979	0.4
85.02943	0.7
93.03436	0.5
96.95992	100.0
96.96878	6.0
98.95580	0.5
100.58607	0.3
109.02929	0.5
125.02406	0.8
126.77102	0.4
126.90354	0.5
135.04491	0.5
137.02402	0.7
141.18404	0.4
145.64500	0.3
190.33745	0.3
191.05615	2.4
213.05562	1.8
241.05087	5.0
256.07440	4.1
259.02374	0.5
271.09711	6.3
286.04175	0.4
291.05896	0.4
319.11588	1.4
437.08731	2.8
481.08755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
60.01715	0.5
61.98825	100.0
71.01382	0.8
85.02928	0.6
87.00907	0.4
88.34286	0.4
88.98806	0.4
89.02443	0.4
93.03428	1.9
113.02423	0.5
117.65573	0.3
135.04404	0.3
141.13559	0.3
166.84320	0.3
173.04547	0.6
191.05620	0.6
229.94048	0.3
290.80405	0.4
330.83133	0.3
358.18127	0.3
419.25427	0.6
420.25671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
57.29349	0.2
58.42579	0.1
59.01377	5.6
61.17046	0.2
61.98824	100.0
71.01379	1.5
73.02950	0.4
74.53346	0.2
85.02953	1.3
86.57093	0.2
89.02431	0.3
92.34447	0.2
93.03430	0.7
101.02406	1.3
104.94313	0.2
109.02944	1.5
113.02423	1.1
153.01912	1.9
161.04482	0.3
167.03381	0.2
191.05571	2.4
226.98032	0.2
289.16541	1.1
290.42801	0.2
290.99051	0.2
331.17615	0.3
420.25888	0.4
421.20670	0.7
480.10004	0.2
481.17200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81216	0.2
57.42657	0.2
59.01376	1.1
61.53712	0.2
61.98823	100.0
63.59221	0.2
69.95699	0.2
71.01369	0.2
84.04861	0.2
89.83907	0.2
98.99542	0.2
106.52779	0.2
161.04526	0.2
166.45151	0.2
191.05606	0.3
208.27374	0.2
229.55956	0.2
259.94504	0.2
420.25772	0.4
450.73608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71454	0.4
51.04218	0.4
59.01397	0.5
61.98820	12.5
68.73473	0.5
105.03445	0.6
109.02917	1.1
109.66019	0.6
117.51419	0.5
119.04994	0.6
121.02942	1.1
125.02479	0.7
133.02928	17.1
134.03741	0.8
135.04541	0.7
147.04488	1.0
149.02432	0.6
151.03925	0.5
161.02412	2.3
163.00328	1.9
163.03998	3.7
165.01874	2.0
175.03934	5.2
176.01057	0.5
177.01875	0.8
191.03520	2.2
191.05566	0.9
193.01431	2.3
199.03998	1.2
201.01927	2.3
203.03505	0.8
211.03978	0.8
217.05048	0.8
225.05560	0.9
240.04323	1.1
241.04837	0.7
253.04994	0.6
269.04422	1.7
270.05527	0.5
284.03262	11.5
285.04065	8.9
297.04019	18.5
298.04779	12.0
299.05597	23.9
311.05548	4.2
325.03357	0.7
327.05087	100.0
328.05429	3.0
331.94040	0.5
339.05112	5.1
357.06140	21.6
358.06714	0.8
363.05280	1.1
369.06168	2.1
381.06155	2.5
417.08252	79.1
418.08380	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	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81874	0.3
57.26485	0.2
58.83840	0.3
59.01375	1.5
61.98824	100.0
79.68934	0.3
83.78468	0.3
84.62623	0.3
96.51620	0.3
105.45520	0.3
126.14566	0.3
143.44984	0.3
212.89738	0.3
301.63950	0.3
301.94568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83375	16.6
74.24741	18.2
84.33520	19.2
95.12484	20.2
105.54787	22.6
142.20827	20.5
145.41068	20.8
212.33850	22.0
279.11743	26.6
279.23254	100.0
286.19293	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
61.12350	2.9
71.05023	5.4
77.38436	3.3
89.25719	3.3
92.10194	6.1
95.51817	3.0
99.04598	2.9
109.06599	15.6
113.06104	5.8
122.03746	3.5
123.04505	20.7
123.08120	3.7
127.07676	5.7
135.04497	3.6
136.05238	30.1
137.06062	100.0
142.49989	2.9
147.70563	2.9
151.07623	24.7
155.07114	6.3
165.09180	4.6
175.50500	2.9
185.23833	3.1
193.08737	5.7
197.69724	3.3
281.28577	7.3
341.30573	34.1
351.12057	3.0
419.35284	61.1
461.36865	3.9
479.37332	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	480.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03827	0.5
53.55753	0.5
59.01387	3.1
59.65699	0.6
61.98827	14.0
64.54006	0.5
67.01884	0.5
83.01382	0.9
83.54387	0.5
92.10854	0.9
93.03445	0.7
98.76514	0.5
108.02154	0.8
109.02948	4.6
116.30219	0.5
119.05011	1.2
121.02959	2.6
125.02444	2.2
126.16287	0.5
133.02934	20.0
134.03778	0.9
135.04510	3.2
137.02406	0.9
147.04413	0.8
149.02437	2.2
151.00320	0.9
151.04024	0.7
161.02380	2.2
163.00366	4.3
163.03969	4.8
165.01897	3.5
169.00992	0.6
175.03992	5.4
177.01962	1.0
179.03502	0.7
191.03535	2.3
191.05603	2.9
193.01375	2.3
199.04050	1.0
201.01955	2.2
211.07584	0.6
212.04874	0.6
213.05577	1.0
225.05588	1.1
227.03503	0.8
240.04295	1.2
241.05013	1.1
253.05098	2.3
255.03008	1.2
255.06598	2.3
256.03644	0.8
269.04675	1.1
284.03226	14.4
285.04010	12.5
289.91595	0.5
297.04031	24.6
298.04813	14.9
299.05566	23.3
309.04230	0.6
311.05585	5.2
324.02905	0.8
325.03497	0.8
327.05093	100.0
328.05399	0.8
339.05060	6.2
341.06451	1.0
357.06158	33.3
358.06369	0.7
369.06302	1.1
381.06195	2.9
417.08282	87.2
418.08517	0.9
460.20242	0.6
481.17075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55199	0.7
53.41870	0.7
57.03464	1.4
59.01368	11.3
61.98828	24.1
62.98503	0.7
63.24979	0.7
63.64960	0.7
65.76765	0.7
67.01888	0.8
71.01404	2.7
71.95290	0.7
73.02946	1.0
78.95892	0.8
79.05537	1.0
79.32205	0.9
85.02940	1.4
86.72302	1.0
93.03448	1.7
99.04489	8.0
101.02428	1.3
106.26706	0.8
109.02933	1.6
113.02425	0.9
119.03474	1.2
121.02938	10.6
121.06586	7.1
135.04523	1.3
135.08125	4.4
137.02368	1.5
149.01302	1.4
149.02429	33.1
150.03166	1.4
151.03966	8.1
159.08119	2.0
161.04543	1.3
163.04077	0.8
164.04749	15.4
165.05539	3.5
173.06073	1.4
177.05589	1.7
185.05977	1.3
186.06810	1.1
191.05605	5.8
196.03764	31.4
196.05542	1.6
203.07109	1.4
205.08658	12.2
216.83304	0.9
217.08647	1.8
241.08553	3.2
241.12335	32.0
255.10252	1.1
269.00864	3.4
273.14954	79.1
285.11356	17.0
299.12802	4.4
313.01538	0.9
317.13940	100.0
318.14078	1.2
359.15082	7.8
415.74814	1.1
419.03903	1.4
479.19528	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	479.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03451	0.7
59.01381	100.0
59.16543	0.2
61.98830	1.8
69.03457	0.3
71.01379	12.6
73.02936	4.3
75.59422	0.3
78.91900	0.3
78.95921	0.4
83.01387	2.3
85.02949	5.3
89.02441	7.7
91.79172	0.3
92.10850	0.8
93.21177	0.3
95.01379	1.9
101.02428	8.0
106.91408	0.3
113.02435	5.3
118.64470	0.3
119.03477	2.5
125.02464	1.3
131.03470	0.4
149.04564	0.3
161.04533	1.5
179.05635	1.5
191.05617	0.7
243.47522	0.3
268.68869	0.3
336.16125	0.3
399.75870	0.3
419.24435	2.0
437.25287	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	479.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69056	0.3
57.03455	0.3
57.09666	0.3
58.56425	0.3
59.01373	8.1
60.99295	0.6
61.98818	4.5
63.19877	0.3
64.12698	0.3
67.01863	0.4
69.03461	0.3
71.01368	4.3
73.02930	0.4
73.14544	0.3
81.03459	0.5
85.02418	0.4
85.02936	13.2
85.03421	0.7
87.00856	2.1
88.98780	3.7
89.02411	2.9
92.10162	0.4
93.03438	5.4
99.00911	0.4
99.04516	0.6
101.02416	2.2
109.02966	2.6
111.04507	1.6
113.02447	0.9
119.03490	0.7
127.03970	2.4
128.35512	0.4
137.02415	0.4
139.03923	0.8
149.06068	6.9
150.03258	0.4
151.00351	0.5
153.01920	0.7
157.12288	0.4
159.04475	1.6
165.05534	0.8
171.02916	0.8
173.02365	0.5
173.04515	2.4
174.03195	0.7
187.03979	7.1
191.05592	100.0
199.03838	0.5
199.13443	0.4
201.01932	1.6
203.12930	2.7
215.03477	7.2
215.06859	0.5
227.07014	0.8
229.08673	1.7
229.12196	0.4
243.06548	3.0
245.03458	0.5
255.06590	0.4
259.09738	2.3
285.03738	0.5
287.09229	22.4
305.10300	0.5
327.05002	0.4
365.18173	5.8
417.08365	0.6
433.24310	2.0
443.15771	0.8
458.20584	0.4
479.15775	1.4
479.25336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51075	0.2
51.88097	0.2
57.03453	0.2
59.01379	7.4
60.99301	0.3
61.98825	31.2
67.01892	0.4
69.03417	0.4
71.01374	4.3
73.02960	0.6
75.00880	0.5
83.01382	0.4
83.05035	0.4
85.02943	14.0
87.00857	2.9
88.98766	0.3
89.02431	2.2
93.03445	4.5
93.64876	0.2
97.02962	0.2
99.00870	0.4
99.04558	0.3
101.02430	1.4
101.56910	0.2
109.02950	1.5
111.04518	1.9
113.02450	1.3
127.04006	4.0
131.03464	0.4
135.04497	0.4
149.04506	0.5
171.02998	0.4
172.05118	0.3
173.04532	1.7
177.01741	0.3
180.48088	0.3
185.06084	2.2
191.05609	100.0
192.05952	0.4
196.05203	0.4
200.04756	0.6
209.06026	3.1
211.04306	0.3
211.07657	7.8
212.04810	0.4
213.05507	0.3
227.03598	0.3
227.07109	0.6
229.08679	1.3
240.04265	2.7
243.03217	0.2
251.18346	0.3
255.06616	12.6
273.07816	0.5
287.09265	2.3
327.05206	0.4
357.05902	0.3
365.18317	0.5
417.08218	0.5
419.19171	1.4
447.13010	2.8
455.32004	0.3
479.09799	0.8
479.15634	4.4
479.21561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0981
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
51.76110	0.4
59.01376	7.5
60.01710	0.8
60.03639	0.5
61.98829	5.1
71.01384	0.6
74.61998	0.5
83.35129	0.6
85.02979	0.8
89.02434	0.9
92.10949	0.7
93.03424	1.0
108.02153	0.9
109.02943	28.5
132.02206	1.0
133.01942	1.2
133.02933	27.3
135.00870	0.7
140.54430	0.5
145.02962	1.0
146.53886	0.7
153.33586	0.6
159.00865	7.7
163.03957	2.6
173.02367	1.1
175.03960	0.8
191.05611	6.1
199.04002	0.8
200.01295	0.6
201.00116	1.2
201.01949	30.5
202.99872	43.3
221.06061	1.3
235.04129	1.0
237.05566	3.5
239.02975	0.6
247.03851	0.8
248.04700	1.2
249.05540	1.0
250.02521	0.8
251.03438	0.9
263.03412	0.8
264.04358	0.8
265.05002	3.9
266.02258	0.8
267.02924	1.3
269.04556	1.2
281.04492	3.1
282.05228	2.5
291.03061	1.2
292.03842	1.0
292.79941	0.6
293.04593	14.1
295.02420	5.7
309.04074	6.3
310.04834	10.7
311.05353	0.8
319.02448	1.3
325.07111	5.6
337.03564	78.6
338.03778	1.2
355.04587	0.7
369.06140	100.0
370.06418	2.3
405.06085	0.7
419.25589	1.2
455.86197	0.6
479.09906	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	479.0982
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
59.01381	9.0
60.99301	1.2
61.98833	13.1
65.00309	0.9
70.37389	0.5
71.01379	3.5
73.02929	0.8
78.95909	1.1
81.03439	0.8
85.02966	3.5
87.00877	0.6
88.98792	9.3
89.02452	2.3
93.03445	4.4
94.65885	0.5
101.02448	1.2
108.02161	3.2
109.02944	100.0
113.02435	1.0
115.01909	0.8
117.03442	1.0
131.01392	0.7
133.02939	22.8
134.03700	0.8
135.00835	0.6
135.04448	1.0
137.02432	1.2
145.02968	0.8
149.02518	1.1
150.03247	0.7
151.03944	0.7
159.00879	6.8
161.02489	3.8
163.00336	1.3
165.05551	3.4
173.02460	0.8
173.06139	0.6
175.00357	0.7
175.03955	1.1
177.01927	2.9
191.03821	0.9
191.05592	21.7
191.79271	0.5
193.06593	0.6
199.03987	2.3
201.01913	13.4
201.05690	1.0
202.99866	37.2
203.01764	1.3
210.60010	0.5
219.04433	0.6
225.05563	1.1
227.03488	2.7
237.05609	1.1
241.04968	0.7
251.03415	1.3
253.04924	1.0
255.02957	0.9
264.03949	0.7
265.04999	2.8
269.04532	0.8
281.04413	2.3
282.05313	0.8
285.03970	3.7
293.04620	4.1
295.02435	3.3
297.04080	8.4
309.03958	6.2
310.04907	3.8
311.05533	6.0
316.09402	0.6
317.09045	1.0
319.02490	1.1
325.07312	2.6
337.03549	74.4
338.03815	0.8
369.06137	69.6
370.06345	1.0
405.06158	2.9
447.07007	2.1
479.09818	59.1
479.15265	2.6
479.31778	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0823
Annotation	Gossypin
Peak:m/z	Relative Intensity
59.01370	22.9
61.87819	1.6
61.98832	3.3
62.83729	1.7
63.02382	3.3
65.00320	4.3
67.19687	1.9
69.03407	1.8
71.01376	11.3
72.99292	2.1
78.31092	2.2
83.01386	12.2
85.02934	4.3
87.00867	4.4
88.98793	8.0
89.02435	9.1
93.03447	7.5
95.01392	8.8
96.95989	13.1
97.02959	2.4
99.00868	2.5
101.02437	3.6
107.01379	17.4
108.02150	14.3
109.02943	100.0
111.00884	3.4
113.02457	2.7
123.00920	14.3
123.04519	14.5
124.01630	10.2
125.02409	18.0
133.02917	3.1
135.00861	10.7
135.04466	3.2
137.02423	4.3
147.00952	2.4
151.00348	60.4
152.01135	3.6
153.01927	72.9
161.02419	11.0
161.04533	2.7
163.00369	67.4
163.03944	3.6
169.01392	3.8
177.01901	3.9
178.99866	28.2
189.05360	2.4
190.99876	8.7
191.05588	33.7
203.03430	2.5
206.99396	16.7
211.04068	3.4
213.02023	2.3
217.05003	2.3
227.03505	14.9
229.08708	2.6
255.02887	10.3
271.02411	4.5
272.03922	2.2
272.06894	15.5
287.09244	42.4
289.07156	2.2
298.01157	2.1
299.02026	16.1
315.07150	2.6
317.03064	41.3
317.06604	6.8
317.10168	34.9
341.05148	4.3
444.93246	2.1
461.07083	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	479.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84219	0.6
53.96071	0.6
57.03443	10.7
59.01388	3.2
61.98823	0.8
63.18321	0.5
65.00323	1.5
68.57620	0.5
71.01379	3.2
75.00869	0.7
81.03453	0.7
83.01385	6.9
85.02427	0.6
85.02935	3.9
86.10678	0.7
86.20530	0.6
89.02410	0.8
92.64725	0.8
93.03442	0.8
96.95989	17.9
96.96906	0.8
107.01389	3.8
109.02951	3.4
113.02429	5.1
121.02909	1.2
123.04515	4.4
125.02422	100.0
126.02755	0.8
133.73929	0.6
137.02380	2.4
139.03934	0.8
147.04544	1.3
149.02434	6.9
150.03214	2.8
151.00327	12.2
151.03995	7.0
152.01117	5.2
153.01918	12.9
162.06857	0.6
163.00323	0.9
169.01396	1.1
171.04486	1.2
173.89743	0.6
174.03201	3.2
175.02438	2.7
175.03958	23.7
177.01910	20.4
177.91489	0.6
178.99825	11.0
181.01437	1.5
185.05945	0.7
187.03960	0.8
188.04794	3.2
188.24889	0.7
189.05557	4.8
191.05594	3.0
193.05098	1.4
197.06071	0.8
199.04008	12.8
201.01932	4.1
205.59642	0.8
213.05493	1.2
216.04318	1.1
217.05081	12.2
241.05037	7.8
243.03043	1.3
257.04538	0.8
259.06042	3.1
275.05652	5.5
285.04037	60.1
303.05090	63.5
479.08496	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	479.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15514	0.6
56.51413	0.5
57.03444	11.8
59.01369	4.7
65.00328	1.3
71.01372	6.3
73.02955	0.8
81.03443	0.7
83.01357	6.7
85.02925	6.5
87.00882	1.0
89.02436	1.0
93.03456	1.3
95.01370	1.1
96.95990	24.6
99.00879	2.4
101.02420	2.4
107.01392	4.2
108.02209	0.6
109.02943	3.6
113.02446	7.8
121.02948	1.5
123.04517	6.0
124.01670	1.4
125.02426	100.0
129.01924	0.6
133.02861	0.7
135.04523	0.6
137.02460	2.6
139.04005	1.4
146.03716	0.9
147.04550	1.3
149.02434	7.8
150.03215	3.6
151.00360	11.9
151.03995	7.0
152.01115	5.1
153.01935	11.0
157.06631	0.6
161.02435	0.6
161.04541	6.3
161.05928	1.9
163.00365	2.5
163.04031	1.1
169.01372	1.1
171.04442	0.9
173.04637	0.7
173.06082	0.8
174.03180	4.1
175.02451	3.5
175.03961	23.3
177.01909	21.4
178.99857	12.1
181.01402	1.0
185.05978	0.7
188.04752	3.2
189.05534	6.4
191.03841	1.0
191.05557	8.0
191.07011	0.8
193.05037	2.6
199.04016	12.5
201.01866	3.6
213.05571	2.6
216.04214	1.1
217.05049	13.4
219.03110	0.9
231.06691	1.1
241.05063	10.7
242.02200	0.7
243.02986	1.4
257.04547	1.2
259.06158	4.6
273.04129	2.5
275.05521	5.9
285.04031	61.1
303.05093	70.1
304.05493	0.7
479.08163	6.0
487.75418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25601	0.1
54.64221	0.1
56.98995	0.1
59.01373	2.9
60.01716	0.3
61.01800	0.2
61.98823	100.0
66.09374	0.1
71.01374	0.4
75.96999	0.1
76.21393	0.2
82.33985	0.1
89.02438	0.2
101.02452	0.2
109.65995	0.1
113.59355	0.1
130.34007	0.2
171.19194	0.2
191.05600	1.0
215.50638	0.2
296.02811	0.4
308.01001	0.2
418.24918	0.3
477.65390	0.2
478.08807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44297	0.2
59.01376	6.6
60.01705	0.5
61.98823	100.0
69.15082	0.2
71.01372	1.5
73.02981	0.2
85.02963	0.4
87.04508	0.3
89.02453	0.4
101.02438	0.6
118.18790	0.3
119.05006	0.6
135.04424	0.3
163.03999	0.4
175.62837	0.2
191.05609	0.4
262.89737	0.3
270.31842	0.3
362.24146	0.3
417.24594	0.4
418.25046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65697	1.0
65.13310	1.0
65.14795	1.3
68.14915	1.4
72.93053	1.3
78.95889	21.2
86.22894	1.3
92.10899	3.1
124.23273	1.1
124.54621	1.3
140.01195	6.0
152.99545	2.5
196.03818	9.6
214.04636	2.4
281.24847	100.0
282.25021	1.5
348.41556	1.4
351.08426	1.4
478.29285	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	479.0825
Annotation	Gossypin
Peak:m/z	Relative Intensity
54.42637	2.1
57.03465	3.0
59.01362	23.0
65.00332	10.7
71.01387	13.3
83.01401	6.0
85.02966	5.0
86.75883	2.7
89.02436	4.6
92.10815	11.0
93.03454	3.9
95.01362	9.7
96.95998	16.6
101.02406	3.5
107.01369	29.1
109.02940	53.2
113.02435	4.3
123.00885	2.8
124.01630	4.9
125.02424	21.0
135.00858	10.5
135.04518	3.0
149.04654	3.5
151.00346	100.0
152.01161	14.7
153.01932	10.8
154.12379	2.6
161.02423	4.7
163.00342	70.1
163.04080	2.9
169.01411	4.7
171.04472	3.3
173.04642	4.6
175.03964	5.0
177.01952	4.1
178.99852	74.7
183.04552	3.5
186.21152	3.2
187.04015	6.5
188.04816	2.7
189.01967	3.5
189.05472	3.5
190.99854	28.0
191.05589	32.7
199.03999	6.1
203.03464	3.6
206.99356	4.6
211.03973	15.6
227.03549	33.9
231.02982	5.1
243.02808	5.4
245.04605	5.1
255.02937	34.6
271.02463	5.4
276.61069	2.9
285.04089	5.3
289.03476	4.2
298.01028	3.4
299.01987	32.9
303.05069	12.2
317.03021	30.4
353.05115	13.5
393.39999	3.3
435.50772	3.1
451.08960	10.7
461.07220	21.0
479.08115	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.3
59.01383	9.9
59.44345	0.2
60.01716	1.1
61.01794	0.5
61.98833	100.0
71.01386	2.4
73.02955	0.3
82.06277	0.3
83.01357	0.3
85.02959	1.7
89.02448	1.7
92.10140	0.5
93.03451	1.6
99.00848	0.5
101.02454	1.3
109.02965	0.4
111.98641	0.3
113.02397	0.5
119.03419	0.3
119.05070	0.3
123.04443	0.4
135.04501	0.6
156.62340	0.3
161.02283	0.4
161.04597	0.3
165.72513	0.3
173.04607	0.3
185.11877	0.3
191.05602	6.9
231.06792	0.3
283.06174	0.4
311.05701	1.1
341.06506	0.3
415.10205	1.1
415.19482	0.4
418.24951	1.1
479.09802	0.4
492.53992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16156	0.1
56.86737	0.1
59.01375	2.8
60.01690	0.2
61.93607	0.1
61.98824	100.0
63.80102	0.1
66.96231	0.1
69.35075	0.1
71.01384	0.6
80.29369	0.1
89.02428	1.0
92.10867	0.6
101.02423	0.3
106.85966	0.1
113.02381	0.2
119.03448	0.2
123.53140	0.2
124.70930	0.1
145.03023	0.2
191.05560	0.8
328.76761	0.2
382.08490	0.2
418.25275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
59.01377	100.0
61.23143	1.7
61.98840	2.6
66.79375	1.5
71.01370	49.4
73.02938	9.8
83.01389	4.2
85.02941	14.3
89.02435	26.7
95.01360	3.4
101.02419	27.4
113.02457	15.6
119.03473	11.9
121.43703	2.0
133.02907	2.0
149.06044	2.1
161.04558	15.4
179.05507	6.5
229.17793	2.1
255.19553	3.6
302.53757	2.0
342.30481	1.9
398.58521	2.0
417.24893	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12105	0.8
59.01376	100.0
64.42469	0.9
65.86611	0.9
79.13087	0.9
85.20190	1.0
92.88271	0.9
114.45174	1.0
144.63980	1.0
182.65039	1.1
227.04192	1.0
241.21773	1.0
333.73032	1.0
356.18381	1.2
411.22833	1.1
477.37805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03431	1.6
58.26573	0.8
59.01375	100.0
71.01370	27.9
72.99303	1.2
73.02928	9.1
75.00861	1.2
83.01366	4.0
85.02934	12.6
87.00866	5.7
89.02435	14.9
95.01385	1.3
99.00848	2.3
100.74269	1.1
101.02424	23.3
105.01958	1.6
105.04961	0.8
108.82267	1.1
112.74751	1.0
113.02436	11.9
119.03474	6.1
132.80820	0.9
142.51726	0.9
143.03409	1.0
159.03023	1.0
161.04549	15.7
165.12805	0.9
179.05594	5.5
183.13870	5.4
188.32643	1.0
267.07263	5.7
417.24973	48.8
418.25070	1.3
477.19446	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24834	0.9
55.01888	1.5
57.03448	1.0
58.37764	0.9
59.01376	100.0
61.86998	1.1
71.01373	28.5
73.02953	5.9
83.01382	5.0
85.02955	11.4
87.01408	1.2
89.02424	21.9
95.01368	1.1
99.00889	2.3
101.02425	20.8
108.31992	1.0
113.02458	14.7
119.03484	6.5
158.84831	1.2
161.04605	10.7
179.05586	2.5
255.19618	2.4
396.99725	1.3
417.24945	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47916	0.2
54.18804	0.3
55.01869	0.6
57.03456	0.4
58.00604	0.3
59.01374	100.0
60.01702	0.5
60.99307	0.7
61.01811	0.3
61.98825	10.4
69.03441	0.3
71.01370	10.7
71.01746	0.4
72.01706	0.7
72.99290	0.3
73.01815	0.3
73.02924	3.9
81.03433	1.5
83.01375	1.2
85.02941	5.1
88.98789	7.2
89.02428	8.3
90.02772	0.6
90.59803	0.3
91.02869	1.6
93.03430	2.3
95.01392	1.1
99.00852	2.4
101.02419	6.7
108.32414	0.3
113.02436	4.3
119.03461	1.5
120.03762	0.3
121.02987	0.3
121.06622	0.3
123.04501	7.9
125.02434	0.4
131.03456	1.1
135.04518	0.6
143.03494	0.6
146.08231	0.5
149.04524	3.0
149.86519	0.3
150.04877	0.5
151.00304	0.6
151.05061	0.4
159.02969	0.5
161.04552	4.6
165.05591	2.2
177.05467	0.4
191.05566	1.6
239.42177	0.3
250.96408	0.3
255.19666	0.4
271.09799	1.5
295.64703	0.3
301.03467	3.1
315.08841	0.6
415.92062	0.3
417.16534	1.9
417.24918	11.3
461.24319	1.1
477.14255	3.2
477.26913	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	477.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03441	0.3
59.01384	100.0
60.01719	0.6
60.99303	0.7
61.01781	0.3
61.98830	4.6
64.33137	0.3
66.53928	0.3
71.01379	10.6
72.01737	0.4
73.02941	3.4
81.03468	0.7
83.01389	1.5
85.02940	4.5
87.00844	0.4
88.98799	6.1
89.02426	6.5
90.02768	0.5
91.02856	0.4
93.03444	0.5
95.01392	0.7
99.00864	1.9
101.02429	7.8
102.02809	0.3
105.08954	0.4
113.02451	4.4
123.04513	4.7
131.03455	0.5
143.03481	0.4
149.04521	2.4
161.04565	4.7
165.05551	0.7
191.05586	1.2
271.09778	1.3
301.03589	1.4
417.16608	2.1
417.24936	10.9
438.93106	0.3
461.24081	0.4
477.13992	2.5
477.27280	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	477.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53682	0.3
54.56476	0.3
57.03443	0.7
57.58243	0.3
58.00579	0.3
59.01375	100.0
59.88885	0.3
68.18913	0.3
71.01369	13.3
72.99287	0.4
73.02934	3.1
82.95450	0.4
83.01379	1.4
85.02937	7.3
87.00906	0.5
88.98787	0.5
89.02434	6.6
92.10817	0.3
93.03432	0.8
95.01376	0.8
99.00860	1.7
101.02426	8.7
107.01342	0.4
109.02935	1.5
113.02436	7.0
119.03469	2.1
121.06541	0.5
123.04458	0.7
125.02473	0.4
127.07642	1.6
131.20055	0.3
143.03459	0.6
149.02448	0.4
151.00333	1.6
151.07660	0.3
153.01961	0.4
159.02943	0.5
161.02472	0.6
161.04544	8.3
165.05574	2.6
171.06604	0.5
178.99840	0.5
179.05508	0.6
191.03636	0.4
191.05608	1.6
205.15195	0.4
250.09874	0.3
255.02959	0.8
271.09641	1.5
280.57111	0.3
283.02396	1.3
299.86359	0.3
301.03476	4.5
417.24945	27.1
477.26846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17826	0.4
54.07508	0.3
57.03437	0.4
59.01376	100.0
59.16570	0.4
60.63087	0.3
71.01371	6.7
71.05812	0.4
73.02956	1.9
83.01392	0.7
85.02933	3.7
88.98807	3.3
89.02430	2.1
99.00890	0.5
101.02431	4.9
107.85098	0.4
108.02145	0.8
109.02928	4.7
113.02425	2.1
125.02483	0.5
135.04503	0.7
152.01109	1.0
153.01932	2.6
159.03024	0.5
161.02435	1.5
161.04489	4.4
167.03430	0.9
171.81985	0.4
191.05615	0.8
315.07025	2.3
402.44144	0.4
417.24921	8.9
477.10245	3.4
477.26904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.14949	0.6
57.68105	0.7
59.01373	87.0
61.42503	0.7
61.92986	0.7
67.01887	0.7
71.01370	10.7
73.02944	3.2
74.06433	0.7
83.01390	1.4
85.02950	5.2
87.00823	0.9
89.02433	2.7
93.03452	1.0
95.01374	1.1
96.95985	20.8
96.96945	0.8
99.00890	1.0
101.02438	5.3
102.44418	0.7
113.02441	3.1
115.03889	0.6
119.03490	1.1
121.02933	14.6
133.05034	2.8
138.01967	5.0
149.32863	0.7
152.41982	0.6
161.04539	10.2
166.06326	100.0
179.03429	0.7
181.08675	85.8
181.72891	0.8
191.05550	1.7
194.54993	0.7
235.08173	8.9
272.46469	0.7
302.35663	0.7
417.17593	9.8
470.51221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07425	3.2
69.32638	3.2
81.81885	3.2
92.10867	8.6
148.31389	4.3
217.76837	3.5
242.28214	4.1
277.21692	100.0
335.19949	3.9
476.35434	4.0
477.26410	4.0
477.35419	5.2
486.91855	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	477.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
61.20790	0.4
69.03468	0.6
71.01381	7.2
73.02941	1.2
78.95895	1.0
85.02953	3.2
87.00877	2.7
89.02460	2.6
93.03402	0.5
95.01398	1.1
96.95999	9.9
96.96966	0.7
99.00821	0.5
101.02434	3.9
108.02171	59.5
109.02945	13.0
111.04485	0.5
113.02444	2.6
116.43374	0.5
116.92843	1.1
123.00871	0.7
123.04491	0.5
135.04541	0.8
151.03911	0.7
152.01137	100.0
153.01924	10.1
161.04565	2.6
163.04022	3.8
179.68195	0.6
191.05605	3.5
222.31624	0.6
315.07245	2.9
477.12466	61.3
478.12708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1402
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
55.97017	0.5
57.03439	0.6
59.01383	16.2
60.00890	0.4
61.98829	3.8
64.93813	0.4
65.00323	5.4
71.01045	0.6
71.01357	3.8
73.02948	0.6
75.52563	0.5
80.70587	0.4
83.01419	0.5
83.05028	0.7
84.72873	0.5
85.02962	1.0
85.94787	0.6
87.43004	0.5
89.00342	0.9
89.02438	1.3
91.01918	0.9
91.69791	0.5
92.10914	1.1
95.01385	1.0
97.02937	4.4
101.02434	1.1
104.87044	0.5
109.02958	0.8
113.02453	1.0
121.02956	4.7
124.01653	2.9
133.02922	0.8
134.03719	31.1
135.04492	13.6
138.03163	0.6
139.04002	3.4
149.06094	5.0
149.99565	1.9
160.01698	2.5
161.02420	2.9
164.01033	0.8
165.01910	29.5
166.02725	1.0
175.03976	1.2
176.01161	0.6
178.02686	5.8
179.03471	2.8
187.04042	0.7
191.03485	2.4
191.05556	3.2
199.03992	1.3
210.01697	11.0
213.05504	0.9
215.03392	0.6
239.03464	2.5
240.04243	0.9
241.05112	3.7
254.05798	1.1
255.06566	2.6
256.07312	1.1
257.04559	2.1
267.03030	2.3
282.05286	7.2
284.00006	0.6
284.03226	2.9
285.04092	10.0
297.07623	11.6
299.05597	14.3
300.06363	26.8
315.08740	100.0
329.84009	0.6
357.03967	0.8
417.24921	3.5
477.14078	6.0
477.31693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
78.95885	5.5
92.10870	1.0
100.74483	0.4
101.74877	0.3
112.82082	0.3
126.89627	0.3
140.01132	2.4
152.99609	0.4
156.85747	0.3
196.03757	0.6
208.17131	0.3
214.04802	2.3
267.85434	0.3
279.23270	100.0
280.23587	1.4
298.12451	0.3
344.15134	0.3
474.85803	0.3
476.27792	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	477.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25290	0.2
52.44104	0.2
55.01875	0.6
57.03441	0.5
59.01376	100.0
60.99296	0.6
63.32480	0.2
65.04496	0.2
65.29696	0.2
68.85992	0.3
71.01369	7.1
73.02944	1.8
81.03441	0.3
83.01392	0.6
85.02937	3.0
88.98785	5.5
89.02422	2.3
91.17747	0.2
91.51423	0.2
92.10787	0.4
95.01372	0.4
96.96004	0.3
97.02921	0.4
97.89036	0.2
99.00908	0.3
101.02420	5.4
108.02164	3.5
109.02940	11.2
113.02450	3.1
123.04572	0.4
125.02454	0.5
133.02921	1.6
135.04501	0.6
138.89496	0.3
151.04016	0.5
152.01143	4.0
153.01930	10.0
159.02960	0.5
161.02443	5.3
161.04524	4.9
167.03510	2.1
179.03452	0.5
191.05632	0.6
315.07217	7.9
332.99405	0.3
417.24994	9.2
477.10339	7.8
477.26816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
59.01384	31.5
61.98814	2.4
71.01369	6.6
77.66546	1.2
85.02942	2.5
87.00880	1.3
88.98788	1.8
89.02414	2.9
92.10803	5.1
93.03448	15.2
94.19492	1.1
98.96371	1.2
101.02451	1.9
108.02130	1.6
109.02910	5.8
113.67872	1.1
117.03450	1.6
119.00787	1.2
119.04981	2.3
121.02938	13.3
121.54211	1.2
124.01626	5.5
125.02419	15.4
125.72317	1.2
132.02119	5.0
134.03757	9.9
137.02400	1.6
139.04004	100.0
141.25777	1.2
145.02922	5.7
146.36255	1.3
149.99605	11.1
150.03270	8.7
151.00330	2.9
153.01897	1.7
160.01651	32.8
161.04553	1.4
165.05524	6.9
168.00630	17.9
169.01424	4.3
175.03992	33.3
187.90089	1.2
191.05560	5.1
192.28807	1.3
193.05035	8.4
199.03999	5.5
215.03458	6.5
227.03476	6.0
242.02174	12.1
243.02946	53.3
257.04529	17.4
270.01636	12.7
271.02475	50.6
285.04013	26.5
286.04703	5.9
299.02017	9.3
300.02542	4.9
314.04321	50.7
315.05081	8.0
325.14438	1.4
327.04959	1.9
331.06708	5.1
337.09271	31.3
417.24600	2.9
477.10333	91.3
478.10254	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01373	100.0
61.79118	0.3
68.02502	0.3
70.65183	0.3
71.01369	7.3
73.02930	1.5
83.01382	0.5
85.02943	2.8
89.02431	3.2
92.10806	1.1
93.03456	0.4
101.02425	4.0
107.48434	0.3
113.02432	2.8
119.03479	1.4
126.06783	0.3
137.02396	0.6
152.48767	0.4
155.15369	0.4
161.04527	4.8
179.05605	0.8
182.57050	0.3
203.31433	0.4
313.03796	0.3
345.19098	3.7
415.23398	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83321	0.9
55.01900	1.4
57.03462	0.9
58.99443	0.8
59.01382	100.0
61.98839	2.4
69.97316	1.0
71.01381	13.2
72.57733	0.9
73.02945	6.0
83.01401	1.4
85.02951	9.4
89.02431	1.6
96.96005	1.2
99.00858	1.5
101.02427	12.7
111.56182	1.1
113.02455	6.7
161.04578	9.0
191.05586	1.9
256.43137	1.1
374.04248	5.5
402.03873	2.2
404.92468	1.3
415.23160	10.2
445.58337	1.2
448.30554	1.2
475.06985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00526	0.2
58.47872	0.2
59.01384	0.5
60.52739	0.2
62.96375	0.2
64.78835	0.2
76.55691	0.2
78.95891	24.2
92.10823	0.5
94.01682	0.2
105.67359	0.2
109.50531	0.2
121.02038	0.2
122.00140	1.0
140.01180	7.8
152.99574	2.0
196.03790	10.2
204.45016	0.3
214.04863	2.0
261.22128	0.4
279.23276	100.0
280.23590	1.3
280.26694	0.2
423.92508	0.2
476.27832	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70163	0.3
55.01867	0.7
57.03440	0.5
59.01374	100.0
59.10411	0.3
60.01649	0.3
61.12741	0.3
62.59872	0.3
71.01369	10.9
73.02926	2.9
75.48203	0.3
83.01369	1.2
85.02939	4.6
87.00878	0.5
89.02422	6.1
92.10170	0.8
95.01357	0.4
99.00874	1.4
101.02421	7.4
113.02440	5.6
119.03460	3.1
159.03050	0.7
161.04541	5.2
179.05579	1.5
191.05638	0.6
243.23296	0.4
258.55377	0.4
311.36353	0.4
325.24408	0.4
335.39218	0.4
415.23352	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	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12518	0.4
54.81315	0.4
59.01376	100.0
68.74137	0.4
71.01368	8.1
73.02905	0.4
74.01664	0.4
85.02932	2.2
87.00839	0.6
89.02425	8.0
101.02421	4.1
109.44279	0.5
113.02432	3.1
119.03478	3.8
137.02409	2.8
141.10541	0.4
161.04520	2.4
179.05560	2.5
209.58362	0.5
415.23495	3.9
499.72705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06116	0.2
52.05120	0.3
53.20563	0.2
55.01876	0.3
57.03432	0.3
58.00598	1.1
59.01375	100.0
61.98856	0.3
62.54025	0.2
67.01379	0.2
71.01371	15.1
72.18160	0.2
72.99295	0.6
73.02934	1.2
83.01369	0.6
85.02936	3.9
87.00852	0.5
89.02428	19.1
95.01386	0.6
99.00883	0.5
101.02423	7.7
101.03447	0.3
104.65360	0.2
113.02432	5.5
118.05918	0.3
119.03474	6.6
123.32497	0.3
143.03447	1.2
149.04517	0.4
150.58827	0.3
161.04535	3.0
179.05598	5.8
277.36520	0.3
406.41452	0.3
406.48691	0.2
415.23404	4.1
499.33264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0882
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
57.03463	2.4
59.01375	23.5
63.02392	0.3
67.01922	0.4
68.99825	0.5
71.01369	11.9
72.99306	1.8
73.02962	0.9
73.43827	0.3
75.00860	3.4
83.01385	1.5
84.02154	0.4
85.02940	17.6
87.00882	2.6
87.85233	0.4
88.98785	0.6
89.02432	3.5
92.28606	0.3
93.42737	0.4
95.01360	4.8
95.86317	0.3
96.38592	0.3
99.00862	5.4
101.02460	1.7
103.00381	1.9
107.01403	1.6
113.02436	20.3
115.00363	0.5
117.01949	2.4
119.03440	0.5
128.89552	0.4
129.01950	0.7
132.16846	0.4
133.02989	0.6
134.03741	1.3
135.04541	0.9
136.32037	0.4
139.19078	0.4
151.00371	2.4
157.01375	0.5
158.08141	0.4
175.02446	5.8
191.03616	0.4
191.05634	0.7
199.46931	0.4
211.03934	0.6
227.03499	1.7
249.59627	0.4
255.02991	0.8
256.03769	7.3
283.02426	1.5
284.03259	100.0
285.03720	2.5
288.35684	0.4
299.05609	74.6
300.05957	1.5
401.30844	0.4
415.23233	2.2
475.08725	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	475.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44976	0.2
59.01369	0.3
59.91460	0.2
71.01371	18.9
72.99287	4.6
77.63070	0.2
78.95895	0.2
85.02927	1.0
87.00863	0.9
89.02431	2.7
115.00352	58.3
127.03941	0.3
132.03047	0.2
133.01410	100.0
134.01816	0.3
191.05608	9.9
207.19398	0.2
274.90683	0.3
406.62082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12332	0.9
55.01883	9.2
57.03450	5.2
58.00600	1.0
59.01374	79.2
60.21013	0.8
66.43528	0.8
71.01370	70.8
72.99300	0.9
73.02932	32.0
75.00868	0.9
78.43133	0.8
83.01379	13.8
83.05087	0.9
85.02939	45.9
87.00856	2.0
89.02436	14.3
93.03445	1.7
95.01375	5.8
96.95982	1.5
97.02953	1.9
99.00858	14.9
101.02424	66.7
102.98598	1.2
109.02941	2.0
111.00864	1.3
113.02436	35.4
125.02398	3.6
129.01939	1.3
131.03464	1.2
133.02914	0.8
135.04492	1.2
137.02425	1.1
142.85233	0.9
143.03447	2.0
149.04504	1.1
159.03096	6.4
159.04158	0.9
161.04527	32.1
161.05815	1.4
167.03477	1.0
177.01959	1.6
189.02016	0.9
191.05586	10.8
283.11844	100.0
415.16095	87.5
415.22189	1.9
415.23642	1.1
416.16492	1.9
448.71091	0.9
458.64304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3632
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
54.81274	0.2
57.03441	0.3
59.01363	0.4
59.05339	0.1
59.67280	0.1
62.64180	0.1
64.47187	0.2
70.03004	0.2
71.05002	2.9
71.63735	0.1
108.88975	0.2
139.71046	0.2
176.32622	0.2
277.96790	0.2
305.67996	0.2
323.49655	0.2
409.34686	1.4
411.32629	1.8
413.34204	7.0
427.32269	0.2
473.36398	100.0
474.36938	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	473.3638
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
50.53498	0.4
59.01372	1.7
60.99329	0.4
71.05046	0.4
74.87856	0.4
92.10753	0.5
114.37276	0.5
170.32222	0.4
247.85164	0.5
301.38971	0.5
303.26480	0.4
395.29410	0.5
411.32700	3.9
429.34164	0.4
473.36475	100.0
474.36932	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	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90593	0.5
59.01381	1.3
65.35307	0.6
71.05015	0.6
105.62483	0.5
116.69453	0.5
172.11499	0.5
177.51982	0.6
359.23938	0.6
411.32919	2.6
429.34375	1.1
473.36597	100.0
474.37057	4.1
474.66251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54913	0.3
54.89926	0.2
59.01372	1.6
59.67417	0.3
61.98811	0.5
66.14407	0.3
66.75240	0.3
70.46961	0.3
78.95891	34.0
91.98271	0.3
92.10890	0.3
95.57360	0.3
122.00085	1.3
124.31686	0.3
140.01167	8.8
152.99565	2.7
153.56615	0.4
166.02760	0.4
196.02045	0.6
196.03786	14.5
197.78372	0.3
203.40155	0.3
214.04846	3.0
219.90324	0.3
233.22746	0.4
259.20599	0.6
277.21689	100.0
278.22009	1.9
280.11630	0.3
369.44675	0.4
474.26294	32.1
474.32864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32047	0.2
54.81678	0.2
59.01381	0.7
62.96394	0.3
78.95887	8.8
92.10136	0.3
96.27114	0.3
138.75085	0.3
140.01170	2.7
148.56886	0.3
152.99527	0.5
157.29256	0.3
168.14259	0.3
189.06642	0.3
196.03781	1.1
214.04843	2.9
238.35225	0.3
259.20587	0.5
275.20038	0.4
277.21704	100.0
278.21982	1.6
411.32956	0.4
412.33102	1.1
413.65942	0.3
473.32944	1.3
474.26227	10.0
474.33136	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74656	0.8
57.03451	0.9
59.01388	5.1
60.99319	1.2
67.01898	6.4
69.03442	1.4
70.45435	0.9
71.01406	1.5
74.94669	0.9
79.95753	1.0
81.03424	1.1
82.00280	0.8
83.09829	0.8
85.02953	6.5
87.00872	8.7
87.04521	1.2
93.03443	41.5
96.95992	100.0
98.95594	1.0
109.02954	1.3
111.04508	7.1
114.05581	6.6
116.92809	1.0
119.04998	1.6
121.02944	22.0
135.04546	1.5
136.93895	1.6
143.98730	0.9
155.03505	1.3
156.06668	2.3
173.04518	30.3
181.05029	4.1
191.05600	83.6
194.17694	1.0
233.06670	2.3
235.92723	0.9
255.64294	0.9
289.16461	1.0
299.53918	1.0
337.09253	2.2
355.10330	30.2
475.05225	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3271
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
52.95150	0.4
53.28849	0.4
53.68436	0.4
53.69546	0.4
57.03438	0.7
59.01378	4.1
61.98827	0.5
71.05008	3.4
82.76436	0.5
107.78310	0.5
130.27432	0.5
167.28203	0.5
189.01895	1.1
191.05609	0.6
313.23984	0.7
333.57016	0.6
355.25092	1.0
359.38623	0.5
393.31320	0.5
395.26074	2.0
413.30637	2.7
415.29324	0.6
455.31744	14.0
473.32748	100.0
474.33075	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79334	0.7
59.01387	1.0
62.89781	0.6
64.33342	0.7
64.66653	0.7
71.05014	5.2
97.06586	0.9
121.06587	3.6
123.08184	5.4
138.44949	0.8
157.40900	0.7
161.45366	0.7
212.82852	0.8
265.18167	0.7
289.18091	1.3
305.21365	1.3
315.68060	0.8
328.55359	0.7
371.25848	1.2
377.28534	2.9
379.30255	5.7
381.31598	1.4
391.30063	2.8
393.31708	10.7
409.31311	1.3
421.27814	1.0
423.28848	1.4
427.32364	6.5
455.31888	7.6
473.32742	100.0
474.33347	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	473.3272
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
55.01862	1.1
55.66922	0.8
55.91343	1.0
57.03460	0.9
58.95660	0.9
59.01393	4.8
61.98835	1.2
65.97410	1.0
67.56576	1.0
71.05021	48.1
72.22227	0.9
73.10928	1.0
74.51324	1.1
83.05045	2.1
85.06648	1.1
91.60982	1.0
97.06563	8.5
121.02981	1.3
121.06568	8.4
123.08140	18.7
133.06587	1.3
135.08177	5.3
137.09714	2.5
169.24567	1.1
205.15973	4.5
229.15988	2.5
236.07185	1.1
265.18045	1.5
271.17062	2.6
275.20123	2.3
287.20096	4.2
289.18192	6.8
305.21289	7.9
319.24548	9.3
335.23895	1.2
337.25629	2.7
355.26288	2.1
367.26514	2.4
371.25864	2.0
379.30194	5.6
383.26141	1.9
389.27481	1.6
393.27673	1.6
393.32144	2.5
401.27319	2.0
409.31314	2.5
421.31537	4.0
422.28345	1.4
423.32788	15.2
427.32605	1.5
437.30753	5.4
439.32169	36.1
441.33664	28.0
455.31680	38.7
469.29626	1.3
473.32813	100.0
474.33673	2.0
483.30972	16.9
485.32602	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	473.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34904	0.7
57.03443	0.9
59.01383	1.8
59.02157	0.8
78.95891	4.4
85.04106	0.8
124.48411	0.8
131.74406	0.8
158.81895	0.9
226.22258	0.9
241.81633	0.9
299.00754	0.9
374.47220	0.8
381.31677	1.2
411.32764	7.9
427.32425	1.1
429.33768	1.8
430.91309	0.9
434.21542	0.9
455.31836	8.2
473.32697	100.0
474.26352	3.1
474.32971	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3634
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.03442	4.4
59.01376	0.9
63.29867	0.8
64.60947	0.8
69.46796	0.7
71.51880	0.8
72.05595	0.8
72.22240	0.9
92.10835	2.8
110.38471	0.9
125.09751	1.9
145.24571	0.8
343.26270	9.3
345.28000	10.0
413.34485	1.2
422.80505	1.0
473.36368	100.0
474.36588	2.1
489.06531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3635
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
53.77138	0.2
57.03458	4.6
57.18567	0.3
59.01425	0.3
60.45117	0.2
60.64017	0.3
67.62959	0.3
87.43351	0.3
92.10165	0.6
97.36151	0.3
104.91658	0.3
125.09701	1.7
210.75688	0.3
249.56746	0.3
315.23129	0.5
343.26379	7.6
345.27945	10.8
346.28046	0.3
355.26566	2.1
389.26901	0.6
413.34235	3.0
473.36316	100.0
474.36734	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	473.2905
Annotation	candelalide B
Peak:m/z	Relative Intensity
51.94860	2.7
54.79472	2.9
57.03447	6.0
59.01376	22.0
62.00363	2.8
67.40760	3.0
68.61937	2.9
71.05025	14.6
82.43935	3.4
83.05039	4.2
93.03465	2.9
191.05597	4.8
250.92220	3.1
341.20370	3.0
389.05707	3.7
395.26071	4.0
413.26996	7.7
455.32269	4.9
473.28473	100.0
473.65131	3.8
482.10248	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	473.327
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.79066	0.4
57.03433	0.6
59.01389	4.9
64.95049	0.4
65.90317	0.4
92.10155	0.6
103.86406	0.5
181.07057	0.5
212.05069	0.5
235.50072	0.5
379.29956	1.9
381.31812	0.6
391.29849	0.8
392.93695	0.6
393.31549	2.8
395.29489	2.7
409.31067	2.7
411.32837	8.1
427.32199	6.0
429.33707	2.8
443.13647	0.6
443.31516	2.7
455.31714	2.7
473.32703	100.0
474.33188	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	473.3271
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01381	1.1
69.35120	0.3
69.63419	0.4
71.05012	2.0
75.56555	0.2
76.89188	0.3
83.05033	0.4
84.04077	0.2
86.76463	0.2
114.76670	0.3
122.48430	0.3
135.61044	0.3
183.69615	0.3
194.04701	0.3
215.12677	0.3
224.91846	0.3
277.21527	0.4
287.61090	0.3
319.65356	0.3
367.29620	0.3
369.31384	1.3
393.31705	0.4
411.32779	6.0
413.30368	1.9
429.33731	8.7
455.31635	3.2
473.32452	100.0
474.32706	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	473.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26575	16.3
59.01369	23.5
107.87541	16.3
149.24431	15.1
225.36664	15.9
277.21701	27.3
308.79959	15.4
345.71680	16.8
473.36121	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	473.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01346	16.8
50.03860	16.7
52.49622	21.1
55.42063	16.7
61.98824	24.6
94.59156	23.1
102.78267	19.5
103.94143	18.5
120.26781	19.6
164.65808	21.6
195.33746	21.6
391.18805	24.1
472.34988	41.9
473.35574	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	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35724	0.4
57.03448	4.6
59.01377	77.6
61.98827	2.9
64.69114	0.5
69.03452	3.8
71.01381	4.4
71.05029	1.3
73.02969	0.6
85.02924	2.0
89.02412	0.6
91.94920	0.6
92.10233	0.9
99.04512	10.7
99.08150	1.0
101.02432	1.2
113.02423	2.5
127.07629	0.8
135.04489	2.6
137.06038	2.4
139.11290	0.9
145.08664	5.6
161.04492	0.7
163.11330	0.7
181.05086	4.4
181.12263	0.7
183.10202	1.0
191.05531	2.9
193.12341	1.1
251.16522	100.0
252.16656	1.1
284.56625	0.5
381.10947	0.6
473.23459	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76460	0.3
54.46455	0.4
55.22471	0.4
56.35962	0.3
59.01376	100.0
61.98837	0.3
71.01371	3.7
72.04102	0.4
72.99265	0.3
73.02946	1.6
76.55873	0.4
85.02952	0.9
88.16766	0.3
89.02445	0.9
92.10165	0.5
99.04475	0.4
99.23168	0.4
101.02448	1.8
113.02431	2.1
115.23260	0.5
119.03510	0.5
137.09703	1.8
158.90262	0.3
161.04565	0.4
189.16449	1.7
191.05515	0.6
207.17337	0.4
251.12820	2.0
251.16519	34.9
275.16541	0.6
290.27390	0.4
293.17566	0.6
434.65341	0.4
453.05219	0.4
473.27542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70420	0.5
57.03433	0.5
59.01375	100.0
65.59595	0.4
66.89909	0.5
67.41087	0.4
69.73677	0.4
71.01374	6.0
77.66488	0.4
78.75832	0.4
85.02930	3.4
89.02409	3.8
93.03426	0.9
101.02444	4.0
109.02929	1.8
111.00813	0.5
113.02425	3.0
119.03466	1.2
135.04488	2.0
136.55640	0.4
138.24544	0.4
156.42891	0.5
161.04512	1.2
173.04666	0.7
175.22229	0.5
179.05598	0.7
189.01962	3.6
191.05609	5.6
217.01537	0.5
234.66042	0.5
251.12927	3.9
251.16454	2.5
279.02625	2.2
321.03778	1.0
363.04865	3.1
397.03760	0.7
413.21878	3.8
471.31537	0.5
473.08307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20973	1.1
55.01872	9.6
57.03456	6.3
59.01378	100.0
61.04214	1.0
65.26486	1.0
65.44179	1.2
71.01377	66.8
72.99313	1.2
73.02946	24.7
73.03320	1.4
83.01383	15.0
85.02949	35.4
87.00886	2.5
89.02440	14.6
95.01415	6.2
97.02966	1.6
99.00890	6.6
101.02435	55.6
107.05048	1.6
113.02449	34.0
119.03470	2.6
121.02793	1.0
125.02414	5.2
143.03523	1.4
159.02968	3.0
160.01555	1.2
161.04541	20.6
167.03481	4.6
191.05598	11.8
191.07088	1.5
227.04803	1.2
235.02507	1.4
269.10339	14.4
279.55276	1.3
299.56354	1.1
345.06201	1.5
421.38785	1.3
431.15518	56.1
473.16675	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	473.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04010	1.6
57.03441	1.4
57.69651	1.5
59.01375	100.0
61.98825	1.5
71.01364	1.4
75.08784	1.6
107.67680	1.6
115.89661	1.8
143.48767	1.6
158.72638	1.6
175.13458	1.7
204.90759	1.5
357.60980	1.7
412.17575	1.6
414.85468	1.7
473.21719	13.9
473.32886	5.9
476.28613	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	473.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.3
57.03445	5.3
57.43040	1.1
58.00616	1.3
59.01382	100.0
60.99313	2.4
64.83940	1.2
66.70020	1.2
69.03467	2.5
71.01376	69.4
72.99299	10.6
73.02937	27.6
75.00846	1.5
75.10863	1.4
78.95909	1.3
83.01378	18.3
84.95138	6.1
85.02938	43.4
85.03417	2.2
87.00870	5.7
88.98808	9.1
89.02440	16.9
92.10772	2.8
95.01382	9.2
96.95991	29.2
97.02920	2.8
99.00880	7.9
101.02423	57.6
109.02960	1.8
113.02437	33.2
119.03474	5.5
125.02401	6.4
135.04532	10.3
137.06018	2.2
143.03520	2.2
149.04506	1.5
152.53410	1.3
159.02983	2.4
161.04544	24.2
162.03212	1.8
179.03487	2.4
191.05598	12.6
192.05962	1.5
197.04501	7.8
201.11269	1.6
209.11722	1.6
269.10330	27.3
271.65240	1.4
311.11252	1.8
359.09698	2.9
413.14359	10.5
431.15530	75.3
432.15488	1.6
473.16690	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	473.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93239	0.2
56.58495	0.2
56.84708	0.2
59.01382	2.5
61.57104	0.3
62.77275	0.2
66.98178	0.2
70.39289	0.2
71.01395	1.2
73.02914	0.4
78.95944	0.3
83.01387	0.4
85.02958	1.0
93.03456	0.5
96.95960	1.7
101.02422	0.3
109.02934	5.0
113.02417	0.4
115.59550	0.2
116.92856	1.1
123.04539	0.4
125.02429	2.8
134.03711	1.4
135.04503	100.0
136.04874	0.6
150.06001	0.3
153.01944	1.0
161.02422	0.4
171.46358	0.3
191.05605	6.5
192.05876	0.3
192.99597	0.6
195.06636	1.1
271.08307	0.4
297.06381	0.6
297.09763	17.9
359.09888	1.6
362.83508	0.3
368.63177	0.3
473.13004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	12-Hydroxyoleanolic lactone
Peak:m/z	Relative Intensity
64.09289	0.6
79.84579	0.7
92.10895	1.6
94.09753	0.6
107.90211	0.7
130.84251	0.8
186.13071	0.6
201.15979	0.7
265.25159	0.8
427.35718	12.7
453.33734	13.1
453.47879	0.7
471.34787	100.0
472.35223	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	471.3479
Annotation	Hispidone
Peak:m/z	Relative Intensity
52.11702	0.3
55.87921	0.2
57.10649	0.2
57.69686	0.3
71.05013	0.5
97.06583	0.5
98.49107	0.3
108.28660	0.3
127.52425	0.3
157.03838	0.4
168.21046	0.3
326.93396	0.3
344.32654	0.3
349.51450	0.3
391.30066	0.5
407.33145	2.9
441.33423	1.4
451.32382	2.6
453.33710	3.1
459.34784	0.4
471.34787	100.0
472.34976	3.5
481.94360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	3beta,22beta-Dihydroxyolean-12-en-29-oic acid
Peak:m/z	Relative Intensity
54.81831	0.5
59.01415	0.4
60.99298	6.6
60.99554	0.4
69.03447	4.5
69.42188	0.4
70.15281	0.4
71.05038	0.5
80.02680	2.8
85.27579	0.4
95.40363	0.5
106.04263	0.5
137.09709	2.6
149.09767	1.1
189.25639	0.4
218.04953	0.4
226.57599	0.5
244.98602	0.5
361.25742	0.6
371.26065	0.6
375.26691	2.8
377.28433	3.1
391.30121	15.7
393.31766	1.0
405.31860	1.6
407.33194	100.0
408.33423	2.0
409.34763	11.9
411.32745	1.9
421.31235	0.6
423.32870	2.7
427.31009	0.7
427.35947	15.8
430.55960	0.4
437.30469	2.1
441.33783	6.9
453.33887	11.7
459.35211	0.7
471.35132	29.5
472.34778	0.5
485.32898	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12098	0.3
59.85464	0.3
68.75279	0.3
68.93915	0.3
95.77220	0.3
122.99339	0.3
129.01270	0.4
160.20100	0.4
163.47026	0.3
312.69101	0.3
372.44669	0.4
375.17960	0.4
393.31833	0.6
423.32477	0.6
448.56488	0.4
471.34775	100.0
472.35263	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47584	0.3
62.25728	0.3
62.89604	0.3
63.39308	0.4
72.20599	0.3
88.89302	0.4
111.25043	0.4
137.02800	0.4
151.57751	0.4
190.75443	0.4
202.15643	0.4
211.22807	0.4
236.08443	0.4
295.73648	0.4
299.49030	0.4
471.34799	100.0
472.35205	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.349
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
51.29486	0.4
62.04853	0.4
159.45880	0.4
181.48314	0.4
226.74078	0.4
368.50470	0.4
471.34781	100.0
472.35147	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31649	0.4
60.99314	1.0
61.04849	0.4
75.24169	0.4
83.05015	1.0
92.10763	1.0
97.06565	0.9
371.99701	0.5
391.30173	1.1
397.31244	0.5
399.32703	1.0
407.33218	13.7
409.31042	4.4
411.32571	4.2
423.33054	1.5
425.34378	5.7
427.35956	3.3
435.62424	0.6
453.33780	0.6
455.20831	0.6
471.34918	100.0
472.35251	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03468	0.4
56.78046	0.3
57.03447	0.7
58.95582	0.4
71.05024	2.5
78.91445	0.3
97.02943	0.8
140.43279	0.4
148.85204	0.4
151.07649	2.1
156.89835	0.4
169.08710	0.4
229.92703	0.4
275.20096	0.5
287.20245	0.6
289.21658	3.7
313.28391	0.5
395.29807	0.7
409.31183	2.7
411.32730	18.0
427.35974	2.6
456.89658	0.5
471.34879	100.0
472.35324	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	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65047	0.3
57.06319	0.3
60.99315	1.7
61.72344	0.3
79.92029	0.3
116.32700	0.4
281.34207	0.4
327.65192	0.4
340.23605	0.4
351.27002	2.9
353.28531	2.8
405.31760	0.5
407.33371	5.0
417.20428	0.5
425.34744	0.5
427.32501	0.4
453.33844	3.3
471.34952	100.0
472.35220	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28388	0.4
77.74934	0.3
92.10812	0.8
101.87258	0.3
122.60577	0.4
136.69279	0.4
205.28958	0.4
405.31177	0.4
453.33618	4.2
469.53677	0.4
471.34787	100.0
472.35056	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	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34718	0.5
60.04719	0.6
100.26659	0.6
110.17681	0.5
111.50350	0.6
236.29008	0.9
323.44220	0.6
361.41077	0.7
407.33130	1.0
427.35846	12.9
428.88504	0.6
453.33728	10.5
471.34790	100.0
472.34888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45784	0.2
59.01374	0.4
60.30234	0.3
63.74361	0.3
64.00764	0.3
64.53254	0.3
92.63435	0.3
110.06718	0.3
124.72932	0.3
175.04265	0.3
262.59067	0.3
264.27798	0.3
290.86472	0.3
319.24634	0.4
321.17380	0.3
345.86505	0.3
374.17868	0.3
439.28925	0.3
439.70053	0.3
471.34827	100.0
472.35294	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83457	0.3
64.40594	0.4
71.05015	0.7
97.06548	4.4
136.94165	0.5
153.25502	0.4
389.28577	2.0
391.30164	5.5
405.31720	5.5
407.33182	10.7
423.29062	0.8
427.34866	0.5
441.33627	2.1
451.32120	12.3
453.33734	46.4
454.33804	0.7
471.34769	100.0
472.35001	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	471.3113
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
56.68199	0.8
59.01384	4.9
61.98829	1.0
71.01379	1.4
71.05022	6.8
73.02938	1.5
76.56229	1.0
78.54472	0.7
82.42440	0.9
85.02956	1.2
86.97022	0.9
87.62083	0.8
101.06084	4.0
110.42852	1.0
111.57954	0.8
111.61330	0.8
216.71814	0.9
250.30403	1.0
294.20016	1.0
311.20032	2.1
323.14566	1.1
323.20346	2.1
341.21335	4.2
371.22403	4.8
387.25507	1.6
395.25876	1.3
407.25986	1.0
423.28983	4.7
425.27118	7.1
441.30075	5.3
453.30014	1.3
471.31165	100.0
472.31268	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3115
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
55.17116	0.6
59.01366	0.8
59.40448	0.5
71.05030	0.9
79.34155	0.6
79.46789	0.6
83.05008	7.7
105.96197	0.6
119.08707	0.6
153.89706	0.6
220.45876	0.7
269.61322	0.6
313.17392	0.8
343.26431	0.9
391.30106	1.2
399.29224	1.3
409.30814	1.6
427.32129	2.7
441.30035	4.3
450.62686	0.7
453.24454	1.1
453.30118	20.6
471.31061	100.0
472.31497	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	471.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01474	0.6
55.10630	0.5
57.03438	1.2
59.01376	1.6
71.05016	6.5
75.17184	0.6
78.83397	0.6
83.05011	9.3
92.10108	1.1
122.13890	0.8
142.08501	0.8
145.02850	3.2
148.48857	0.7
203.82457	0.7
343.26276	1.4
369.24228	1.7
377.28195	1.5
379.29669	3.6
381.23926	1.7
387.25226	4.4
399.25040	2.8
407.29401	1.1
409.31204	11.9
410.17426	0.8
423.28763	1.5
427.31839	2.9
453.30081	20.5
471.30914	100.0
472.31195	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	471.3114
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
54.06225	0.8
55.83327	0.8
59.01366	0.9
61.65862	0.8
71.05013	13.2
92.10062	1.7
93.54877	1.0
101.77068	1.1
108.87233	0.9
173.85889	1.1
189.12746	1.9
257.11755	1.1
309.22244	1.3
321.21881	1.4
393.27994	16.0
409.31082	35.8
427.32245	13.3
453.29712	5.0
471.30829	100.0
472.31110	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	471.3114
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
59.01366	1.2
63.30030	0.7
64.32809	0.9
70.81096	0.6
83.05022	10.6
101.84082	0.8
127.72418	0.7
128.98430	0.8
164.16833	0.8
178.61707	0.8
196.38208	0.8
254.62608	0.8
260.92584	0.9
323.35156	0.8
391.30075	3.4
393.28070	0.9
399.29010	1.4
407.30057	1.0
421.27509	2.6
427.32724	1.2
435.30664	0.9
441.30313	1.3
453.30191	18.1
471.31198	100.0
472.31354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81037	0.2
59.01369	0.2
66.05237	0.1
69.20415	0.2
71.05011	1.2
83.05010	0.2
92.10152	0.5
97.06541	0.2
113.06121	0.2
121.06606	0.3
121.52913	0.2
123.08157	1.3
137.09723	0.2
184.14517	0.2
213.56172	0.2
241.26906	0.3
303.19724	0.4
337.21509	0.2
337.77744	0.2
353.24792	0.3
369.28003	4.0
375.27142	0.2
377.28461	0.4
391.26151	0.2
407.29413	0.4
409.31168	0.9
422.28064	0.3
423.32681	3.6
425.34128	3.5
435.29178	0.7
441.29694	0.2
453.29858	1.9
471.34888	100.0
472.35278	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	471.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72593	4.9
59.01373	100.0
59.01632	6.2
61.98840	29.5
66.66076	4.5
66.71959	3.9
66.95629	4.7
67.71620	3.7
68.72784	4.7
71.01394	19.3
74.20945	4.4
86.37062	4.1
87.00880	7.9
88.98817	7.5
89.02414	7.0
93.03448	7.9
101.02452	7.5
113.02444	7.0
115.00378	10.0
135.04562	6.3
147.04440	6.5
166.37439	4.5
175.02473	17.6
191.05605	41.5
249.14957	5.7
273.20660	8.4
383.09726	5.5
435.22028	7.8
471.19855	41.3
471.25949	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	471.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81402	0.4
55.01876	8.1
55.02094	0.5
57.03440	6.2
58.00589	1.6
59.01373	75.8
61.02957	0.5
67.01896	0.5
67.82508	0.5
68.99807	0.4
69.03459	1.8
71.01369	68.7
71.05023	0.4
71.17787	0.4
72.53238	0.3
72.99308	2.5
73.02930	32.4
75.00873	1.6
81.03442	7.5
82.95403	0.4
83.01376	17.7
83.51755	0.4
85.02936	39.6
86.00092	1.8
87.00875	4.5
87.66340	0.4
88.98793	2.6
89.02425	12.6
89.02950	0.5
89.93839	0.4
90.71317	0.4
91.64040	0.4
93.03452	2.4
95.01370	6.2
95.05016	2.3
97.02927	4.3
99.00863	13.2
99.04496	4.3
101.02422	74.8
108.02136	0.5
109.02943	4.6
111.00854	1.9
111.04539	0.6
113.02436	31.0
115.03943	0.6
119.03497	1.5
123.04504	14.0
125.02428	19.1
129.01913	2.1
131.03455	1.7
133.01387	0.5
133.02945	5.2
135.04501	2.3
137.02441	2.8
139.03976	0.9
143.03471	2.9
149.02411	1.6
149.04503	0.9
153.01976	0.4
159.02963	6.8
161.02484	0.8
161.04546	23.9
165.01968	0.5
167.03481	32.0
173.04460	0.7
174.71135	0.4
177.01926	0.8
179.03487	0.5
187.09755	0.6
191.05592	7.9
193.01436	0.7
197.04536	6.3
208.03813	0.5
229.08655	11.2
233.06767	1.5
235.02483	4.2
239.05560	0.7
255.06705	2.8
257.06668	3.2
265.03595	0.8
273.07562	3.3
279.14462	100.0
293.08847	0.4
323.13608	0.7
325.05615	0.7
327.05106	0.5
345.02435	0.7
345.06210	8.7
349.18692	2.6
375.06992	1.6
391.19543	3.1
411.18707	92.3
412.18991	0.5
435.08539	3.4
435.13922	10.4
471.10928	0.6
471.16708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
56.61955	0.8
56.81781	0.7
57.03453	1.7
59.01376	100.0
60.99301	1.5
61.03855	0.7
61.98820	0.8
64.13531	0.7
69.03458	0.8
71.01372	20.4
73.02936	9.8
82.95415	4.6
83.01379	1.7
83.85503	0.9
85.02946	10.5
88.98792	10.7
89.02434	5.7
93.03447	6.1
95.05015	1.2
97.02894	1.5
99.00869	1.1
101.02426	11.3
109.02950	1.3
109.06544	0.8
111.04487	1.1
113.02435	8.9
118.40755	1.0
119.03535	1.2
119.05003	5.6
123.04501	1.2
123.08176	1.1
124.01683	1.0
125.02429	1.8
127.11293	0.9
134.03659	1.4
135.04509	4.0
136.05220	1.5
137.02399	4.5
138.06853	12.7
139.07571	1.3
142.71521	1.0
149.06076	1.6
151.07660	9.5
152.08405	18.4
153.09209	41.4
160.01645	3.6
161.02435	3.2
161.04495	3.7
161.09863	1.1
163.03967	4.0
168.00606	1.8
175.03973	4.0
176.04749	1.5
182.43159	0.9
189.07407	0.8
190.09932	1.1
191.05624	17.0
191.07166	2.3
193.05074	4.2
199.93744	1.0
205.12317	15.8
223.13409	6.7
224.46519	0.9
235.06082	5.1
265.07388	1.5
295.08322	1.4
309.12146	1.2
343.04489	0.9
367.17563	27.0
385.18671	6.7
416.72107	1.0
427.19595	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	471.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98833	9.1
71.01359	17.8
71.73468	1.7
80.91683	3.3
83.05009	2.9
85.02946	3.8
87.00861	3.7
89.02437	10.5
92.10152	3.5
92.60049	2.0
93.03447	3.9
101.02438	8.7
109.02985	2.4
109.30915	2.0
113.02453	4.8
119.03481	2.3
120.26669	2.2
135.04492	22.2
141.99107	1.9
147.04486	2.2
149.21997	1.8
155.08665	8.3
171.11774	35.2
172.35475	2.1
173.04431	2.6
189.12830	17.6
191.03632	2.6
191.05591	20.5
207.13921	3.4
249.14928	19.9
273.20786	8.8
278.19696	1.8
374.06284	3.2
411.19925	2.3
435.22403	3.8
468.23672	2.1
471.20157	2.5
471.26465	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	470.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08421	1.4
56.75629	1.6
59.30951	1.6
61.98827	100.0
61.99140	3.3
63.10922	1.6
65.09957	1.6
67.55901	1.5
75.90500	1.8
93.79668	1.6
114.27759	1.6
120.37344	2.0
130.74168	1.6
195.25465	1.6
221.11340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43643	0.3
59.01388	1.9
59.89399	0.3
71.01386	2.3
71.60762	0.3
73.02943	0.6
85.02957	2.2
87.00883	0.4
87.78683	0.3
89.02442	0.7
93.03461	2.3
96.96007	2.2
99.92566	7.6
99.93188	0.3
101.02449	1.5
105.41290	0.4
111.43087	0.4
113.02369	0.4
115.92060	0.7
116.92849	100.0
117.92863	0.8
125.02386	0.5
127.04058	0.4
135.04495	1.8
161.02473	1.3
161.04514	0.5
163.15555	0.3
173.04515	2.2
191.03789	0.6
191.05591	16.9
193.06126	0.4
204.71089	0.4
216.96024	1.3
218.97501	0.4
244.95538	1.7
262.96509	0.8
304.97592	0.5
353.08725	0.5
373.00232	0.5
391.01205	3.9
411.18698	2.5
428.72614	0.4
457.41663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64951	0.4
59.01372	5.6
60.99309	0.9
67.01885	3.8
69.03440	0.7
70.72062	0.4
71.01382	2.3
83.05020	0.7
85.02949	4.8
87.00867	8.5
93.03444	25.1
96.95992	7.0
98.95615	1.9
99.00887	0.8
105.01952	0.7
111.04530	5.3
112.98831	1.0
113.02477	0.6
127.03939	0.7
129.01959	1.0
173.04538	17.7
176.60797	0.4
191.05611	100.0
192.05937	0.9
233.06683	11.2
261.05942	0.7
279.07205	37.1
297.11942	0.7
408.20267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15388	0.2
59.01378	20.8
62.72039	0.2
69.03458	1.1
71.01379	2.0
71.45782	0.3
73.02958	0.5
81.03461	0.3
84.49906	0.3
85.02961	1.4
89.02444	0.4
93.03444	0.4
101.02445	0.6
108.02188	1.7
108.38919	0.2
109.02970	0.4
113.02438	4.3
119.04993	2.2
121.02940	1.6
122.03731	0.3
123.04537	2.4
124.01639	1.5
125.02419	0.4
131.04939	0.3
134.03709	0.5
135.04515	9.0
136.05284	14.1
137.02391	0.2
147.60696	0.3
150.03232	0.5
150.95699	0.3
151.00423	0.2
151.03967	2.9
151.07642	3.6
152.01198	0.3
154.52733	0.2
161.04613	0.4
167.03618	0.3
168.00581	0.3
169.97318	0.3
173.04501	0.3
182.58223	0.2
187.07709	0.4
191.05608	5.2
192.05823	0.3
195.06621	100.0
196.06953	0.6
271.02414	0.5
279.06677	0.5
300.02850	1.8
301.03427	1.1
343.94495	0.3
357.11887	8.6
363.99097	0.3
392.44812	0.3
409.18427	0.2
427.09695	0.4
433.07712	1.4
471.14728	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	469.3318
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.49264	0.2
54.81337	0.3
57.94453	0.3
59.62476	0.3
68.75546	0.3
76.55563	0.3
81.05585	0.3
98.91384	0.3
250.30972	0.3
255.23303	1.5
425.34415	1.5
444.26425	0.3
451.24753	0.6
451.31412	0.4
469.33200	100.0
470.33627	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	469.3317
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
61.94707	0.1
68.82283	0.2
74.79456	0.2
76.73228	0.2
91.22906	0.2
107.55113	0.2
154.32759	0.2
158.28456	0.2
167.13626	0.2
171.25592	0.2
174.94791	0.2
194.34412	0.2
345.72110	0.2
377.28391	0.7
393.31573	1.0
405.31390	0.2
407.29196	0.3
421.31064	0.3
423.32614	0.8
469.33200	100.0
470.33575	2.6
473.13577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02964	0.9
58.04181	0.9
59.01379	1.0
60.04916	0.9
71.05002	18.2
71.05314	0.9
73.95893	1.0
74.34617	1.1
83.05009	1.3
85.02901	0.9
85.06586	4.3
97.06587	6.0
123.08170	2.5
145.02998	2.3
173.63098	1.1
222.08734	1.2
262.73203	1.1
337.25491	11.5
369.28171	1.7
373.27460	5.5
381.31763	6.1
391.26520	1.7
409.31146	1.6
421.31390	4.6
423.32779	10.2
425.34286	55.4
437.30777	2.4
439.32285	22.8
457.33243	55.5
469.33319	100.0
470.33698	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	469.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17558	3.8
57.23066	3.5
59.01372	100.0
68.45102	4.1
82.43877	5.0
206.38138	5.0
211.08469	4.6
229.89612	4.8
243.19630	95.7
325.86551	4.9
327.99628	4.6
328.42844	5.4
331.61847	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37145	0.5
51.74688	0.4
54.16196	0.4
81.84529	0.6
82.59778	0.5
82.61739	0.7
97.06554	4.3
123.99924	0.5
216.34947	0.5
352.07190	0.7
405.31552	4.2
407.33511	1.0
425.34558	1.2
451.32248	15.6
456.56314	0.6
469.33221	100.0
470.33539	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	469.3323
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
65.08862	3.3
75.16972	2.6
80.63929	2.3
90.68895	2.5
95.79613	3.4
101.88349	2.8
106.66660	3.0
107.29798	3.2
145.02975	5.8
283.08661	3.2
425.34146	42.2
451.32059	14.8
469.33456	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	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51015	0.2
55.02100	0.3
57.03437	0.6
68.86471	0.3
71.05004	0.4
71.26901	0.3
74.51075	0.4
77.04132	0.4
78.36027	0.3
83.04996	0.5
186.55054	0.3
199.92903	0.4
215.49701	0.4
289.21857	0.4
393.28036	4.3
405.31754	0.5
407.29355	4.4
409.31277	3.3
421.31433	0.6
423.32706	70.6
424.33054	2.1
425.34296	9.0
469.33228	100.0
470.33374	2.7
476.50922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28992	0.7
64.06418	0.8
67.97730	0.9
71.05018	3.6
95.04985	0.8
97.06590	1.1
101.19244	0.8
405.31268	1.3
407.33026	3.6
409.31055	4.1
420.11075	0.9
425.34271	1.6
451.32184	22.2
458.14072	0.9
469.33224	100.0
470.33643	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	469.332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
63.39483	1.1
71.05003	23.3
71.16245	1.1
71.37201	1.0
83.04999	1.8
85.06600	8.0
92.10855	2.3
95.24944	1.1
97.06613	6.0
100.20737	1.3
123.08174	2.3
143.93005	1.3
145.02957	5.5
151.97285	1.2
157.77296	1.4
258.85394	1.2
289.21863	2.2
307.20770	1.4
337.25357	8.9
369.28091	2.0
373.27460	6.0
381.31619	6.2
385.27469	1.8
391.26263	1.5
407.29712	1.8
409.31302	1.7
420.43048	1.5
421.31180	5.6
423.32733	16.3
425.34271	65.5
431.24557	2.0
439.32138	24.2
457.33295	71.3
469.33362	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82677	0.3
58.14938	0.2
60.99299	3.1
61.98814	0.3
63.06903	0.3
71.05003	0.3
85.59631	0.4
94.38510	0.3
97.06606	2.0
98.71437	0.4
145.02979	0.5
155.10870	0.3
167.10970	0.3
174.47050	0.3
204.15067	0.4
214.00044	0.3
269.19357	0.3
299.22900	0.4
305.22574	0.6
389.28494	3.0
391.30069	1.4
405.31686	7.5
407.33328	3.7
409.30978	0.4
421.31116	0.7
423.32712	0.5
425.34824	0.5
437.30777	0.7
437.41931	0.4
439.32220	2.3
451.32089	3.2
469.33273	100.0
470.33508	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	469.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20771	0.2
55.01885	0.3
57.03448	0.5
59.01375	4.2
60.01717	0.3
61.98819	2.7
64.23590	0.3
67.01888	1.6
69.03465	0.3
71.01371	3.2
72.01704	0.3
73.02934	0.5
83.01366	0.4
85.02936	3.5
86.03246	0.3
87.00866	2.8
88.01214	0.5
89.01332	0.3
89.02438	1.3
93.03436	17.1
94.03770	2.5
95.01363	0.3
99.00876	0.4
101.02437	1.8
107.01401	0.4
108.02165	0.5
109.02954	1.4
111.04528	1.8
113.02463	0.4
116.96778	0.2
119.05011	2.7
121.02933	9.4
121.30203	0.3
125.02424	0.3
127.03957	0.4
133.02934	0.4
133.06514	0.4
134.03717	1.6
135.04442	1.3
136.01619	1.1
137.02435	12.0
138.02771	4.7
139.03040	3.6
139.03992	100.0
140.04358	0.3
145.02899	0.5
151.00356	2.0
151.03934	0.4
154.02710	0.5
161.06070	1.1
161.42317	0.3
163.03978	1.1
165.01894	0.4
172.03204	0.3
173.04573	3.5
174.04880	1.2
175.05072	0.6
178.02489	0.4
179.03339	0.4
183.96239	0.3
185.11801	0.6
191.05634	9.1
192.05957	4.0
193.06046	4.1
199.03798	0.3
201.59477	0.3
205.04976	0.9
209.96643	0.3
250.62895	0.3
265.07343	0.3
271.06149	2.1
277.16531	0.5
301.09262	0.4
322.33075	0.3
371.09329	0.6
372.09421	1.2
409.20761	1.4
425.24481	0.6
433.11636	0.6
451.15610	3.6
468.23090	0.5
469.16232	7.2
469.23077	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	469.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07505	0.6
59.01374	7.5
60.17545	0.5
61.98827	1.4
63.98016	0.5
66.14653	0.6
67.01882	0.7
71.01359	4.5
73.02924	1.1
74.73929	0.6
78.95889	3.7
85.02947	3.4
89.02432	4.3
93.03457	3.0
96.96008	8.9
96.96937	2.8
99.00875	1.2
101.02412	4.8
108.22537	0.7
108.23335	0.7
109.01823	0.6
109.02934	1.5
113.02428	1.2
115.00362	0.8
131.03496	1.0
135.04512	1.4
136.33868	0.6
137.02414	14.3
149.06035	1.3
150.03246	0.7
151.03976	1.5
161.02477	0.9
164.01170	1.2
165.01909	100.0
166.02377	0.8
173.04475	1.1
175.03914	0.9
179.03462	18.6
180.04266	50.2
181.04974	0.7
183.51427	0.6
191.03969	1.2
191.05595	17.8
192.05872	0.8
194.05751	3.8
195.06615	76.9
196.06926	0.9
210.05339	8.6
220.31224	0.7
221.63449	0.6
225.07684	19.8
226.08174	0.7
243.08661	1.3
277.03384	0.8
277.12985	0.9
331.08197	2.6
345.09454	0.8
346.10529	0.9
361.12881	3.4
409.17099	4.6
421.15054	12.1
469.17261	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	468.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98823	100.0
69.15009	0.1
71.01344	0.2
88.50624	0.1
91.01881	0.2
93.03375	0.2
96.80221	0.2
97.51379	0.2
108.02219	0.2
135.00858	0.2
137.02470	0.3
163.03958	0.2
173.11755	0.2
183.63722	0.1
191.05510	0.3
192.05965	0.2
224.05096	0.2
243.06583	1.0
405.11963	0.3
421.06848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39924	0.2
51.50838	0.2
57.03450	0.3
59.01376	11.7
60.01712	1.4
61.01802	1.5
61.98824	100.0
62.02114	0.3
62.63610	0.2
69.06232	0.2
71.01372	1.8
72.01704	0.3
80.90373	0.2
82.78394	0.3
85.02967	0.4
89.02431	1.8
90.02757	0.3
91.02862	0.4
92.10800	0.9
93.03437	0.3
98.16009	0.3
101.02421	0.3
105.41064	0.3
113.02452	0.4
119.03504	0.5
143.39777	0.2
149.09665	1.3
150.10040	1.1
151.10266	0.3
154.09442	0.4
167.10742	1.2
168.11115	1.9
169.11264	0.2
180.06001	0.4
189.79599	0.2
191.05629	1.3
192.05920	0.3
238.11554	0.3
407.21622	0.3
408.22110	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	469.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18709	0.2
62.48458	0.2
62.64415	0.2
79.95712	0.9
83.74594	0.2
85.02951	0.4
92.86143	0.2
93.03437	0.9
96.95989	100.0
98.95558	0.5
115.92097	0.2
133.15891	0.2
135.04480	0.8
161.02477	0.2
171.03458	0.2
171.23639	0.2
173.04451	0.2
191.05595	13.7
353.08801	0.3
371.09799	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01388	0.9
60.99318	0.3
67.01886	0.7
71.01389	1.0
78.95887	0.3
81.03482	0.3
85.02940	4.9
87.00870	2.2
88.64612	0.2
93.03443	7.9
96.96003	5.7
96.96966	0.7
99.00871	0.3
99.04501	0.2
109.02947	0.9
111.04514	1.4
113.02453	0.3
127.03989	1.7
129.01886	0.3
133.02972	0.4
135.04512	6.6
137.02429	1.0
153.05556	0.3
155.03459	0.3
161.02425	2.3
171.03050	0.4
173.04535	4.7
179.03387	0.4
191.05608	100.0
192.05925	0.9
233.06625	0.3
341.08768	0.3
346.85541	0.2
353.08737	2.7
371.09830	29.6
372.10257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64125	1.1
54.81524	1.0
55.01871	1.6
57.03443	4.7
59.01369	29.8
61.30845	1.0
65.01515	1.0
69.03439	10.7
71.01372	29.1
72.15600	1.1
72.99324	2.3
73.02936	4.6
75.73622	1.1
83.01395	4.9
85.02929	18.5
87.00854	100.0
89.02434	21.0
93.03445	2.8
96.95992	26.7
99.00856	14.0
100.46197	1.1
101.02397	9.4
111.00877	2.4
112.01575	1.5
112.98797	37.6
113.02420	16.8
115.00373	2.7
119.03474	7.6
129.01906	2.8
131.03416	1.3
133.05013	4.7
142.99844	6.7
145.01389	2.9
155.03392	2.0
155.93057	1.5
157.01384	7.1
159.02940	1.5
161.04565	2.8
173.00876	7.3
175.02452	39.9
177.04022	1.2
179.05606	7.5
191.05597	13.6
233.06729	1.7
235.08124	1.9
267.62683	1.2
295.10327	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	467.3165
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
57.46159	1.1
61.98841	1.3
78.95908	1.3
92.10122	2.7
100.90807	1.3
108.17072	1.2
184.26306	1.5
188.62233	1.4
191.05566	5.0
209.36276	1.1
275.65445	1.2
287.20068	1.2
300.22879	1.2
391.26453	7.8
397.48569	1.7
405.28079	2.6
407.29614	5.1
421.31119	100.0
423.32730	2.8
448.02344	1.5
467.31702	94.7
468.31778	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	467.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03453	4.6
58.17575	0.8
59.01377	12.4
60.99301	3.4
61.98837	1.6
67.01890	8.2
69.03447	1.8
71.01364	8.1
73.02953	1.8
81.03436	1.6
83.01387	1.3
83.05003	0.7
84.74271	0.7
85.02935	19.2
87.00855	20.0
87.01330	1.1
89.02426	1.6
93.03438	62.7
95.94134	0.8
99.00874	1.9
101.02437	3.5
108.02190	4.3
109.02939	7.6
111.04514	10.1
112.45884	0.7
113.02421	1.2
127.04009	1.8
129.01939	2.9
133.03008	1.2
134.03726	15.5
135.04482	5.6
136.01642	10.8
137.02428	100.0
151.03976	3.9
153.01961	1.8
154.02681	6.8
155.03476	1.5
160.01579	1.3
164.94705	0.7
168.29997	0.8
171.02974	11.5
173.04524	23.8
177.01892	4.5
178.02702	7.1
179.03477	1.2
179.53241	0.8
189.04053	6.9
191.05597	99.0
231.05132	1.8
232.05811	7.8
233.06580	3.1
257.08197	3.7
261.18585	3.7
264.04828	1.6
319.23578	0.8
342.30637	0.8
369.08127	1.1
370.09079	16.5
423.23843	3.2
449.14536	13.0
453.23184	0.8
454.17081	1.0
467.15521	41.6
467.22754	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	467.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01386	2.6
59.37783	0.3
60.99304	0.5
63.88132	0.3
64.32955	0.3
64.33249	0.4
67.01881	5.1
67.48658	0.4
68.43266	0.4
69.03443	0.9
69.65555	0.3
71.01365	3.4
81.03448	0.5
83.05025	1.7
83.60413	0.4
85.02928	9.2
87.00853	7.9
92.10830	1.3
93.03436	32.6
99.00857	0.4
99.04520	0.5
107.54741	0.4
109.02972	1.6
111.04505	6.0
113.80614	0.4
115.04030	0.4
117.52863	0.5
127.03986	2.7
127.34429	0.4
129.01880	0.5
137.02422	1.9
155.03477	0.8
159.04546	0.6
171.02985	0.8
173.04506	10.2
173.05936	0.6
174.03200	2.3
175.07800	0.4
176.04759	5.5
177.09184	9.7
187.07616	7.5
190.06371	0.8
191.05592	100.0
202.06328	3.3
203.07123	3.3
205.08698	7.3
215.07098	0.9
227.03236	0.5
231.10208	3.7
233.06444	0.7
233.08458	0.8
249.11258	5.5
257.08279	1.4
275.09232	2.2
449.15030	0.6
467.15561	48.9
468.15891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96694	1.7
57.15077	1.9
59.01388	5.0
62.09496	2.0
66.86297	2.4
93.03452	5.3
114.05873	2.1
114.36300	2.2
117.03462	20.9
119.05009	33.9
145.02953	100.0
147.33139	2.3
151.10060	2.5
163.04001	18.9
191.05609	13.5
285.20752	12.8
290.05896	2.8
352.70987	2.5
407.25702	2.7
431.24286	39.6
455.31628	13.3
467.15594	3.7
467.31668	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	467.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41668	0.4
53.56075	0.4
54.81988	0.3
57.03438	0.7
59.01371	3.4
59.09128	0.4
60.99312	2.1
63.00027	0.4
64.37393	0.4
65.50523	0.4
67.01884	5.0
69.03467	0.8
71.01389	2.5
72.99290	8.7
73.02938	0.5
74.40316	0.4
76.42471	0.4
81.03440	0.8
83.05025	0.8
84.19991	0.5
85.02461	1.0
85.02939	12.4
85.03419	0.7
87.00856	11.4
93.03437	36.3
96.73364	0.4
99.00915	0.5
104.67488	0.4
109.02942	2.5
111.04518	6.9
115.92130	0.4
121.02976	0.7
122.03719	2.0
127.03959	3.2
129.01944	0.9
129.30026	0.4
134.03716	0.8
135.04539	0.7
136.01596	0.6
137.02419	9.1
148.61465	0.4
150.03206	0.6
155.03537	1.1
159.04500	3.0
173.04555	14.4
173.06035	1.8
174.03314	0.5
174.06874	3.7
176.04747	1.0
177.09224	0.9
178.02798	0.6
187.04129	1.0
187.07671	7.3
188.04820	3.2
190.06348	0.6
191.05605	100.0
192.05940	0.8
201.05598	0.6
201.09297	0.6
202.06381	1.0
202.10004	2.5
203.07176	0.5
203.10786	9.7
205.08742	2.1
213.09277	2.0
219.10329	2.3
231.10248	14.8
247.09497	0.5
249.11269	1.7
250.38080	0.5
257.08179	3.5
275.09222	2.8
293.10236	4.1
329.12524	0.6
449.14465	4.4
467.15573	34.4
468.15833	1.8
479.09769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86349	0.4
57.03441	0.8
59.01384	3.1
60.58616	0.5
60.99305	1.3
61.17120	0.5
67.01881	5.4
69.03444	1.0
71.01383	2.6
73.02973	0.5
81.03472	0.7
83.05033	1.2
85.02941	11.9
87.00856	9.8
92.10147	1.8
93.03439	34.4
97.06575	0.8
99.00853	0.8
108.02163	1.2
109.02942	3.7
111.04492	5.2
125.02403	0.8
127.04003	2.5
129.01941	1.3
132.02182	2.4
134.03722	18.0
135.04521	6.3
136.01613	6.4
137.02431	54.2
137.90964	0.5
151.04002	2.5
153.01935	0.8
154.02695	4.0
155.03574	0.9
160.01631	6.4
171.02963	5.3
173.04558	15.9
174.76591	0.6
177.01942	1.1
178.02710	1.3
179.03494	1.0
181.91498	0.6
189.04044	2.2
191.05615	100.0
231.10309	0.8
232.05885	3.3
233.06618	2.2
257.08154	5.1
264.04990	0.6
352.07843	0.8
369.08514	0.9
370.09216	6.2
449.14658	6.7
467.15585	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	465.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19255	1.9
59.01369	19.0
61.98828	2.2
62.84194	2.6
64.32870	2.3
64.60805	2.6
71.01360	20.3
73.02946	10.0
73.36209	2.3
89.02425	20.1
92.10160	3.5
97.76621	2.9
101.02432	19.8
131.06830	2.8
142.45454	2.7
181.07164	100.0
225.25224	2.4
283.26477	2.7
316.50970	3.2
341.81046	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	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23868	0.3
59.01368	0.7
61.98824	100.0
118.94920	0.4
124.57891	0.3
126.73342	0.4
135.04413	0.4
177.89915	0.4
191.05667	0.8
304.91544	0.4
325.34366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03074	0.1
55.01091	0.1
55.22008	0.1
57.03458	0.2
59.01373	2.7
61.98836	0.2
62.53659	0.1
63.14278	0.1
67.01896	0.2
69.93491	0.1
71.00513	0.1
71.01371	1.0
72.99316	0.2
73.02922	0.2
78.95874	1.4
79.95728	1.4
85.02935	0.7
87.00865	0.8
89.02415	0.9
92.10831	0.2
93.03425	0.7
96.95989	100.0
98.95581	1.3
101.02404	0.3
109.02973	0.2
115.00332	1.6
116.92847	0.2
118.33550	0.2
125.02349	0.2
128.90060	0.3
133.60315	0.1
137.02420	0.6
138.02704	0.2
145.67842	0.2
148.76862	0.2
149.02443	0.2
157.01297	0.2
175.01004	0.2
175.02444	3.1
191.05594	4.4
225.11273	0.8
245.13963	0.2
265.12375	0.2
305.07004	1.7
431.15378	0.8
467.12311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42074	0.6
53.65166	0.5
57.03456	1.0
59.01387	7.5
60.99310	2.2
64.33315	0.6
65.77985	0.5
67.01888	7.6
67.02130	0.5
69.03465	1.3
71.01369	5.0
72.99319	1.1
73.02960	0.7
81.03471	2.4
83.01403	0.8
83.05024	0.9
85.02948	8.0
87.00864	9.3
87.34843	0.5
89.02435	0.8
93.03445	47.2
97.02969	1.1
99.00895	1.1
99.04517	1.0
101.02427	2.8
109.02953	6.4
111.04520	6.4
113.02461	0.9
117.05801	0.5
119.04967	1.0
121.02955	2.2
125.02408	3.1
129.01921	0.9
133.01944	1.0
133.02942	18.0
134.03720	11.9
135.04515	5.0
136.01677	2.3
137.02438	10.5
147.04468	1.0
149.02402	2.4
151.04005	1.3
155.03471	2.4
161.02408	1.0
163.00333	2.4
163.03989	3.9
165.01910	3.4
171.02925	0.8
173.03130	0.9
173.04535	18.8
175.03992	4.0
175.07494	0.6
177.01852	1.4
178.02696	1.1
191.03577	2.9
191.05595	39.2
193.01369	3.0
199.04005	1.2
201.01907	2.5
203.03500	0.8
211.07591	0.8
212.04913	0.8
213.05530	1.1
225.05693	0.8
228.04181	0.8
240.04277	1.2
241.04997	1.0
253.04974	1.3
257.08246	1.3
268.03708	5.9
269.04514	1.2
275.09186	1.3
284.03265	11.9
285.04028	8.1
293.10245	0.8
297.00992	1.0
297.04031	16.0
298.04825	11.9
299.05606	24.1
300.05869	1.0
311.05609	3.6
324.02939	0.7
327.05093	100.0
328.05505	1.1
331.71768	0.6
339.04993	3.5
341.06592	1.2
357.06177	19.1
369.06061	1.2
370.09103	1.2
395.08240	0.7
425.20169	1.2
431.09827	81.9
432.09915	0.8
449.14639	6.6
467.15567	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61297	0.5
57.03446	5.5
59.01374	100.0
65.52127	0.5
71.01369	22.1
71.01749	0.9
72.99299	1.3
73.02921	0.6
73.80375	0.6
83.01384	0.9
85.02959	3.8
87.00852	0.9
89.02426	24.3
89.02959	0.9
95.01357	0.8
96.95987	12.9
98.95609	1.3
101.02412	7.8
106.79654	0.6
112.05280	1.2
113.02425	9.5
118.86919	0.5
119.03475	9.3
125.02462	1.0
134.07343	2.2
137.09694	2.2
140.49536	0.6
143.03502	2.7
149.04533	0.7
149.09697	22.9
159.34421	0.6
161.04538	3.7
167.09341	1.0
167.10753	27.8
179.05595	10.1
191.05685	2.0
225.15036	4.6
405.21362	14.6
462.63840	0.6
465.23279	0.6
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
54.63542	0.5
57.03446	7.3
58.00576	0.4
59.01375	100.0
69.56737	0.5
71.01370	28.0
72.99298	2.1
73.02944	2.2
83.01377	0.7
83.05038	2.3
85.02941	8.8
87.00869	0.9
89.02428	36.3
92.10138	1.1
92.66861	0.5
95.01394	2.2
96.95985	11.8
101.02425	14.5
111.85378	0.5
112.05296	1.1
113.02440	11.7
119.03481	12.8
123.04525	0.6
131.03484	1.2
134.07359	2.9
137.02429	0.6
137.09679	1.3
143.03404	1.8
149.02394	0.7
149.04468	0.7
149.09706	28.0
153.09109	0.8
161.04553	4.3
167.10750	38.9
171.10333	1.0
175.03876	0.6
179.05585	8.5
191.05582	4.8
207.13789	1.0
225.14897	6.1
241.05127	1.0
243.16023	2.6
285.03842	0.9
320.45151	0.5
387.20016	0.6
405.21301	51.8
406.21289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	0.6
57.03444	14.0
59.01366	4.4
61.04891	0.5
63.02416	0.8
65.00327	2.5
65.46230	0.5
71.01393	1.1
81.03459	0.8
83.01367	5.2
85.02943	1.0
88.63297	0.6
89.02457	1.2
90.88911	0.6
92.10123	1.2
93.03458	1.2
95.01372	2.7
96.95995	1.1
97.38408	0.5
97.80915	0.6
107.01370	4.0
108.02150	1.1
109.02954	5.5
111.00896	1.3
116.92846	1.0
121.02897	1.3
123.00872	1.2
123.04500	3.5
124.01645	10.6
125.02424	100.0
133.02928	5.7
135.04495	0.7
137.02444	4.1
139.03932	0.8
147.04549	1.0
149.02408	4.9
150.03261	4.1
151.00371	11.7
151.04013	6.7
152.01155	20.1
153.01909	6.3
161.06024	0.7
163.00365	0.9
165.05551	0.7
171.04518	0.8
173.05986	0.9
174.03180	2.2
175.03957	5.5
176.01129	2.5
177.01918	4.2
178.99831	5.0
181.01326	0.7
185.11815	1.2
188.04759	2.4
189.05505	4.9
189.32605	0.6
191.03520	1.4
191.05583	4.7
192.00572	0.7
193.01422	3.4
193.05086	2.9
199.03908	0.8
213.05591	0.9
215.03539	0.7
215.07211	0.8
216.04253	0.9
217.05003	7.6
231.06612	2.2
241.05093	2.4
257.04526	1.1
259.06076	9.1
261.80579	0.6
274.04755	0.9
275.05634	6.3
284.03323	1.1
285.04056	20.8
303.05182	7.4
323.62329	0.7
355.06705	1.1
437.10870	11.7
447.09439	5.4
465.10379	54.4
465.19330	1.6
466.10867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	0.6
57.03444	14.0
59.01366	4.4
61.04891	0.5
63.02416	0.8
65.00327	2.5
65.46230	0.5
71.01393	1.1
81.03459	0.8
83.01367	5.2
85.02943	1.0
88.63297	0.6
89.02457	1.2
90.88911	0.6
92.10123	1.2
93.03458	1.2
95.01372	2.7
96.95995	1.1
97.38408	0.5
97.80915	0.6
107.01370	4.0
108.02150	1.1
109.02954	5.5
111.00896	1.3
116.92846	1.0
121.02897	1.3
123.00872	1.2
123.04500	3.5
124.01645	10.6
125.02424	100.0
133.02928	5.7
135.04495	0.7
137.02444	4.1
139.03932	0.8
147.04549	1.0
149.02408	4.9
150.03261	4.1
151.00371	11.7
151.04013	6.7
152.01155	20.1
153.01909	6.3
161.06024	0.7
163.00365	0.9
165.05551	0.7
171.04518	0.8
173.05986	0.9
174.03180	2.2
175.03957	5.5
176.01129	2.5
177.01918	4.2
178.99831	5.0
181.01326	0.7
185.11815	1.2
188.04759	2.4
189.05505	4.9
189.32605	0.6
191.03520	1.4
191.05583	4.7
192.00572	0.7
193.01422	3.4
193.05086	2.9
199.03908	0.8
213.05591	0.9
215.03539	0.7
215.07211	0.8
216.04253	0.9
217.05003	7.6
231.06612	2.2
241.05093	2.4
257.04526	1.1
259.06076	9.1
261.80579	0.6
274.04755	0.9
275.05634	6.3
284.03323	1.1
285.04056	20.8
303.05182	7.4
323.62329	0.7
355.06705	1.1
437.10870	11.7
447.09439	5.4
465.10379	54.4
465.19330	1.6
466.10867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03442	3.0
59.01374	6.3
63.02396	0.3
65.00316	0.9
70.77689	0.3
71.01372	1.8
73.02879	0.3
75.41342	0.3
77.21472	0.4
78.95890	4.6
79.28485	0.4
79.95720	1.8
81.02665	0.3
83.01369	3.5
85.02944	0.8
87.00842	0.4
89.02428	1.7
92.10765	0.7
93.03439	1.5
94.98004	0.4
95.01367	0.4
96.95991	100.0
96.96870	5.9
99.63725	0.3
101.02412	0.6
107.01369	2.8
107.33449	0.3
109.02953	2.2
111.48893	0.3
113.02431	0.5
119.03463	0.7
121.02914	0.6
123.04472	2.1
124.01614	0.6
125.02419	38.9
125.77390	0.3
127.58472	0.3
131.01344	0.4
137.02423	4.2
139.03979	1.8
149.02402	5.5
150.03139	0.6
150.99211	0.5
151.00351	11.5
151.04001	1.5
152.01109	1.8
153.01920	13.0
161.06178	0.5
161.55350	0.4
163.30614	0.3
165.01857	0.9
167.03503	0.5
169.01416	0.8
174.03207	0.5
175.00294	1.5
175.03987	4.3
177.01945	4.8
178.99855	7.0
181.01405	4.8
188.04767	0.7
188.11644	0.3
189.05505	1.8
191.03481	0.6
191.05571	2.9
195.03008	0.8
199.03960	1.9
217.05122	2.6
241.04984	0.8
256.03549	0.4
259.06094	0.8
275.05621	8.1
285.04044	14.0
299.05576	2.8
303.05096	21.0
341.05286	1.7
343.06680	0.7
405.21176	1.8
442.05127	0.4
447.09351	0.7
465.10049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46428	0.3
54.81563	0.4
59.01381	7.2
61.98829	100.0
64.33289	0.5
71.01369	3.4
73.02918	0.7
83.01379	0.5
85.02927	5.3
86.03259	0.4
87.00862	1.6
89.02433	1.9
93.03450	4.5
95.55949	0.4
96.95988	0.8
99.00830	0.4
100.68179	0.4
101.02409	2.2
107.39230	0.4
109.02941	2.5
113.02447	1.0
121.02892	0.6
123.04498	1.9
125.02436	2.5
127.03986	0.8
135.04504	8.4
137.02412	2.5
139.03963	0.5
147.04495	0.6
151.04033	0.8
161.04582	0.5
163.03937	0.5
173.04515	1.7
175.03935	1.8
177.01779	0.5
182.04024	0.9
183.04395	1.0
191.05605	23.7
192.05928	2.2
203.03383	0.5
212.05008	1.7
213.05574	0.7
219.98611	0.4
243.02887	1.9
273.07568	0.6
284.11191	0.9
285.04056	0.8
289.07159	2.0
290.07471	0.8
375.11188	0.7
376.11469	0.8
403.15109	1.3
403.19586	0.7
404.15182	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69305	0.4
53.81110	0.5
54.32214	0.4
57.88694	0.4
59.01376	14.9
60.14819	0.5
61.98822	100.0
62.45282	0.4
63.26703	0.4
63.53328	0.4
68.81312	0.4
71.01369	2.3
78.95898	0.8
85.02955	1.1
91.54915	0.5
98.78938	0.5
113.02441	0.6
123.11005	0.5
130.87460	0.5
135.04485	0.9
135.53474	0.5
173.62767	0.5
191.05568	3.6
257.84991	0.6
272.02747	0.7
315.18121	1.0
422.47580	0.6
444.88727	0.6
461.44574	0.7
464.07281	2.2
479.62125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
64.00063	0.2
66.13589	0.2
71.59702	0.2
71.60165	0.2
78.00285	0.2
78.95905	0.4
79.95728	1.1
96.95989	100.0
123.00822	0.4
124.01633	0.5
125.02369	1.7
130.08452	0.2
149.99504	0.4
153.01913	0.4
160.04022	14.3
163.00322	0.6
168.00606	2.2
169.01303	2.1
170.01631	0.3
174.72728	0.2
191.05585	1.2
193.05136	0.3
198.42235	0.3
211.06047	0.4
212.06416	0.4
241.07243	0.5
242.07492	0.4
299.19266	0.3
366.08298	3.6
454.50598	0.3
464.11246	2.9
478.59009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98706	0.4
59.01384	4.5
59.01621	0.3
59.26685	0.4
60.20321	0.4
61.98825	100.0
65.00335	0.5
71.01368	0.8
73.02912	0.5
77.03950	0.7
80.59389	0.4
93.03416	0.9
107.01375	1.2
109.02911	0.5
117.03448	6.9
119.05019	0.6
121.02901	3.2
123.28279	0.5
125.02430	0.7
135.04491	3.8
136.04823	0.7
149.02420	0.7
151.00352	5.1
152.00688	1.2
159.04478	1.2
161.02420	4.4
163.03943	2.6
179.03433	0.8
191.05563	2.6
203.03517	0.7
239.07159	0.7
243.73056	0.5
253.04866	1.0
268.03619	2.1
269.04538	3.3
272.02652	0.6
281.04562	5.8
282.05231	3.1
283.06094	34.1
293.04318	1.2
295.05991	2.5
301.03339	2.5
302.03683	4.6
311.05630	46.9
323.05756	5.1
341.06659	13.2
401.08801	52.6
402.08792	0.7
479.90469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38067	0.3
53.48865	0.2
55.01884	0.5
56.39908	0.2
57.03450	0.3
57.50136	0.2
59.01375	10.8
59.01667	0.4
63.09255	0.2
63.56732	0.3
71.01376	6.1
73.02954	1.6
79.16367	0.3
81.03489	0.3
83.01404	0.6
85.02953	2.2
87.00856	0.4
89.02431	6.1
89.02940	0.3
95.01385	0.5
101.02437	7.0
105.53011	0.2
105.99120	0.3
107.10834	0.2
111.08150	0.5
113.02456	3.6
119.03497	2.0
121.71089	0.3
135.04475	0.3
143.03503	0.4
151.00374	0.4
158.99574	0.2
161.04527	2.7
165.12822	8.0
179.05595	0.4
183.13876	100.0
184.14297	0.4
209.11830	1.2
227.12874	6.0
235.08145	0.5
253.09305	4.8
267.24161	0.3
278.03348	0.3
309.86935	0.3
375.42938	0.3
417.25070	1.5
445.20816	0.4
463.21832	48.7
464.22119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
59.01374	8.3
59.01632	0.5
62.91018	0.4
67.83116	0.4
71.01374	6.9
72.99329	0.5
73.02946	1.8
83.01401	0.7
85.02960	2.1
87.00887	0.7
89.02427	4.8
89.73975	0.5
89.94870	0.4
101.02428	7.1
113.02456	2.3
119.03495	2.1
154.86101	0.4
161.04543	2.7
165.12828	7.8
179.05655	0.6
183.13892	100.0
184.14276	0.5
209.11899	0.7
227.12892	6.9
235.08377	0.5
253.09286	2.5
321.32858	0.5
388.37299	0.4
417.24915	7.4
463.21841	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41190	1.8
59.01380	27.0
71.01370	29.6
73.02930	6.7
85.02947	14.1
86.23132	2.0
89.02418	17.4
99.00843	2.6
101.02429	23.3
104.86787	2.0
113.02451	11.4
119.03481	3.8
135.04517	9.5
151.00359	12.2
158.34972	2.0
161.04521	15.0
163.83272	2.2
165.12816	4.7
179.98068	2.2
183.13872	100.0
227.12909	9.7
287.05478	2.3
300.02686	3.9
300.28400	2.2
301.03381	2.2
401.08783	2.0
417.24985	63.9
442.13184	2.3
463.08673	4.1
463.21619	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	463.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.0
59.01373	38.8
63.54234	1.4
71.01373	28.6
71.42446	1.5
73.02947	2.3
79.39383	1.1
83.01403	2.1
84.57971	1.2
85.02936	11.4
87.00889	1.6
89.02420	26.4
96.21946	1.2
101.02419	22.1
113.02435	12.6
119.03468	10.2
135.04488	12.0
135.19411	1.5
144.29181	1.5
151.00349	9.1
151.80289	1.5
161.04515	8.5
165.12842	14.3
179.05588	6.3
183.13870	100.0
184.14209	2.6
191.05600	2.8
216.12384	1.5
217.76384	1.7
227.12865	7.3
253.09218	6.4
255.19518	3.4
300.02759	2.1
417.24896	67.5
463.21768	61.2
467.94333	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81836	0.2
55.01880	0.9
57.03448	0.7
58.00602	0.2
58.32109	0.2
59.01375	11.8
59.90538	0.2
61.98836	0.2
63.70752	0.1
64.73974	0.1
70.29671	0.1
71.01370	7.4
71.01742	0.3
72.99304	0.2
73.02938	1.4
83.01382	1.3
83.05029	0.2
85.02937	2.1
87.00868	1.0
89.02431	6.4
89.02956	0.3
91.03995	0.3
95.01382	0.7
97.02907	0.2
97.06590	0.3
99.00880	0.7
101.02425	6.9
110.00276	0.2
111.08158	1.2
113.02435	4.2
119.03501	1.5
125.02471	0.3
135.04501	0.9
143.03473	0.3
145.79062	0.2
151.00349	0.9
161.04521	2.1
165.12822	8.0
168.78090	0.2
179.05667	0.2
183.13879	100.0
184.14276	0.8
207.13838	0.2
209.11862	1.4
227.12862	5.7
235.08192	0.7
251.12996	0.2
253.09312	5.0
300.02850	0.2
301.16556	0.3
380.55914	0.2
388.41672	0.2
400.99524	0.2
417.25006	3.1
445.20779	0.3
463.21857	47.5
464.22015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91552	0.6
52.14584	0.7
57.03443	1.6
59.01376	100.0
61.98824	38.7
65.00324	1.0
71.01369	6.6
78.95906	0.8
83.01398	1.2
85.02941	3.4
89.02435	1.5
93.03437	10.5
101.02444	1.4
107.01379	1.0
107.07252	0.7
111.08154	6.5
113.02452	4.7
128.54791	0.7
133.02937	14.2
134.03636	0.8
135.04514	9.9
145.02895	1.1
151.00349	9.7
154.01517	1.2
159.00874	1.3
161.02473	0.9
165.12828	57.0
191.05629	7.0
201.01909	7.3
202.99898	10.3
209.11810	5.0
225.05493	1.1
227.03488	1.2
227.12889	12.0
241.14432	11.0
251.03494	1.3
253.05099	1.0
255.03035	4.4
271.02527	5.6
281.04578	1.0
285.03845	0.9
287.05490	1.1
293.04492	3.8
295.02579	1.6
297.04007	1.7
300.02765	4.9
301.03598	1.5
301.10538	2.6
309.04019	3.2
310.04730	1.8
337.03564	24.3
366.49380	0.9
369.06210	7.1
389.06772	7.1
390.07498	3.1
431.07672	1.5
463.10358	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29472	0.6
53.86713	0.6
54.28567	0.6
57.03449	1.3
59.01375	100.0
61.98824	25.1
69.03468	0.9
71.01382	3.9
73.02935	0.6
78.95898	1.2
85.02958	4.2
89.02429	1.1
93.03446	7.8
95.01418	0.8
101.02433	1.7
107.01418	2.6
111.08170	5.4
113.02437	4.2
115.68280	0.6
121.02953	1.1
133.02930	10.3
135.04524	7.5
145.03021	0.9
147.11653	0.7
151.00385	7.3
154.01418	0.9
154.56715	0.6
159.00862	0.8
161.02412	1.1
165.12822	62.2
191.05627	4.1
191.10788	1.0
201.01923	7.1
202.47049	0.7
202.99875	10.4
209.11893	5.6
227.03458	0.7
227.12845	11.8
239.03358	0.7
241.14476	12.1
247.22340	0.7
251.03513	1.1
255.03029	3.0
271.02545	3.8
281.04477	0.8
283.15637	0.9
286.04007	0.8
287.05591	1.6
293.04593	4.1
295.02618	1.0
297.03961	2.9
300.02600	4.6
301.03534	1.5
301.11017	0.9
309.04208	1.2
310.04776	2.9
337.03568	21.0
355.16077	0.7
369.06281	6.0
389.06567	6.9
390.07431	2.8
431.07562	1.1
463.10300	37.0
464.11166	1.0
486.91617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52633	0.9
57.03461	2.1
57.18691	1.0
58.47279	1.2
59.01382	100.0
71.01380	23.7
73.02946	4.0
82.79108	0.9
82.95414	1.6
83.01388	1.7
85.02948	9.6
87.00893	1.9
89.02434	26.2
93.03448	5.3
95.01420	1.2
96.96001	28.4
96.96944	1.6
99.00892	1.2
99.04483	0.9
101.02420	12.3
101.06059	1.0
109.02935	2.5
113.02419	11.2
119.03493	8.3
121.02869	1.2
125.02498	1.3
131.75833	0.9
137.02437	2.0
139.07706	1.0
143.03517	1.3
149.04546	1.1
151.00356	1.7
161.04521	4.3
179.05605	8.8
191.05606	14.2
205.12347	1.8
208.32709	1.1
223.13371	1.4
245.00932	3.7
265.13992	1.1
289.07111	1.4
300.02502	1.3
403.19675	12.1
463.08829	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91413	0.2
59.01376	2.0
61.98821	2.0
66.13342	0.2
66.40536	0.2
71.01382	0.2
73.02961	0.2
78.28854	0.2
78.95889	0.4
83.44930	0.2
85.02943	0.3
90.79058	0.2
92.10198	0.4
93.03449	0.8
96.08134	0.2
101.02399	0.3
107.01431	0.3
107.05021	0.4
109.02948	1.0
113.02439	0.3
134.03729	3.3
135.04507	100.0
136.04765	0.8
151.00357	2.3
152.99582	0.3
153.01953	0.3
165.12862	0.3
178.99742	0.2
191.05595	1.3
194.63791	0.2
195.59456	0.2
200.83783	0.2
255.02956	0.4
265.63190	0.2
271.02469	0.9
287.05496	0.2
300.02609	1.7
301.03540	0.4
306.72968	0.2
320.32559	0.2
351.98129	0.2
378.40411	0.2
463.08841	0.9
463.15033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48676	0.4
57.03451	0.9
59.01376	9.6
62.43638	0.3
63.02380	0.7
65.00317	4.9
67.24684	0.3
71.01373	80.5
73.02937	0.8
75.00867	0.9
83.01373	2.9
85.02940	6.7
87.00863	1.5
87.04498	0.7
89.02434	3.6
89.32287	0.4
90.68850	0.4
93.03434	0.6
95.01368	1.7
95.82673	0.3
99.00864	1.7
101.02426	2.6
107.01385	10.0
109.02991	0.6
113.02449	8.4
115.00362	100.0
116.00655	0.4
117.01790	0.4
125.02460	3.0
135.04514	35.3
151.00369	35.8
152.00691	0.9
159.04497	0.4
161.01079	0.4
161.02347	2.6
161.04544	0.6
163.00345	0.5
175.02504	3.6
185.11812	5.6
191.05556	2.8
196.88914	0.3
199.13419	4.9
209.10165	0.4
209.11829	3.5
227.12923	2.3
243.02988	1.6
247.73447	0.5
255.02948	2.8
271.02469	8.0
285.04144	0.7
286.04324	0.5
287.05603	13.1
300.02740	10.0
301.03403	4.6
457.21451	0.4
463.08972	12.2
463.18457	31.4
464.18692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1097
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
52.55470	0.6
52.87227	0.6
54.87010	0.7
59.01371	10.6
62.75821	0.7
67.80222	0.8
68.52017	0.7
69.48665	0.7
71.01369	3.1
71.04988	1.7
78.95896	5.8
79.95708	1.5
81.03498	1.2
89.02425	1.4
96.95988	100.0
96.96969	5.7
97.02920	1.5
98.95567	0.9
99.04490	4.3
101.02440	11.0
116.92809	1.2
121.02966	1.0
123.00850	8.6
124.01635	26.2
125.02420	30.9
139.00354	0.8
139.03989	1.6
143.03526	1.2
149.99567	34.5
151.02034	0.9
153.01833	1.1
160.03992	3.4
161.04535	16.3
163.00310	1.9
167.03403	1.1
168.00616	83.4
169.01414	25.0
178.02666	5.1
183.06520	1.5
191.05577	5.2
193.04997	4.4
211.06079	6.5
241.07164	9.2
289.16016	0.9
313.11481	0.9
331.06558	5.3
336.42633	0.9
448.61078	0.9
463.10910	68.6
474.84476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1245
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
51.52635	0.1
55.13747	0.2
55.34081	0.2
58.02047	0.2
59.01381	2.4
61.98829	4.6
65.00327	5.5
70.78191	0.2
78.95901	0.3
85.02957	0.8
89.00320	1.5
91.01883	1.0
93.72938	0.2
95.01366	0.2
97.02948	5.2
98.91191	0.2
102.69510	0.2
107.01379	0.4
108.02150	0.2
109.02952	3.1
113.02460	0.2
117.03363	0.2
121.02950	2.9
133.02921	0.9
134.03717	1.8
135.04510	100.0
136.04909	0.6
137.02408	0.4
145.34561	0.2
149.99588	2.1
151.00360	1.4
161.02396	1.0
165.01913	40.3
183.02927	0.8
191.05615	1.6
199.03877	0.2
225.01866	0.2
269.00903	2.1
271.02380	0.9
284.03192	0.3
285.03796	0.8
286.03976	0.7
287.05466	0.3
299.05511	0.4
300.02792	0.9
301.07169	44.6
302.07513	0.4
403.04593	4.6
404.05316	0.8
463.06836	3.4
463.12512	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75157	0.5
56.09632	0.6
59.01381	3.9
59.59499	0.6
62.57871	0.6
70.83132	0.6
71.01382	1.1
78.95911	2.8
89.02419	0.8
90.35973	0.6
92.10768	1.4
93.03415	1.1
96.95997	77.4
96.96995	2.4
97.02953	0.8
106.73194	0.7
107.01383	0.7
114.36758	0.8
116.92808	1.0
118.81142	0.6
123.00854	9.3
124.01642	33.8
125.02418	29.5
135.04625	0.8
143.23546	0.7
149.99573	52.0
152.01184	0.9
167.03436	1.5
168.00623	100.0
169.01443	5.2
179.03438	0.9
191.05542	3.1
238.99818	0.9
331.06519	3.2
365.12988	0.9
463.10913	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23486	0.5
56.69825	0.5
57.03447	1.1
58.77431	0.5
59.01380	6.2
63.02404	0.7
65.00323	11.7
67.01842	0.5
71.01358	6.2
72.99323	0.7
75.00874	3.7
83.01376	6.2
84.72569	0.5
85.02938	11.5
85.03347	0.6
86.04182	0.5
87.00873	1.5
89.02446	0.9
90.29000	0.7
91.82129	0.6
95.01381	3.9
99.00876	4.9
103.00342	2.1
107.01378	23.6
109.02982	0.9
113.02430	21.3
115.00414	0.9
117.01942	1.1
125.02429	6.6
135.04500	90.5
136.04861	0.9
151.00351	100.0
152.00621	0.6
159.04381	0.7
161.02417	3.1
169.01389	1.0
175.02466	11.2
177.02008	0.8
240.48383	0.6
271.81512	0.6
287.05588	34.2
288.05707	0.7
312.98032	0.7
428.87610	0.7
463.08908	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	463.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21284	0.7
54.93253	0.7
59.01376	14.8
61.98823	47.4
71.01376	1.1
72.73068	0.8
83.01399	1.2
85.02938	2.0
89.10848	0.9
93.03441	18.9
99.00896	1.3
107.01417	1.8
109.02956	1.7
113.02442	3.5
115.01875	1.0
117.03413	1.4
123.50935	1.1
125.02452	1.4
133.02937	36.5
134.03760	1.6
135.04507	11.9
137.02412	1.5
145.02931	1.1
151.00378	12.0
156.15321	1.1
159.00838	7.6
163.03978	1.7
173.02440	1.9
175.02521	0.8
175.03944	1.3
177.01958	1.7
178.02695	1.8
184.61604	0.8
187.03941	1.1
187.23050	0.9
191.05585	6.3
199.03993	1.0
201.01924	40.0
202.99858	53.9
209.05954	1.2
219.36061	1.0
237.05560	3.8
243.02859	1.2
248.04724	1.2
249.05511	1.2
251.03477	1.1
253.05046	1.8
255.00476	0.9
255.02933	5.0
263.03558	1.1
265.05072	5.9
269.04718	1.0
271.02444	5.7
281.04504	1.6
282.05255	1.2
285.03888	3.3
287.05286	5.4
293.04565	15.5
295.02518	6.7
297.03989	4.4
300.02725	5.2
301.03549	1.1
306.07443	1.7
309.04074	10.5
310.04776	12.5
319.02457	1.3
325.07224	8.2
337.03571	96.3
361.74933	1.1
369.06158	100.0
370.06375	1.4
389.06573	7.3
390.06931	1.2
460.10648	1.1
463.10309	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91756	0.5
63.02402	0.6
64.98272	0.4
65.00318	2.1
72.96723	0.6
77.91163	0.5
79.09284	0.6
83.01382	0.9
85.02971	0.8
93.03449	0.6
93.81818	0.6
107.01388	5.2
108.02168	2.7
109.02925	1.3
121.02936	3.2
135.00839	0.8
135.04494	5.9
142.66302	0.5
148.01651	3.3
149.54170	0.6
151.00360	19.7
159.65700	0.6
163.00340	3.1
178.99846	6.0
183.04388	0.8
199.03958	2.2
211.04045	1.1
215.03624	1.1
226.02753	0.9
227.03535	5.0
229.05040	0.7
243.02951	18.1
245.04454	2.3
254.02194	3.7
255.02971	35.9
271.02460	79.2
272.03076	2.8
283.02374	0.6
287.05493	2.6
299.02060	1.3
300.02734	100.0
301.03497	42.8
341.58420	0.7
463.08804	68.6
464.09225	2.2
465.17429	0.8
481.70554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.53957	0.6
59.01380	11.9
60.51513	0.6
63.02402	1.4
65.00327	7.8
67.68894	0.6
71.01382	6.3
73.02935	0.8
74.99422	0.7
83.01400	4.7
85.02947	6.1
87.00892	0.7
89.02440	4.3
93.03448	1.2
95.01398	1.4
96.60967	0.6
99.00889	1.5
101.02442	2.8
107.01389	15.5
108.02174	1.7
109.02938	7.2
113.02412	7.5
119.14762	0.7
121.02936	8.6
125.02388	1.1
135.00865	2.6
135.04503	35.7
139.03970	0.8
148.01643	1.5
149.02437	1.4
151.00357	60.8
157.13393	0.7
159.04486	1.4
161.02390	0.8
163.00346	8.2
164.01132	1.5
169.01317	1.1
175.02461	3.4
178.99821	14.1
179.03397	1.2
183.04546	1.0
191.05502	2.3
198.03279	0.9
199.04054	1.5
201.05602	1.2
203.03508	0.8
211.04022	3.7
215.03618	1.0
226.02637	2.9
227.03456	7.3
240.04260	0.8
241.05016	3.0
243.02946	17.6
245.04492	4.3
254.02231	4.0
255.02980	32.1
257.08359	1.6
271.02460	67.6
272.03156	1.4
273.03793	2.6
283.02487	3.3
283.05884	1.6
287.05579	11.6
299.01923	1.2
300.02747	84.1
301.03537	100.0
302.03867	1.2
331.17752	0.9
445.07748	49.9
460.95337	0.7
463.08566	16.9
463.20566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09310	0.2
52.40838	0.2
53.57876	0.2
58.74979	0.2
59.01375	1.4
61.98825	100.0
64.83053	0.2
70.96646	0.2
107.57237	0.2
135.04520	0.5
151.00346	0.4
161.19383	0.3
191.05560	0.5
285.03952	0.4
286.04367	0.5
462.07925	0.4
478.98587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83985	0.4
59.01374	23.5
61.98822	32.7
65.00320	1.7
71.01379	0.9
78.95884	0.6
85.02955	2.0
87.00866	0.7
92.10864	1.0
93.03442	2.1
99.00924	0.4
100.45596	0.5
101.02439	0.7
107.01365	2.3
109.02919	1.0
113.02438	0.8
125.02423	0.7
133.02914	9.3
134.03697	0.7
135.04500	5.4
137.02432	0.6
142.31946	0.4
151.00317	6.2
165.01907	0.5
167.73647	0.5
185.02408	1.8
191.05542	5.6
197.02354	0.5
201.01891	2.6
213.01822	0.7
221.15450	0.8
225.01816	3.8
229.01382	0.5
239.03476	0.6
243.02898	0.8
255.03139	0.7
265.14490	1.7
267.02957	11.6
269.00906	30.3
271.02432	2.8
287.05341	2.0
300.02637	3.8
301.03409	1.0
303.06729	1.9
306.07458	0.8
331.06375	1.5
347.05722	0.8
359.05588	1.7
361.03516	1.0
375.05206	0.9
395.92575	0.6
403.04584	100.0
404.05057	3.0
419.07639	1.6
431.07675	0.9
463.07190	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	461.3272
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
59.01400	0.9
79.50818	0.8
82.55370	0.8
96.65757	1.0
125.15069	0.9
133.02945	1.0
194.77216	1.1
285.04065	6.9
319.74506	1.1
429.30096	5.6
457.35922	1.1
461.32745	100.0
462.32935	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	461.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.9
79.50818	0.8
82.55370	0.8
96.65757	1.0
125.15069	0.9
133.02945	1.0
194.77216	1.1
285.04065	6.9
319.74506	1.1
429.30096	5.6
457.35922	1.1
461.32745	100.0
462.32935	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	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48830	0.2
58.46388	0.2
59.01385	0.9
61.98826	100.0
66.07470	0.2
70.95206	0.2
76.32929	0.2
77.15225	0.2
91.12202	0.2
92.04466	0.2
92.10094	0.8
108.73294	0.2
135.04514	0.3
136.66856	0.2
190.79224	0.2
191.05580	0.3
247.79327	0.2
284.77820	0.2
286.04333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47535	0.5
54.62516	0.8
55.01885	1.2
57.03462	1.3
58.00595	1.0
59.01377	71.3
59.06673	0.5
61.19819	0.6
63.00586	0.6
63.02397	1.3
65.00327	0.9
69.03471	0.7
71.01382	31.6
72.99319	3.0
73.02940	20.4
73.03323	1.1
73.89677	0.5
75.00871	1.2
76.55441	0.7
79.10808	0.7
82.88686	0.6
83.01399	1.3
85.02941	10.5
87.00885	2.8
89.01884	1.2
89.02439	33.5
92.10892	1.4
95.01403	3.6
99.04512	17.1
101.02438	12.5
105.03428	0.6
107.01365	2.8
109.02973	2.4
113.02450	14.4
117.03505	1.1
119.03489	13.0
119.04969	1.0
121.02955	0.7
123.04503	4.1
127.07647	1.4
133.02925	11.8
135.04486	1.2
145.02959	4.7
149.02469	2.7
151.00381	4.6
153.05547	3.2
155.07187	0.6
161.02420	1.4
161.04570	1.1
175.03964	4.8
179.05603	4.5
181.35965	0.7
191.05583	1.6
199.03955	2.6
207.10356	1.0
207.13933	0.9
215.03430	0.9
217.05142	0.7
225.11278	1.1
241.01392	2.8
241.05154	1.0
242.02277	0.7
242.37186	0.8
243.03085	0.8
245.00737	1.2
270.01605	0.9
281.17572	60.3
282.17978	1.3
285.04025	100.0
286.04257	5.6
299.02081	1.4
307.08133	1.0
327.04758	0.9
330.14709	0.8
461.07101	10.9
461.24417	15.7
462.07910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52660	0.5
57.03449	0.8
59.01375	11.9
61.98809	0.8
62.80381	0.5
62.89888	0.5
63.02393	1.1
65.00320	0.8
71.01364	6.0
72.99306	0.8
73.02941	0.7
75.00854	0.5
83.01382	0.9
85.02946	2.4
87.00833	0.6
88.98801	1.0
89.02441	2.6
90.00044	0.5
93.03384	0.6
95.01323	0.7
99.00844	0.9
101.02440	0.9
105.03447	0.6
107.01342	2.5
109.02954	1.2
113.02444	4.6
117.01900	0.6
119.03487	1.0
121.02940	0.8
133.02943	8.5
145.02925	0.7
149.02431	2.2
151.00359	5.8
173.65689	0.6
174.03397	0.7
175.03963	4.3
191.05612	1.2
199.03989	2.8
201.12848	3.7
213.05576	1.0
217.05078	2.5
241.05029	1.1
263.12860	2.5
269.04370	0.6
283.02405	0.7
285.04041	100.0
286.04361	6.0
327.04941	0.8
355.77774	0.7
402.73886	0.6
461.07043	11.0
461.24237	4.1
483.82874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47832	1.0
55.01883	8.5
57.03455	8.9
58.00591	1.3
58.12156	1.2
59.01373	64.1
62.64365	1.2
62.75853	1.3
71.01373	80.2
73.02937	30.8
76.77882	1.2
78.36368	1.3
83.01386	13.7
85.02942	47.1
86.67458	1.4
87.00851	2.5
89.02409	10.7
92.10177	2.8
93.04232	1.3
93.12397	1.4
95.01400	6.2
96.96008	8.9
97.02917	2.3
99.00854	11.5
101.02426	74.0
113.02443	38.1
125.02436	2.2
131.03435	1.7
143.03508	3.4
159.02943	8.2
161.04538	37.4
182.28267	1.8
269.10300	100.0
270.10855	1.9
401.14499	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97735	0.4
59.01368	4.9
63.02401	0.5
65.00320	0.8
71.01370	70.0
73.02937	0.6
79.88396	0.5
85.02956	0.8
89.02443	2.1
92.04362	0.4
93.03465	0.4
107.01375	0.7
115.00352	100.0
116.45930	0.6
127.07563	0.9
133.02928	2.4
137.40761	0.6
151.00389	1.7
152.28081	0.5
158.03796	0.8
161.02399	0.6
171.04514	0.6
183.10263	0.8
186.03191	2.5
197.11906	0.7
198.03288	0.8
199.03993	2.4
214.02715	3.5
215.03462	0.8
220.20967	0.5
239.12880	1.0
241.01418	20.2
242.02184	9.6
243.02945	2.0
245.00833	6.6
270.01685	18.0
271.02420	13.2
285.04031	22.3
286.04407	0.7
298.01126	5.3
299.01984	10.4
321.27982	0.5
334.53015	0.5
406.72192	0.6
433.07562	0.9
461.07269	20.2
461.16675	36.7
462.07779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81634	0.5
54.94673	0.4
58.15779	0.4
59.01379	4.8
70.85543	0.4
71.01376	4.3
73.02937	1.0
81.03461	0.6
83.01334	0.5
83.76112	0.5
85.02946	3.9
87.00872	0.4
89.02417	0.6
91.23582	0.4
92.10136	1.1
93.03452	0.4
96.95981	10.3
96.96953	0.6
101.02441	2.3
108.02160	62.1
109.02944	12.6
109.03621	0.7
113.02441	2.5
116.92853	0.7
123.04530	0.5
135.04500	1.0
145.02962	0.5
151.00320	0.5
152.01132	100.0
153.01825	2.4
161.04533	0.6
163.03981	2.9
191.05504	1.4
207.03008	0.5
461.13010	59.7
462.13144	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	461.1298
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
51.36668	0.2
56.50744	0.3
58.00579	0.3
59.01375	13.8
59.01672	0.5
61.67487	0.2
65.00330	1.5
65.89603	0.2
68.79323	0.2
69.03465	1.4
71.01370	11.3
72.99329	0.4
73.02946	1.9
75.00890	0.3
76.91179	0.3
81.03439	0.6
83.01410	0.4
85.02930	3.0
87.00862	0.6
89.02431	11.4
91.01876	36.3
92.10844	0.7
95.01372	0.4
96.95957	0.5
97.02952	1.8
99.00871	1.9
101.02415	2.2
101.68961	0.3
107.01372	0.5
107.05016	8.2
113.02444	0.7
115.03980	0.7
125.02425	4.9
127.03943	0.4
131.03465	1.3
135.00868	43.8
135.04498	0.6
143.03462	0.5
149.04526	2.0
167.03473	100.0
168.03804	0.5
173.04633	0.3
184.81091	0.3
191.05598	3.9
233.06712	2.3
242.88246	0.4
293.08762	11.4
401.14392	2.2
461.13049	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87429	0.4
50.89636	0.4
55.01884	2.1
57.03450	0.7
58.00599	0.6
59.01380	100.0
71.01381	14.8
72.99299	0.4
73.02932	5.4
83.01390	2.2
83.94675	0.5
85.02946	7.1
87.04494	0.8
89.02433	7.2
93.71794	0.5
95.01378	0.7
99.00907	1.6
101.02426	8.6
101.06070	2.1
101.78322	0.5
106.19032	0.5
110.25790	0.5
112.95889	0.5
113.02441	7.7
119.03502	1.1
133.05673	0.5
157.55101	0.5
161.04544	4.0
381.22818	2.7
399.23917	4.8
417.24966	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	459.3117
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
53.41414	2.1
54.54308	2.8
58.54163	2.3
59.01379	14.0
61.98841	5.3
71.05019	6.2
79.40530	2.5
80.77420	2.5
100.70879	2.4
135.09859	2.8
182.60042	2.6
193.22212	2.8
206.13350	2.6
255.03079	3.6
283.02548	4.1
344.83585	2.9
353.28394	3.1
404.26865	3.1
404.32144	2.5
423.29507	3.7
431.16934	3.0
441.30081	12.8
459.30997	100.0
461.84579	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0726
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01880	0.3
57.03450	1.2
59.01375	6.1
63.02372	1.6
65.00311	3.2
68.99809	0.3
69.77192	0.2
71.01367	3.5
72.99310	0.3
73.02954	1.0
73.72424	0.2
75.00877	1.0
81.03445	0.2
82.24744	0.2
83.01381	1.2
85.02938	4.2
85.97827	0.2
87.00882	1.2
89.02432	2.1
91.51980	0.2
93.03429	0.4
93.16928	0.2
95.01364	1.5
96.95985	0.9
99.00859	2.3
101.02438	1.1
105.03333	0.2
107.01373	3.3
107.05043	0.3
108.02170	0.3
109.02956	1.1
111.00883	0.5
113.02439	3.2
115.00367	0.2
119.05030	1.3
121.02957	1.6
123.00851	0.3
123.04513	0.2
125.02429	1.7
129.01910	0.2
131.05052	0.4
133.02942	7.1
135.04503	3.6
143.05014	1.3
145.02956	1.2
145.06583	0.2
146.03741	1.3
147.04514	4.3
148.21201	0.2
149.02435	1.7
149.04491	0.3
151.00339	5.0
155.05035	3.5
157.02945	0.4
157.06664	0.2
157.75990	0.2
159.03203	0.2
159.04506	0.8
161.02428	0.3
161.04659	0.3
161.06061	1.5
163.00397	0.2
165.09204	0.2
169.06607	0.6
171.04498	2.7
173.02434	0.4
173.06021	0.4
174.03192	1.2
175.02446	0.7
175.03957	6.2
177.01886	0.4
183.04651	0.2
185.06052	2.4
187.04041	1.9
189.05537	2.9
191.05559	1.0
195.04535	0.7
196.05246	0.2
197.05992	1.0
198.03206	1.6
199.04005	12.5
201.01915	0.9
211.04100	1.1
212.04904	0.2
213.05583	3.3
214.02780	0.2
215.03590	1.5
217.05046	3.3
221.11797	0.3
223.03938	0.3
227.03561	0.2
229.05028	1.3
237.09267	0.2
239.03476	1.2
241.05057	2.3
243.02899	1.0
257.04553	8.5
257.07114	0.4
267.03003	0.4
283.11832	0.3
284.03232	0.3
285.04028	100.0
286.04312	1.9
327.05075	0.8
355.04172	0.3
357.06262	0.4
379.18155	0.2
415.16074	1.0
461.07184	5.3
461.24243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03446	1.9
58.00573	0.6
59.01373	100.0
61.98826	0.5
66.86248	0.4
69.03441	0.8
69.89777	0.4
71.01365	15.6
71.01745	0.6
72.99306	0.5
73.02943	0.5
83.01374	0.6
85.02930	5.4
89.01876	0.8
89.02419	16.3
89.02959	0.7
92.10162	0.9
95.01373	0.8
101.02428	7.5
106.02912	0.5
113.02432	6.3
119.03463	6.6
128.08340	0.5
131.03445	0.6
141.08870	0.5
143.03467	0.5
144.40323	0.4
144.78850	0.4
148.27208	0.5
149.04489	0.6
161.04535	1.9
164.67137	0.5
179.05597	3.4
189.05254	0.5
204.11067	0.5
279.19623	24.9
399.23941	5.0
459.26047	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41853	0.4
54.68181	0.4
55.01877	0.6
57.03445	0.5
58.99099	0.3
59.01374	100.0
61.98822	0.6
63.67161	0.5
71.01373	6.1
73.02937	2.4
83.01392	0.9
85.02953	3.6
89.02426	0.8
92.10188	1.0
95.01367	0.5
99.00874	0.6
101.02427	5.5
113.02449	2.5
114.36671	0.5
119.03494	0.4
159.02985	0.6
161.04564	4.8
399.23871	13.0
433.20654	0.5
470.68427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01376	100.0
61.98827	0.5
71.01366	3.4
78.02657	0.4
85.02942	0.6
89.02444	2.1
92.10889	1.0
99.00867	0.5
101.02420	2.4
113.02419	1.9
114.25133	0.5
161.04529	2.1
191.05592	0.7
255.02856	2.0
389.26767	0.4
399.23837	2.5
459.31177	2.6
466.11060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26690	0.4
54.81336	0.4
55.01864	0.8
57.03458	0.5
59.01377	100.0
64.01270	0.4
65.45268	0.4
71.01373	9.6
73.02928	3.6
77.27701	0.4
78.75188	0.4
82.00641	0.4
83.01389	2.0
85.02943	5.1
88.98776	1.0
89.02435	2.3
95.01384	0.7
99.00884	1.1
101.02434	7.5
113.02433	3.0
116.92873	3.3
119.03506	0.4
131.29141	0.5
143.03496	0.5
161.04544	1.8
186.43434	0.4
191.05763	0.7
208.11906	0.5
255.02881	0.6
373.22391	7.2
384.33365	0.5
415.23410	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	459.2598
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.84988	0.2
53.08989	0.2
55.01876	1.2
56.38446	0.2
56.49995	0.2
57.03448	0.5
58.00594	0.2
59.01376	100.0
62.50390	0.2
63.39845	0.2
68.99832	0.2
71.00974	0.5
71.01369	13.6
72.99303	0.4
73.02938	4.2
75.67513	0.3
83.01359	1.9
85.02935	4.6
87.00869	1.0
87.04483	0.4
89.02433	8.1
95.01379	1.3
97.02944	0.3
99.00877	1.3
101.02424	10.3
101.06073	0.3
102.55025	0.3
112.30524	0.2
113.02443	5.3
119.03471	2.3
123.94196	0.2
125.02425	0.5
143.03529	0.4
161.04546	2.5
176.89540	0.2
179.05560	0.9
191.05511	0.4
255.02882	0.2
255.19630	0.4
297.20602	0.3
381.22876	0.5
399.23691	3.8
417.24954	14.2
459.26224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01696	0.3
61.98819	0.3
71.01366	0.3
82.95453	0.3
83.57561	0.3
85.02924	0.3
95.34753	0.3
95.44339	0.3
103.00352	0.5
110.10793	0.3
121.02924	5.2
161.56836	0.3
191.05646	0.6
207.13898	6.5
225.14966	3.8
228.01947	0.3
251.12819	1.5
255.02933	0.4
267.16034	3.1
269.13922	0.5
311.14972	1.4
329.16034	0.6
371.17004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3323
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.29881	0.8
56.56799	0.9
62.60224	0.9
66.60888	0.9
71.05012	11.7
71.12045	0.8
73.43330	0.8
74.96469	0.9
75.43528	1.0
92.10255	1.5
114.13200	1.1
119.42186	1.0
135.76540	0.9
205.89841	1.0
235.76608	1.0
281.22589	2.2
309.26007	4.2
325.25406	1.1
337.25479	1.5
376.96506	1.2
411.32709	8.3
439.32196	2.0
457.33221	100.0
458.33606	2.3
483.96667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
63.02400	0.3
66.84084	0.3
71.01366	2.3
72.99306	0.5
73.02934	52.7
76.83523	0.3
78.95915	0.5
85.02947	1.4
87.00868	0.5
89.02425	2.2
95.10860	0.4
96.96941	0.4
99.00863	6.9
99.92576	0.4
101.02461	0.4
113.02438	1.8
116.92847	15.3
117.01922	100.0
117.92844	0.3
119.03458	0.8
135.04552	0.4
144.49832	0.4
179.05484	0.4
191.05598	3.0
225.75876	0.3
260.45337	0.3
267.07178	3.9
301.32898	0.3
341.10968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09462	0.7
53.72314	0.7
59.01386	2.0
61.02174	0.8
76.54584	0.8
92.63873	0.8
109.73959	0.8
120.43130	0.9
121.56106	0.8
136.72874	0.8
439.32056	1.9
457.33237	100.0
458.33530	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	457.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81683	0.2
63.18207	0.2
71.05001	2.7
77.72274	0.2
84.89127	0.2
92.10151	0.8
96.44431	0.2
107.45612	0.2
161.13309	0.3
220.90092	0.2
391.30182	0.2
395.33044	0.2
397.31134	2.5
399.87872	0.2
413.34167	1.2
421.31317	0.5
425.30746	0.3
427.32608	0.4
437.30270	0.9
438.42477	0.3
439.32156	19.5
440.32373	0.3
457.33240	100.0
458.33673	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3325
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
52.75932	0.2
54.41954	0.1
54.76415	0.2
59.01368	0.4
59.68090	0.2
61.98831	0.3
62.87904	0.2
71.05013	2.2
80.41190	0.2
83.05022	0.3
92.10198	0.4
102.05590	0.4
103.30820	0.2
217.00192	0.3
247.70100	0.2
377.28479	0.8
391.29907	0.3
393.24374	0.2
393.31271	0.9
397.31097	2.0
413.34219	1.3
425.30746	0.4
427.32669	0.3
437.30637	1.8
439.32184	19.2
440.32172	0.7
457.33246	100.0
458.33600	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53762	0.2
55.28463	0.2
58.86646	0.2
71.05016	3.6
83.05034	0.4
85.07805	0.2
183.95126	0.3
190.70247	0.3
324.14362	0.3
347.27441	1.3
359.55457	0.2
361.29193	0.4
367.30176	0.5
377.31921	1.9
393.31705	2.0
395.33194	8.0
397.30994	3.6
398.76602	0.2
409.31107	1.3
413.34158	0.5
439.32184	15.9
457.33258	100.0
458.33792	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	457.3322
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.41944	0.6
54.81657	0.7
57.03459	0.7
57.94102	0.7
58.21338	0.7
59.01384	3.2
61.98827	0.8
64.29692	0.7
83.36607	0.7
91.04276	0.7
98.92323	0.7
123.03336	0.7
142.64200	0.6
144.96440	0.8
160.50529	0.8
191.05627	1.2
211.34210	0.9
413.34427	3.2
457.33282	100.0
458.33643	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2958
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
55.26016	0.6
57.03448	1.3
59.01376	25.6
61.98820	0.9
69.03426	1.1
71.01363	1.7
85.02956	0.9
89.02421	1.1
111.00060	0.6
191.05617	1.2
205.16005	1.1
217.00208	1.1
219.31902	0.9
240.94083	0.7
328.40274	0.7
348.77991	0.7
369.27841	0.9
397.27542	5.4
401.27167	1.1
409.42587	0.7
413.30612	20.6
427.28671	1.2
457.29568	100.0
458.30121	1.2
459.01111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.332
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
54.59831	1.3
59.01385	7.3
71.05025	10.7
78.94495	1.2
109.06590	3.4
111.01588	1.3
115.42786	1.5
205.16147	2.5
217.00279	1.4
241.84810	1.4
260.33057	1.3
262.84512	1.6
286.44247	1.4
341.21164	2.2
357.24554	5.8
370.65039	1.6
373.27280	9.9
385.27374	10.9
411.29227	2.4
441.29788	1.8
457.33429	100.0
458.33572	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3323
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
52.58867	0.6
59.01381	5.3
61.98830	0.7
62.09857	0.7
63.54121	0.7
100.25047	0.7
101.51760	0.7
104.08797	0.8
130.06935	0.7
152.90292	0.7
191.05704	0.8
245.44232	0.8
303.69067	0.9
396.26947	0.8
409.31448	0.9
418.81439	1.0
439.32092	1.6
457.33252	100.0
458.33963	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	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
57.03439	1.2
58.00599	1.7
59.01376	94.7
69.03442	11.2
71.01371	76.9
72.99290	1.1
73.02929	13.8
75.00864	3.6
79.18604	1.0
81.03463	4.5
83.01384	5.5
85.02933	10.7
86.35255	1.0
89.02429	89.0
90.68875	0.8
93.03423	1.6
95.01414	1.7
97.02938	14.5
99.00854	16.7
99.04528	1.4
101.02428	14.2
109.02995	1.0
111.00876	1.1
113.02444	5.3
115.03982	10.3
125.02422	44.7
125.03342	1.5
131.03535	6.7
143.03513	5.0
148.05293	100.0
149.04559	10.2
149.05597	1.4
156.19289	1.0
163.07648	22.1
173.04567	1.2
191.05574	8.2
233.04384	1.6
233.06625	32.9
293.08801	28.1
299.34396	1.0
300.43359	1.0
306.08170	0.9
458.55908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01381	100.0
60.01722	1.6
60.84185	1.5
61.98838	2.0
69.03441	2.3
71.01369	24.0
73.02936	5.9
83.01395	1.9
83.27853	1.7
85.02950	9.5
87.00858	5.7
89.02422	12.7
92.10789	3.4
93.03471	5.2
99.00877	1.7
101.02425	11.5
109.02911	1.7
109.73982	1.5
109.80787	1.5
113.02431	8.0
115.00356	6.0
117.03397	1.9
121.02919	7.8
125.02374	2.6
135.04483	2.4
136.66069	1.4
145.02982	1.8
148.05321	13.0
153.01888	1.6
161.02405	1.8
161.04518	3.0
163.07602	2.3
173.04536	2.8
175.02432	6.8
191.05576	20.4
249.15010	1.6
281.04550	2.6
289.16492	2.2
293.08749	2.1
351.87479	1.5
378.88159	1.5
379.31735	1.4
421.20621	11.6
427.61014	2.0
457.18423	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	455.3526
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
109.30364	0.3
169.17867	0.3
413.59805	0.4
455.35303	100.0
456.35544	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	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
54.82038	0.6
56.27827	0.7
66.62019	0.7
73.38908	0.7
92.56754	0.7
141.28531	0.8
183.44876	0.7
239.76070	0.7
259.98468	0.9
291.18503	0.8
455.35327	100.0
456.35751	1.4
472.64066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49435	0.1
58.00580	0.1
59.01376	4.0
71.01369	1.8
72.99323	0.1
78.95889	0.7
79.95717	1.6
84.95107	0.3
85.02956	0.3
85.27191	0.1
87.00890	0.2
89.02435	3.0
96.95992	100.0
101.02421	1.8
109.02905	0.2
113.02444	1.1
115.00338	0.3
115.12073	0.1
119.03474	1.0
125.02409	0.2
133.01389	0.8
135.04510	8.5
142.71289	0.1
153.01895	0.7
161.04539	0.2
163.06052	0.2
171.09462	0.1
175.92674	0.1
179.05533	0.2
181.07143	0.8
191.05556	1.1
193.04262	0.1
234.81825	0.1
257.55551	0.1
297.09659	1.4
343.12463	4.6
359.09830	0.2
371.09521	0.2
411.44403	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03441	1.0
58.00585	0.8
59.01377	41.7
69.03433	0.6
71.01369	23.8
71.05025	0.8
72.99300	2.1
73.02948	2.6
77.21733	0.5
78.95892	2.9
79.95724	0.9
83.01373	2.4
84.95121	0.7
85.02943	7.7
85.03372	0.7
87.00867	2.9
89.02434	37.8
89.88241	0.5
93.03468	0.7
95.01362	0.9
96.95993	100.0
96.96879	4.1
97.02963	0.5
98.95582	0.9
99.04466	0.6
101.02427	25.4
109.02914	0.7
113.02444	12.0
115.00369	0.9
115.03984	0.8
115.92065	0.8
116.92065	0.5
116.92821	1.1
119.03481	16.2
125.02406	0.6
131.03474	2.2
133.01373	2.6
135.04509	5.6
141.01933	0.8
143.03456	2.4
149.67406	0.5
153.01924	2.2
159.02942	2.5
161.04529	8.0
163.06088	2.5
173.04526	0.6
179.05606	6.0
181.07178	16.6
188.83066	0.4
191.05626	8.1
197.04623	0.9
220.43707	0.5
287.61459	0.5
297.09805	0.8
343.12463	68.4
344.12955	0.9
359.06143	0.9
416.54828	0.6
457.15170	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	455.3167
Annotation	Norselic acid B
Peak:m/z	Relative Intensity
51.05806	1.3
51.65245	1.5
61.98828	25.6
66.42873	1.5
78.69399	1.5
83.05018	13.4
160.12704	1.6
203.07059	1.6
221.64502	1.7
393.31570	13.7
405.12973	2.0
437.30640	21.2
455.31665	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	455.3164
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
59.01384	1.1
61.98815	0.8
71.05005	7.8
73.02937	1.5
91.27747	0.6
93.15890	0.6
100.77946	0.6
123.08047	0.7
191.05605	1.0
194.06178	0.7
227.14442	0.8
231.35777	0.7
257.15375	1.0
270.31586	0.7
301.50082	0.6
325.21634	2.5
327.05212	0.7
337.21768	2.4
355.22751	15.7
371.25787	3.5
383.25781	2.7
393.28229	2.2
409.27390	3.3
410.73593	0.7
421.27701	5.1
437.30484	1.0
439.28568	6.4
448.99213	0.7
455.31668	100.0
456.32050	3.0
467.31381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
92.10645	0.2
92.64129	0.2
95.74487	0.2
101.89030	0.2
109.62853	0.2
137.90085	0.2
149.02252	0.2
153.09186	0.3
191.63049	0.2
227.20151	4.8
362.13467	0.2
437.30179	0.4
455.35306	100.0
456.35510	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81903	0.2
66.59078	0.2
83.75646	0.2
92.01485	0.3
92.10859	0.6
101.20026	0.3
104.16810	0.3
115.54348	0.2
182.42934	0.3
200.52394	0.3
451.94586	0.3
455.35297	100.0
456.35617	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	455.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32850	0.8
55.01917	0.7
58.27320	0.8
71.05025	1.7
83.05023	7.4
95.95699	1.1
120.70155	1.2
131.59914	0.9
190.32498	1.1
304.68329	1.0
391.30026	1.5
393.31592	2.4
395.29550	1.6
411.32602	1.8
425.30685	1.6
437.30618	17.5
455.31653	100.0
456.32010	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	455.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95193	0.5
71.05010	5.0
73.21527	0.6
123.08104	0.8
133.02924	1.4
134.82928	0.7
135.04489	1.6
141.82246	0.6
161.02452	4.7
206.59807	0.7
230.75955	0.7
330.69312	0.6
356.36905	0.6
370.38593	0.7
373.21191	0.7
375.26706	0.7
377.28442	5.3
391.29788	1.3
393.31760	0.9
395.29385	0.9
403.50632	0.6
421.27460	1.0
437.30609	23.7
455.31607	100.0
456.32074	3.0
481.29376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3167
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
52.87055	0.4
59.01394	0.4
62.19702	0.4
68.65209	0.4
83.91724	0.4
88.09382	0.5
90.23256	0.4
103.72596	0.5
114.39342	0.5
121.36453	0.4
122.28980	0.5
168.77902	0.5
177.96519	0.5
182.09201	0.4
196.98764	0.5
218.19624	0.5
298.62299	0.5
387.90009	0.5
409.31281	0.7
411.32623	14.9
437.30490	0.7
455.31647	100.0
456.32071	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	455.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51848	0.2
59.01376	100.0
59.68357	0.2
85.98089	0.2
94.18737	0.2
139.14507	0.2
191.05583	0.4
242.77011	0.2
327.04962	0.4
417.07913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43417	1.8
66.37357	1.8
81.80964	1.6
82.30798	1.7
83.34360	1.6
118.32149	1.8
135.60240	2.2
137.18791	1.7
150.24869	2.3
255.23222	14.5
264.09869	2.0
310.58325	2.1
364.84573	2.3
454.34073	21.3
455.34927	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	455.317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95895	2.1
52.28559	2.0
59.01387	4.1
67.09077	2.0
83.05019	12.2
91.71214	2.1
92.10873	9.4
97.07423	1.9
102.15687	2.5
175.21858	2.5
209.27719	2.4
250.40144	2.7
259.51968	3.0
399.12848	2.3
419.31528	4.9
437.30432	29.8
455.31635	100.0
456.31885	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	455.3166
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
59.01381	0.9
61.98838	1.1
64.33228	1.1
67.59599	0.9
71.05014	1.8
88.14515	1.0
247.76411	1.2
325.54846	1.2
353.78885	1.4
393.31601	4.0
395.29599	1.9
411.32700	1.6
417.08194	1.4
437.30768	17.2
455.31720	100.0
456.31842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60973	0.3
55.01877	7.3
57.03445	4.4
58.00586	0.7
59.01374	55.7
59.21437	0.3
61.98831	0.5
69.03444	0.8
71.01370	46.6
72.99302	2.3
73.02936	25.9
74.03252	0.4
75.00875	0.9
83.01380	13.3
83.50269	0.3
85.02939	28.0
86.00106	0.8
87.00845	3.1
89.02429	9.7
92.10180	0.5
95.01386	4.4
96.77534	0.4
96.95988	0.4
97.02931	2.4
99.00864	9.9
101.02425	61.8
101.09721	0.7
109.02926	1.6
111.00871	0.9
111.04472	0.4
113.02434	21.8
115.04014	0.5
119.03517	0.9
119.05001	0.4
121.02911	0.6
123.04551	0.4
125.02405	3.0
129.01906	2.0
131.03517	1.5
133.02913	3.8
135.04527	3.9
141.01935	0.4
143.03471	1.9
148.34746	0.4
149.04568	0.5
159.03003	4.2
161.02486	0.5
161.04539	16.5
163.03999	0.8
171.10205	0.6
175.04086	0.5
179.03452	0.9
191.05550	2.8
205.92897	0.4
248.32335	0.4
263.14990	72.3
264.15265	0.7
284.03311	2.6
285.04089	2.2
297.04071	4.8
298.04791	3.8
299.05670	5.1
300.05701	0.7
307.13849	0.6
327.05075	21.7
328.05453	0.8
329.05719	2.2
357.06122	5.3
395.19211	100.0
396.19565	1.9
417.08328	18.3
419.08917	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	455.169
Annotation	Kushenol G
Peak:m/z	Relative Intensity
55.01885	1.2
56.09258	0.6
57.03442	1.0
59.01375	36.6
59.01672	1.3
60.46252	0.5
61.98822	3.9
70.99498	0.6
71.01368	12.3
73.02934	6.6
77.98175	0.7
78.95890	44.4
83.01394	3.3
83.05051	0.8
85.02943	6.7
87.00900	0.8
89.02432	5.5
93.03435	1.1
95.01431	0.8
96.96940	3.7
99.00852	1.4
101.02431	11.4
102.01102	0.6
106.04221	0.7
109.02937	0.9
111.08126	1.3
113.02436	7.1
119.03513	1.5
120.16393	0.6
121.80925	0.6
123.04501	2.4
135.04469	2.4
137.09825	0.7
152.99573	50.3
161.04535	1.5
164.04861	1.2
165.12828	19.9
171.00630	6.3
179.07140	0.9
183.13882	100.0
189.12811	8.4
191.05547	4.5
209.11829	3.7
213.09203	1.1
227.03304	3.4
227.12897	24.9
233.11807	11.4
245.04196	0.9
245.70140	0.7
257.08215	3.8
277.16534	13.7
299.05484	0.8
327.05057	4.5
363.12241	2.9
367.15649	1.0
405.00815	0.7
409.15555	0.8
409.20819	17.3
417.08185	2.9
419.22849	1.5
437.15686	3.4
441.66336	0.7
455.16864	83.4
456.17203	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	454.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69941	0.1
59.01362	0.4
60.99302	0.4
65.85827	0.1
66.06052	0.2
71.01386	0.2
73.02917	0.2
75.02142	0.1
78.95903	0.3
85.02934	0.3
87.00859	0.3
88.98788	2.8
89.02455	0.4
93.03462	0.2
96.95988	4.4
96.96936	0.3
99.00868	0.3
99.92567	5.5
103.84229	0.2
110.06107	0.2
116.92844	100.0
117.01942	0.7
117.80203	0.2
117.92828	0.9
120.34930	0.2
139.03987	0.2
163.04044	0.2
164.01196	0.3
173.02388	0.2
177.01854	0.2
189.05563	0.3
191.05630	1.5
217.05074	0.2
218.05708	1.3
233.08212	0.3
249.07622	0.2
251.09241	0.8
436.98196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13851	0.4
54.80832	0.4
59.01374	11.7
67.08611	0.5
71.01368	8.2
72.99319	0.5
73.02930	1.1
78.95880	0.7
79.95718	0.7
81.95288	0.9
83.01366	0.5
85.02952	3.1
87.00888	0.9
87.04491	1.2
89.02432	9.3
92.10888	0.6
93.02910	0.6
93.03415	4.7
95.01359	0.4
96.95992	98.4
97.02952	0.7
97.95936	3.5
97.96457	0.5
98.95576	100.0
98.96405	17.4
99.00834	0.8
99.92566	16.2
100.93348	9.9
101.02415	5.5
105.22717	0.5
108.02169	0.8
109.02965	0.6
113.02423	2.1
115.92057	70.5
116.92110	1.0
116.92840	22.9
117.03470	0.8
119.03492	2.3
119.04981	8.0
121.02934	12.9
123.00925	0.5
131.03491	3.2
145.02904	1.9
161.04568	2.0
173.04510	1.9
179.05620	1.0
181.04985	0.9
191.05585	8.6
192.05994	0.7
193.06036	1.2
210.97031	3.2
218.97606	4.8
220.95456	8.9
228.98076	0.5
234.97040	9.1
236.94931	2.8
246.96967	2.9
250.96533	0.7
252.98045	0.8
263.11261	3.8
263.97296	0.8
264.97958	1.1
278.95831	0.8
279.96564	0.5
313.01642	0.9
323.13330	0.9
333.00650	1.1
341.10745	4.0
355.10095	0.6
356.10919	0.5
357.10883	2.3
375.01776	37.7
376.01529	0.9
382.73672	0.5
393.02814	1.0
395.15466	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	453.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56954	0.9
52.77160	1.1
53.36089	0.8
54.81879	1.0
63.77725	0.9
64.88902	0.8
70.81131	0.8
73.46553	1.1
78.51380	0.9
91.45644	1.0
110.39284	1.0
131.25771	1.1
148.64720	1.1
301.61597	1.0
331.46964	1.1
453.33755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.337
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.81233	0.2
64.32954	0.2
82.98679	0.2
85.07586	0.2
85.13655	0.2
89.93979	0.2
97.06586	0.4
99.92533	0.2
118.92593	0.2
120.33937	0.3
169.08231	0.2
203.01465	0.2
218.97551	0.2
229.09238	0.2
262.96570	0.3
407.33115	2.2
453.33731	100.0
454.33978	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81576	0.3
63.48299	0.3
83.20374	0.3
85.27863	0.3
85.29216	0.3
105.96305	0.3
115.86555	0.3
117.08382	0.3
150.82230	0.4
196.22971	0.4
262.96771	0.5
327.05066	0.4
345.30826	0.4
417.08298	0.5
453.33768	100.0
454.34067	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	453.337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12193	0.1
64.12584	0.1
155.16483	0.1
194.15424	0.1
299.17575	0.2
309.64352	0.2
453.33755	100.0
454.34012	2.1
468.05951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40880	12.5
53.08733	11.9
54.77354	13.9
59.01371	94.6
69.93743	14.9
92.10772	30.4
103.04012	94.4
201.63135	15.1
221.38611	16.6
275.17188	16.5
327.04977	17.3
352.03375	16.1
453.22598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85555	9.4
56.73148	10.4
58.83242	11.5
59.01383	30.1
61.98828	84.1
64.13295	12.1
82.95416	60.8
86.66903	11.5
93.14471	13.1
116.64458	11.7
141.77744	12.6
191.05605	21.6
191.44017	13.1
228.13342	13.8
275.31436	14.1
327.05057	30.0
397.59128	13.2
417.08124	27.6
453.22559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02802	10.4
59.01388	17.9
61.98857	10.6
71.04982	10.1
77.47781	10.7
78.07035	10.3
89.64307	9.3
93.09957	14.2
126.37234	13.9
133.02904	14.2
165.53693	12.5
191.05609	13.1
297.03897	11.6
317.08853	13.2
327.05206	100.0
357.06351	13.7
417.08237	62.8
453.22803	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	453.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93702	11.2
59.01385	100.0
61.98831	58.3
71.01382	24.7
84.92142	12.1
86.17580	11.7
89.02421	19.0
97.82237	10.8
106.37208	11.6
116.66487	12.4
120.16510	11.3
125.02474	13.0
133.02919	15.8
135.04482	19.7
191.05647	57.3
263.82214	12.4
327.05063	80.5
417.07953	90.2
453.20795	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66011	10.5
57.33471	10.7
59.01371	98.7
61.98818	50.7
62.53944	10.5
71.01376	20.2
76.28284	12.9
85.02970	13.9
85.36173	11.5
92.10811	45.3
93.03451	17.8
103.42651	14.3
113.02462	14.3
114.36457	12.1
116.91656	12.6
140.76445	12.0
191.05627	100.0
321.52078	16.3
327.05170	58.8
417.08081	56.3
453.21970	99.1
475.18198	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03446	1.0
58.00597	1.2
59.01375	77.8
60.69363	0.5
66.83151	0.5
69.03440	0.6
71.01370	46.7
72.99288	1.4
73.02935	16.5
78.37209	0.6
83.01388	1.5
84.29578	0.7
85.02955	8.2
86.70488	0.5
87.00872	1.2
89.02428	100.0
92.10146	2.6
95.01376	1.1
97.02923	1.1
99.00863	25.0
100.78628	0.7
101.02423	26.8
113.02439	13.4
119.03477	13.7
125.02399	2.9
131.03468	10.8
132.62553	0.6
137.74939	0.6
143.03482	0.9
146.50430	0.7
149.04544	28.9
152.17749	0.5
161.04530	2.3
179.05603	5.1
191.05594	10.2
221.06586	1.0
251.07642	4.2
261.13391	3.0
292.06668	0.6
293.08820	0.7
393.17673	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.3
57.03447	3.3
58.00587	0.9
59.01376	60.5
61.19025	0.6
69.03479	0.9
71.01376	47.5
72.99306	0.9
73.02940	21.7
73.03325	1.0
75.00838	0.7
83.01391	11.2
85.02947	30.0
87.00903	2.9
89.02438	7.5
92.10190	1.3
95.01389	3.8
97.02929	1.0
99.00857	9.5
99.08131	1.0
101.02432	61.3
113.02444	23.5
114.29847	0.8
125.02412	1.2
129.01875	1.5
143.03490	2.9
149.04488	1.0
159.02954	5.5
160.26173	0.7
161.04543	27.0
191.05609	1.4
207.19600	0.8
261.13419	100.0
262.13687	1.4
305.12585	1.2
393.17670	97.2
394.18060	3.4
453.23340	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	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03456	1.5
58.00596	2.2
59.01375	100.0
60.01713	0.3
61.98818	0.3
63.07427	0.3
63.42299	0.3
65.95663	0.3
69.78927	0.3
71.01369	47.9
72.66035	0.3
72.99296	2.7
73.02933	9.1
78.95908	0.4
81.03405	0.4
83.01383	2.8
84.31116	0.4
85.02934	10.3
85.03416	0.5
86.00103	0.6
87.00861	6.5
89.02425	92.8
95.01392	0.7
96.95991	5.9
97.02919	0.7
99.00874	0.6
101.02419	33.0
111.00867	0.6
113.02434	9.3
116.92835	0.6
119.03469	7.5
119.04980	0.7
125.02382	1.4
131.03474	37.0
135.04456	0.5
141.74702	0.4
143.03522	0.7
149.04532	49.3
161.04530	1.7
173.04594	0.4
179.05498	1.7
189.05518	2.4
191.05592	18.1
251.07710	0.9
261.13348	2.4
270.12256	0.4
311.09827	0.7
393.17645	47.0
394.17770	0.5
427.24185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.81248	0.1
67.01868	0.2
74.28633	0.1
76.78792	0.1
77.09634	0.1
79.95718	1.7
85.02937	0.2
87.00864	0.3
93.03431	2.7
96.95985	100.0
99.93578	0.2
106.95614	0.2
111.04536	0.3
114.67479	0.1
121.02931	2.3
138.77614	0.1
173.04497	2.0
181.04987	0.3
191.05589	6.2
202.98685	0.3
289.02319	0.2
337.09021	0.2
355.10327	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	453.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21920	0.1
51.77626	0.1
59.01364	0.5
61.52574	0.1
65.93786	0.1
66.93673	0.1
67.80157	0.1
78.95887	1.3
79.95718	2.0
84.61713	0.1
85.02946	0.2
86.22598	0.1
93.03440	0.2
96.95990	100.0
98.95575	1.2
98.96127	0.1
99.92547	0.1
177.14989	0.1
191.05591	1.3
191.32260	0.1
373.00165	0.2
429.19202	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	453.08
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05894	0.3
55.04539	0.3
57.03453	0.9
59.01367	5.8
59.05407	0.4
60.99313	2.1
65.17095	0.4
67.01884	6.2
69.03462	0.6
71.01363	5.9
72.99284	0.5
73.02943	0.9
73.79382	0.4
78.26733	0.5
78.95889	16.8
79.95742	0.5
81.03480	0.6
83.05022	1.0
85.02946	6.3
87.00858	9.7
88.13088	0.4
89.02461	0.5
93.03437	42.4
96.96000	44.3
96.96956	20.7
99.00863	2.1
101.02436	1.0
107.37934	0.5
109.02970	1.7
110.98531	4.4
111.00864	0.6
111.04520	8.3
112.98808	5.3
113.02464	1.9
115.00356	2.1
117.57076	0.4
119.05009	2.1
121.02937	30.6
127.04011	1.7
129.01945	0.7
129.52670	0.4
131.03526	0.5
135.04543	1.9
137.02406	0.5
139.00378	1.5
140.27716	0.4
142.99870	4.7
149.06017	2.0
155.03487	2.1
157.01404	2.0
163.03944	0.8
171.03040	0.7
173.00970	4.9
173.04524	39.7
175.02455	2.5
175.03914	0.7
181.05069	10.9
181.07018	4.9
191.05600	100.0
192.05974	0.6
197.92349	0.5
233.06662	1.8
237.04108	0.6
261.00735	3.9
261.03809	4.3
265.48428	0.4
270.98837	0.5
337.09171	4.3
355.10358	69.7
356.10825	0.9
460.56937	0.5
472.51376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78762	0.2
54.81160	0.2
59.01371	0.5
67.01881	0.5
69.99315	0.2
71.01381	1.0
78.95903	2.6
79.95718	1.1
85.02934	1.1
87.00858	1.6
93.03426	5.0
96.95988	100.0
96.96980	3.2
98.95602	0.2
99.00848	0.3
109.02954	0.2
111.04512	0.9
112.98782	0.5
114.12066	0.3
121.02930	3.7
130.71172	0.2
146.89850	0.3
155.03464	0.3
171.61281	0.2
173.00806	0.4
173.04524	4.0
181.05045	1.0
181.07135	0.4
191.05606	14.1
261.00858	0.4
261.03775	0.9
290.93896	0.2
355.10336	8.8
356.10522	0.4
402.14969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93528	0.1
55.56593	0.1
59.01377	0.8
63.29319	0.1
63.83293	0.1
67.01869	0.1
69.03442	0.1
71.01366	0.4
71.08801	0.1
78.95908	0.2
79.95713	1.5
82.95406	0.7
85.02929	0.6
87.00850	0.7
88.98779	0.1
92.10804	0.4
93.03444	1.4
96.95990	100.0
98.95574	0.9
100.96590	0.1
102.88609	0.1
109.02969	0.2
111.00928	0.2
111.04491	0.5
113.62194	0.1
115.00335	0.6
119.05000	0.1
121.02932	1.9
121.04882	0.1
135.04491	0.3
138.97931	0.1
139.00333	0.2
149.02454	0.1
149.05997	0.3
155.03467	0.3
157.01375	0.5
157.05038	0.2
173.04555	1.2
175.02464	0.7
181.05069	0.5
189.01678	0.1
191.05591	4.7
205.50165	0.1
222.90764	0.1
233.06415	0.1
237.03877	0.5
289.02670	0.1
339.07495	0.2
355.06555	0.2
355.10394	2.5
363.06845	0.2
371.09872	0.1
375.06882	0.3
393.08194	0.9
397.64304	0.1
409.99942	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	453.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	9.1
61.98823	0.7
64.33454	0.5
71.01384	4.2
72.21645	0.5
73.02916	0.8
83.01343	0.6
83.04994	0.5
85.02955	1.1
87.00883	0.7
89.02444	6.5
92.36407	0.6
93.03448	1.0
93.81039	0.5
101.02431	2.4
105.03430	0.6
109.02914	4.0
113.02464	2.1
119.03448	1.3
119.04987	1.3
121.02899	3.2
125.02480	0.8
133.02937	23.1
134.03705	0.8
135.04500	2.6
137.02402	3.7
147.04486	2.3
149.02417	2.6
149.04558	1.1
151.00421	1.2
151.04053	0.7
161.02409	4.7
162.80112	0.6
163.00394	5.3
163.03989	4.3
165.01912	41.7
169.43321	0.6
175.03975	7.8
177.01956	1.2
179.03430	1.2
179.05551	0.6
180.04269	25.8
183.06535	0.6
189.01842	0.7
191.03488	2.9
191.05551	3.2
193.01305	1.2
195.06615	49.9
199.03947	2.9
201.01915	3.2
203.03444	2.2
206.34016	0.6
211.03975	1.1
212.04771	0.9
213.05553	1.0
217.05005	0.9
219.02959	0.5
225.05565	3.1
227.03456	2.9
229.05074	0.7
240.04295	1.2
241.04984	1.1
243.03040	0.7
243.08752	3.8
251.03146	0.6
253.04941	2.9
255.02892	2.3
255.06505	1.3
261.13394	1.2
269.04562	2.4
273.47955	0.6
283.06015	0.9
284.03262	13.3
285.03983	20.5
297.04031	43.7
298.04782	24.3
299.05588	22.9
309.04083	1.2
311.05609	8.2
321.18973	0.7
324.02643	3.0
327.05106	100.0
328.05612	1.6
339.05093	9.7
341.06616	3.1
353.06665	1.2
357.06165	68.0
358.06613	1.3
363.05103	1.1
369.06107	2.7
381.06079	5.9
393.17633	5.4
399.07117	2.7
417.08289	65.9
418.08606	2.6
435.91599	0.6
453.18222	0.8
454.10495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81276	0.3
55.01883	0.4
57.03449	1.9
58.00599	0.4
59.01376	100.0
61.98835	4.3
67.01904	0.4
69.03448	0.5
69.47949	0.3
71.01369	16.1
72.99281	0.5
73.02935	8.1
83.01367	3.1
83.05014	0.3
85.02944	8.0
87.00871	2.2
87.04513	0.7
88.98844	0.5
89.02433	11.8
92.10059	0.6
93.03456	3.0
95.01369	1.4
96.95996	17.3
99.00882	0.7
101.01819	0.6
101.02435	11.4
109.02925	1.9
111.04553	0.7
113.02454	8.1
116.92827	0.4
119.03493	3.4
121.02901	0.6
123.04490	0.7
125.02381	1.4
127.03925	0.4
131.03520	0.4
135.04510	1.9
143.03450	0.4
153.01944	0.5
161.04576	2.9
167.10695	0.4
173.04507	1.4
187.04161	0.4
187.13390	5.1
191.05608	20.3
192.06000	2.8
193.06165	0.5
201.88277	0.4
237.55385	0.4
252.16347	0.4
325.74088	0.4
331.17630	13.7
347.17041	0.7
349.18710	8.7
353.08588	0.5
365.18143	1.4
388.16879	0.4
391.19824	13.6
405.21356	0.6
407.18936	0.6
436.32819	0.4
450.61823	1.4
451.12021	0.6
451.17722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98824	100.0
67.01879	0.4
72.76589	0.3
74.44087	0.3
77.86206	0.3
85.02898	0.4
87.00864	0.4
93.03463	1.4
96.30239	0.3
121.02934	0.5
124.01651	0.4
135.04533	4.7
136.04869	2.9
137.04979	1.4
151.03986	0.5
173.04524	0.5
179.03412	0.6
180.03802	0.4
181.04013	0.4
191.05598	2.3
233.37637	0.3
240.07072	0.3
241.47289	0.3
311.09595	0.4
417.26834	0.4
452.15524	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	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.64455	0.2
78.95887	19.0
117.49723	0.2
118.84749	0.2
122.00125	1.0
134.98477	0.3
140.01161	6.2
152.99594	1.8
154.52426	0.2
164.19089	0.2
166.15295	0.2
196.03775	8.7
214.04863	1.6
242.70116	0.3
255.23280	100.0
256.23782	1.9
311.87119	0.3
327.04794	0.3
417.08267	0.3
452.27838	22.4
453.28519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91484	0.3
58.94897	0.4
59.01384	4.2
71.01372	1.9
79.95729	2.2
81.95300	0.5
84.93842	0.5
85.02948	3.4
85.49665	0.5
87.00898	0.5
89.02430	0.7
93.03416	2.0
96.95991	100.0
97.95914	1.9
98.95576	74.6
98.96400	14.1
99.92564	25.5
100.93351	4.9
101.02406	1.0
101.03058	0.5
102.02519	0.5
109.02955	0.8
111.04518	0.7
115.92056	31.7
116.92826	6.5
119.03496	0.5
126.94863	0.4
133.02927	3.1
134.03743	2.7
135.04486	7.4
161.02452	0.7
168.96031	0.5
172.96796	0.6
173.06107	0.8
179.03435	3.2
191.03986	0.8
191.05595	16.1
192.05940	3.2
193.06062	2.9
210.96991	2.4
215.95158	7.7
216.95973	4.1
217.96744	11.1
218.97554	18.4
219.94731	4.0
220.95380	0.7
221.96190	2.1
227.51656	0.5
234.96992	3.1
238.96489	0.7
244.95412	0.6
256.97513	0.8
260.94891	0.7
261.95682	3.2
262.96530	20.2
276.26285	0.5
278.95911	0.9
307.08215	1.0
373.00195	38.4
374.00528	1.1
391.01099	2.0
434.99991	3.6
453.23175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26161	1.4
57.03441	1.8
59.01377	21.8
60.99304	3.2
67.01877	12.5
68.02205	2.3
69.03471	1.9
70.03820	1.7
71.01375	9.3
81.03454	3.7
85.02943	15.6
86.03280	2.6
87.00864	15.8
88.01205	3.2
92.10823	3.4
93.03442	80.6
93.04045	2.9
94.03772	24.4
96.95976	2.7
99.04506	1.6
109.02948	1.9
111.04527	10.8
112.04864	2.9
113.02399	2.2
113.35844	1.7
117.03439	7.7
124.01631	2.4
125.02371	1.8
127.04037	3.1
128.77925	1.6
133.02975	1.8
134.03735	10.1
135.04541	26.7
136.04840	10.7
137.05017	6.6
151.03976	2.7
152.99593	1.8
160.01659	11.6
161.02136	8.0
162.03262	2.1
166.46440	2.1
171.03040	1.7
173.04553	19.3
174.04900	11.3
175.05054	8.6
177.02003	1.7
179.03542	3.1
180.04071	1.7
189.01955	2.8
191.05603	100.0
192.05972	55.9
193.06058	64.8
259.02463	3.8
259.08737	2.3
274.04880	2.1
275.09048	1.7
277.09741	2.3
289.07248	2.7
309.09326	1.6
341.06531	1.6
353.08038	3.7
354.08835	3.0
451.15189	38.3
451.20947	3.2
451.28674	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	451.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	45.6
60.28671	4.4
61.98840	5.5
70.24115	5.6
71.01392	12.5
72.97891	4.8
83.01379	7.7
85.02950	12.4
87.00900	9.6
93.03440	52.8
96.96023	7.4
109.02941	31.7
111.04498	6.1
125.01219	5.2
125.02363	8.2
129.10133	5.4
135.04483	22.4
151.00363	25.7
152.00645	6.6
153.00865	6.9
153.01917	74.2
166.16350	5.7
173.04469	9.7
191.05589	100.0
192.05933	31.1
193.06099	27.3
218.88293	5.4
289.06268	7.5
391.23148	6.9
451.10471	9.1
451.16031	40.7
451.21216	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69950	1.1
58.93255	1.1
59.01381	8.3
64.74352	1.1
67.01890	5.0
67.83327	1.3
81.03432	1.4
85.02936	17.0
86.03272	1.1
87.00882	5.8
91.01907	2.8
92.10197	2.6
93.03439	30.3
94.03796	2.9
98.15557	1.2
99.04565	1.2
104.24582	1.5
107.93274	1.3
109.02946	18.8
111.04516	7.1
120.45271	1.3
123.04496	5.2
124.01675	3.2
125.02451	11.5
127.04006	2.8
133.02905	1.9
135.00867	12.6
135.04515	1.3
136.75572	1.4
137.02449	16.2
137.88260	1.3
149.99544	5.7
150.80331	1.5
151.03934	2.3
153.01909	10.3
161.02399	3.1
168.00648	19.7
173.04488	6.6
177.01878	10.8
189.01923	20.0
190.02675	6.2
191.03767	3.9
191.05603	100.0
192.05922	22.2
193.06076	22.5
203.03473	1.3
204.68436	1.3
216.00743	1.6
217.01393	13.7
219.03052	2.9
231.02940	5.5
231.09253	1.5
236.93346	1.3
257.08374	2.6
258.08475	2.1
259.08801	1.9
284.79306	1.4
313.05682	1.8
331.06876	6.3
341.06723	30.2
386.70886	1.3
405.11758	5.7
451.09131	20.6
451.15747	12.7
451.21146	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71864	0.3
69.05026	0.3
82.22015	0.3
89.03942	0.6
91.01873	0.7
93.03452	0.7
95.05031	1.4
103.05535	0.7
105.03455	0.4
108.02155	1.3
109.02935	35.4
117.03471	1.5
119.05002	1.9
121.02929	0.6
123.04494	18.7
133.02928	5.5
135.00879	0.5
135.04509	0.4
137.02414	0.5
145.02898	2.5
147.04498	6.2
149.02408	1.3
150.03191	1.6
151.03989	8.8
159.04460	1.7
161.02409	8.3
162.03192	1.6
163.03967	0.6
175.03966	0.5
176.01158	1.5
177.01909	32.6
187.03937	2.4
189.01907	78.2
190.02696	17.6
191.03473	16.3
191.05350	0.4
195.85620	0.3
201.01862	0.4
203.03496	8.9
215.03625	0.3
216.00615	15.0
217.01401	41.3
218.02097	2.5
219.02966	17.2
231.02959	12.2
231.04951	0.4
232.03619	0.5
233.04562	1.4
259.48862	0.3
281.04578	1.3
289.07086	2.2
297.07822	1.2
323.05609	1.7
327.34216	0.3
341.06656	100.0
342.06976	2.2
451.10342	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	451.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.5
67.01852	0.5
71.01360	0.6
79.63641	0.5
80.91678	0.8
82.95357	0.6
85.02933	0.8
87.00848	0.7
89.02412	0.7
92.10109	0.9
93.03438	3.0
95.04993	2.5
96.95985	1.0
97.02985	0.5
101.02406	1.2
103.05519	1.0
105.03412	0.6
109.02937	38.7
117.03384	0.8
119.05009	0.8
121.02950	2.0
122.03720	1.2
123.04500	19.8
133.02916	6.5
135.04492	1.0
142.76836	0.6
145.02887	1.9
147.04483	6.8
148.01654	0.7
150.03156	2.2
151.00349	0.9
151.03955	7.5
153.01913	13.6
159.04430	2.2
161.02402	7.2
162.03146	1.1
163.03856	0.7
176.01106	0.8
177.01906	32.8
187.03976	2.7
189.01913	80.9
190.02695	16.4
191.03455	16.4
191.05531	4.5
200.13916	0.6
203.03543	9.1
216.00630	13.5
217.01408	40.6
218.02104	3.4
219.02985	19.3
231.02951	16.7
232.03752	1.0
233.04543	0.7
281.04471	1.0
289.03445	1.1
289.07159	2.5
305.04532	0.6
323.05533	2.3
341.06650	100.0
342.06967	2.4
391.23224	0.7
451.10373	25.5
451.15848	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.2
61.98833	0.7
65.51669	0.7
67.01889	3.7
69.03453	4.3
71.01382	3.1
81.03442	1.5
83.01403	1.1
85.02962	4.1
87.00853	6.1
92.10120	1.6
93.03436	72.3
94.03795	2.8
95.01382	3.3
97.02923	3.3
107.01354	0.9
109.02953	4.7
111.04508	5.7
121.02954	1.2
123.00846	11.7
123.04486	1.0
124.01627	28.1
125.02420	50.5
129.01846	1.0
133.02971	1.3
135.04510	6.6
136.01564	1.0
137.02423	75.9
145.25647	0.7
149.99564	52.9
151.00375	5.8
151.03934	1.1
155.03590	1.0
161.02483	1.6
161.06381	0.8
167.03539	0.8
168.00621	89.4
169.01422	8.6
173.04482	8.0
174.04851	1.3
177.01939	0.9
187.49849	0.7
189.01790	1.2
191.03802	1.1
191.05566	21.9
192.05890	1.7
193.05905	1.1
217.01595	0.8
227.03503	4.9
249.11327	1.4
261.82632	0.9
277.10739	3.1
287.05447	1.2
313.05673	17.9
331.06702	40.8
337.66806	0.8
341.06622	5.6
451.08832	100.0
451.15857	23.2
452.08923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
63.65628	0.1
65.00317	0.3
65.03957	0.3
67.01869	0.2
68.99818	0.2
71.01372	0.2
76.41595	0.2
81.03454	0.2
82.63747	0.1
84.42626	0.1
85.02947	0.2
89.02384	0.2
89.03950	1.0
91.01878	0.8
92.10142	0.1
92.24403	0.1
92.25002	0.2
93.03429	1.4
95.05013	1.7
95.27733	0.2
99.37842	0.2
103.05516	1.0
105.03448	0.8
108.02171	1.3
109.02939	39.8
117.03448	1.6
118.32655	0.1
119.05009	1.9
121.02934	1.0
122.03722	1.0
123.04504	21.2
125.02425	0.3
133.02939	6.1
134.03712	0.2
135.00864	0.8
135.04527	0.7
137.02394	0.2
139.03943	0.2
145.02945	2.7
146.03700	0.3
147.04512	7.3
148.01646	0.3
149.02441	1.2
150.03210	1.4
151.03999	9.1
159.04497	2.7
161.02428	8.5
161.06081	0.2
162.03178	0.9
163.03976	0.9
165.63441	0.2
173.02467	0.4
173.04430	0.2
175.03970	1.1
176.01118	2.1
177.01917	33.8
178.02257	0.3
179.03439	0.2
187.03990	2.4
188.01210	0.2
188.04723	0.2
189.01921	86.0
190.02701	18.5
191.03497	17.4
191.05496	1.2
192.03920	0.2
192.05965	0.2
193.06183	0.3
201.01921	0.4
203.01595	0.3
203.03497	10.0
205.05026	0.3
216.00632	13.4
217.01410	44.2
218.02145	2.9
219.02980	18.1
220.03140	0.2
222.01808	0.2
229.01407	0.2
231.02972	15.3
232.03738	1.5
233.04507	1.5
245.08189	0.3
253.05046	0.2
255.06674	0.3
281.04507	1.2
289.07126	2.2
297.07755	0.6
299.05450	0.2
305.04556	0.4
323.05576	2.0
327.05301	0.2
341.06659	100.0
342.07059	2.4
447.14355	0.2
451.10345	24.3
452.10724	0.6
468.93765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27621	0.1
59.01376	0.2
71.01375	0.2
79.95732	1.3
85.02934	0.8
87.00853	0.2
88.97082	0.1
93.03447	0.2
96.95991	100.0
119.25124	0.2
119.66586	0.2
127.03970	0.2
161.02399	0.2
191.05609	14.2
223.44751	0.2
227.82253	0.1
228.82805	0.2
326.32596	0.2
331.49985	0.2
353.08832	1.9
471.29761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54808	0.3
56.38054	0.2
57.03432	0.5
59.01379	2.1
68.99866	0.3
71.01376	1.6
73.02949	0.5
79.95724	1.8
81.03443	2.3
83.01372	0.6
85.02931	1.7
87.00845	0.5
93.03438	1.8
95.01350	0.4
95.05001	0.6
96.95991	100.0
97.02922	1.5
98.95573	6.0
98.96284	0.5
99.00851	0.7
99.04510	1.7
99.92570	1.6
105.03461	0.4
107.01387	0.6
107.05013	0.4
109.02944	3.7
111.04501	1.4
113.02447	0.8
115.92048	1.3
116.92833	2.5
121.02922	1.8
123.04493	2.0
125.02423	9.6
133.02919	3.6
134.03679	1.5
135.04497	2.0
137.02434	6.4
139.03973	1.1
147.00916	0.4
148.01622	0.6
149.02452	3.4
151.00333	1.4
151.03947	1.5
153.01878	0.7
154.58624	0.3
155.03545	0.5
161.02408	0.6
163.00343	2.1
163.03973	0.5
164.01093	0.5
165.01906	2.5
165.39142	0.4
167.03465	8.4
167.33995	0.3
174.87151	0.4
175.00388	0.6
177.01933	3.2
178.02629	1.5
179.03494	3.4
183.02913	0.4
191.05588	20.2
193.01421	5.7
195.02934	1.6
197.04535	2.9
205.01360	1.6
206.02072	0.5
207.02991	2.3
211.02467	0.5
214.24948	0.3
215.95018	0.5
219.02901	0.4
221.00893	0.7
223.02469	2.5
225.04019	3.1
233.00284	0.3
235.02440	0.6
237.03928	0.4
251.02032	3.1
253.00858	0.3
253.03496	0.6
255.05013	0.6
257.06610	1.6
262.96442	0.4
274.66217	0.3
278.96063	0.4
279.05295	0.3
281.02939	1.3
283.04529	0.6
306.07422	1.4
339.04956	0.3
341.05106	0.6
343.04370	1.2
353.08624	1.9
361.05582	7.9
391.06863	3.0
407.00574	0.4
434.33762	0.3
449.35956	0.3
451.08804	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	450.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19175	0.3
54.81744	0.4
56.26793	0.3
59.01367	0.7
61.98824	100.0
81.07999	0.3
83.52633	0.3
93.03493	0.4
96.96019	0.5
110.22279	0.4
118.26545	0.3
135.04636	0.3
191.05576	1.3
191.30615	0.4
209.51743	0.4
308.15143	0.3
326.28864	0.4
461.05609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01654	0.7
56.28850	0.7
59.01386	1.6
61.70940	0.8
61.98823	100.0
63.50913	0.7
78.95875	1.4
80.97463	1.2
88.67714	0.7
93.03424	2.1
93.98753	0.7
96.87434	0.8
96.96001	1.5
101.06026	0.8
101.19810	0.8
168.33635	0.9
191.05580	5.3
223.04437	0.9
387.04901	0.9
450.15161	3.3
450.33258	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	450.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72464	0.5
55.01876	1.0
57.03442	1.6
58.87736	0.6
59.01374	100.0
60.01708	6.3
60.99307	1.4
61.98819	9.0
67.01891	5.0
68.96065	0.5
69.03427	0.9
71.01369	15.3
73.02939	4.4
81.03434	1.4
83.01363	2.3
83.04989	1.5
83.72813	0.5
85.02939	16.0
87.00861	9.9
88.14577	0.6
89.02425	9.0
92.10808	2.4
92.66740	0.7
93.03442	34.3
94.03784	4.6
95.01369	0.7
96.95971	1.0
99.00857	1.0
99.04501	1.0
101.02405	10.1
108.02187	1.1
109.02938	33.8
111.04489	3.7
113.02407	4.9
115.00346	4.0
119.03465	3.1
119.05005	0.9
121.02886	1.1
127.03990	4.4
133.02940	3.1
134.03613	3.3
135.04460	4.3
137.02382	1.6
150.03293	0.9
155.03481	1.3
156.51544	0.7
159.04465	1.4
161.02399	3.9
161.04515	3.8
171.02931	0.7
173.04544	14.2
173.05949	1.2
174.04837	1.1
175.03934	1.2
177.01759	1.0
179.03452	0.9
179.05658	0.9
187.04016	0.9
187.07672	1.2
188.07945	1.0
191.05605	84.2
192.05934	10.6
193.05051	3.9
229.01353	0.7
231.04985	0.7
242.05728	1.0
243.06665	0.9
245.04494	1.2
258.08389	0.8
267.06421	0.8
295.06091	6.3
298.04327	1.2
299.04614	1.3
300.05164	1.2
301.05545	0.8
327.08673	4.6
328.05338	1.3
329.05606	1.1
330.05942	4.6
353.08887	2.5
358.06357	0.9
360.07098	4.6
379.08353	1.0
389.21799	14.7
390.22156	20.5
434.10257	6.0
434.60379	3.8
441.11176	3.3
441.61298	1.3
450.11475	25.4
450.61771	12.5
463.11139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86049	0.5
57.03453	2.8
59.01384	2.7
61.98839	2.4
62.96402	1.2
64.93035	0.5
71.05008	1.4
78.95876	6.3
80.36473	0.5
80.97465	3.8
87.00861	0.8
92.10141	2.3
93.03456	3.7
101.06049	5.8
114.24984	0.6
149.00081	1.4
173.04527	2.7
191.05609	6.2
205.16026	1.1
329.24750	1.2
331.26147	0.7
341.24963	0.8
343.26364	13.4
345.28040	7.9
355.16727	2.4
385.17743	2.6
385.30954	1.2
389.30682	1.2
405.33951	0.7
442.33426	0.6
449.15054	8.0
449.32739	100.0
450.33096	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	450.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86108	0.9
59.01374	6.6
59.01637	1.1
61.98829	1.8
63.02423	1.2
65.00314	12.2
66.00668	1.5
67.01904	1.8
71.01404	1.7
83.01384	4.9
85.02962	6.0
87.00864	6.8
88.51740	1.2
92.63277	1.1
93.03445	18.0
94.03789	1.5
104.01254	1.3
107.01383	25.2
108.01715	6.1
109.02952	13.6
110.03263	1.6
111.04502	1.8
125.02422	2.9
133.02951	2.2
135.04510	79.3
136.04839	41.1
151.00363	100.0
152.00699	40.5
153.16478	1.4
155.95720	1.3
158.59949	1.2
164.01099	1.5
173.04494	6.1
174.04861	2.7
177.01895	2.1
180.95511	1.1
191.05614	46.2
191.07266	1.6
192.05946	16.4
213.09242	1.8
232.10663	1.4
239.50310	1.2
258.08484	2.5
275.09161	1.3
285.03955	6.2
286.04422	13.8
287.05484	29.8
288.05875	46.8
449.10562	1.6
449.19904	2.4
450.10385	30.5
450.21133	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3272
Annotation	28-Norcastasterone
Peak:m/z	Relative Intensity
54.81758	0.2
55.07676	0.2
57.03444	4.0
59.01383	0.4
59.63087	0.2
60.99302	0.3
62.96402	0.7
68.85326	0.4
71.04995	3.2
73.63358	0.2
78.95888	3.0
80.97448	2.0
83.05009	0.5
85.02965	0.6
87.00865	0.4
92.82209	0.3
93.03460	1.8
99.04517	0.3
101.06062	4.6
134.03737	0.3
135.04485	0.4
143.71263	0.2
149.00104	1.4
173.04539	0.6
191.05598	1.9
205.15979	0.4
221.07973	0.3
252.17052	0.3
275.18994	0.3
276.40628	0.3
315.23148	0.5
317.24622	0.5
329.24796	0.6
331.26431	0.5
341.24890	0.6
343.26389	12.9
345.28024	7.6
355.16559	0.5
359.29669	1.2
363.29077	0.5
367.29987	0.3
371.29626	0.5
371.91269	0.3
385.17746	1.4
385.31161	1.3
389.26346	0.3
389.30804	3.2
449.15363	5.2
449.32739	100.0
450.33176	2.2
453.94113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03457	0.9
58.00594	0.5
59.01377	100.0
59.43249	0.4
60.65152	0.4
61.98816	0.9
64.08324	0.4
67.01880	0.5
71.01377	13.5
71.11188	0.4
73.02940	4.4
81.29490	0.5
83.01405	1.9
85.02942	9.1
86.51528	0.4
87.00860	0.9
89.02451	5.0
93.03429	5.9
95.01379	1.1
99.00881	2.7
101.02430	11.7
109.02925	0.7
113.02435	7.1
119.03477	0.7
125.02417	0.5
129.33401	0.4
134.03883	0.4
142.44505	0.4
147.11726	0.8
159.03032	0.5
161.04572	6.6
173.04576	0.9
191.05606	16.8
192.05965	0.5
210.18019	0.4
238.34099	0.4
257.08154	0.9
262.60062	0.5
284.31174	0.5
327.05350	0.5
351.65823	0.5
368.33224	0.5
389.21805	47.0
418.41220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
57.39598	0.9
58.53470	0.9
59.01376	100.0
60.99317	1.3
61.98833	6.1
64.33360	1.2
67.01890	6.5
69.16846	0.8
69.78489	0.9
71.01368	15.6
72.99301	1.2
73.02954	6.1
81.03445	1.1
83.05032	1.3
85.02938	15.1
85.94160	1.0
87.00853	11.6
89.02448	6.5
93.03437	35.4
96.95971	1.3
98.51856	0.9
99.00880	1.4
99.04471	1.1
101.02429	10.4
102.87834	0.9
108.87347	1.1
109.02950	4.1
111.04522	5.9
113.02407	7.7
117.07172	1.3
119.03484	2.0
127.04001	1.7
142.66109	1.0
159.04459	2.2
161.04507	3.6
163.26993	1.1
165.72043	1.0
169.00760	1.0
173.04564	8.4
173.05966	1.6
175.03990	1.1
183.04517	1.3
187.07613	10.6
191.05597	93.8
192.05920	1.7
198.29991	1.2
201.05675	1.2
203.10719	1.1
213.09177	3.7
243.06601	1.9
257.08194	9.8
275.09247	8.2
285.03973	4.4
286.04303	4.7
287.04617	11.4
377.13300	1.0
389.21793	44.7
405.12045	1.1
449.09320	8.9
449.14777	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81305	3.7
59.01377	52.9
67.01894	12.7
67.23012	3.3
69.03468	4.5
71.01401	7.4
73.02910	3.9
78.14697	3.0
85.02966	17.0
87.00884	14.2
92.10146	11.3
93.03439	79.8
94.27659	2.7
102.25692	3.0
108.02193	3.6
111.04523	7.7
121.02931	22.7
123.35657	3.2
124.01717	4.3
133.02911	4.3
134.03755	24.9
135.04503	100.0
137.02396	4.6
145.17172	3.1
151.04001	4.3
157.76526	2.8
160.01605	4.2
161.02489	3.5
162.03262	3.5
173.04512	24.8
177.01805	3.2
179.03499	22.1
191.05597	78.2
251.12906	13.1
251.16451	39.4
275.09299	3.8
285.04080	3.6
307.08215	4.4
308.08951	18.4
352.07898	19.2
413.21808	6.0
449.08966	3.7
449.14514	20.1
449.27087	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	449.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81305	3.7
59.01377	52.9
67.01894	12.7
67.23012	3.3
69.03468	4.5
71.01401	7.4
73.02910	3.9
78.14697	3.0
85.02966	17.0
87.00884	14.2
92.10146	11.3
93.03439	79.8
94.27659	2.7
102.25692	3.0
108.02193	3.6
111.04523	7.7
121.02931	22.7
123.35657	3.2
124.01717	4.3
133.02911	4.3
134.03755	24.9
135.04503	100.0
137.02396	4.6
145.17172	3.1
151.04001	4.3
157.76526	2.8
160.01605	4.2
161.02489	3.5
162.03262	3.5
173.04512	24.8
177.01805	3.2
179.03499	22.1
191.05597	78.2
251.12906	13.1
251.16451	39.4
275.09299	3.8
285.04080	3.6
307.08215	4.4
308.08951	18.4
352.07898	19.2
413.21808	6.0
449.08966	3.7
449.14514	20.1
449.27087	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
64.61737	0.2
67.01877	0.2
69.03475	0.4
71.01377	0.9
71.20459	0.2
73.02959	0.4
83.05005	0.4
83.83368	0.3
84.23477	0.2
85.02938	11.6
87.00852	2.0
90.46246	0.2
92.10830	0.5
93.03438	4.7
99.04504	0.3
109.02957	1.2
111.04511	1.7
127.03977	3.2
168.55252	0.2
171.03043	0.3
172.05365	2.2
173.04523	1.8
173.05939	0.3
183.04472	0.3
187.05943	0.5
187.07634	13.5
191.05600	100.0
192.05940	0.6
199.04042	1.9
200.04735	1.0
211.07610	0.3
213.09227	1.5
215.07182	2.3
227.03543	2.3
228.04205	1.5
229.08788	0.4
231.10243	0.4
257.08167	11.1
275.09186	0.9
353.28326	0.3
414.24811	0.3
449.14578	5.3
449.20413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.2
67.01894	0.5
71.01392	0.7
81.03485	0.6
83.01364	0.4
83.05024	0.6
85.02944	11.5
85.03419	0.5
87.00882	3.1
92.10154	0.4
93.03442	6.5
99.00999	0.3
99.04488	0.6
109.02949	0.7
111.04523	1.6
114.74951	0.3
127.04028	2.8
148.02063	0.3
151.58672	0.4
156.36186	0.3
161.12512	0.3
172.05261	2.0
173.04501	2.0
185.55074	0.3
185.67094	0.4
187.07628	8.9
191.05602	100.0
192.05913	0.8
197.06055	0.4
199.03957	0.5
200.04858	0.5
202.06261	0.6
211.07658	0.3
213.09222	1.7
214.06357	0.4
215.07199	1.6
227.03604	0.7
228.04230	0.5
229.08691	0.4
231.10287	1.4
257.08133	8.6
268.85672	0.4
275.09186	0.5
428.17099	0.4
449.14471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66880	0.2
57.14652	0.2
59.01385	1.5
63.93258	0.2
65.00320	0.4
67.01891	0.2
71.01388	1.2
83.01382	0.3
85.02943	12.6
86.56791	0.3
87.00865	3.1
92.10800	1.1
93.03442	4.5
95.01343	0.3
99.04527	0.4
100.03852	0.3
107.01386	1.1
109.02946	1.1
111.04488	2.0
112.88279	0.2
114.37045	0.2
125.02412	0.4
127.04003	3.2
133.02930	0.3
135.04506	3.9
151.00365	6.3
155.03448	0.3
171.02945	0.4
172.05322	2.8
173.04553	2.1
183.04500	1.1
187.03938	0.3
187.07626	13.9
191.05603	100.0
192.05927	1.2
197.63026	0.3
199.03923	1.9
200.04765	0.6
213.09251	1.1
215.07150	2.6
227.03586	2.9
228.04276	1.6
229.08673	0.4
231.10287	0.6
257.08173	12.2
275.09235	0.5
286.04367	0.3
287.05530	3.1
329.05853	0.3
449.14893	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
60.02261	0.2
64.32756	0.2
64.64290	0.2
67.01887	0.8
71.01392	0.9
73.02946	0.2
76.55702	0.2
81.03432	0.4
83.05019	0.5
85.02938	12.2
85.65626	0.2
87.00862	3.5
93.03437	8.9
97.15601	0.2
99.04519	0.4
108.76379	0.2
109.02959	1.0
111.04488	2.2
127.03994	3.1
129.64952	0.2
130.74997	0.2
134.03683	0.5
137.02371	0.2
146.03729	0.9
160.01669	0.4
171.02979	1.0
172.05261	1.0
173.04544	3.1
174.03175	0.9
178.02751	0.2
185.02304	0.3
186.03033	0.2
191.05603	100.0
192.05972	1.1
199.03996	0.4
200.01276	0.2
200.04819	1.0
201.09164	2.1
213.05553	0.3
228.07954	0.2
229.08693	4.8
231.10388	0.3
257.08191	14.8
275.09158	1.0
281.42740	0.2
333.92853	0.2
359.83194	0.2
449.14490	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78898	0.4
57.03457	0.4
59.01379	1.0
60.99315	1.9
67.01873	5.9
67.91061	0.4
69.03448	2.7
71.01374	2.9
81.03433	0.7
85.02947	2.6
87.00858	7.3
87.20770	0.4
93.03435	38.7
107.05053	0.5
108.02148	2.1
109.02991	0.6
111.00863	0.5
111.04500	4.0
114.60239	0.5
121.02931	2.7
122.03706	0.9
123.04513	0.5
124.01665	5.4
125.02412	2.9
126.03203	0.8
127.03994	1.0
129.01921	1.0
133.02954	6.9
134.03714	20.6
135.04500	100.0
136.05336	5.3
137.02425	2.4
139.04015	0.5
150.03220	3.5
151.04007	9.7
155.03528	0.9
160.01599	2.1
161.02414	3.7
173.04510	8.0
177.01926	2.1
178.02777	1.9
179.03470	25.2
180.04239	2.8
191.05608	14.8
214.95122	0.5
257.08279	1.6
275.09186	2.0
285.46457	0.5
285.85934	0.5
287.96527	0.5
290.08075	1.9
307.08170	5.2
308.08984	20.5
323.07797	0.6
351.07330	0.7
352.07986	14.0
352.11865	0.6
449.14474	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01384	3.1
59.01623	0.3
60.99300	2.1
67.01879	7.0
69.03460	2.1
71.01374	2.9
81.03457	1.7
83.05038	0.9
85.02940	10.0
85.55061	0.3
87.00861	9.4
89.03977	1.5
92.10885	0.7
93.03439	38.0
99.04527	0.8
102.94077	0.4
107.89346	0.3
108.02126	0.4
109.02936	1.5
111.04517	5.8
117.03470	6.4
121.02873	0.6
124.01659	0.7
125.02462	0.3
126.74001	0.3
127.03980	2.2
129.01904	1.5
132.02144	4.3
133.02924	2.8
134.03711	8.9
135.04504	25.7
136.05315	0.7
137.02408	1.7
142.33549	0.4
150.03204	0.6
151.04022	2.0
155.03481	0.9
160.01634	9.2
161.02463	2.1
162.03207	2.7
173.04524	13.3
177.01866	0.4
178.02687	1.4
179.03493	4.7
180.04265	0.5
184.95465	0.4
191.05603	100.0
192.05873	0.6
231.10226	0.8
257.08188	4.5
275.09183	3.7
307.08093	0.7
308.08972	4.3
351.07263	3.0
352.08115	2.6
357.38519	0.4
449.14554	12.4
449.27585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01396	0.9
60.99339	0.2
62.92344	0.1
63.02387	1.7
65.00314	9.6
67.01902	0.7
69.03467	0.2
71.01385	0.4
73.02929	0.2
82.40544	0.2
83.01373	5.5
85.02942	2.2
86.54809	0.2
87.00433	0.2
87.00836	1.3
93.03442	4.6
96.90659	0.2
107.01379	21.5
107.05030	0.2
108.02201	0.3
108.99335	0.3
109.02947	2.2
111.04517	0.9
124.07696	0.3
125.02428	4.0
127.03985	0.3
134.03775	1.4
134.04597	0.2
135.04504	82.9
136.01643	0.4
136.04828	0.8
137.02435	0.6
151.00356	100.0
152.00713	1.0
159.04463	0.3
161.02467	1.4
164.01134	1.0
165.01888	0.8
169.01450	1.3
172.05292	0.4
173.04536	2.1
174.03194	0.3
174.06799	0.2
175.00171	0.3
175.07640	0.2
177.01871	0.7
187.07622	2.5
191.05603	18.5
196.00140	0.2
201.01781	0.2
201.05649	0.2
215.07060	0.2
225.74025	0.2
227.03624	0.3
228.04182	0.2
240.84375	0.2
257.08185	2.2
269.04318	0.3
275.09354	0.4
285.03955	0.2
286.04712	0.3
287.05603	50.2
288.05905	0.9
297.09723	0.8
449.10602	19.0
451.24292	0.2
456.92407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.78473	0.2
63.02398	1.6
65.00315	8.7
65.91280	0.2
83.01369	5.6
92.10831	0.6
93.03444	0.5
107.01381	22.2
108.02157	0.6
109.02921	1.9
125.02407	4.1
134.03734	1.5
135.04504	84.3
136.01616	0.4
136.04793	0.4
151.00352	100.0
152.00784	0.3
161.02373	1.6
164.01147	1.0
165.01929	0.4
169.01430	0.9
177.01843	0.5
191.05603	1.7
196.00217	0.3
197.05878	0.3
204.44380	0.2
222.63011	0.2
254.56819	0.3
276.34576	0.3
287.05603	50.1
288.06055	0.3
297.09747	0.9
415.43866	0.3
449.10864	19.5
450.11221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
57.03461	0.9
57.08768	0.5
57.70251	0.5
59.01385	24.5
59.01670	1.1
60.01719	0.7
60.99305	0.7
61.98844	2.5
67.01907	3.7
69.03474	1.0
71.01379	7.6
73.02950	1.1
77.32558	0.7
85.02930	8.9
87.00854	6.4
89.02432	5.8
92.34576	0.5
93.03436	23.3
96.95998	4.0
99.00819	0.9
101.02425	4.4
109.02913	4.4
111.04527	3.5
113.02435	2.4
113.90263	0.5
119.03490	2.5
125.07746	0.5
127.04041	1.2
129.07027	0.7
133.02969	0.6
135.04504	2.2
137.02469	0.8
143.05013	1.0
157.06593	3.0
158.03676	2.2
159.04491	22.6
161.02484	0.9
165.01904	2.8
169.06622	1.1
171.08267	0.7
172.05318	2.4
173.04523	7.5
173.06071	8.0
174.06761	0.7
175.07576	5.4
177.02023	0.7
179.05641	0.6
181.06566	3.4
183.04457	5.0
185.02367	1.1
185.06073	1.3
187.07674	6.2
191.05602	78.5
192.06001	0.7
197.06091	4.8
199.03969	1.3
199.07658	4.0
200.04887	1.3
201.05571	20.1
201.07321	1.1
203.10823	0.6
208.49445	0.6
213.05591	5.9
213.09244	2.8
215.07158	2.4
224.04869	2.1
225.05554	17.7
227.03490	1.2
228.04254	1.0
230.53534	0.6
231.10258	1.3
240.04243	6.2
241.05031	21.3
242.05792	0.6
243.06580	79.3
257.08072	8.3
268.03690	2.5
269.04526	61.9
272.57736	0.7
275.09238	3.8
287.05582	100.0
288.05930	1.2
389.21844	6.6
449.09879	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	449.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91073	0.3
57.03455	1.6
59.01376	20.9
59.98127	0.4
60.99307	2.2
61.98837	0.7
65.84222	0.4
67.01888	9.7
69.03459	2.2
71.01368	7.4
72.99320	0.5
73.02943	0.9
81.03466	1.0
82.41145	0.4
83.05019	0.9
85.02940	16.7
87.00861	14.1
89.02446	2.0
92.10745	0.6
92.19097	0.4
93.03441	49.0
96.95988	3.1
99.00867	1.0
99.04483	0.6
101.02435	2.1
102.98643	0.4
109.02947	14.8
109.06590	0.6
111.04512	8.0
112.80007	0.4
113.02448	2.5
115.00346	3.2
121.02966	1.7
122.03706	0.4
127.03994	3.5
127.07664	0.8
129.01958	0.7
135.04515	3.4
137.02411	0.7
149.02470	0.5
149.04495	0.4
155.03487	2.1
159.04506	0.7
163.03935	1.4
171.03067	0.7
173.04547	12.5
175.04059	0.4
177.01906	1.0
184.73756	0.4
185.06140	0.9
187.04010	3.1
188.04823	2.9
191.05609	100.0
192.05891	0.9
202.06322	0.5
203.07248	0.7
213.05540	2.8
216.04204	4.4
231.06613	11.6
257.04538	1.6
275.05673	2.2
403.15378	0.5
403.48389	0.4
449.10904	57.7
450.11255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18763	0.3
59.01384	100.0
69.86524	0.3
71.01367	0.4
72.94398	0.3
78.95907	0.4
86.31929	0.3
89.17961	0.3
90.44640	0.3
91.04002	1.8
180.96306	0.3
191.05563	0.5
217.59525	0.3
234.65517	0.3
284.03381	1.2
285.03934	3.0
295.02353	0.7
313.23834	3.8
327.05093	0.4
447.08566	0.7
447.33221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01774	0.7
53.31460	0.9
58.36868	0.8
59.01375	100.0
61.98837	1.6
77.52090	1.0
78.95889	10.7
96.96972	1.6
102.14602	1.0
105.68429	0.9
116.33794	0.9
116.42642	0.9
116.49610	1.0
116.98305	0.8
133.02925	1.6
149.00076	3.8
151.00386	1.1
151.30612	0.9
152.99568	9.2
179.00987	1.0
191.05707	0.9
196.48633	0.9
284.03265	6.6
285.04028	13.6
295.02362	1.4
313.23831	1.6
406.59906	1.2
414.06464	1.0
436.97736	1.1
447.08603	5.7
447.14346	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22907	0.2
51.29214	0.2
59.01377	11.2
60.01708	1.3
61.01804	0.4
61.98824	100.0
71.01357	0.5
79.71729	0.2
87.00882	0.2
89.02412	0.5
96.96741	0.2
97.55237	0.2
101.02447	0.3
119.03515	0.2
125.02391	0.5
128.94278	0.2
139.77386	0.2
142.20538	0.2
153.09181	0.2
189.70705	0.2
191.05602	0.3
208.14067	0.2
388.19647	0.4
449.11017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81353	0.4
59.01377	2.3
61.98824	100.0
62.32243	0.4
62.43441	0.4
71.17573	0.5
77.92203	0.4
78.06104	0.4
78.95939	0.4
79.05956	0.4
87.32894	0.4
93.03446	0.7
120.44769	0.4
153.40269	0.5
188.64838	0.4
191.05553	2.1
285.03616	0.7
286.04282	1.0
291.10913	0.4
449.14731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18815	0.1
50.65097	0.1
52.00034	0.1
70.33091	0.1
70.80972	0.2
79.95734	1.4
81.12203	0.1
83.07526	0.1
84.64260	0.2
87.00855	0.2
92.10265	0.3
93.03436	0.7
94.98076	0.3
95.14207	0.2
96.95993	100.0
98.11691	0.2
105.03471	0.3
107.18047	0.2
133.02939	1.5
133.81567	0.2
135.04514	0.3
173.04442	0.2
177.01875	0.3
178.02560	0.2
191.05598	1.3
215.05646	0.2
278.62921	0.2
348.24857	0.2
351.07172	1.3
406.26932	0.2
450.15137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00627	0.3
54.19603	0.3
55.01877	1.5
57.03447	0.9
59.01377	100.0
71.00977	0.6
71.01370	17.1
73.02943	5.0
83.01369	2.5
85.02942	10.9
87.00869	1.4
87.13116	0.3
89.02430	3.8
89.63241	0.4
90.84316	0.4
93.03407	0.6
95.01350	0.8
96.96001	1.9
97.02972	0.4
99.00883	1.7
101.02428	10.2
111.49751	0.4
113.02443	6.5
119.03475	1.5
133.02969	0.5
143.03552	0.4
159.02934	1.9
161.03285	0.6
161.04539	13.8
179.05635	0.9
191.05615	8.7
205.05125	0.5
211.07715	0.5
225.14848	0.7
225.22673	0.4
230.11505	0.3
255.06554	0.5
285.03970	0.5
290.64725	0.4
293.21985	0.4
311.06519	0.4
323.44888	0.4
324.69067	0.4
327.05023	1.8
334.28702	0.4
337.36444	0.4
357.06143	0.6
387.20215	14.2
403.35818	0.4
414.12238	0.5
429.14697	0.4
447.22647	4.6
458.96988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2389
Annotation	Ugaferin
Peak:m/z	Relative Intensity
54.27216	1.5
58.46998	1.4
59.01375	6.0
61.98825	3.7
62.79452	1.7
70.88546	1.4
71.53978	1.8
74.48383	1.5
83.72169	1.4
112.12902	1.6
117.03445	20.5
119.05009	67.7
127.06144	1.6
132.58490	1.6
133.02974	6.8
145.02951	100.0
153.73662	1.7
161.02388	2.5
163.03998	36.5
173.53912	1.6
190.43637	2.0
221.19164	9.2
265.18054	3.1
283.19128	11.2
284.03183	3.8
285.04041	15.3
295.02515	2.3
301.20303	19.4
327.05176	2.5
447.09058	3.2
447.23886	51.5
447.30246	2.7
448.23160	2.1
451.75299	1.8
464.15265	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03450	0.2
59.01375	100.0
59.63915	0.2
60.01683	0.2
60.25572	0.2
61.98826	0.2
71.01373	5.1
72.83141	0.2
72.84441	0.2
73.02939	1.1
83.01363	0.8
85.02937	2.7
89.02440	2.4
92.57657	0.2
95.01370	0.3
96.95993	2.4
101.02431	3.8
113.02436	2.9
119.03476	1.2
123.08134	1.9
137.09711	0.4
159.03004	0.3
161.04568	3.8
163.11253	1.8
173.09671	0.3
179.05562	1.1
189.12848	3.9
191.05612	0.3
207.13904	4.1
225.14900	1.4
283.46304	0.2
387.20285	4.3
447.22125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81535	0.5
55.01882	0.6
56.30559	0.5
57.03463	1.3
58.00591	0.7
59.01374	100.0
60.17993	0.5
66.89120	0.5
68.10737	0.5
71.01366	21.7
72.99305	1.3
73.02953	3.2
74.33478	0.5
75.00914	0.7
75.82145	0.5
83.01408	2.7
85.02935	7.4
85.58894	0.5
87.00867	1.0
88.65234	0.5
89.02427	22.5
89.02969	1.0
92.10826	1.2
95.01379	1.0
99.00880	1.1
101.02415	15.4
101.03029	0.9
111.41977	0.5
113.02447	9.3
119.03475	8.2
120.76591	0.6
121.06566	1.3
125.02428	0.6
133.02927	2.9
137.09688	7.5
143.03471	1.3
153.09158	1.3
159.02982	0.5
161.04555	8.9
175.04024	1.1
179.05579	10.5
191.05640	2.6
195.15334	0.6
196.33467	0.7
197.85925	0.6
207.13834	0.8
207.28606	0.6
225.14879	5.2
284.03104	0.9
285.04001	9.3
299.05524	0.7
327.05139	3.3
357.05899	2.2
387.20239	26.2
388.20599	0.6
411.16675	1.2
447.09061	5.7
447.22614	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70457	0.3
58.00579	0.3
59.01375	100.0
61.98827	0.7
67.23975	0.4
71.01373	6.9
72.99296	0.4
74.47771	0.3
85.02949	2.8
89.02427	9.7
89.19029	0.3
92.10781	0.6
93.03452	0.4
101.02447	3.4
113.02431	3.1
119.03488	3.5
128.12430	0.4
143.03474	0.5
149.14194	0.3
161.04541	1.5
179.05563	5.0
191.05595	10.0
227.03461	5.1
227.07135	0.5
229.08502	0.5
230.03351	0.4
255.02983	4.9
255.06596	1.6
256.03473	0.4
284.03268	7.3
285.04004	6.6
387.20325	1.8
447.09152	6.3
447.22223	2.8
448.09860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24749	0.6
55.01868	5.4
57.03459	3.4
58.00620	0.8
59.01378	100.0
61.98817	0.7
65.88072	0.7
67.88007	0.7
69.03452	1.2
71.01376	46.2
72.99304	0.9
73.02941	19.5
75.00912	0.9
82.95399	0.8
83.01373	8.8
85.02950	27.7
87.00881	1.8
88.98817	2.9
89.02433	18.5
93.03445	1.5
95.01398	3.8
96.96003	10.1
97.02947	1.5
97.23677	0.7
99.00844	8.2
99.97784	0.8
101.02427	43.6
103.71584	0.7
109.02947	1.0
111.00916	0.8
113.02434	26.6
113.03187	1.3
119.03471	4.8
121.02951	5.9
125.02426	4.6
126.90434	0.8
129.02017	1.0
131.03470	0.9
135.04492	1.8
137.02425	0.8
143.03467	1.5
149.04620	0.9
159.02985	3.5
161.04536	24.2
161.05864	0.9
173.04590	1.3
179.05605	5.9
191.05600	17.1
255.02826	0.8
255.06502	1.7
269.10284	62.3
270.10919	0.8
320.20731	0.8
333.12341	1.1
387.20428	2.9
401.14490	58.9
421.90030	0.9
469.03748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89995	0.4
53.51175	0.4
55.01868	0.9
55.59694	0.4
57.03442	5.7
58.00578	0.6
59.01374	100.0
60.49635	0.4
66.38606	0.4
69.03442	0.8
71.01369	21.2
71.01749	0.9
72.99287	3.2
73.02934	16.8
73.03323	0.8
78.95898	2.7
79.95750	0.8
83.01374	3.8
83.05022	0.6
84.37119	0.5
85.02936	9.3
87.00864	1.0
88.98775	1.2
89.02428	12.2
93.03412	1.0
95.01341	0.8
96.95991	86.5
96.96866	3.6
98.95581	0.5
99.00862	0.8
101.02426	16.3
111.00844	0.6
111.04519	0.5
112.05305	0.8
113.02444	8.6
119.03461	4.1
131.03447	2.5
134.07356	2.4
135.08176	0.6
137.09676	1.1
139.07635	1.8
143.03447	1.1
149.04497	0.7
149.09700	17.7
153.09189	10.5
154.01479	0.5
159.28362	0.5
161.04498	2.7
167.10765	19.4
175.96259	0.5
179.05569	2.8
191.05630	6.3
207.13908	0.9
209.11911	0.8
225.14862	3.3
243.15932	2.3
269.10413	0.9
333.12073	0.5
387.20154	10.3
401.14487	9.0
405.21210	1.0
447.22275	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.4
64.53252	0.4
65.54436	0.4
71.01371	5.7
73.02934	1.0
79.61649	0.4
84.23312	0.4
85.02922	4.5
87.00852	0.9
89.02451	1.9
95.01402	0.5
97.02937	0.6
99.00900	0.8
101.02465	3.3
105.01920	2.9
108.02167	62.9
109.02946	17.7
113.02445	2.3
119.04973	0.5
131.03578	0.6
151.03973	0.6
152.01144	100.0
153.01895	3.5
161.04529	1.7
163.03984	2.8
179.03537	0.7
191.05615	0.8
215.65027	0.4
265.09296	2.1
447.11456	70.4
448.11896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21257	0.3
54.81676	0.3
59.01382	2.7
62.83291	0.3
64.33353	0.4
71.01378	4.6
73.02916	1.5
76.25572	0.4
85.02943	2.7
86.07520	0.5
89.02439	0.7
89.68183	0.4
96.96024	0.5
99.00861	0.7
101.02446	2.0
108.02164	55.9
109.01822	0.5
109.02946	13.6
113.02423	2.1
123.04543	0.5
133.02943	0.4
135.04482	0.7
137.46729	0.4
139.32727	0.4
151.04010	0.7
152.01138	100.0
153.01898	3.7
155.14880	0.4
161.04550	0.9
163.03993	3.3
177.01939	0.9
179.70796	0.5
207.02994	0.5
264.35669	0.4
315.07086	0.8
447.11453	66.7
448.11853	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	447.1295
Annotation	Belalloside B
Peak:m/z	Relative Intensity
59.01369	0.4
61.98814	1.2
65.03921	0.2
68.34686	0.2
73.17916	0.2
82.08737	0.2
85.51389	0.2
91.01882	1.1
93.03438	63.2
94.03772	0.2
108.02156	1.7
109.02980	0.7
111.73273	0.2
121.02967	0.2
123.00860	0.3
123.04489	0.7
135.00899	0.7
137.02428	100.0
138.02769	0.7
152.01155	1.1
156.51913	0.2
185.99480	0.2
191.05611	0.2
197.06000	0.2
243.06601	4.9
284.03104	0.2
285.04178	0.8
295.02615	0.3
306.22342	0.2
337.03537	0.3
387.11063	0.4
447.07596	0.8
447.13159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90680	0.8
52.91200	0.7
55.01879	4.5
57.03457	3.5
59.01373	100.0
69.03442	0.9
71.01369	52.8
72.68909	0.7
72.99298	1.4
73.02927	18.5
75.98763	0.7
78.95911	0.9
81.93758	0.8
82.95422	1.5
83.01369	11.1
85.02937	32.1
87.00860	2.0
88.98802	1.6
89.02421	16.8
93.03452	1.2
95.01386	4.7
96.95990	15.4
97.02966	1.0
97.47183	0.9
99.00878	7.2
101.02419	44.2
106.07711	0.8
113.02436	28.0
119.03494	4.7
120.18122	0.8
121.02924	5.5
125.02460	1.7
129.01944	1.3
131.03568	1.1
135.04523	1.5
143.03464	4.8
149.04520	1.1
159.02960	5.2
161.04526	24.8
161.74362	0.9
168.56357	0.8
179.05528	7.2
191.05588	16.7
255.02885	1.0
255.06567	3.0
269.10284	78.5
384.17584	0.8
387.20343	1.2
401.14511	76.2
402.15024	1.2
403.16043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01337	0.2
65.00323	0.9
79.37650	0.2
83.01397	0.3
84.05967	0.2
92.10130	0.3
107.01384	2.5
107.24773	0.2
113.62479	0.2
114.63033	0.2
133.02924	11.8
133.03915	0.4
149.02406	2.3
151.00362	7.8
171.04494	0.4
175.03979	3.5
185.05867	0.3
197.06126	0.5
198.03195	0.2
199.03929	2.7
201.01955	1.0
213.05559	0.9
215.03596	0.3
217.04942	1.7
223.03864	0.3
226.02695	0.2
241.04990	0.9
243.02927	0.5
256.03772	2.9
257.04410	0.8
267.03085	0.3
284.03226	4.2
285.04025	100.0
286.04407	2.0
383.85654	0.3
435.36084	0.2
447.09323	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33553	0.3
50.77046	0.3
59.01373	3.2
63.02404	2.2
65.00324	1.3
68.37378	0.4
83.01396	1.6
83.77316	0.3
89.55762	0.4
107.01385	4.2
109.02954	0.5
121.02969	0.6
133.02945	6.5
134.03725	1.8
148.01636	0.6
149.02461	0.9
151.00365	6.5
151.85773	0.3
168.78598	0.4
171.78429	0.4
175.04034	2.8
183.04561	0.6
199.03969	2.9
200.04910	0.6
201.01999	0.6
211.04039	1.8
212.04745	0.6
214.02904	0.4
217.05061	0.9
227.03511	2.4
229.44586	0.4
239.03488	0.6
255.02916	0.8
256.03732	5.1
257.04498	0.5
283.02353	0.9
284.03256	74.9
285.04034	100.0
286.04395	0.6
327.05173	0.6
447.09335	57.6
448.09619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48683	0.5
55.08577	0.4
55.54610	0.4
59.01377	9.8
65.00309	0.7
67.01891	0.4
71.01366	2.2
73.02933	1.2
77.27823	0.5
81.03421	0.5
81.86465	0.5
83.01339	0.8
84.43644	0.5
85.02935	16.2
87.00872	3.6
89.02454	0.7
92.61595	0.6
93.03437	7.7
99.00867	0.9
101.02422	0.7
107.01380	3.0
109.02946	0.9
111.04477	0.9
113.02436	3.0
119.05013	4.8
127.03981	3.3
151.00325	7.8
168.28877	0.6
169.01407	0.6
171.03018	0.7
173.04523	2.4
182.03648	0.6
183.04353	2.2
185.06038	4.4
187.04034	0.8
191.05597	100.0
192.05952	1.3
200.04674	0.7
209.06093	4.3
211.04045	3.0
211.07648	9.2
213.05664	0.8
227.03491	60.7
229.05011	3.1
229.08759	0.9
239.07153	0.6
240.04137	0.7
255.02963	74.3
255.06609	7.1
256.03720	5.4
257.04550	2.1
271.06021	5.8
273.07693	0.8
284.03238	51.4
285.04028	29.0
443.96115	0.6
447.09296	64.8
448.09531	1.2
465.53574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
60.33710	0.1
61.39186	0.1
63.02393	0.2
65.00307	1.1
75.42969	0.2
81.99606	0.1
83.01380	0.9
105.03436	0.2
107.01379	3.0
121.02924	0.2
124.26991	0.2
133.02934	12.8
149.02444	2.2
151.00360	7.3
172.86450	0.2
175.03967	3.9
185.06110	0.2
191.05574	0.8
195.04408	0.2
197.06061	0.4
198.03252	0.6
199.04008	3.1
201.01955	1.4
213.05682	0.7
214.02718	0.2
215.03506	0.7
217.05063	2.1
223.03957	0.3
229.05063	0.2
241.04974	1.2
243.02965	1.0
256.03812	0.3
257.04471	0.4
267.02863	0.3
271.02484	0.3
284.03336	0.3
285.04031	100.0
286.04431	1.5
300.02835	0.3
447.09509	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	13.3
59.50085	0.7
60.72034	1.0
65.00332	1.0
71.01385	1.9
71.73981	0.7
79.01908	1.7
83.01368	1.0
96.95918	0.9
97.02928	1.3
101.02435	1.1
109.02946	4.0
120.01449	1.1
121.02926	3.9
125.02455	1.1
133.02922	32.2
134.03734	1.7
135.04521	1.4
147.04533	0.9
149.02446	1.4
151.00401	1.9
157.17262	0.9
161.02415	5.6
161.04488	1.2
163.00378	8.1
163.03987	4.4
165.01874	4.2
175.04001	9.0
177.01912	1.6
185.02249	1.0
189.05428	0.9
193.01332	1.8
193.78839	0.8
198.03253	1.1
199.04027	4.3
201.01888	3.4
203.03386	0.9
211.03903	1.3
213.05411	1.3
217.05099	0.9
218.21707	0.9
225.05569	3.5
225.14966	1.8
227.03433	1.2
240.04210	1.0
241.04984	1.9
243.03069	1.0
247.34329	1.0
251.03244	1.1
253.04970	2.0
255.03036	1.6
269.04535	5.3
284.03201	15.1
285.04062	28.0
297.04031	45.6
298.04791	37.7
299.05591	31.9
309.04074	1.2
311.05667	11.5
325.03555	1.1
327.05087	100.0
328.05563	1.8
330.03647	1.3
339.05087	15.6
341.06754	1.6
357.06152	72.4
369.05914	3.7
387.07205	1.3
387.20325	1.7
405.75778	1.0
429.08447	10.1
447.09317	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12638	0.2
59.01377	5.1
65.00335	0.5
65.28896	0.3
67.01883	0.3
70.19166	0.2
71.01365	0.7
73.02929	0.3
77.03962	1.2
79.01902	0.7
81.03464	0.3
84.88146	0.3
85.02942	0.4
89.02444	0.6
92.10829	0.3
97.02946	0.5
101.02433	0.3
105.03454	1.1
107.01394	0.6
109.02927	3.3
112.84093	0.3
113.02473	0.4
119.05016	1.3
121.02953	2.8
123.00825	0.3
123.04523	0.4
125.02445	1.8
133.02922	21.3
134.03729	0.4
135.00841	0.4
135.04478	2.5
137.02428	1.5
144.05478	0.3
145.02986	0.6
147.04504	1.7
149.02487	2.2
151.00409	0.6
151.03934	0.5
161.02420	2.8
163.00354	3.5
163.04001	4.6
165.01917	2.4
170.26721	0.3
171.04556	0.4
173.02422	0.3
175.00282	0.3
175.03979	5.2
177.01894	1.4
179.03430	0.4
185.06026	0.3
187.03934	0.4
190.02409	0.3
191.03493	2.7
191.05583	3.6
193.01465	1.9
196.05373	0.4
199.03970	1.9
201.01973	2.4
203.03528	0.4
209.06067	0.4
209.79422	0.3
211.04065	0.6
211.07628	0.4
212.04851	0.4
213.05537	1.6
215.03459	0.6
217.04913	0.4
225.05588	1.8
226.02638	0.3
226.81432	0.3
227.03477	2.1
227.07114	0.4
229.05072	0.4
239.03462	0.5
240.04274	0.7
241.04991	1.2
242.02249	0.3
243.02937	0.6
251.03653	0.3
253.05017	1.7
255.02963	1.3
255.06601	1.1
256.03702	0.5
257.04501	0.5
269.04526	1.2
271.06177	0.6
281.04681	0.3
284.03232	11.9
285.03992	9.4
297.04031	22.2
298.04803	14.6
299.05591	20.7
309.04199	1.0
311.05743	4.2
324.02618	0.5
325.03503	0.3
327.05084	100.0
328.05392	1.6
339.05093	5.3
341.06683	1.4
357.06171	28.6
369.06171	3.6
387.20364	0.5
393.06311	1.3
422.70987	0.4
447.09326	17.7
448.09940	0.4
449.69250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49207	0.6
59.20782	0.6
73.36645	0.7
119.50329	0.7
135.08116	5.5
162.06837	12.7
163.07639	100.0
168.99980	0.7
169.05565	0.7
176.08345	1.2
177.09207	5.7
178.09537	3.7
264.64264	0.8
360.09393	0.8
386.90366	0.9
428.36938	1.0
446.37677	99.8
447.37872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0718
Annotation	XL147
Peak:m/z	Relative Intensity
52.27195	0.3
59.01380	3.5
65.97460	0.3
69.35502	0.3
78.70216	0.3
93.03477	0.6
108.02155	0.4
109.02937	14.9
115.01874	0.8
121.02953	0.7
132.02200	0.8
133.02933	32.6
135.00883	0.8
135.04553	0.8
137.02477	1.8
147.20627	0.3
155.05112	0.4
159.00833	3.6
159.04546	0.5
161.02431	4.6
173.02385	0.7
175.00478	0.6
175.03946	2.8
177.01958	3.0
183.04512	2.1
191.05664	0.7
199.04031	3.1
201.01923	10.1
202.99860	32.1
207.04436	0.7
209.06151	0.6
211.04150	0.5
213.44318	0.4
223.03865	0.5
225.05682	1.3
227.03474	12.2
237.05595	0.6
239.03471	0.5
241.05096	1.5
243.02946	0.6
243.06540	0.6
249.05630	0.4
251.03487	4.3
264.04251	0.6
265.05057	2.3
267.02887	0.8
269.04581	3.8
271.02451	0.5
281.04666	0.8
284.03217	1.4
285.03986	6.8
291.06689	0.4
292.03903	0.5
293.04568	3.2
295.02567	4.7
296.02960	0.4
297.03903	0.4
309.04077	8.3
310.04865	3.3
311.02029	0.8
311.05603	16.3
312.05762	0.4
327.04764	0.4
337.03549	100.0
338.04086	3.3
370.03308	0.6
377.06662	0.8
387.05386	1.2
405.06134	12.9
429.05774	0.4
447.07196	97.2
448.07822	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	447.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
71.01380	0.5
85.02965	0.6
92.10830	0.9
109.02951	0.8
110.99075	0.4
113.02412	0.9
123.04498	5.7
135.04546	1.0
151.01299	0.5
156.17827	0.5
167.04967	0.6
183.04459	1.9
192.43700	0.4
195.04469	2.6
211.02190	0.6
211.03955	4.2
223.03958	5.2
223.96188	0.5
227.03458	0.7
230.72910	0.5
237.02003	0.6
239.03458	9.3
240.04205	2.3
250.02574	0.7
251.03508	3.5
252.00504	0.8
254.02341	0.5
257.31876	0.6
265.01422	0.9
266.02203	0.8
267.02957	23.7
268.03748	6.2
282.01569	4.8
283.02444	2.8
285.03958	0.9
293.00949	3.4
294.05121	0.4
295.02454	100.0
296.03217	19.8
297.03812	3.3
309.03900	1.8
323.01953	6.8
325.03485	2.2
328.02295	2.7
333.19156	0.7
337.03708	0.7
338.04227	0.8
346.05099	0.5
355.89725	0.5
447.07211	98.4
448.07590	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
59.01378	19.2
63.02409	0.8
65.00336	2.1
71.01360	3.6
73.02937	0.5
83.01394	1.4
85.02961	1.5
87.00867	0.5
89.02451	2.7
101.02436	2.8
107.01369	4.5
109.02954	1.4
110.93503	0.3
113.02465	2.1
119.03469	0.8
121.02934	1.7
132.02188	0.5
133.02933	16.4
149.02444	5.1
151.00359	10.1
161.04552	1.6
171.04425	0.4
175.03979	5.0
176.48410	0.4
180.25815	0.3
185.06108	0.8
189.05644	0.4
191.05650	0.5
197.06071	0.5
198.03255	0.5
199.04019	5.3
201.02008	0.8
211.04050	0.5
212.04820	0.6
213.05661	0.7
215.03441	0.6
217.05051	3.4
225.14911	0.8
229.04985	0.4
241.05103	2.3
243.02878	0.7
255.03091	0.4
256.03598	1.1
257.04593	0.5
267.03015	0.6
283.02539	0.6
284.03271	4.8
285.04047	100.0
286.04385	1.6
297.04056	0.5
299.05444	0.4
327.05121	2.7
327.73755	0.4
341.45801	0.4
357.06195	0.6
387.20248	10.4
445.90070	0.4
447.09344	48.5
448.09903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98824	20.6
71.01365	19.9
116.31316	18.8
116.85396	21.6
129.67136	21.2
149.57465	18.1
157.40082	19.6
159.03191	18.3
172.64491	19.6
175.34224	18.1
185.43719	21.2
269.12979	24.3
312.73837	20.2
360.55847	23.5
390.15640	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	445.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97305	0.5
59.01384	100.0
61.98851	1.0
67.28133	0.5
71.01378	1.5
73.02921	0.5
74.11233	0.5
75.74919	0.5
86.76370	0.5
89.02446	1.2
91.03991	1.0
113.02464	0.7
136.08440	0.8
141.00006	0.6
161.04521	1.0
167.08032	0.6
183.81732	0.6
218.48956	0.7
270.06851	0.7
288.04337	0.6
311.22394	4.9
399.23743	4.2
445.25247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82151	0.5
58.28242	0.5
59.01374	100.0
61.77266	0.5
61.98822	1.2
64.33868	0.6
71.01384	1.1
84.88446	0.6
86.33385	0.5
89.02483	0.6
91.03996	0.9
93.03455	0.7
98.57402	0.6
99.00851	0.6
100.83731	0.5
101.02402	0.9
105.88848	0.6
112.54485	0.6
150.69519	0.6
242.16925	0.7
263.30847	0.7
297.06805	0.6
311.22165	4.0
399.23807	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	445.2954
Annotation	23-hydroxy-24-oxocalcitriol
Peak:m/z	Relative Intensity
60.59870	3.3
61.50571	3.4
61.98807	5.0
62.27814	3.1
63.99105	3.4
67.52847	4.0
71.05018	4.2
150.72690	4.0
339.23422	9.1
357.24371	36.5
367.22589	19.9
385.23413	36.3
385.28049	7.8
445.29526	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	445.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72021	0.9
59.01380	2.4
60.76488	0.8
61.98841	1.0
92.50601	1.0
98.53456	0.9
135.46164	1.0
149.95538	0.9
152.11020	1.0
185.22672	1.1
190.38245	0.9
292.24728	1.0
299.29492	1.1
383.29404	6.6
389.45181	1.2
401.25040	1.5
401.30521	58.1
445.29529	100.0
446.29562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2958
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
50.18855	0.3
52.29477	0.4
52.63987	0.4
54.30133	0.4
54.45726	0.5
56.18077	0.4
59.01391	1.1
62.44018	0.5
71.01408	0.4
80.84014	0.4
87.30897	0.4
104.66167	0.5
104.67703	0.5
111.37711	0.5
161.50977	0.6
202.62878	0.5
206.13742	0.5
364.22504	0.6
381.28204	1.0
383.29587	7.0
399.29236	1.8
401.30609	99.7
402.31012	2.1
445.29599	100.0
446.30048	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Dendromoniliside D
Peak:m/z	Relative Intensity
55.01877	2.7
56.66751	1.0
57.03444	2.1
59.01372	33.0
61.71290	1.1
61.98836	2.2
71.01364	15.4
73.02526	3.2
73.02929	86.4
73.04267	1.6
75.00864	8.5
83.01392	1.9
85.02945	7.1
89.02422	14.1
93.03470	1.8
97.06570	1.8
99.04473	3.0
101.02422	9.1
106.60950	1.2
109.06593	1.9
113.02437	13.5
115.39920	1.3
119.03478	2.1
121.02972	1.7
135.04535	1.8
137.02422	7.7
151.00352	2.5
151.07547	2.3
152.00861	1.5
161.04514	2.2
165.12814	11.9
178.99780	2.1
191.05608	7.4
209.11801	28.6
221.15437	13.5
223.13298	2.4
237.06038	5.9
239.16469	9.3
245.09959	2.2
265.14407	6.5
271.02518	2.1
283.15469	100.0
295.02780	1.6
300.02774	2.3
301.03607	18.7
379.43286	1.8
409.20886	2.5
445.21484	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73948	0.3
59.01377	100.0
62.99197	0.4
66.39177	0.4
71.01369	8.4
73.02939	1.0
75.28156	0.4
78.45001	0.4
84.61568	0.4
85.02938	3.1
87.00857	2.3
87.61532	0.4
87.81062	0.4
89.02437	9.3
93.03417	0.5
95.01390	0.7
101.02428	5.4
113.02440	4.0
119.03476	5.1
139.42671	0.5
143.03490	0.6
149.04538	0.5
161.04546	2.5
179.05556	2.4
187.11259	2.8
191.05557	2.4
204.11478	0.7
205.12337	3.9
227.21475	0.4
233.11913	1.0
235.47705	0.5
259.13306	0.7
277.14444	1.9
296.38754	0.5
385.18652	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97305	0.3
54.81791	0.4
55.01870	0.9
57.03436	0.9
59.01374	100.0
63.55585	0.4
67.87430	0.4
71.01370	21.3
72.99285	0.5
73.02921	3.2
75.00902	0.5
83.01369	0.9
85.02942	7.6
89.02428	15.4
95.01371	1.7
97.02925	2.0
99.00878	1.1
101.02420	11.5
108.05817	0.8
113.02435	9.7
113.06094	0.6
119.03488	5.3
123.00872	0.6
123.08119	1.0
124.01630	1.7
125.02419	7.1
125.06052	1.7
131.03455	0.6
136.05275	0.7
137.06065	0.6
138.06851	9.1
139.07622	3.7
143.03479	0.7
149.99542	3.0
151.07639	9.4
152.04727	0.6
152.08411	13.1
153.09196	40.2
159.02997	0.7
161.04543	10.3
163.11206	1.0
165.09200	0.7
168.00641	6.6
169.01286	0.5
179.05606	2.3
187.11304	0.5
190.09990	0.7
205.12311	14.8
223.13391	13.5
233.46498	0.4
236.90587	0.5
331.06622	2.9
381.26306	0.5
385.18683	29.4
445.09976	4.1
458.74319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99376	0.8
57.83873	0.7
58.73930	0.8
59.01369	9.0
60.12723	0.7
63.47559	0.9
71.01371	3.8
74.71930	0.8
76.60437	0.8
76.92567	0.9
78.95855	0.9
85.02939	2.2
88.98809	3.8
89.02432	2.1
93.03426	4.4
96.95991	31.2
101.02407	1.1
108.02190	1.2
109.02924	4.1
117.45119	0.9
121.02907	7.8
123.04504	1.9
125.02482	1.2
133.02905	4.4
134.03767	1.5
135.04500	33.6
137.02380	1.1
139.04008	1.9
149.02423	87.4
151.03967	6.2
152.01094	2.2
153.01903	5.7
153.05534	1.0
161.02428	12.3
163.03989	6.0
164.04778	95.4
165.05182	1.1
169.05110	1.2
173.04526	1.4
179.03412	1.2
179.07108	24.0
191.05589	15.1
192.05922	1.5
193.01363	10.0
208.03754	33.4
223.06107	100.0
278.21854	1.1
315.07266	2.0
383.13638	1.5
385.11316	3.4
445.13861	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	445.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.8
60.99303	19.1
66.36214	0.5
67.40984	0.4
71.01369	0.9
71.11414	0.4
71.37012	0.4
71.58226	0.4
85.02944	2.3
87.00838	0.7
88.98790	100.0
89.02453	0.9
90.60033	0.5
92.10794	0.5
93.03426	2.3
96.95992	5.7
105.21803	0.4
125.02387	0.7
129.18466	0.5
135.04489	0.8
149.23390	0.6
150.06819	2.9
151.07603	2.3
162.06844	4.0
163.07616	1.0
165.29874	0.5
168.00661	0.6
173.04544	0.8
175.04077	0.6
176.19711	0.5
180.07889	7.0
181.08653	6.7
191.04047	0.6
191.05605	9.0
192.05948	1.2
212.04845	0.7
222.96436	0.5
271.06091	0.7
445.10593	0.6
445.17252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09438	70.6
63.39747	75.4
89.59415	96.8
118.88979	94.5
186.14227	100.0
373.17200	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3166
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
54.80935	1.6
59.01389	2.8
61.98830	7.6
88.02048	1.6
93.03456	1.8
128.65698	1.6
135.04526	3.5
191.05649	9.7
355.26672	2.2
379.30270	5.9
381.31326	1.6
399.32593	14.4
436.25647	1.5
443.31738	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	443.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54258	0.7
58.98108	0.7
59.01376	3.1
60.99292	6.4
65.17760	0.8
71.23591	0.8
72.99297	1.0
80.02668	1.2
84.95187	0.9
85.59169	0.8
93.03440	1.3
135.04486	4.1
137.09721	1.8
147.32001	0.9
149.09766	1.1
160.28360	0.9
191.05568	8.9
351.22592	0.9
377.28302	3.3
391.30133	4.4
399.32602	4.6
405.31668	1.8
407.33173	100.0
408.33475	1.8
409.34903	10.9
423.33087	1.0
427.35727	16.1
443.29047	1.1
443.35294	5.5
453.33850	15.4
454.34372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	1.2
59.01373	25.3
59.99964	0.5
61.32727	0.7
61.98817	1.1
62.66009	0.6
63.02392	1.5
65.00333	1.4
66.49400	0.7
67.26112	0.7
71.01376	3.0
72.56444	0.6
77.08797	0.6
80.56491	0.7
83.01379	1.6
85.02941	1.6
85.24731	0.6
88.38295	0.8
89.02427	4.1
93.03454	1.2
101.02476	0.9
107.01368	7.8
108.02186	3.2
109.02902	6.2
113.02482	1.4
121.02920	5.2
133.06439	0.7
135.00896	1.5
135.04518	0.6
137.02448	5.6
145.02968	2.8
148.01662	4.4
149.02458	1.1
151.00345	25.2
161.02386	0.9
163.00372	7.6
164.01134	1.4
168.84331	0.8
169.01395	1.3
173.04579	0.7
178.99854	10.2
183.04509	1.4
190.52020	0.7
191.05566	6.4
192.00627	1.3
199.03894	1.3
203.03534	1.0
203.10811	1.0
211.03992	3.1
215.11682	0.7
225.20790	0.8
226.02704	1.7
227.03563	5.6
232.14514	0.7
239.03551	0.8
243.00493	0.7
243.02985	19.6
245.04535	4.4
254.02141	3.0
255.02975	40.8
256.03470	0.9
266.02206	0.8
271.02469	87.8
272.03015	3.2
273.04010	2.9
283.02612	3.5
299.01996	1.6
300.02762	99.7
301.03537	100.0
302.03888	1.1
407.13715	0.9
431.08673	0.9
445.07758	50.6
454.38882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73581	0.1
56.40877	0.1
57.03424	0.2
59.01368	1.5
63.05676	0.1
67.01898	0.2
71.01356	0.6
73.02914	0.1
78.95889	4.3
79.95724	1.7
85.02927	0.7
87.00851	0.3
88.98769	0.2
89.02445	0.2
92.10770	0.3
93.03442	1.4
94.03767	0.2
96.95991	100.0
96.96877	6.2
101.02434	0.1
105.03448	0.2
109.02990	1.1
113.02432	0.4
123.04485	1.8
132.02179	0.2
133.02907	0.2
134.03677	0.3
135.04510	0.9
138.12811	0.1
149.02379	1.1
160.01607	1.7
161.02423	0.3
167.03415	0.4
173.04521	0.3
175.03970	1.6
179.03433	0.2
191.05600	3.9
192.05923	0.6
193.04976	0.3
285.11447	0.2
301.21994	0.1
329.08713	0.9
353.08847	0.2
442.61636	0.3
443.15857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01374	100.0
61.98835	0.8
65.24488	0.5
71.01374	6.4
73.02938	1.6
83.01383	1.1
85.02943	3.6
87.00842	1.1
89.02411	0.9
93.03467	1.3
101.02430	3.7
110.44294	0.7
113.02435	2.5
122.44492	0.7
131.95595	0.8
135.04514	5.6
138.93234	0.6
139.89069	0.7
161.02423	0.9
169.23305	0.6
179.03377	1.0
191.05556	9.0
198.37056	0.7
247.13339	0.8
401.25397	3.9
443.35406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.7
60.99312	0.6
65.39561	0.2
67.01887	0.5
69.03442	0.2
71.01367	1.0
73.02932	0.3
81.03427	0.3
85.02934	8.8
87.00858	1.8
87.42184	0.2
88.98788	2.8
92.10804	0.3
93.03443	4.2
96.95992	0.3
99.04485	0.2
108.02144	0.4
109.02937	1.4
111.04507	1.2
113.07082	0.3
114.59792	0.2
116.92822	0.3
127.03133	0.3
127.03993	2.6
133.02942	1.1
134.99490	0.2
135.04494	4.9
136.04868	0.3
137.02406	0.3
138.59296	0.2
155.52730	0.2
161.02419	3.9
171.03029	0.8
173.04576	2.0
179.03500	1.3
180.34998	0.2
191.05606	100.0
192.05974	1.7
197.88899	0.2
234.33038	0.2
243.06609	0.4
353.08771	10.6
353.13098	0.5
434.10638	0.3
434.60599	0.3
443.10739	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88507	0.4
52.76464	0.4
57.32942	0.5
59.01382	0.5
60.99302	16.6
71.01363	0.5
74.27164	0.6
75.20736	0.6
80.76491	0.6
85.02930	4.9
87.00838	1.1
88.98786	100.0
92.18876	0.5
93.03458	3.6
109.02956	0.8
111.04437	0.8
123.04538	0.6
127.03953	1.1
135.04500	1.3
135.14351	0.6
142.57478	0.6
173.04613	0.6
179.03516	1.0
191.05594	86.6
252.76913	0.6
344.07172	0.6
350.03088	0.6
353.08826	9.2
416.92737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3372
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
54.36890	1.3
54.81496	1.3
59.01388	1.3
61.31410	1.2
71.05030	7.7
76.00267	1.4
107.29034	1.8
116.92855	2.0
127.07301	1.9
134.89468	5.6
339.26831	2.9
346.22659	1.8
381.28088	2.4
412.26404	1.7
423.32657	33.0
441.33762	100.0
441.39883	3.6
442.34085	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	441.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03342	3.5
55.10455	3.9
59.01375	100.0
63.02208	4.0
77.17480	4.1
90.26275	4.3
103.84317	5.1
104.86842	5.4
133.46780	4.7
186.99533	5.0
215.16457	24.5
243.19632	70.5
360.84515	4.1
377.98956	4.1
387.75082	4.5
399.69580	4.7
408.56345	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	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.49620	0.4
55.01875	2.1
57.03448	0.6
59.01374	100.0
71.01366	13.1
72.99323	0.5
73.02592	0.6
73.02929	5.3
76.66619	0.4
80.19976	0.5
83.01373	1.1
85.02930	7.5
85.03363	0.6
85.73620	0.5
89.02415	3.7
92.10114	0.9
95.01363	1.8
99.00858	2.2
101.02425	8.2
105.07010	0.4
111.16351	0.5
113.02435	5.0
119.03507	1.0
125.02434	0.6
161.04524	3.2
174.53593	0.5
209.06410	0.4
247.15863	0.5
357.44531	0.5
399.23801	4.4
403.40021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3376
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
58.00617	2.4
59.01385	7.6
61.87402	1.4
61.98854	1.6
62.57468	1.6
67.38839	1.8
71.01361	1.9
71.05026	24.6
73.98423	1.8
85.06578	2.0
98.42375	2.1
104.73068	1.8
131.96507	1.8
135.58096	1.6
168.02870	1.6
191.05650	7.8
205.15988	15.4
217.00209	2.1
217.93544	1.8
321.22336	5.3
337.25430	2.7
339.26959	3.9
341.24814	3.4
351.26761	2.3
355.26492	2.3
379.30038	2.1
407.29459	6.8
409.31250	2.1
423.32755	34.9
425.30850	2.3
437.30487	2.4
439.32306	13.6
441.33749	100.0
442.34039	2.5
455.31564	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76423	0.5
55.01903	1.1
59.01383	100.0
62.77069	0.6
64.74512	0.5
65.56715	0.7
69.03466	0.9
71.01379	26.6
73.02939	44.3
83.01381	10.8
85.02938	5.2
89.02433	8.0
89.67377	0.6
95.01402	1.4
99.00883	0.7
101.02429	27.5
113.02445	10.4
113.75224	0.6
119.03509	2.5
119.92339	0.8
125.02473	0.9
131.03490	4.1
138.87639	0.6
155.03375	0.8
161.04559	4.8
213.07991	0.7
242.42993	0.6
294.56302	0.6
399.23749	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	441.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43148	3.9
53.72052	3.5
56.60119	3.8
59.01391	24.2
71.01376	10.7
73.02930	5.9
80.50545	4.4
85.02950	10.1
89.02440	10.6
92.10416	5.2
93.03449	6.1
96.95984	100.0
98.95567	46.0
101.02446	11.3
116.92841	18.4
128.90144	7.2
131.53873	5.3
144.62573	5.0
173.56599	5.4
179.22784	4.4
189.05536	6.2
191.05583	52.9
203.49319	5.2
208.78946	4.5
243.70262	4.8
381.17825	7.8
441.19064	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12860	0.9
50.45664	0.8
55.01878	6.3
57.03446	4.3
57.48530	0.9
59.01372	49.7
59.01667	1.7
61.70650	0.9
65.88317	0.9
71.01370	47.9
73.02937	20.2
83.01373	11.6
84.88963	0.9
85.02941	27.5
85.03416	1.4
87.00846	2.0
89.02431	7.8
93.03440	4.8
95.01369	2.1
97.02924	1.7
99.00847	8.7
101.02425	56.0
108.02148	1.3
109.02956	1.9
111.04528	1.2
113.02430	26.1
115.00356	1.4
121.02983	1.5
125.02424	1.6
131.03357	1.3
135.04504	4.8
143.03487	1.3
158.27719	1.2
159.02946	6.6
161.04526	19.1
169.30939	1.5
173.04416	1.2
179.03542	2.7
191.05544	10.9
212.40279	1.2
249.13414	82.7
381.17667	100.0
441.10449	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	441.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.7
57.03446	3.5
58.00592	0.9
59.01375	40.1
59.50576	0.7
61.98819	1.0
69.03451	0.7
71.01372	40.5
72.99305	1.2
73.02939	24.3
73.03328	1.4
75.00889	1.1
83.01375	10.5
85.02943	30.9
86.00098	1.0
87.00864	4.6
89.02437	9.4
93.03448	8.7
95.01369	1.8
96.95985	0.8
97.02917	1.2
98.32282	0.8
99.00857	9.8
101.02428	56.3
108.02175	0.9
109.02937	8.5
111.00866	0.9
111.04495	0.7
112.48627	0.8
113.02431	21.5
115.03967	0.9
121.02928	1.3
125.02390	1.4
131.03485	1.1
135.04500	4.3
141.03456	8.9
143.03500	1.5
146.03731	1.1
159.02979	3.3
161.04536	15.1
173.04518	1.8
179.03401	0.9
179.07103	3.0
191.05586	19.3
193.62198	0.8
217.04915	1.8
235.25206	0.8
249.13411	55.8
308.18314	0.8
381.17667	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	441.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19749	0.2
54.29461	0.2
55.80217	0.2
59.01367	0.3
59.76733	0.2
64.32571	0.2
71.01350	0.3
75.37254	0.3
78.95889	51.7
80.96318	1.1
82.06332	0.2
89.02415	0.2
96.96942	100.0
98.97384	2.9
113.02523	0.2
138.98036	0.5
259.02213	3.6
269.75391	0.2
295.52609	0.3
333.43011	0.3
343.12521	1.0
374.26831	0.2
441.10031	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37080	2.3
51.30815	1.7
57.03447	2.8
59.01373	58.1
63.82952	2.0
69.28975	2.2
71.01372	22.3
73.02920	2.4
77.53207	2.2
80.34746	1.9
80.71246	2.8
85.02954	12.6
87.00861	2.5
89.02442	20.1
92.10220	6.8
93.03443	3.7
94.19627	2.6
101.02425	19.5
109.02940	5.3
113.02435	13.6
113.85029	2.2
119.03475	9.4
119.05020	4.6
135.04523	5.1
147.04500	100.0
147.05658	3.5
152.85056	2.6
161.77623	2.7
165.05556	14.9
178.80109	2.3
191.05600	30.5
217.12317	3.0
227.07088	2.7
229.52405	2.4
256.91602	2.5
263.15125	3.0
287.73749	2.8
297.59149	2.5
327.10867	100.0
395.19141	12.3
404.28574	2.4
441.17551	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	439.3214
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
50.60483	4.6
53.08477	5.1
56.44212	5.1
56.67766	4.6
69.95923	5.4
85.02917	8.8
88.57199	6.3
97.06588	14.6
152.94096	6.9
165.42157	9.2
273.18643	15.2
289.21692	25.4
348.29803	6.6
353.28558	8.9
355.26517	10.4
421.71747	6.6
437.29764	6.8
439.32059	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	441.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73037	0.2
58.26606	0.2
59.01372	1.9
61.98832	0.2
71.01372	1.3
78.95883	3.4
79.95731	1.4
82.49195	0.2
83.67327	0.3
84.95097	1.0
85.02930	1.5
87.00861	0.6
87.04509	1.6
88.48806	0.2
88.98796	0.4
89.02425	0.5
93.03438	1.2
96.95988	100.0
96.96877	6.7
101.02402	0.3
109.02972	0.4
115.00359	0.3
116.92801	0.5
119.04991	1.6
131.03473	3.1
133.02946	0.3
163.04034	1.2
173.04453	0.4
173.05919	0.3
178.84554	0.2
179.03474	0.3
191.05589	5.5
214.62431	0.3
235.06094	1.0
343.10532	0.5
381.17828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86251	0.1
59.01373	0.9
60.99306	0.3
69.23366	0.1
71.01376	0.3
78.95895	1.9
79.95722	1.4
80.00803	0.1
83.45342	0.1
85.02925	0.8
87.00873	0.6
88.98784	1.2
93.03432	0.8
96.95988	100.0
96.96976	3.7
100.06855	0.2
133.02901	1.0
135.04491	0.2
137.06046	0.4
157.08672	0.9
173.04474	0.2
177.16550	0.1
181.05034	2.2
191.05605	3.6
191.07266	0.4
191.08931	0.2
192.49028	0.2
195.06648	0.3
196.06909	0.2
304.10388	0.2
343.10309	1.0
351.07281	0.2
441.14349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81298	0.6
55.01887	1.3
55.30003	0.7
57.03447	1.6
58.00594	0.8
59.01379	100.0
59.94635	0.6
71.01376	60.9
72.97520	1.6
72.99298	1.3
73.02933	8.5
82.95412	10.5
83.01395	4.6
84.95116	1.0
85.02942	15.7
87.00873	2.7
88.98811	1.1
89.02435	72.2
92.10907	1.5
93.03450	1.2
95.01353	1.8
96.96020	5.5
99.00863	3.7
101.02427	31.0
101.33948	0.7
113.02438	21.2
119.03474	20.5
125.02415	1.3
131.03491	8.5
139.92245	0.7
143.03490	3.9
149.04533	15.7
150.03220	5.5
161.04495	6.1
165.01917	3.2
165.05548	4.0
173.04492	3.3
179.05611	14.6
180.04240	3.4
181.41785	0.9
191.05582	15.0
195.06572	3.6
233.06604	0.9
247.11844	19.2
262.61667	0.8
336.39520	0.9
379.16034	51.6
404.52438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
71.01372	61.0
72.99291	2.4
73.02941	13.9
85.02940	13.6
87.00881	1.7
89.02427	92.3
99.00858	15.5
101.02422	36.2
113.02451	20.5
119.03482	17.5
120.99639	14.4
125.02433	2.3
131.03485	15.4
135.04453	2.4
136.07655	2.5
143.03490	3.1
149.04535	36.3
161.04533	2.1
179.05597	13.9
191.05624	18.1
230.11928	2.4
251.07822	1.9
255.11232	1.9
261.13382	9.9
317.11368	8.7
341.97983	2.2
393.17676	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
59.01374	100.0
61.98818	1.5
71.01369	24.3
73.02931	8.2
76.55863	1.3
83.01374	6.2
85.02933	12.0
87.00862	1.5
89.02425	9.5
92.10852	2.4
101.02431	13.9
111.72368	1.1
113.02412	8.2
119.03435	5.0
130.91876	1.2
161.04541	7.2
191.05627	1.4
397.22180	16.6
460.79642	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	439.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28762	0.1
54.82927	0.1
59.01390	0.2
64.95587	0.1
69.03451	0.8
71.01382	0.2
77.06034	0.1
77.92647	0.1
85.02943	0.2
88.28733	0.1
92.10114	0.4
93.03443	0.2
93.70264	0.1
96.00398	0.1
101.76440	0.2
108.50944	0.1
113.02456	2.3
117.03470	0.1
119.05009	100.0
120.05342	1.2
145.01686	0.1
147.04515	0.2
163.03999	70.0
164.04349	0.4
191.05530	0.2
209.63028	0.1
214.15410	0.2
221.50055	0.1
325.09277	4.3
373.42944	0.2
426.47964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16179	0.8
52.77936	0.9
59.01375	18.3
60.95458	0.9
65.14796	0.9
67.01905	1.0
68.38976	0.9
71.01382	5.8
73.02947	1.4
74.08207	0.9
82.92979	0.9
89.02407	2.4
92.07568	0.9
93.03458	4.8
95.01446	0.9
96.95998	2.6
101.02441	2.6
105.01511	1.0
119.03510	1.0
121.02972	4.3
122.03725	11.2
124.00183	1.0
131.03517	1.1
133.02959	1.5
137.02409	8.2
149.01297	2.3
149.02426	36.3
150.03204	94.0
161.04594	1.3
164.04736	8.8
165.01894	52.6
165.05536	82.0
180.04247	45.3
187.01506	0.9
191.05637	7.9
195.06604	100.0
196.06891	1.4
200.93077	1.3
212.70035	1.1
233.06567	2.0
247.11847	2.0
301.07150	2.1
305.57285	1.1
316.09448	2.0
331.11899	9.9
379.15909	2.3
391.13959	16.8
392.32217	1.2
439.16354	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.1
57.03456	1.9
57.60333	0.3
58.01074	0.3
59.01379	7.8
61.98833	1.9
64.33745	0.3
69.03452	7.3
71.00975	0.9
71.01375	28.4
72.72176	0.3
73.02937	8.0
83.01382	4.0
85.02941	14.4
89.02404	0.6
89.60690	0.3
95.01390	2.7
98.00081	0.4
99.00856	3.3
101.02428	14.3
113.02433	55.9
114.02746	0.4
133.02945	0.4
143.03502	0.6
148.05292	100.0
149.05701	0.4
159.02971	2.8
161.04543	26.0
163.07634	41.8
168.72134	0.3
181.69846	0.3
197.73036	0.5
334.63751	0.5
345.72455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09639	6.7
54.81570	8.1
59.01381	100.0
59.43341	7.0
59.76291	7.1
61.98833	15.9
68.85921	7.7
71.01355	32.7
73.02946	11.1
83.01331	9.0
85.02940	11.7
92.10860	15.4
93.03443	14.0
94.23045	9.1
101.02423	16.6
121.02966	62.4
145.03069	9.5
165.11562	9.2
165.12820	55.0
183.13905	13.0
191.05603	21.0
227.12871	14.7
235.16812	11.1
335.30383	8.8
401.08466	11.5
439.13800	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48755	0.3
78.95891	16.4
78.96349	0.6
79.95721	1.2
83.14301	0.3
86.15401	0.3
96.95995	100.0
96.96946	31.1
103.95866	0.2
120.97881	0.2
192.71281	0.3
220.40689	0.3
260.18774	0.3
295.41339	0.3
439.08362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93884	0.2
57.57975	0.1
73.82763	0.2
78.95889	48.2
82.27275	0.2
92.63554	0.2
96.96944	100.0
100.10896	0.2
171.65596	0.2
179.51534	0.2
259.52063	0.2
376.28104	0.2
384.91580	0.2
413.04865	0.2
433.53207	0.2
439.08560	1.8
459.57617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48628	0.2
51.02051	0.2
51.61227	0.2
53.35832	0.2
62.05415	0.2
67.16831	0.2
78.95889	49.5
83.44141	0.2
96.96051	6.2
96.96940	100.0
162.09183	0.2
191.05626	0.4
239.19414	0.2
439.08575	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	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.5
56.07594	1.1
57.03445	8.2
57.48686	1.2
59.01374	76.9
61.54448	1.2
69.03448	2.0
71.01367	67.2
72.99297	1.8
73.01792	1.1
73.02929	41.7
78.44389	1.1
83.01360	21.7
85.02421	1.7
85.02932	45.5
86.00077	2.0
87.00852	3.1
87.04576	1.5
89.02425	14.7
95.01351	6.9
97.02952	2.5
99.00868	13.7
101.02422	75.5
107.79329	1.3
111.00891	1.5
113.02428	28.1
115.03979	1.5
121.02926	6.4
123.04378	1.4
125.02422	5.9
131.03514	2.1
143.03462	2.0
159.02968	4.8
161.04578	13.5
191.05638	1.8
305.19681	87.6
406.86969	1.6
437.23886	100.0
438.24075	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	439.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16616	0.2
58.07116	0.2
59.01386	0.5
63.80642	0.2
68.03133	0.2
69.51553	0.2
79.43680	0.2
79.95732	1.6
84.95116	2.1
85.02953	0.2
88.02754	0.2
93.03466	0.2
96.95996	100.0
98.95582	1.6
98.96305	0.3
116.92876	0.3
133.02968	0.4
135.04515	0.2
135.82071	0.2
161.02426	2.8
191.05588	1.3
341.08640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39507	0.2
59.01379	4.9
60.01724	0.3
61.01802	1.0
61.98826	100.0
64.77901	0.2
71.01342	0.2
85.02941	0.3
85.51460	0.2
93.03443	0.4
95.05029	0.2
106.34804	0.2
109.02940	0.2
119.05009	0.3
125.02428	0.4
167.03461	1.2
168.03763	0.8
179.03488	0.2
191.05571	1.9
315.08810	0.3
316.09125	2.0
316.12375	0.3
346.10043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68309	8.9
58.37732	11.8
59.01386	70.6
64.32608	10.6
88.98801	18.4
90.74783	11.7
101.02455	12.8
111.50990	12.0
113.02453	17.3
116.92856	100.0
196.49652	14.5
231.06670	14.9
415.86829	13.4
437.12152	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.00430	0.3
57.03443	0.7
58.00592	1.7
59.01374	87.4
59.21811	0.4
69.03445	1.5
71.01369	37.3
72.99297	1.8
73.02935	2.0
83.01385	3.0
85.02935	9.9
87.00868	2.4
87.04507	5.3
89.02426	45.9
93.03440	2.1
95.01375	2.8
99.00880	0.5
99.08143	0.5
99.08762	0.4
101.02424	25.4
102.89355	0.4
113.02438	22.3
119.03474	16.8
123.04623	0.4
131.03465	5.2
135.04521	0.6
140.29056	0.4
143.03490	1.0
149.04585	0.4
154.23921	0.5
161.04495	1.5
161.08209	1.7
162.58182	0.5
166.14987	0.4
179.05595	2.5
187.41270	0.5
191.05598	15.7
225.33253	0.5
274.74863	0.5
315.76343	0.4
323.13461	100.0
437.16644	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71544	0.6
53.43754	0.5
59.01375	100.0
61.10485	0.7
61.98826	0.8
63.47379	0.6
66.28123	0.7
71.01366	5.5
72.91818	0.7
72.99825	0.7
73.02908	0.8
81.29295	0.6
85.02952	1.7
87.04496	32.8
101.02413	2.9
104.50743	0.7
110.51940	0.7
113.02447	0.7
135.04465	0.8
140.59448	0.7
189.01842	1.1
191.05606	1.0
307.17612	1.3
377.21875	3.7
379.00699	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	65.2
71.01370	2.6
83.33633	0.6
85.02934	1.1
89.02428	0.8
93.03457	0.8
98.18930	0.5
101.02439	0.8
105.36279	0.5
113.02425	3.4
115.00293	0.5
135.04480	2.0
139.57941	0.5
140.75937	0.5
161.04474	0.7
161.22864	0.5
171.87813	0.4
178.99362	0.5
183.13889	14.4
189.01894	0.6
191.05577	2.4
195.13879	11.3
213.14955	100.0
227.16478	1.0
245.25618	0.6
255.15939	0.6
267.16187	0.6
341.06976	1.0
435.11139	0.4
438.53140	0.4
438.93060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01376	100.0
60.01713	0.9
61.01812	1.0
61.98819	3.0
66.23900	0.5
71.01392	0.8
78.22384	0.5
78.29774	0.4
80.29538	0.5
85.02959	1.1
89.02429	0.7
93.03415	1.1
97.06603	0.6
101.02437	1.8
123.04514	0.5
125.02406	0.7
134.79953	0.5
135.04517	0.7
137.02409	0.6
137.77477	0.5
161.02449	0.8
165.01921	2.3
172.24857	0.5
179.03520	0.9
180.04175	0.8
191.05582	7.6
192.05786	0.6
195.06627	0.8
225.07794	0.8
245.73816	0.5
260.35373	0.5
333.19330	0.8
350.90582	0.5
375.27469	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	435.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63224	0.2
59.01383	100.0
76.45780	0.3
85.02946	0.4
86.49397	0.3
92.17197	0.3
93.03450	0.3
101.25050	0.3
113.77028	0.4
114.33072	0.3
114.53793	0.4
137.02444	2.6
160.37857	0.4
161.02422	0.6
165.00533	0.7
165.01906	14.9
179.03487	6.3
180.04256	7.6
191.05592	1.3
194.05804	1.5
195.06628	8.9
209.08192	0.5
210.05402	1.7
222.75923	0.3
225.07677	5.0
232.27567	0.3
281.13779	0.3
292.72623	0.3
313.95346	0.3
333.18732	0.5
338.36838	0.4
357.09903	0.7
372.11813	0.7
375.20029	0.6
382.63153	0.3
387.14301	2.4
435.29413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44487	3.7
52.23764	4.1
54.81801	5.2
56.47377	3.8
58.12785	4.1
59.01380	100.0
71.01382	24.0
73.02954	4.5
77.33843	3.9
89.02434	50.9
93.03461	18.3
95.90946	3.8
99.00871	8.0
101.02422	9.4
102.36367	4.3
112.55479	4.3
113.02491	4.7
121.02956	9.0
135.04576	6.5
149.04523	18.7
191.05597	29.7
269.66980	5.4
273.20935	5.5
350.92169	4.4
435.21631	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.4
64.64471	11.1
65.32291	9.1
66.28529	10.3
72.67797	10.5
74.46700	10.4
75.39651	11.3
90.69934	11.5
92.80979	10.5
93.03432	23.0
100.84377	10.4
120.38154	10.8
129.65491	12.3
135.04482	25.1
159.81064	10.6
163.50584	11.0
191.05563	100.0
219.60901	12.5
273.01199	10.8
312.80502	11.5
338.87167	10.8
398.66263	11.8
435.21658	20.7
435.30841	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	435.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91707	5.5
59.01379	49.7
59.30281	5.5
70.13995	5.8
79.81886	4.9
85.02991	5.1
87.00879	5.6
91.58884	6.5
92.10111	6.4
93.03449	23.8
119.05032	7.4
135.04509	40.3
145.02972	10.4
173.04576	9.4
182.64265	6.0
191.05609	100.0
265.64438	6.1
347.20193	7.1
419.27197	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	435.1295
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
59.01380	5.5
59.79059	0.3
61.01822	0.3
61.98817	0.3
63.14315	0.2
65.03972	0.5
69.76828	0.3
71.01374	1.4
71.05015	0.3
79.05531	0.5
83.01382	0.3
84.16734	0.3
85.02955	1.2
89.02447	0.3
93.03439	5.0
100.46315	0.3
101.02408	0.4
107.05015	84.6
108.02175	1.2
108.05342	0.5
109.02935	3.8
113.02413	0.3
114.37235	0.4
121.02935	35.3
122.03721	63.5
124.01667	3.6
125.02422	1.4
131.04991	0.3
133.02910	0.6
135.04474	1.3
136.01633	1.2
137.02422	9.7
140.28394	0.3
147.04549	0.5
149.99530	0.5
150.03217	5.0
151.04005	3.8
151.05162	0.4
152.01149	0.4
153.01938	2.6
154.02708	7.8
168.00670	1.1
182.02196	4.4
191.05687	2.2
211.07596	1.2
227.07166	1.5
228.07979	0.3
229.08681	99.7
230.09001	2.0
255.06664	2.5
271.09930	0.4
272.06943	1.0
273.07669	62.6
274.08054	1.1
315.08740	1.3
321.14792	0.3
329.10431	0.6
344.12686	1.1
359.15128	0.7
375.27454	0.4
376.45999	0.3
435.12997	100.0
436.13309	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	435.1294
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
55.48381	0.4
57.01192	0.4
59.01371	3.4
65.03944	0.5
71.01378	0.8
71.05203	0.4
93.03438	5.5
107.05014	78.5
108.02161	0.9
109.02962	3.4
111.04538	0.5
117.61326	0.4
121.02055	1.1
121.02932	32.1
122.03718	64.0
123.04073	0.5
124.01650	3.0
125.02411	1.8
134.09161	0.4
135.04521	0.6
136.01665	0.6
137.02406	7.5
150.03221	6.6
151.03981	3.1
152.01115	0.5
153.01907	0.9
154.02716	7.0
178.85707	0.4
182.02177	3.5
191.05650	1.1
227.07190	1.0
229.08679	100.0
230.09068	0.9
241.08549	0.6
255.06659	2.7
272.06870	0.8
273.07669	59.2
274.59006	0.5
329.10141	0.7
359.14902	1.1
371.15204	0.7
375.27548	0.9
435.12970	96.5
436.13373	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13222	0.5
59.01374	6.5
60.99300	18.6
69.37216	0.6
71.01381	3.1
72.35372	0.6
73.02931	0.7
73.77474	0.6
85.02939	2.9
87.00851	0.7
88.98787	100.0
89.02438	3.1
92.10773	1.3
93.03461	3.4
101.02425	1.3
107.05016	9.4
109.02891	0.9
119.04958	0.7
121.02927	3.7
122.03724	10.5
123.04495	0.7
127.54778	0.6
135.04509	2.5
136.60446	0.6
137.02454	1.0
154.02713	0.8
163.03925	0.7
173.04536	2.3
175.03981	0.7
179.03363	0.8
187.73622	0.7
188.38826	0.6
191.03951	1.2
191.05583	15.8
192.05952	1.2
206.95874	0.6
229.08665	16.8
273.07642	15.8
300.63010	0.7
435.12610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31274	1.9
57.03445	13.3
59.01373	64.6
61.98820	27.6
71.01373	10.1
71.07786	2.0
71.76540	2.7
85.02947	8.3
88.98796	3.0
92.10153	2.6
93.03473	9.9
101.02426	4.1
103.03992	100.0
109.02940	23.2
113.02457	3.1
113.09694	2.5
118.09746	2.2
133.02965	3.9
135.04498	30.4
140.65132	2.2
145.02937	2.6
159.04462	3.3
159.10248	9.9
161.02463	8.0
163.04099	2.4
177.01917	34.8
181.12224	3.0
189.01920	84.1
189.03642	2.9
191.05592	20.7
191.14270	2.1
201.14952	21.2
203.03500	31.4
287.05930	2.7
299.05524	21.2
321.15549	17.9
325.06934	3.6
341.06641	4.8
402.76871	2.1
435.10837	11.8
435.21393	2.4
457.66916	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	435.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09476	0.4
54.81485	0.6
65.03970	0.8
67.01884	0.8
71.01356	0.8
74.26118	0.6
81.03442	32.4
82.87486	0.6
85.02934	0.7
92.10107	0.9
93.03429	5.7
95.01388	0.6
100.95954	0.5
106.04214	5.7
108.02112	0.7
109.02927	4.1
122.03695	2.4
123.04501	100.0
125.02386	1.1
135.04515	1.2
137.02435	0.8
138.03198	0.7
149.02423	6.0
178.31329	0.5
185.06078	0.7
187.07634	1.2
187.36540	0.6
191.05568	2.8
192.54556	0.5
211.07640	0.9
227.07108	2.2
229.08675	65.2
230.09058	0.8
255.06612	18.6
273.07703	27.8
350.10074	0.6
425.65671	0.8
435.12946	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1293
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
57.03439	2.4
59.01376	18.9
60.01718	1.3
61.01800	0.7
61.98821	7.8
63.09211	0.3
65.00312	1.1
67.60696	0.2
71.01350	0.4
80.65931	0.2
81.03445	15.9
83.01376	6.5
85.70431	0.2
92.10777	0.4
93.03440	11.3
95.01398	0.5
95.04994	1.2
99.04481	0.3
101.02391	0.3
107.01354	2.1
109.02927	0.5
111.04511	1.1
112.02217	0.3
119.05003	16.0
121.02930	1.1
123.04503	46.0
124.01669	1.3
125.02422	20.4
127.58179	0.3
135.04501	2.9
137.02452	0.4
139.04012	0.3
147.04529	1.0
149.02429	2.8
149.99565	1.7
151.00354	4.4
161.02420	0.3
163.03993	0.4
166.02638	0.6
167.03474	100.0
168.00594	2.5
168.03827	0.7
169.01361	0.3
177.01907	0.5
179.03473	11.2
181.09442	0.3
182.08955	0.3
187.07570	0.6
189.05556	2.6
191.03479	1.4
191.05475	0.6
211.07619	0.4
228.83975	0.3
229.08684	1.7
255.06561	1.4
273.07678	95.3
274.08038	1.6
341.06665	0.4
375.27438	1.2
395.04160	0.3
435.08591	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	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.6
61.98809	1.0
70.84386	0.6
71.01354	2.5
73.02936	0.9
78.98621	0.6
81.03427	0.7
85.02921	1.6
93.03438	73.0
95.01333	0.8
107.05023	9.4
108.02163	80.5
109.02945	33.5
113.02412	1.1
121.02975	5.5
122.03689	4.1
125.02405	0.9
135.04510	1.0
137.02432	100.0
138.95872	0.8
146.95174	0.7
152.01144	95.8
153.00732	1.4
153.01921	30.9
161.02359	0.9
163.03938	0.8
229.08701	10.1
273.07703	7.2
284.46951	0.8
297.06137	15.8
315.07187	17.2
334.56070	0.7
435.09070	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19693	0.5
51.17042	0.5
54.81726	0.7
59.01376	12.9
61.98815	4.7
65.03955	0.6
71.01367	1.4
73.02927	1.2
74.80198	0.5
78.72984	0.5
86.12352	0.5
88.70490	0.6
88.98801	0.8
89.03943	0.9
93.03444	18.0
95.04997	1.4
101.02451	0.7
101.39106	0.6
103.05531	0.7
105.03414	0.6
109.02940	27.5
117.03433	3.2
119.05001	3.4
121.02949	1.2
122.51260	0.6
123.04495	28.7
125.02419	2.4
133.02934	5.1
135.00861	0.8
135.04512	2.2
137.02422	1.1
143.05019	0.7
145.02931	10.8
147.04510	8.9
149.02396	0.9
150.03220	2.2
151.03999	12.2
153.01901	0.6
159.04469	3.7
161.02434	4.7
162.03279	0.7
163.03992	0.9
171.13849	3.1
173.04597	0.9
175.03987	1.2
176.01183	1.2
177.01924	32.7
185.06126	0.7
187.03923	1.1
189.01924	82.9
190.02707	18.2
191.03464	17.2
191.05544	4.3
203.03528	9.5
205.04999	0.9
216.00615	10.8
217.01413	49.4
218.02077	1.4
219.02945	15.7
225.05333	0.9
229.05087	1.3
231.02983	15.0
232.03612	1.2
233.04530	0.8
239.07112	1.0
239.51085	0.6
241.05020	2.9
245.08128	0.7
246.57918	0.7
255.06670	0.7
269.04547	1.3
271.06128	2.4
281.04535	2.5
283.06128	2.5
289.07227	4.2
311.05646	6.8
323.05481	1.0
341.06650	100.0
342.06946	1.1
375.27594	3.1
435.10815	33.0
435.26218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48614	0.7
50.63593	0.8
59.01371	10.1
117.03444	25.0
119.05009	35.3
145.02940	100.0
155.14395	0.9
163.03995	20.5
191.05653	1.6
269.21323	1.6
287.22321	8.7
433.25964	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91037	0.2
59.01379	0.2
62.04371	0.2
68.54882	0.2
69.03139	0.2
77.47789	0.2
78.95911	1.2
79.95750	1.0
85.02919	0.3
87.00904	0.3
93.03436	1.7
96.96001	100.0
99.00903	0.4
109.02928	0.4
115.00373	0.5
125.02406	0.3
135.04478	1.2
139.00308	0.8
157.01369	0.2
159.03017	0.2
161.02386	1.1
167.03468	0.3
175.02478	0.3
177.01907	0.9
179.03360	0.2
189.05710	0.2
191.05602	3.2
192.05876	0.3
206.02174	0.2
224.80438	0.2
229.71877	0.2
233.04543	1.2
273.47672	0.3
277.03387	0.5
319.04547	1.3
325.19098	0.2
434.60635	0.3
435.02390	0.2
435.10654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43163	0.2
51.93067	0.2
54.23873	0.2
55.25336	0.3
56.68420	0.2
59.01377	0.6
64.24301	0.2
67.01884	1.0
71.01382	0.3
78.95886	0.4
79.38791	0.3
79.95732	2.0
83.05040	0.3
85.02940	1.3
87.00863	1.7
87.49783	0.3
93.03439	5.1
96.95989	100.0
104.03363	0.3
109.51320	0.3
111.04473	1.1
119.04987	1.9
127.04016	0.3
129.66467	0.3
130.93684	0.3
135.04544	1.0
137.79031	0.2
163.03963	1.1
173.04536	3.0
191.05597	17.2
192.05983	0.3
201.28745	0.2
314.53806	0.3
337.09213	3.3
381.71887	0.3
432.41492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.13750	0.7
59.01375	3.9
61.98833	1.0
66.09624	0.8
68.35748	0.8
71.36729	0.8
78.95888	66.4
96.96954	8.8
126.36228	1.1
150.97998	1.5
152.99570	100.0
171.00604	5.1
433.23431	8.8
445.71442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29415	1.1
59.01380	7.3
60.56280	1.4
78.95885	83.9
84.21054	1.2
96.96946	6.7
109.94144	1.4
138.22740	1.6
152.99573	100.0
177.23724	1.3
177.25237	1.5
255.37204	1.3
306.67548	1.4
389.27411	1.6
433.23453	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	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06008	0.5
55.01889	2.6
57.03456	2.2
58.00588	1.2
59.01375	100.0
67.01888	0.8
68.99861	0.5
69.03448	0.7
70.38322	0.5
71.01371	32.1
72.99310	2.3
73.02929	4.9
75.00880	1.0
81.03472	0.6
83.01389	4.1
85.02937	13.7
87.00883	2.2
87.04501	2.3
89.02425	27.4
89.02946	1.0
91.51159	0.5
93.03434	7.8
95.01385	3.2
95.05036	0.5
96.95991	33.4
97.02958	0.9
99.00875	2.3
101.02425	17.1
101.03041	0.9
109.02965	1.2
111.04526	0.9
111.57812	0.6
113.01713	1.0
113.02437	12.9
117.24164	0.5
119.03484	11.4
119.04960	5.3
121.02948	1.3
125.02431	3.2
131.03563	0.7
135.04492	4.0
137.02428	1.1
143.03520	1.1
149.02359	0.8
149.04510	0.8
151.00336	0.9
155.03506	0.8
157.06612	0.6
161.02483	1.0
161.04572	5.8
163.00433	0.6
163.24641	0.5
165.01945	0.7
173.04518	2.3
179.03513	1.2
179.05576	4.2
182.04068	0.8
183.10286	1.1
191.05595	16.8
191.07333	0.7
192.05768	0.7
193.01431	2.0
199.07683	0.7
211.06094	1.1
214.21638	0.6
227.07141	13.8
242.65149	0.5
271.06125	5.2
271.19183	2.1
313.07144	7.9
321.34982	0.5
343.08279	2.1
387.20236	4.5
433.11880	0.9
433.17206	1.8
433.24567	13.2
434.10284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2593
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.32731	0.4
57.96434	0.5
59.01392	0.7
79.38254	0.4
117.03441	21.2
119.05006	33.3
121.02946	2.8
133.02983	0.8
145.02942	100.0
146.03336	0.6
152.99680	0.5
163.03987	19.6
192.95821	0.6
269.21072	2.1
287.22226	8.7
433.25952	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08461	0.3
59.01385	100.0
66.23816	0.3
71.01382	1.6
85.02968	0.5
89.02406	0.5
93.03487	0.4
95.01371	0.5
101.02457	0.5
109.02943	0.6
113.02400	0.5
130.54977	0.3
137.09735	0.4
191.05692	1.3
197.47246	0.3
310.91641	0.4
433.07901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92134	0.3
54.81387	0.3
59.01372	1.6
60.78929	0.3
71.01382	1.5
73.02939	0.8
79.95735	1.8
84.95111	0.3
85.02949	1.4
87.00888	0.6
93.03441	3.6
96.95994	100.0
101.02414	0.5
111.04515	0.6
131.36131	0.3
135.04521	4.2
136.04976	0.3
137.02371	0.3
151.85674	0.4
161.02457	0.6
173.04518	0.7
179.03473	3.7
179.05669	0.4
184.47795	0.4
185.38615	0.3
191.05582	8.6
192.05940	0.5
227.07172	1.3
234.07951	0.4
262.95917	0.4
335.07745	2.3
373.14743	0.6
397.35254	0.3
433.11313	0.6
433.21027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81887	0.2
55.94109	0.2
59.01377	11.9
63.02098	0.3
63.02391	3.3
63.32016	0.2
65.00315	8.7
69.98860	0.2
71.01379	0.5
76.82617	0.2
79.30011	0.2
80.02679	0.3
83.01373	5.7
85.02968	0.3
89.02416	0.5
93.03443	11.0
107.01381	19.0
108.02171	0.5
110.95955	0.3
112.05364	0.3
119.05008	57.5
120.05338	0.5
121.02924	0.6
121.06587	0.3
125.02437	1.7
131.01364	0.4
134.65587	0.3
136.01646	1.1
137.02455	0.3
145.02980	0.6
149.02405	0.5
151.00359	55.7
152.00739	0.5
161.06068	0.4
164.01152	1.1
165.01888	2.7
165.05554	1.3
168.93758	0.3
169.01370	1.7
175.00377	1.5
177.01915	7.8
185.06096	0.5
187.04077	0.4
191.05594	0.6
193.01389	0.6
227.07097	0.6
236.14349	0.3
253.05049	0.4
271.06113	100.0
272.06393	1.8
277.46191	0.4
295.06082	0.6
313.07248	1.6
417.41278	0.3
433.11246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.28157	0.4
56.75566	0.5
57.03440	1.0
59.01376	72.5
59.05329	0.5
61.98843	1.1
63.02391	6.3
65.00316	15.6
68.72777	0.5
71.01379	8.4
73.02938	2.3
74.26307	0.6
75.38387	0.6
81.03447	0.9
83.01370	13.6
85.02946	3.3
89.02428	7.4
93.03426	7.3
95.01395	1.0
101.02409	6.0
107.01384	23.5
109.02911	0.7
111.08153	6.0
113.02452	4.2
117.03448	1.0
119.03518	2.8
119.05006	56.1
121.02948	0.9
124.01676	0.8
125.02451	4.4
133.02882	1.3
137.02411	1.1
139.07695	0.7
143.05048	1.3
144.51065	0.6
145.02937	7.5
151.00356	86.5
156.99605	0.6
157.08672	14.9
157.23283	0.5
160.38728	0.7
161.06053	1.4
165.01900	8.5
167.05014	0.8
169.01381	4.2
177.01915	6.0
179.03452	0.7
184.05356	0.7
185.06041	5.9
187.04045	6.3
191.03540	0.6
191.05583	3.9
193.01347	1.2
194.05588	0.6
211.13251	0.6
227.07158	4.9
255.09216	0.7
271.06122	100.0
272.06445	1.4
294.85663	0.6
313.05823	3.1
319.13977	26.2
331.17514	0.8
373.25955	2.7
433.11331	8.1
433.24716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.1
57.89964	0.1
59.01376	16.0
61.98841	0.2
63.02389	3.9
65.00315	8.7
71.01369	1.4
73.02946	0.2
73.41718	0.1
78.82374	0.1
79.74915	0.1
83.00877	0.2
83.01374	6.1
85.02940	0.6
88.86214	0.1
89.02445	1.0
93.03440	10.4
97.02926	0.3
101.02425	0.9
107.01379	18.3
108.02151	0.7
108.99296	0.2
109.02926	0.3
113.02428	0.6
117.03461	0.2
119.05008	60.4
120.05325	0.6
121.02911	0.6
121.06590	0.5
123.00869	0.2
123.04520	0.3
125.02423	1.6
131.01378	0.8
133.02940	0.2
135.04536	0.1
136.01628	0.8
137.02409	0.7
143.04977	0.2
145.02936	0.9
149.02376	0.3
150.84763	0.2
151.00359	56.3
152.00787	0.3
155.10725	0.3
161.02390	0.2
161.06067	0.6
164.01181	1.3
165.01910	2.7
165.05562	1.6
169.01395	2.2
173.04565	0.2
175.00323	1.8
177.00351	0.2
177.01924	6.8
185.06046	0.7
187.04001	0.7
189.01971	0.2
191.04001	0.1
191.05597	1.4
193.01385	1.2
196.00157	0.2
203.07039	0.2
211.04076	0.3
216.36147	0.1
227.07153	1.0
228.46310	0.1
229.05023	0.7
229.08667	0.2
234.89471	0.2
253.04988	0.3
253.55763	0.2
268.03787	0.3
269.04318	0.3
270.04541	0.7
271.06119	100.0
272.06390	1.7
295.06113	0.9
313.07208	1.4
373.22287	0.2
429.56329	0.2
433.11337	1.4
433.16376	0.2
433.24268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0772
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.08116	0.4
54.36818	0.3
59.01107	1.9
59.01435	23.0
65.00370	0.5
71.01411	0.9
73.02991	0.6
83.01428	0.9
85.02973	0.7
89.02467	0.7
93.03505	0.7
101.02467	0.9
104.87405	0.4
107.01487	1.9
108.02237	0.9
109.03001	0.9
109.51302	0.4
113.02485	0.6
121.03020	1.8
125.02482	0.5
128.81915	0.4
135.00925	1.7
143.05060	2.5
148.01726	2.2
151.00352	8.6
157.06683	0.8
159.08263	0.5
163.00392	1.9
164.01163	0.8
167.05002	0.5
175.35695	0.4
178.99823	3.3
181.06645	0.5
183.08195	2.1
185.06082	3.1
185.31999	0.4
187.04002	0.4
191.05653	0.7
191.30324	0.4
199.04117	0.8
209.06067	0.8
211.04036	1.6
212.04839	0.7
225.05637	1.9
226.02710	2.5
227.03720	3.8
227.07117	17.6
227.09283	0.6
243.02971	14.3
243.05339	0.8
245.04536	0.6
253.05038	10.5
254.02229	2.1
255.02986	31.5
271.02493	67.1
271.06070	14.3
272.03079	2.7
273.03809	0.5
283.02246	0.6
299.02148	0.7
300.02744	100.0
301.03491	18.6
313.06873	0.5
400.26724	0.4
433.07593	45.1
433.24130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02272	0.2
54.24141	0.2
58.96955	0.2
59.01368	4.6
59.21416	0.2
71.01366	2.1
78.95890	5.4
79.95729	1.5
80.51917	0.3
85.02946	0.6
87.00886	0.3
88.98813	0.3
89.02419	2.4
93.03439	1.6
96.95989	100.0
96.96888	8.3
101.02449	0.4
113.02439	1.2
116.92844	0.6
125.02442	0.3
139.03979	2.1
173.04530	3.1
177.01860	0.3
191.05560	2.0
271.02322	2.1
283.10217	1.6
307.21692	0.3
335.13455	0.6
345.60953	0.3
373.15042	0.4
381.07281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56160	0.6
59.01375	100.0
61.98825	1.6
71.01675	0.7
77.74007	0.7
78.95885	18.3
91.28882	0.6
91.35389	0.7
96.96964	1.7
96.97613	0.7
100.32047	0.7
103.81588	0.9
104.52957	0.6
117.03443	14.4
119.05020	21.4
121.02961	0.9
145.02946	56.7
152.99583	30.9
163.03986	12.6
171.00635	0.8
218.95918	0.7
267.19681	1.0
285.20688	5.1
297.24207	0.8
322.51218	0.7
353.28223	0.8
413.30627	1.2
431.24353	15.7
431.31610	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33123	0.2
56.01826	0.2
59.01377	2.6
61.98825	100.0
71.44511	0.2
72.57026	0.2
75.33680	0.2
78.65102	0.2
79.56006	0.2
80.69707	0.2
100.28461	0.2
110.34775	0.3
111.29160	0.2
135.04553	0.3
151.84219	0.2
157.71655	0.3
179.61674	0.2
194.55347	0.3
195.72673	0.3
267.37534	0.3
432.31769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75462	0.7
54.87621	0.8
61.98824	100.0
71.63394	0.7
76.55731	0.8
228.32484	1.0
273.35593	1.0
311.34628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48250	0.5
50.98204	0.5
57.33019	0.5
59.01374	12.4
63.02404	0.7
65.00361	0.7
68.49184	0.7
71.01373	3.4
83.01355	0.7
89.02438	1.5
101.02437	1.2
107.01370	4.1
108.02151	1.3
109.02926	3.1
121.02934	1.4
135.00835	0.7
148.01682	2.7
149.02359	0.7
151.00348	12.4
153.34006	0.7
162.59967	0.7
163.00336	3.7
178.99863	5.6
187.04007	0.7
191.05566	1.0
199.04019	1.3
201.05502	0.9
211.04016	1.1
226.02695	3.7
227.03467	6.6
229.05052	0.7
243.02980	17.5
245.04500	1.3
254.02159	3.8
255.02971	38.8
271.02460	89.2
272.03018	3.0
273.03842	0.6
283.02499	1.1
299.02039	1.5
300.02740	100.0
301.03513	51.8
309.50195	0.6
433.07715	58.1
433.24200	1.3
434.08408	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37211	1.9
59.01085	3.5
59.01377	95.6
59.01674	3.8
61.98787	1.7
62.26694	1.8
62.93098	1.7
64.55009	1.9
74.36774	1.7
75.75461	1.9
77.21009	1.7
117.03436	25.6
119.04996	44.7
145.02942	100.0
161.43828	1.8
163.03992	24.6
184.24945	2.0
236.43372	1.9
267.19485	2.8
285.20673	8.8
297.24405	2.2
431.24408	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76397	0.2
59.01376	100.0
61.98825	1.1
64.97337	0.2
91.03995	0.6
117.03471	1.1
119.05006	1.9
121.38963	0.3
145.02943	5.4
163.04002	0.4
297.24319	2.4
431.24298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.9
57.03449	2.2
58.00598	0.8
59.01376	100.0
61.98831	2.6
70.89238	0.5
71.01373	29.5
72.99299	1.1
73.02929	8.2
83.01376	4.5
85.02942	14.7
87.00885	0.6
87.04494	4.0
89.02430	15.0
92.10809	0.7
92.95274	0.6
93.03434	2.2
93.36559	0.5
95.01382	3.7
99.00888	1.4
101.02428	21.0
107.54558	0.5
113.02438	9.9
113.61411	0.6
119.03476	5.1
120.99734	0.6
121.02937	1.0
131.45865	0.5
133.02954	1.1
135.04524	1.2
139.04012	7.4
159.02904	0.7
161.04552	3.1
179.05588	0.8
191.05571	1.3
203.10774	2.6
251.16403	1.0
269.04520	8.8
275.09378	0.8
294.72726	0.5
362.30606	0.6
371.20724	9.4
371.24890	0.8
401.11694	0.6
431.22858	62.4
432.22968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04183	0.6
54.81345	0.8
57.67889	0.7
59.01374	41.9
61.98846	1.5
72.74662	0.7
78.95886	23.5
96.96950	3.2
117.03452	27.4
119.05006	37.5
121.02943	3.1
124.46519	0.9
133.02950	0.9
145.02942	100.0
146.03214	0.8
150.97932	0.8
152.99573	33.3
163.03995	22.2
173.00189	0.9
177.92429	0.9
208.07030	0.8
267.19656	1.9
285.20688	9.8
353.28522	3.2
413.30655	5.4
431.24344	27.2
431.31619	29.2
444.59070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48751	0.9
54.81614	0.9
57.03445	5.0
59.01376	99.2
61.98839	0.9
67.55096	0.9
71.01375	23.1
71.01743	1.1
71.05022	1.9
72.02187	1.3
73.02940	13.3
75.00864	1.5
83.01401	2.4
85.02922	8.8
87.04502	89.8
89.02430	19.4
91.59298	1.0
92.10204	2.5
93.03459	1.3
95.01407	2.1
99.04496	7.5
101.02435	16.2
101.06136	0.9
113.02422	12.5
119.03464	8.1
121.88297	1.1
123.04503	4.5
151.00330	2.2
153.09207	1.9
161.04587	3.9
191.05605	7.0
207.17496	5.6
209.15437	2.4
251.16544	12.0
269.04523	1.8
269.17578	100.0
293.17642	1.9
296.31180	1.0
311.05713	1.2
371.20810	4.9
389.21698	2.0
431.22824	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56410	0.4
50.99894	0.3
55.01881	5.2
55.31813	0.4
57.03452	3.2
58.00575	0.8
58.76227	0.4
59.01375	50.6
61.98831	2.2
65.95416	0.3
71.01369	37.0
72.99292	1.0
73.02935	9.6
75.27854	0.4
76.55119	0.5
78.69807	0.4
83.01373	5.2
84.31032	0.4
85.02943	17.6
87.00870	2.7
87.04501	4.1
89.01884	0.6
89.02431	16.2
89.02962	0.7
89.79159	0.4
92.10791	0.8
95.01382	3.9
99.00877	3.9
99.04494	0.4
101.02427	20.9
110.96751	0.4
113.02450	11.2
119.03461	4.9
125.02438	0.6
133.02956	0.5
143.03395	0.4
151.00346	0.5
161.04533	2.9
191.05588	2.4
216.60310	0.4
251.16425	1.4
269.17581	0.8
297.03940	0.4
351.64267	0.5
385.93695	0.4
387.23709	0.6
431.22842	100.0
432.22955	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70939	0.3
59.01374	100.0
71.01389	0.6
109.02970	0.3
125.02452	0.8
149.99518	0.5
151.03972	0.4
153.01953	0.5
161.02441	5.4
164.04718	0.4
168.00636	0.4
176.04747	3.4
179.03474	8.2
191.05563	0.6
191.07089	1.2
193.79137	0.4
194.05811	7.8
209.08192	16.4
331.06268	0.5
431.07648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
58.32055	0.8
59.18750	0.6
61.15400	0.8
61.98825	3.2
71.68575	0.7
78.95889	66.0
84.09477	0.7
92.10011	0.8
96.96921	6.4
101.51087	0.7
102.88739	0.7
150.86552	0.8
150.97990	1.1
152.99577	100.0
156.82426	0.8
165.92650	0.8
171.00621	1.5
203.68227	0.9
230.76888	0.8
431.21838	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	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64616	0.3
54.81810	0.3
57.35658	0.3
57.63526	0.3
58.40928	0.3
59.01375	100.0
68.76718	0.3
71.01376	4.8
73.02926	0.8
83.01367	0.3
85.02944	1.4
87.32227	0.4
88.98789	3.6
89.02420	5.2
101.02441	2.4
113.02443	2.1
114.37156	0.4
119.03470	2.2
160.12360	0.3
161.04532	1.6
169.26703	0.3
179.05524	0.7
186.79227	0.3
191.05615	0.7
198.99141	0.3
214.18533	0.4
268.03665	0.7
269.04410	0.5
371.20648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.2
60.08086	0.4
65.17399	0.4
67.14346	0.3
67.57064	0.4
75.98746	0.4
83.94220	0.4
84.92647	0.4
92.50946	0.4
93.03442	2.2
116.02934	0.4
121.02930	100.0
133.02927	1.0
135.04495	0.9
137.02411	1.0
137.31897	0.4
148.04852	0.4
179.03410	0.5
183.08092	3.1
191.05576	1.7
227.07115	1.6
281.74673	0.4
320.47748	0.5
357.62131	0.5
370.23322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92073	2.3
55.01891	12.7
57.03437	4.2
59.01376	100.0
62.27753	2.4
62.93658	2.4
71.01366	72.0
72.99307	2.5
73.02943	19.3
75.00863	4.2
83.01383	17.4
85.02942	50.8
87.00861	4.9
88.98785	3.7
89.02422	20.1
90.59858	2.7
93.03447	3.6
95.01374	3.8
96.95984	29.5
97.02962	3.1
98.95615	4.4
99.00860	5.7
101.02422	64.0
113.02424	30.0
135.04523	14.5
143.03574	3.6
145.02946	3.4
146.52231	2.9
151.07599	6.0
158.13269	3.0
159.02948	4.2
160.01680	4.4
161.04544	19.9
175.03963	4.7
182.09886	2.8
191.05565	38.0
195.06609	47.1
236.38808	3.3
269.10339	42.1
431.15491	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68283	1.3
55.01882	7.4
57.03447	5.5
59.01374	70.1
59.88432	1.2
65.99914	1.3
71.01368	68.7
73.02934	17.4
75.00856	1.5
78.95891	1.3
83.01382	14.6
85.02932	35.1
87.00893	3.1
89.02431	21.9
95.01373	5.7
96.95988	100.0
99.00842	9.8
101.02425	48.8
112.01592	1.4
113.02428	29.0
117.02395	1.2
119.03487	1.9
125.02424	7.7
127.07606	1.5
131.03494	2.5
143.03465	3.1
149.04510	3.2
153.84435	1.8
159.02921	2.6
161.04541	20.5
191.05562	5.5
269.10315	31.3
292.49045	1.5
398.79852	1.3
399.43915	1.5
416.21228	1.5
418.68576	1.6
431.09659	1.8
431.15616	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67585	0.4
59.01376	3.4
61.98875	0.5
65.00314	0.8
66.52698	0.5
68.10437	0.5
71.01369	0.9
77.03944	6.0
79.01878	2.5
81.03500	0.6
83.01358	0.8
85.02939	0.7
92.10130	3.2
93.03432	5.3
96.95995	3.5
105.03426	0.9
107.01341	0.8
117.03448	23.0
119.04991	2.3
121.02912	5.1
133.02966	1.1
135.04510	5.3
137.02425	0.9
145.02960	0.8
147.04485	0.9
149.02412	4.4
159.04520	6.8
161.02429	10.0
163.00339	2.2
163.03987	6.6
165.01933	0.8
167.57108	0.5
173.02382	0.7
179.03525	0.9
183.04359	0.8
189.03964	0.6
191.03455	3.1
191.05562	6.5
195.08049	0.7
196.05244	0.7
197.05998	2.6
203.03508	2.3
209.06128	1.0
211.07614	0.7
213.05522	0.8
215.07095	0.9
224.04730	0.9
225.05562	0.9
237.05417	0.7
239.07172	4.0
240.04477	0.6
241.05019	0.7
243.06602	1.0
253.05011	1.0
268.03769	5.5
269.04553	11.0
271.96347	0.6
281.04517	7.6
282.05328	3.3
283.06100	87.4
293.04630	4.5
295.06119	2.2
311.05615	100.0
312.05920	1.0
323.05624	6.2
341.06674	12.7
353.06647	1.0
362.50061	0.6
431.09778	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	8-C-Rhamnopyranosylluteolin
Peak:m/z	Relative Intensity
53.45599	0.6
59.01379	31.4
61.98819	0.8
65.00321	1.0
71.01369	5.8
72.36259	0.7
73.02941	3.1
83.01373	1.2
84.95913	0.7
85.02968	0.9
86.83344	0.7
89.02412	1.2
93.03436	1.1
101.02439	3.4
107.01379	1.0
109.02960	3.2
113.02402	0.8
121.02925	4.3
125.02406	3.4
133.02940	39.3
134.03693	1.9
135.00879	1.0
135.04501	3.3
135.91577	0.8
137.02438	1.9
145.03053	0.8
147.04546	1.9
149.02504	1.8
151.00375	3.5
151.04022	1.0
161.02402	6.6
163.00337	11.2
163.03992	5.8
165.01897	4.1
175.03967	10.0
177.01921	1.8
191.03401	1.9
191.05562	5.6
193.01355	1.5
197.06104	1.5
199.03967	1.9
201.01949	2.8
203.03419	1.4
209.11884	1.5
211.04034	1.4
211.07634	1.2
213.05562	1.0
225.05579	5.8
227.03525	3.1
229.05055	1.1
240.04276	1.7
241.05060	4.0
243.03017	1.6
253.04991	4.0
255.02913	6.4
256.03702	1.4
257.04535	1.1
267.06641	1.2
269.04489	6.3
269.13843	5.5
281.04553	1.4
283.06119	1.1
284.03278	17.9
285.04041	40.0
297.04041	63.1
298.04794	51.9
299.05600	24.9
309.04053	0.9
311.05652	18.2
324.02710	5.6
325.03482	1.4
327.05096	81.8
339.05087	17.7
341.06607	2.7
357.06171	100.0
358.06549	3.0
369.06229	1.9
395.07614	3.2
413.08771	13.3
431.09860	89.0
431.22629	1.7
432.10229	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	1.2
59.01377	7.6
60.34032	0.7
71.01379	2.5
73.69337	0.7
77.03952	3.9
79.01893	2.8
83.98379	0.6
84.67162	0.6
92.10810	1.4
93.03446	4.0
102.98586	11.9
105.03453	0.7
107.01402	0.8
117.03436	18.5
119.04977	1.0
120.99757	0.7
121.02927	6.4
125.02371	1.1
127.25179	0.7
133.02910	0.8
135.04486	1.6
141.68312	0.7
149.02446	1.1
151.00345	1.6
159.04494	3.1
161.02415	8.5
163.00426	3.6
163.03963	2.9
165.01912	3.2
169.06630	0.9
175.04088	0.7
177.01834	0.7
181.06538	0.8
182.03685	0.9
183.04456	0.7
183.08066	1.2
185.02419	0.8
191.03540	1.1
191.05557	1.5
193.01408	0.8
195.08156	1.4
197.06084	1.4
211.07686	1.0
224.04727	1.5
225.05573	1.3
239.07098	3.0
253.05188	1.0
254.05684	0.9
268.03604	5.7
269.04541	14.9
281.04517	19.2
282.05304	13.9
283.06094	76.2
293.04617	2.5
295.06073	9.3
309.03983	1.0
311.05606	100.0
312.05835	0.8
314.04309	3.4
323.05576	16.7
325.07147	1.6
341.06631	48.6
342.06934	0.8
353.06760	2.6
413.09009	2.4
431.09814	61.2
432.10529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81517	0.4
57.03462	0.5
59.01378	3.4
62.31203	0.4
65.00330	0.5
66.86774	0.4
67.01887	0.4
70.24691	0.4
71.01370	1.1
72.87501	0.4
77.03946	5.1
79.01904	2.6
85.02950	0.6
92.10767	1.0
93.03450	4.6
96.95999	0.5
98.98513	0.5
102.98613	2.0
105.03452	0.7
107.01377	0.5
117.03452	17.7
119.05037	2.2
121.02943	5.5
125.02445	2.1
133.02956	0.5
135.00847	0.5
135.04494	5.9
137.02475	0.8
145.03017	0.6
149.02426	3.0
159.04521	3.6
161.02409	7.3
163.00375	2.0
163.03993	6.2
165.01930	2.7
175.03981	0.8
177.01891	0.5
179.71442	0.6
182.03807	0.7
183.04440	2.2
183.08186	0.9
185.02531	0.6
191.03644	0.6
191.05585	2.1
193.01369	0.8
194.07280	0.5
195.08171	1.0
196.05305	0.7
197.06070	2.4
203.03494	0.9
209.06035	0.9
210.06824	0.6
211.07646	2.1
224.04791	1.7
227.03615	0.6
232.47006	0.6
237.05624	0.9
239.07112	4.1
240.04214	0.7
253.04991	1.0
265.05246	0.6
268.03705	4.6
269.04565	8.0
281.04535	11.9
282.05261	8.6
283.06107	81.2
284.06482	1.1
293.04529	3.4
295.06140	7.2
309.03979	0.8
311.05612	100.0
312.05963	2.2
314.04315	3.0
323.05667	11.2
325.07132	1.8
341.06653	25.4
353.06570	2.2
413.08725	1.0
431.09808	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81696	0.8
57.32187	0.7
59.01376	100.0
61.98838	1.0
150.58658	0.9
196.20386	0.9
225.01826	0.8
286.72217	0.8
295.22733	1.5
340.29565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51683	0.1
59.01376	100.0
61.82035	0.2
61.86887	0.2
71.53323	0.2
85.96152	0.2
87.88910	0.2
91.03983	1.7
246.11786	0.2
295.22812	4.2
404.50516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3007
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
59.01376	19.7
71.04998	2.7
79.55708	1.1
90.08521	1.2
92.16664	1.3
147.72284	1.4
261.97272	1.4
267.71716	1.3
293.55865	1.5
369.27737	1.4
385.30930	1.6
411.29001	18.7
429.30075	100.0
430.30551	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	429.3007
Annotation	Kuguacin E
Peak:m/z	Relative Intensity
52.49266	0.6
54.77684	0.5
59.01372	4.3
66.68886	0.7
71.05013	3.0
71.37517	0.6
78.47474	0.6
92.10159	2.8
112.63889	0.9
120.26092	0.7
169.85963	0.7
243.00331	0.8
243.13571	0.8
255.31033	0.7
323.23822	0.9
349.29016	3.0
365.06894	0.8
369.27829	1.1
385.30875	1.0
411.29071	20.6
416.64670	0.7
429.30060	100.0
430.30399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16886	0.2
59.01361	0.4
61.98824	100.0
66.28375	0.2
70.19619	0.2
85.49427	0.2
90.78768	0.2
97.63190	0.3
98.79567	0.2
178.42255	0.2
261.91608	0.2
361.45554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0771
Annotation	Kaempferol 3-p-coumarate
Peak:m/z	Relative Intensity
53.40571	0.4
56.46695	0.3
56.84725	0.3
59.01372	2.3
59.05986	0.3
65.00323	0.4
65.43122	0.4
71.19716	0.3
73.66247	0.3
88.58242	0.4
93.03453	2.4
109.02950	0.6
117.03448	0.6
119.04910	1.2
125.09698	4.0
132.02161	1.5
133.02937	33.9
143.05006	2.4
145.02901	5.1
167.05008	0.8
175.03951	1.5
177.01886	0.5
181.06602	0.5
183.04414	1.4
187.03989	3.9
187.09766	3.6
191.05673	0.7
199.04092	3.4
201.01924	6.6
202.99887	5.2
209.06059	2.3
211.04021	2.7
225.05580	0.8
227.03572	0.9
243.02960	1.5
253.05055	5.5
255.02985	13.5
261.13333	0.6
265.05090	0.9
267.02835	0.6
281.04510	1.6
285.04083	0.5
293.04514	0.4
295.02420	0.9
297.04059	2.7
303.06555	0.5
309.04150	1.6
310.04922	0.5
311.02090	1.4
311.05606	3.6
317.08212	0.8
337.03525	17.1
345.07565	1.5
361.07031	0.9
388.40866	0.4
389.06689	38.2
390.07083	1.5
431.07712	100.0
431.23059	2.1
431.71362	0.4
432.08078	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.2
58.00583	0.4
59.01378	100.0
59.53886	0.2
60.01711	0.3
60.36664	0.2
61.98813	0.2
67.42187	0.2
71.01373	8.9
72.99332	0.3
73.02948	0.6
83.01381	0.3
85.02957	2.3
89.02436	13.2
95.01377	0.5
98.41698	0.2
101.02436	4.8
113.02440	4.1
119.03491	4.7
130.82466	0.3
131.03467	0.5
137.09727	3.4
143.03482	0.5
149.04564	0.4
161.04510	1.4
179.05571	3.6
328.20935	0.3
369.06317	0.4
397.98236	0.3
429.08578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98832	1.8
66.36856	0.4
71.01376	8.5
76.55650	0.5
76.56104	0.6
83.01369	0.8
85.02953	2.0
87.00865	0.6
88.84784	0.4
89.02434	7.4
99.07195	0.4
101.02431	5.9
108.33856	0.5
113.02447	3.6
119.03484	5.1
132.35396	0.5
137.97134	0.4
161.04543	1.0
165.12822	2.0
179.05617	2.1
203.17194	0.5
207.13857	4.5
219.13861	1.0
224.45538	0.6
249.14935	1.0
284.50293	0.6
285.04028	2.2
369.19400	0.6
409.34192	0.6
429.21277	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
57.03465	1.2
58.00585	0.8
59.01377	100.0
71.01372	36.2
72.99307	3.5
73.02943	1.0
83.01392	1.3
85.02949	10.4
89.02430	38.1
89.02957	1.4
95.01407	3.5
99.04498	5.5
101.02424	17.7
101.03032	1.0
107.05039	0.8
113.02449	11.4
114.01974	0.7
119.03485	15.7
131.03479	0.9
143.03522	0.9
149.04495	1.1
161.04573	1.2
161.13347	16.8
162.33258	1.0
177.80127	0.8
179.05597	4.4
187.11232	1.6
205.12350	32.7
205.14307	1.0
249.11316	31.8
312.05701	0.7
429.17639	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17756	0.4
55.01882	0.5
57.03448	5.0
59.01378	100.0
59.36922	0.4
71.01376	7.7
71.85519	0.4
73.02938	1.0
78.75181	0.4
85.02940	3.4
89.02417	4.7
99.00875	0.8
99.04535	0.6
101.02444	4.6
113.02436	4.4
119.03490	1.1
137.09703	2.2
138.40123	0.5
140.54414	0.7
143.03415	0.4
151.07552	0.5
161.04524	5.6
161.13303	1.0
192.11552	4.6
205.12343	3.3
207.13902	24.5
249.11397	5.8
285.04083	1.0
390.53897	0.6
429.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98832	1.8
66.36856	0.4
71.01376	8.5
76.55650	0.5
76.56104	0.6
83.01369	0.8
85.02953	2.0
87.00865	0.6
88.84784	0.4
89.02434	7.4
99.07195	0.4
101.02431	5.9
108.33856	0.5
113.02447	3.6
119.03484	5.1
132.35396	0.5
137.97134	0.4
161.04543	1.0
165.12822	2.0
179.05617	2.1
203.17194	0.5
207.13857	4.5
219.13861	1.0
224.45538	0.6
249.14935	1.0
284.50293	0.6
285.04028	2.2
369.19400	0.6
409.34192	0.6
429.21277	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	429.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40424	2.4
59.01383	18.1
68.39133	2.4
77.99255	2.3
78.95929	4.5
79.95725	3.5
85.02997	3.1
88.40622	2.3
89.02454	10.8
92.10876	6.0
93.00047	2.8
96.95995	100.0
115.07761	2.6
148.68837	3.0
163.27132	3.1
195.43805	2.7
197.27240	2.6
197.84395	2.6
264.80521	2.7
393.17639	3.5
429.15186	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	429.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95753	1.1
59.01384	35.4
71.01377	11.9
73.02941	1.5
76.56363	1.1
80.13083	1.3
82.95426	2.4
85.02953	5.8
87.28853	1.4
89.02442	7.9
93.03468	2.9
96.96009	7.7
101.02438	6.5
108.79816	1.2
109.02928	5.6
110.71704	1.2
111.30637	1.2
113.02445	1.4
119.03489	1.8
123.04501	75.1
129.07037	10.3
145.06599	10.4
149.29933	1.2
151.30890	1.2
152.01167	1.5
153.01939	1.6
153.05557	100.0
153.94467	1.2
167.03542	2.6
173.06018	24.7
191.05600	11.7
315.10809	15.8
334.35724	1.5
397.11423	18.4
408.68076	1.4
420.23593	1.5
429.15384	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68766	1.0
58.00591	1.2
59.01376	100.0
61.51437	0.9
71.01373	41.4
72.99296	2.0
82.20042	1.0
85.02931	10.5
89.02425	41.2
90.08436	1.0
92.10241	2.6
92.63699	1.1
95.01349	2.4
99.04493	5.5
101.02430	17.2
108.05180	1.1
111.04507	1.5
113.02427	17.3
119.03507	13.0
137.79521	1.1
157.26994	1.2
161.04509	1.8
161.13365	14.0
179.05592	6.0
187.11307	2.4
198.22705	1.1
205.12325	42.0
224.66031	1.3
249.11311	35.3
429.17648	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	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28376	0.5
58.13475	0.5
59.01378	1.4
62.87893	0.5
63.45171	0.6
69.03465	2.4
71.01376	2.9
74.29220	0.6
76.68340	0.6
81.03445	1.1
85.02952	4.7
93.03439	3.2
94.64664	0.6
95.01389	0.8
101.02460	1.0
101.19919	0.6
107.72492	0.8
108.02158	100.0
109.02940	67.3
113.02422	8.6
121.02918	1.3
123.00790	0.9
123.04533	1.4
151.03987	2.5
152.01138	94.6
153.01920	63.0
155.10257	0.7
163.04024	2.5
165.01897	1.4
180.82010	0.7
186.03833	0.7
191.05615	4.9
305.28027	0.6
312.02292	0.7
315.07199	97.5
316.07324	1.2
359.46576	0.6
429.10355	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81431	0.8
59.01382	35.8
64.57404	1.0
65.00330	2.4
71.01392	6.0
77.03983	2.0
79.01881	1.7
81.03441	1.2
83.01362	1.0
85.02946	4.1
89.02425	2.0
92.10798	2.4
93.03451	4.2
95.01319	1.3
96.96004	5.6
97.02905	1.2
101.02444	1.6
102.45703	1.0
107.01418	1.4
108.02213	1.1
109.02941	8.0
113.02441	1.3
121.02953	6.7
123.00896	0.9
123.96790	0.9
124.01614	1.4
125.02426	1.6
133.02933	42.0
134.02821	1.1
134.03687	7.2
135.00829	2.1
135.04514	6.6
136.01610	1.5
137.02390	1.5
139.00349	1.1
140.01178	1.1
145.02946	1.5
146.03716	14.8
147.04475	1.7
149.02484	1.5
149.06049	1.5
151.00395	1.9
161.02431	6.8
161.06090	4.9
163.00400	14.4
163.03992	5.6
164.01128	1.9
164.04764	9.6
165.01900	5.4
167.77748	1.0
168.34355	1.0
175.03993	6.0
176.95113	1.3
177.01871	1.3
179.03459	1.5
179.07118	22.1
182.03763	1.3
189.01917	1.4
189.05753	1.2
189.98933	1.2
191.03658	1.9
191.05620	14.3
193.01425	1.4
197.06047	1.5
199.04022	3.9
201.01898	6.3
209.06123	1.2
211.03908	1.7
213.05640	4.8
217.05013	1.9
218.05902	7.8
224.04683	1.7
225.05536	3.8
227.03465	4.6
229.05043	1.4
233.08086	1.5
234.05258	1.5
241.05074	5.1
243.02713	1.6
249.07584	2.2
249.14868	1.7
250.08589	2.0
251.03557	1.4
251.09299	2.2
253.05067	6.9
255.03073	2.0
257.04477	1.1
267.16141	1.7
268.03714	1.3
269.04614	7.9
270.05411	3.3
281.04468	1.3
284.03253	10.7
285.04016	21.8
297.04025	61.7
298.04797	66.1
299.02234	2.2
299.05536	37.3
301.03473	4.1
309.04105	2.1
309.75534	1.0
311.05627	6.2
313.03580	1.3
324.02750	11.7
325.03519	31.3
325.07278	1.4
326.04333	10.6
327.05090	100.0
328.05621	2.1
330.03705	8.4
337.03546	7.4
339.05060	5.4
341.03003	1.1
343.04602	32.9
357.06155	4.4
393.05911	3.8
411.07153	20.7
429.08182	33.1
429.20956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68339	0.2
54.82185	0.2
59.01380	100.0
60.01702	0.3
61.78478	0.2
83.52829	0.2
84.75037	0.2
91.04004	1.5
104.33736	0.3
119.04967	0.3
156.32327	0.3
191.05589	0.6
275.20178	0.6
293.21283	2.8
347.46060	0.3
407.33130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.5
59.01385	78.1
65.00323	1.7
66.97161	1.1
67.01894	2.2
68.75519	1.1
71.01375	14.2
73.02940	3.1
73.54682	1.3
75.00925	1.2
75.54428	1.3
77.03960	1.5
79.01913	2.2
81.03473	2.2
83.01392	2.4
85.02939	9.8
87.00892	2.2
88.98824	7.6
89.02413	12.1
93.03435	12.5
96.96005	2.4
97.02969	2.0
99.00864	2.2
99.04469	1.2
101.02450	7.5
107.01394	2.2
109.02924	10.9
109.70676	1.3
113.02494	4.3
119.03523	1.5
121.02954	6.4
125.02436	6.2
133.02934	48.1
134.03719	7.0
135.00844	2.3
135.04507	7.7
135.08130	2.6
137.02425	2.6
146.03709	16.7
147.04488	1.9
149.02454	5.2
149.06120	2.1
151.00366	2.9
161.02391	10.0
161.04465	1.7
161.06029	2.6
163.00342	18.0
163.04005	8.9
164.01213	2.2
164.04774	8.6
165.01901	8.0
175.03970	10.6
176.95052	2.8
177.01901	3.3
179.03496	2.5
179.07129	21.1
184.69666	1.3
187.04179	1.7
189.05550	3.0
189.99103	2.8
191.03810	2.4
191.05615	32.0
199.04031	6.0
201.01961	6.1
208.03853	1.5
211.04036	5.5
213.05563	2.3
217.04991	3.2
218.05824	8.4
224.04724	1.8
225.05539	2.3
227.03482	1.9
233.08243	2.3
235.06053	2.7
241.05038	5.9
243.02972	1.7
249.07713	2.0
250.08403	2.5
251.09236	2.1
253.05019	7.0
255.02907	5.3
257.04553	2.0
267.15924	6.6
269.04449	6.9
284.03250	9.6
285.04025	32.6
297.04007	72.8
298.04807	69.7
298.08292	1.6
299.05536	38.1
301.03561	6.2
304.59778	1.4
309.04010	1.6
311.05637	8.0
311.95850	1.4
324.02722	8.6
325.03503	33.9
326.04239	12.5
327.05093	100.0
330.03836	5.9
337.03503	5.9
339.04944	4.9
343.04620	41.3
357.06192	3.1
369.19281	2.2
383.07669	2.1
393.06125	2.3
395.70297	1.5
411.07117	25.0
429.08301	32.9
429.13995	2.6
429.20938	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	427.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08813	0.7
54.81805	0.7
55.01882	4.7
57.03453	1.9
59.01375	34.7
60.99304	6.3
69.02900	0.8
71.01367	32.0
71.01744	1.2
73.02937	20.4
83.01377	8.8
85.02939	22.7
87.00858	1.8
88.98786	34.3
88.99296	1.5
89.02421	9.4
93.03436	1.0
95.01382	1.7
97.02968	1.1
99.00873	4.9
101.02419	41.2
113.02437	16.3
119.05034	0.9
125.02422	1.0
129.01895	1.1
131.03487	1.5
138.69562	0.8
143.07091	0.9
159.02974	1.4
161.04539	10.7
191.05647	5.9
198.18428	0.8
235.11855	49.3
271.82596	0.9
280.67291	0.9
340.92740	0.9
367.16058	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	427.197
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
54.81424	0.8
55.01863	0.6
59.01373	11.6
59.98518	0.8
60.42604	0.6
66.66245	0.5
68.78240	0.6
71.01387	4.3
73.02950	0.9
83.04991	1.1
85.02934	3.2
87.00831	0.8
89.02433	2.7
93.03450	1.4
99.04500	23.7
101.79426	0.7
113.02437	3.0
165.91745	0.8
189.55066	0.6
191.05551	2.7
192.36609	0.7
193.36140	0.7
203.14453	12.1
205.12325	0.8
221.13307	1.7
221.15474	49.5
247.13303	1.0
260.63397	0.7
265.14432	100.0
266.14825	1.5
307.15805	0.9
343.13010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15377	1.0
54.48853	0.9
54.77800	0.8
54.81900	1.5
59.01375	100.0
61.98830	1.4
65.21944	0.8
91.03991	1.6
119.04979	1.1
152.19386	1.0
191.05562	2.3
197.01822	1.0
293.21173	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	427.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41050	0.6
52.30128	0.6
52.97155	0.6
55.67537	0.6
56.49393	0.7
59.01384	1.6
59.23577	0.7
60.99305	19.7
62.84607	0.7
67.01902	1.3
68.61224	0.7
71.01382	1.2
79.80611	0.8
82.14906	0.9
85.02959	1.8
87.00872	1.9
88.98792	100.0
93.03433	11.1
93.03882	0.8
99.85849	0.8
109.03023	0.9
111.04519	1.5
119.05016	3.3
142.71971	0.8
163.03990	1.8
173.04547	8.2
191.05609	21.5
249.79820	0.9
270.39392	1.0
337.09335	1.4
418.10391	0.9
426.10464	0.8
427.11618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
60.99305	16.8
69.16535	0.7
71.01366	1.4
78.63692	0.8
78.73975	0.7
85.02972	1.9
87.00861	1.1
88.98789	100.0
93.03429	10.7
101.06087	1.3
104.10040	0.7
109.02953	1.2
111.04511	1.1
111.43520	0.8
119.05008	1.9
122.85793	0.8
135.04544	0.8
137.09174	0.7
140.03645	0.8
140.48424	0.7
163.03947	1.1
173.04530	9.7
175.02556	0.8
191.05595	23.9
192.05865	1.1
207.96780	0.8
336.16800	0.9
337.09406	3.2
367.15622	0.9
427.12097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95503	0.3
54.24686	0.4
57.13445	0.4
59.01380	1.7
60.99299	9.5
60.99594	0.5
67.01888	0.7
71.01360	0.6
75.33157	0.4
84.14309	0.3
85.02945	6.7
87.00880	2.0
88.98790	44.1
93.03443	6.6
96.96038	0.5
99.04457	0.5
101.02487	0.5
109.02966	0.7
111.04504	2.0
119.05018	6.5
127.04015	2.3
135.04503	1.7
145.02934	1.6
163.03983	2.3
173.04567	4.4
179.03479	0.8
191.05592	100.0
192.05942	2.1
220.47299	0.4
227.07156	0.8
263.21228	0.5
294.44479	0.4
315.69507	0.4
337.09305	17.1
345.09076	0.5
380.51807	0.4
427.11682	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	427.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71294	0.3
52.45647	0.4
55.01880	0.4
56.68290	0.3
56.87881	0.4
57.03461	0.4
59.01375	8.4
60.99301	17.3
71.01373	4.9
73.02930	2.5
83.01398	0.9
85.02931	4.4
87.00855	2.1
88.98787	100.0
92.10142	1.1
93.03437	5.1
94.25243	0.4
99.00881	1.0
101.02419	6.0
109.02917	0.9
111.04475	0.5
113.02416	2.1
117.77202	0.5
119.04993	0.4
128.06143	0.4
135.04472	0.6
149.06096	0.5
153.16698	0.4
161.02458	1.0
161.04533	2.9
173.04498	0.8
177.01822	0.5
178.77783	0.4
191.05605	8.7
192.05873	1.0
201.60693	0.4
215.49767	0.4
230.36429	0.4
235.11853	10.1
337.09344	0.4
367.15900	7.3
375.19510	0.4
426.60678	0.6
427.11240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01380	0.4
59.93356	0.2
71.01381	1.5
71.29588	0.2
72.99265	0.2
73.02950	0.2
78.95895	1.8
79.95731	1.2
84.83965	0.2
85.02934	0.3
87.00864	0.7
89.02470	0.2
89.85724	0.2
96.95994	100.0
101.02428	0.3
108.84548	0.2
109.78757	0.2
113.02451	0.4
114.36892	0.2
115.00333	0.2
116.92849	0.4
122.03717	9.1
123.04515	1.3
147.02954	0.4
161.04523	0.7
187.18468	0.2
191.05542	0.3
192.09021	0.2
264.82199	0.2
296.76721	0.2
329.08759	2.5
330.63052	0.2
345.74133	0.2
370.74356	0.2
432.08762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25436	1.5
57.03438	4.7
71.05012	64.4
75.78822	1.6
83.05025	2.5
85.06577	15.6
90.56602	1.9
97.06586	9.9
104.95290	2.0
143.12465	2.0
159.60030	1.8
275.02084	2.0
289.21725	3.2
307.20587	7.0
309.22256	3.0
321.21985	3.2
337.25461	29.8
353.28635	2.4
355.26425	3.6
373.27399	11.9
381.31598	12.6
385.27704	7.0
391.26556	3.2
413.30914	3.4
421.31155	7.8
423.33051	14.4
425.34259	100.0
426.34210	2.4
437.30676	4.4
439.32138	44.3
441.29834	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	427.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71294	0.3
52.45647	0.4
55.01880	0.4
56.68290	0.3
56.87881	0.4
57.03461	0.4
59.01375	8.4
60.99301	17.3
71.01373	4.9
73.02930	2.5
83.01398	0.9
85.02931	4.4
87.00855	2.1
88.98787	100.0
92.10142	1.1
93.03437	5.1
94.25243	0.4
99.00881	1.0
101.02419	6.0
109.02917	0.9
111.04475	0.5
113.02416	2.1
117.77202	0.5
119.04993	0.4
128.06143	0.4
135.04472	0.6
149.06096	0.5
153.16698	0.4
161.02458	1.0
161.04533	2.9
173.04498	0.8
177.01822	0.5
178.77783	0.4
191.05605	8.7
192.05873	1.0
201.60693	0.4
215.49767	0.4
230.36429	0.4
235.11853	10.1
337.09344	0.4
367.15900	7.3
375.19510	0.4
426.60678	0.6
427.11240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41272	0.5
55.01882	3.9
55.12637	0.5
57.03447	4.1
59.01375	100.0
70.01853	0.6
71.01369	37.3
73.02935	15.7
75.00859	1.4
81.66923	0.6
82.16222	0.6
83.01372	7.5
84.02154	0.7
85.02940	22.1
85.03416	1.1
87.00871	3.6
87.04509	2.9
88.98788	1.2
89.02422	4.5
93.03443	2.5
95.01360	2.3
96.95985	15.6
97.06555	0.8
99.00871	6.4
101.02422	29.3
109.02962	0.9
111.04484	1.0
113.02428	16.7
125.02414	0.9
131.03442	0.8
134.55272	0.6
143.03531	0.9
145.52676	0.6
149.06117	1.0
159.03014	3.9
161.04533	24.0
173.04524	0.8
187.78433	0.7
191.05574	8.8
192.48883	0.7
203.12926	6.6
205.03206	0.6
280.01501	0.6
365.18155	63.3
366.18481	0.9
426.10605	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	425.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03447	1.1
59.01379	100.0
67.01894	0.7
69.23897	0.7
71.01381	25.1
73.02941	6.5
78.95920	1.4
83.01396	3.8
85.02946	13.2
87.00887	3.6
88.98795	0.8
89.02430	6.5
93.03427	6.0
95.01386	1.4
96.95996	48.3
97.06618	1.0
99.00867	2.8
101.02431	17.2
104.48065	0.8
109.02944	3.1
113.02429	11.7
115.07651	0.8
124.62360	0.8
137.02411	0.8
140.37112	0.8
143.03505	0.9
161.04532	12.7
173.04453	1.3
191.05580	21.1
195.94493	0.8
203.12871	8.5
238.06227	0.7
242.08916	0.7
257.34433	0.8
297.07446	0.8
365.18124	44.7
426.10614	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14099	1.3
52.74806	1.4
55.01894	10.8
57.03462	7.6
58.00598	1.9
59.01085	3.0
59.01380	74.6
69.03440	1.8
71.00986	2.1
71.01376	63.5
71.71811	1.7
72.38954	1.3
73.02939	39.2
83.01384	20.0
85.02946	40.9
86.00116	2.3
87.00853	2.9
89.02436	12.0
92.10831	4.1
95.01357	5.7
97.02920	2.7
98.05386	1.4
99.00861	13.2
101.02427	74.1
101.77495	1.5
111.00857	2.8
113.02419	23.1
125.02430	3.1
127.11324	1.8
154.21992	1.5
161.04544	15.3
167.99763	1.5
191.05666	2.0
291.18115	88.0
292.54211	1.7
301.24365	1.7
423.22354	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19544	45.4
59.01373	100.0
59.41103	42.9
61.98821	65.5
63.95846	48.6
67.49586	48.5
67.67046	46.1
67.72952	42.2
71.73055	43.2
80.88549	54.2
87.88120	47.8
105.66200	49.5
116.92884	75.4
127.79066	59.3
138.90446	44.5
142.67604	56.1
145.16623	42.8
191.05661	70.2
199.53638	54.2
208.77231	57.6
240.18370	51.4
293.84158	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	80.0
65.19906	58.8
66.78937	61.9
72.17281	49.4
73.77518	51.3
76.88880	64.2
116.92853	100.0
125.83286	60.9
145.06915	86.5
178.45157	61.9
198.56119	60.7
211.92247	64.5
448.35327	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31614	15.6
59.01390	100.0
61.98814	41.8
62.88707	16.6
65.32072	17.9
71.01404	21.9
71.66819	20.7
73.89454	17.7
92.10139	42.1
93.03477	25.9
96.96086	17.7
121.02981	22.8
146.84941	17.1
191.05615	84.0
227.07193	44.0
245.83420	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	425.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52133	1.8
57.03456	2.6
59.01377	20.1
64.12346	1.6
71.01394	11.9
74.25546	1.5
83.01417	1.4
83.05040	2.4
85.02951	14.5
85.30256	1.8
87.00871	3.3
89.02457	2.1
93.03448	11.7
95.05025	1.7
97.02937	10.2
101.02419	3.1
101.71141	1.9
105.07079	2.6
107.05035	9.1
108.05834	6.6
109.02940	16.3
109.06586	3.2
111.04482	7.0
113.02444	10.7
113.06090	9.6
118.25713	1.5
119.05007	4.0
119.08640	6.4
121.06606	2.1
122.03687	9.6
123.04433	1.8
123.08158	6.4
125.06069	29.8
135.04521	8.8
135.08089	2.9
136.05293	15.3
137.06033	8.2
138.06848	21.0
139.07617	32.9
145.06558	2.4
148.05305	6.9
149.06030	3.3
151.07643	76.4
152.04774	7.8
152.08414	38.4
153.09241	12.2
159.11751	2.8
161.02483	2.2
161.09694	9.4
163.07677	13.4
167.07010	2.2
177.02068	1.9
185.09634	2.0
189.05542	6.7
189.09196	8.4
191.05620	31.7
201.12852	46.0
203.10785	23.6
204.11533	55.5
209.09526	1.6
219.13911	80.0
228.11415	4.9
243.13878	7.7
245.11739	20.6
263.12860	100.0
287.12851	17.2
305.13870	9.5
425.18015	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	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42571	4.2
56.62309	4.7
59.01384	56.7
71.01373	19.6
73.02950	5.8
75.00864	26.4
77.86916	4.9
78.95952	6.4
85.02940	12.2
87.00925	6.3
89.02426	7.5
101.02391	5.6
109.02945	6.1
111.46584	5.6
113.02423	7.2
113.09764	6.8
121.02874	4.9
171.34280	5.4
173.11821	33.1
191.05630	37.0
423.18445	100.0
424.18594	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	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39045	9.1
59.01381	100.0
62.51687	7.9
62.88042	8.9
70.12090	8.1
71.01378	17.7
73.02953	53.2
87.00876	14.8
89.02436	13.0
93.23938	9.4
98.25125	8.7
98.39039	10.0
111.08147	24.5
139.03966	16.0
173.08138	35.9
191.05563	16.6
243.12256	18.0
362.59015	13.0
423.15759	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46669	1.1
55.01875	7.5
57.03443	7.8
57.77400	1.2
58.00597	1.4
59.01375	100.0
71.01370	73.6
71.01748	3.2
72.99304	1.5
73.02917	16.0
76.10391	1.3
80.25618	1.4
80.52069	1.3
83.01359	16.0
85.02934	35.4
87.00867	9.3
89.02424	43.9
92.10811	5.5
95.01360	8.9
96.72601	1.4
99.00868	7.4
101.02425	52.8
109.37265	1.4
113.02431	31.0
115.80656	1.5
119.03452	12.1
125.02460	2.4
131.03470	7.7
143.03493	3.0
159.02919	1.9
161.04559	20.5
179.05594	24.2
191.05611	3.8
191.58694	1.6
221.06642	27.0
230.04338	1.6
230.13985	1.8
261.13397	2.7
263.07639	8.8
281.43274	1.8
423.18741	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34782	0.8
55.01882	8.6
57.03460	5.1
58.00605	1.8
59.01376	100.0
71.01369	86.5
72.41067	0.8
72.99315	3.8
73.02940	17.5
75.21223	0.8
81.82769	0.9
83.01376	14.5
83.01793	1.0
84.95110	8.8
85.02938	42.2
87.00872	7.9
89.02433	47.7
92.64467	0.8
95.01375	9.3
97.02962	1.0
99.00862	8.1
101.02426	55.7
113.02439	40.6
119.03479	15.4
122.53199	1.0
125.02434	1.3
129.02048	0.9
131.03481	7.3
137.85355	0.9
143.03484	4.0
157.59050	0.9
159.02979	3.8
161.04530	19.4
179.05597	18.4
191.05621	6.2
193.27571	1.0
221.06670	26.8
224.27850	1.0
261.13382	2.0
263.07693	9.8
324.93515	0.9
362.05493	1.0
381.44315	0.9
387.16818	1.2
399.44812	0.8
423.18729	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17062	0.1
59.01383	2.1
66.22438	0.2
71.01377	0.7
73.02902	0.2
78.95903	4.5
79.95728	2.1
85.02956	0.2
86.11602	0.1
87.00886	0.2
89.02428	0.7
93.03461	0.2
96.96001	100.0
96.96894	6.7
98.95592	0.2
101.02425	0.2
104.76124	0.1
116.92841	0.9
119.04980	0.9
129.01910	0.4
135.04520	0.6
139.04007	0.7
163.03920	0.3
165.09142	0.3
165.41779	0.2
191.05611	0.7
267.56879	0.2
309.08151	0.2
363.16635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12271	0.1
53.24360	0.1
59.01379	6.3
62.89259	0.1
66.64284	0.1
71.01370	2.4
73.02950	0.2
78.91865	0.4
78.95897	6.4
79.95723	1.6
83.01387	0.2
84.95110	1.8
85.02949	1.1
87.00851	0.2
87.04525	1.3
89.02417	1.6
93.03440	0.4
96.95998	100.0
96.96909	11.8
101.02418	0.9
103.47440	0.2
107.05000	0.2
109.02979	0.2
113.02444	0.9
119.03522	0.3
119.05022	0.3
125.06052	0.4
128.87022	0.2
139.11320	0.2
142.23592	0.2
161.04498	0.2
163.03964	0.2
165.09166	0.7
191.05591	1.4
201.11311	2.7
243.11627	0.2
291.14465	0.4
291.64203	0.2
328.95755	0.2
363.16589	1.6
423.18686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89323	0.2
57.28786	0.2
57.83736	0.2
59.01378	9.5
64.33002	0.2
69.35661	0.2
70.95734	0.2
71.01385	1.5
73.02962	0.2
78.95900	6.2
79.95733	2.5
81.88033	0.2
82.71104	0.2
85.02941	0.9
89.02430	1.4
96.95998	100.0
96.96897	7.3
98.95610	0.2
101.02415	0.8
109.02924	0.2
113.02431	0.4
116.92818	1.1
119.03460	0.3
119.04987	1.5
129.01962	0.3
135.04492	1.6
139.03970	0.2
161.12430	0.2
163.04022	0.3
179.03468	1.0
191.05612	0.5
309.08136	0.5
336.03754	0.3
337.86362	0.2
363.16583	1.3
384.74084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
58.00579	1.8
59.01375	86.2
62.15535	0.8
64.30313	0.8
66.51247	0.8
71.01372	32.2
71.05027	1.5
72.99300	2.0
73.02952	3.3
81.03404	0.8
83.01371	3.5
85.02946	9.6
87.00880	1.9
87.04494	1.9
89.02431	39.6
89.02957	1.7
92.10077	0.8
93.03399	1.2
95.01372	1.6
101.02425	22.6
113.02431	16.8
119.03472	18.1
120.99670	3.5
131.03465	1.1
139.04031	1.3
139.11290	0.8
143.03552	1.2
147.04439	1.4
147.06625	3.4
151.89384	0.9
163.03967	1.3
175.03983	1.4
179.05499	2.7
181.08704	1.4
191.03981	0.9
191.05496	6.9
199.13231	0.9
201.11333	3.3
219.02939	3.7
225.07657	1.0
243.12364	1.7
273.13290	0.8
309.11908	100.0
423.14609	6.8
449.30499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71744	2.1
59.01382	100.0
59.09514	1.7
67.12703	2.4
69.53985	2.1
71.01394	9.7
73.02966	3.0
75.00857	2.7
82.57019	2.2
85.02970	5.3
87.00877	1.9
89.02455	3.0
93.03428	2.7
96.46525	2.0
101.02394	3.9
109.30859	2.2
113.02396	2.2
123.04617	2.5
144.85478	2.2
177.03999	2.7
180.66779	2.4
188.63327	2.1
191.05643	5.1
214.43173	2.4
243.12206	2.4
246.00485	2.4
332.52667	2.4
361.18781	2.6
384.14838	2.4
421.16483	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13462	0.3
53.53845	0.3
57.03451	2.7
58.02972	2.9
59.01374	10.5
63.30764	0.3
66.25704	0.3
70.02972	10.5
71.01370	3.8
71.05008	17.7
72.00925	0.5
72.27093	0.4
81.32604	0.3
82.95413	0.4
85.02957	1.8
87.00905	0.5
87.05623	6.6
89.02438	2.5
93.03469	0.6
94.83471	0.4
94.84038	0.4
95.30467	0.3
96.95986	0.9
99.04498	6.2
101.02431	2.3
113.02441	2.4
115.05127	2.5
116.07150	3.9
119.03497	0.8
127.04005	4.0
129.05588	1.5
130.03305	9.8
143.92354	0.5
146.08218	100.0
146.52966	0.4
147.05957	4.1
158.67558	0.4
175.00342	0.5
179.05583	2.0
190.02698	3.2
191.05589	1.9
196.30852	0.4
205.05066	3.2
216.74222	0.4
217.11923	21.8
221.43547	0.4
223.06140	0.5
277.12262	81.4
278.12543	0.7
283.35785	0.3
284.83432	0.4
319.13327	0.4
385.11609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93859	0.8
55.01884	1.6
57.03450	0.8
57.75829	0.8
59.01374	58.8
62.13304	0.8
68.05204	0.8
71.01372	21.1
72.99304	1.4
73.02932	51.4
76.83180	0.8
80.91655	1.2
82.95402	100.0
83.01369	1.4
85.02943	7.0
89.02422	20.8
95.01371	1.9
96.39647	0.9
101.02412	10.7
105.07086	3.9
107.05019	2.3
113.02444	8.0
119.03474	6.6
121.06600	0.9
123.08135	22.2
124.56041	0.9
127.03980	1.0
167.07117	84.5
179.10765	1.7
191.05627	1.8
197.11853	7.8
219.82166	1.0
241.10805	46.7
307.10342	7.5
313.45840	1.0
347.13373	3.7
421.11435	2.3
421.17133	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55574	21.1
58.39818	22.9
59.01384	61.9
60.01763	31.6
61.98808	31.8
63.90515	21.3
64.33660	27.1
82.38457	22.7
121.02930	24.0
154.24944	23.9
189.54149	27.3
191.05609	100.0
211.86328	27.5
436.19669	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	421.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
57.92921	0.1
59.01374	2.9
59.03791	0.1
60.45489	0.1
71.01376	1.2
74.36932	0.1
78.95895	1.9
79.95722	1.3
80.51134	0.1
85.02940	0.2
89.02425	2.8
92.10126	0.1
96.95993	100.0
96.96986	3.1
99.04504	0.8
100.17147	0.1
101.02441	0.9
110.61927	0.1
113.02458	1.1
114.18920	0.1
119.03502	0.8
125.02417	0.7
136.40176	0.1
142.77660	0.1
143.03484	0.3
161.04547	1.1
179.05551	1.3
250.74785	0.1
259.01215	0.2
263.07831	0.2
315.26337	0.2
323.09869	1.4
323.13196	0.2
386.49957	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	421.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50925	0.5
57.03457	2.1
59.01384	12.7
71.01377	35.2
72.99306	13.0
73.61924	0.5
74.04208	0.5
74.99094	2.0
77.73117	0.5
78.95905	2.9
79.95744	0.9
83.96745	0.5
85.02948	1.2
87.00864	17.9
89.02433	7.1
96.95995	100.0
96.96986	2.8
98.95542	0.9
101.02431	1.3
109.02949	0.9
113.02411	2.3
115.00351	8.6
116.92794	0.6
117.03508	0.7
119.03481	3.7
129.01898	2.8
133.01465	0.8
136.99091	1.0
137.02435	0.8
143.03442	0.7
145.02928	5.6
147.02982	22.4
147.06660	0.8
161.02434	4.3
162.03238	4.7
166.02669	0.8
177.05540	2.3
179.05579	2.9
180.04266	0.6
183.02924	3.3
191.05698	0.5
194.38029	0.5
195.06650	1.2
198.05307	3.4
199.06035	0.9
284.06122	0.5
323.13303	1.0
357.11722	0.6
375.12534	0.7
376.98227	0.6
405.41531	0.7
421.07339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0983
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
57.03448	0.3
57.34299	0.2
59.01379	6.0
60.01696	0.3
71.01369	1.6
73.02964	0.4
81.03448	0.5
85.02955	1.2
93.03450	1.9
93.03998	0.3
95.01385	0.4
101.02415	1.3
108.02165	100.0
109.02953	15.2
113.02438	0.7
121.02952	3.6
123.04537	0.5
133.02934	0.6
135.04507	1.0
137.02405	1.4
145.02953	0.6
147.04521	1.2
151.04033	2.9
151.05101	0.3
152.01141	46.7
153.01924	12.2
155.10768	0.5
163.03983	1.8
163.21101	0.3
166.24017	0.3
169.28096	0.3
174.03169	0.7
175.03969	3.5
176.04781	1.3
177.05650	0.3
180.04276	1.1
188.04796	0.7
189.05585	0.5
190.06349	3.7
191.04036	0.3
191.05563	2.3
191.07150	2.6
193.04990	1.6
194.05798	0.6
203.07042	0.4
205.08704	1.9
207.06622	1.1
208.07336	1.5
240.89395	0.3
269.10339	0.4
389.16101	9.1
419.09814	39.9
420.10269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
52.70270	0.2
53.37394	0.2
59.01383	6.3
60.73389	0.2
68.83369	0.2
71.01376	1.3
81.03448	0.6
85.02953	1.1
89.02451	0.4
91.01921	0.3
92.10198	0.6
93.03419	0.3
101.02455	0.3
107.80101	0.3
108.02167	12.6
109.02941	100.0
110.03286	0.4
113.02434	0.3
121.02937	8.0
123.00883	2.4
123.04501	0.4
135.04504	0.7
151.03955	0.6
152.01138	13.5
153.01920	55.4
156.63841	0.3
191.05637	2.1
192.05875	0.3
227.48125	0.3
297.06082	1.3
329.05682	0.7
359.06738	1.3
419.09818	44.9
420.10318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1345
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01888	0.5
55.53826	0.2
57.03451	0.4
58.00592	0.2
59.01386	1.7
65.03969	0.7
67.01884	0.3
71.01361	4.1
73.02959	1.2
80.33861	0.2
81.03447	0.6
82.10764	0.3
83.01377	0.6
83.05026	1.1
83.70080	0.3
85.02922	2.3
86.43945	0.3
92.10796	0.4
93.03441	7.6
95.01401	0.5
95.05016	1.2
96.74508	0.3
99.00851	0.3
101.02425	2.0
106.03489	0.6
106.04229	24.7
107.05011	44.7
108.02174	4.4
109.02979	1.2
111.04529	0.5
113.02461	1.6
121.02942	8.2
138.03235	1.5
161.04555	0.4
171.08115	0.3
191.05626	0.6
213.09212	100.0
214.09581	1.5
257.08185	62.3
258.08511	0.6
419.13641	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
51.15961	0.5
55.01891	0.6
59.01384	13.7
63.20368	0.5
71.01386	5.5
73.02959	1.3
81.03464	0.7
83.05025	0.7
85.02957	4.0
87.00890	0.6
89.02444	1.4
93.03449	8.8
95.01374	0.9
95.05064	0.6
96.17805	0.6
101.02445	4.3
106.04240	22.2
106.04970	0.8
107.05021	41.5
108.02179	3.9
109.02948	2.9
109.66770	0.6
113.02436	2.4
119.05011	3.9
121.02917	5.6
123.04494	1.3
138.03223	1.4
153.05534	0.7
171.08080	0.9
177.01825	0.9
182.02162	0.6
191.05582	4.6
197.91505	0.5
203.89732	0.7
211.07623	19.3
213.09209	100.0
214.09566	0.9
255.10516	0.6
257.08157	10.0
270.73441	0.6
366.86621	0.6
419.13495	98.6
420.13940	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	418.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91993	0.7
57.03453	1.3
58.48046	0.7
59.01365	8.0
60.99299	1.7
61.98826	11.4
62.31625	0.7
67.01883	8.1
69.03445	1.3
71.01373	4.9
78.95889	2.0
83.05029	1.2
85.02927	5.5
87.00864	7.9
93.03434	48.2
96.95979	21.0
98.95584	14.6
98.96420	1.8
99.00872	1.3
111.04494	10.9
119.05010	1.7
121.02931	41.1
127.04012	1.2
129.01938	1.1
137.02429	3.5
146.00951	0.8
155.03555	1.5
164.73358	0.9
173.02234	1.0
173.04514	60.7
181.05063	12.8
191.05595	100.0
203.67601	0.8
229.56958	0.9
233.06664	3.1
337.09369	1.5
340.54599	0.8
355.10324	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66502	4.1
59.01378	19.2
61.98819	4.5
65.56580	4.0
69.91046	3.5
70.29798	3.9
71.01377	5.7
88.98791	25.4
96.95997	100.0
96.96948	6.9
99.00877	6.2
112.98797	21.0
135.04576	4.5
142.99907	4.8
173.00844	6.2
179.07147	8.4
191.05579	25.1
216.29489	4.0
299.23444	4.0
342.30334	4.9
391.73865	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	419.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	29.8
59.94811	1.7
71.01385	13.8
72.99315	13.5
73.02940	2.6
74.99078	2.5
84.44774	1.7
85.02941	4.8
89.02428	2.8
93.03470	10.3
96.19581	2.0
96.95975	4.7
99.00871	3.4
101.02431	4.3
102.49445	2.3
109.02976	4.8
110.03302	2.0
111.96152	2.2
112.98798	32.0
113.02393	3.7
113.99589	24.4
115.00368	11.8
123.04507	4.3
133.01424	9.3
135.04538	2.1
141.99059	10.7
142.99858	2.7
143.71057	2.3
151.04042	2.4
153.05463	2.4
161.02444	21.9
169.03345	3.3
172.00113	13.0
173.04494	4.0
176.04756	25.6
177.01955	3.2
179.03493	27.0
191.05609	21.4
191.07079	5.3
192.04210	2.7
194.05814	58.8
205.05080	3.0
209.08194	100.0
229.01454	2.9
242.29715	2.4
279.08740	9.8
323.07681	96.9
325.05896	2.8
339.05441	2.9
339.10794	4.9
353.08667	4.1
383.09854	35.6
401.08902	3.3
419.09851	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.8
57.03447	4.2
58.00576	0.8
59.01376	100.0
71.01371	60.6
72.99287	1.2
73.02926	12.0
83.01385	6.6
85.02940	23.3
86.79893	0.9
87.00876	3.6
87.04511	1.1
89.02429	49.6
95.01389	6.9
99.00874	4.0
101.02425	43.2
113.02438	23.4
114.51598	1.0
119.03490	18.1
131.03458	1.5
133.01833	1.0
133.02879	1.0
133.95842	0.9
137.09691	0.9
143.03452	3.8
148.14447	1.2
149.04462	1.6
159.02953	1.3
161.04517	13.4
178.29918	1.1
179.05615	7.0
191.05606	1.1
255.19618	3.9
327.04807	1.3
354.48105	1.0
417.19763	1.8
417.24957	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71953	0.3
52.05396	0.2
52.83070	0.3
58.57893	0.2
59.01393	1.2
61.98825	100.0
64.54820	0.3
67.01879	0.3
71.23544	0.3
85.02939	1.3
87.00842	0.4
93.03461	2.4
96.96001	0.7
111.04533	0.3
115.25664	0.3
160.01619	0.4
173.04539	1.2
175.04031	0.3
191.05606	6.7
192.05832	0.5
288.04904	0.3
324.55939	0.3
418.10880	0.4
418.60812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47377	0.9
52.47435	0.8
55.01876	8.0
57.03444	6.7
58.00591	1.9
59.01376	100.0
67.01884	0.9
67.81619	0.8
71.01371	79.5
72.99313	0.9
73.02932	19.3
75.00864	4.8
79.56120	0.8
83.01379	11.2
84.02160	1.3
85.02940	39.7
87.00863	3.6
87.93901	0.8
89.02427	18.6
93.03498	1.0
95.01393	8.3
99.00870	8.1
101.02428	42.3
105.86703	0.9
109.02957	1.1
111.00896	1.4
113.02435	30.3
119.03509	7.4
129.01968	1.3
133.02942	4.8
143.03493	1.6
154.26559	0.9
159.02960	5.3
159.04471	1.5
161.04523	25.2
175.04100	1.1
179.05611	1.5
191.05609	10.0
192.05870	1.1
195.43124	1.0
222.87936	1.0
239.35260	0.9
258.90292	1.0
271.25092	0.9
284.03351	1.0
285.03940	1.6
297.04086	2.0
298.04770	1.3
327.05075	8.7
331.17606	4.1
339.05219	1.3
357.06268	6.7
417.08334	5.2
417.16592	1.7
417.25421	21.5
418.08743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
59.01379	91.1
59.01673	3.4
71.01376	21.4
73.02941	9.4
85.02947	12.6
87.00846	2.7
89.02438	10.1
93.03450	13.7
101.02441	14.3
107.04226	2.1
109.02945	92.9
110.03277	2.3
113.02445	13.0
119.05029	3.0
121.02898	3.3
125.02466	4.0
133.02940	22.1
135.04503	10.7
137.02365	2.6
146.03752	2.3
147.04532	43.8
149.02412	3.0
159.03232	4.3
159.04517	100.0
161.02432	3.7
161.04517	3.9
165.05486	3.2
165.76500	2.4
174.03174	2.6
175.04057	7.6
177.01810	4.5
191.05586	53.2
192.05923	5.1
225.05441	2.3
267.06650	2.8
269.08163	44.0
284.03296	3.6
285.03992	11.3
297.04041	23.5
298.04785	12.7
299.05551	13.4
311.05637	2.6
327.05087	46.9
339.04974	8.1
357.06140	33.1
398.05011	2.2
399.07080	2.6
417.08212	29.7
417.20642	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	417.2493
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01884	10.5
56.93060	1.2
57.03450	6.1
58.00600	2.6
59.01376	100.0
64.18314	1.0
71.01369	75.6
71.98753	1.0
72.99272	1.4
73.02937	16.4
75.00886	1.3
76.13487	1.0
80.42766	1.1
83.01375	9.9
85.02946	35.9
87.00880	4.8
89.02428	42.1
95.01391	7.5
95.55552	1.2
99.00882	9.2
101.02431	58.9
101.03117	1.9
112.01803	1.1
113.02444	29.4
119.03500	12.3
120.05244	1.1
125.02409	1.5
135.04509	1.4
143.03442	4.7
143.55273	1.1
159.03003	2.1
161.04541	29.0
179.05598	5.8
191.05588	1.6
239.63998	1.1
255.19586	2.0
297.45215	1.2
307.36465	1.2
311.26358	1.2
327.04996	1.8
357.06271	1.7
378.71542	1.3
417.24899	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05645	0.6
55.01885	11.6
55.39991	0.6
57.03456	7.1
58.00611	1.7
59.01384	100.0
65.68835	0.8
71.01379	96.2
72.99310	3.3
73.02941	21.7
73.03333	1.4
83.01384	11.5
85.02946	46.2
87.00890	3.9
87.04518	1.1
89.02436	37.0
89.02959	1.5
95.01381	8.6
97.02954	1.2
99.00865	8.3
101.02424	55.9
112.91833	0.7
113.02435	34.2
119.03492	12.9
122.21710	0.7
125.02386	1.2
129.01959	1.5
131.03412	0.9
133.02902	0.8
143.03503	4.2
153.84352	0.8
156.58623	0.7
159.02977	4.2
159.47031	0.8
161.04536	30.8
179.05618	4.4
191.05606	5.3
255.19586	0.9
285.04016	1.0
299.05560	1.1
313.06284	0.7
327.05075	4.3
341.45810	0.8
354.14648	0.7
357.06244	1.4
417.08292	0.8
417.24988	52.1
418.25223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56327	0.7
55.01880	3.3
57.03443	1.9
58.00592	0.7
59.01374	100.0
61.98811	0.8
62.30553	0.7
65.58448	0.6
69.03433	1.0
71.01371	30.4
71.82917	0.7
72.99332	0.8
73.02917	9.3
83.01395	3.9
85.02937	22.6
87.00873	5.3
89.02435	7.9
93.03453	6.2
95.01367	4.6
95.04994	0.9
96.95988	87.0
97.02934	3.7
99.00874	4.4
99.04594	0.8
101.02419	19.4
109.02942	3.2
111.04513	0.8
111.08128	1.7
113.02425	12.4
119.03468	1.6
119.04966	1.0
120.29673	0.8
121.02946	14.0
133.02931	8.9
135.04492	4.6
137.02338	1.6
137.06084	1.1
139.03984	3.9
139.07642	22.8
143.03377	1.2
153.01831	1.0
159.02917	3.0
161.02448	2.9
161.04524	26.0
165.01868	0.9
173.04517	1.3
175.04079	1.3
180.07863	1.0
183.02902	4.0
191.05597	34.2
192.05928	4.5
195.10233	5.5
222.67422	0.8
237.11324	0.9
253.04950	0.9
284.03299	0.9
285.04028	1.9
297.03976	8.9
298.04797	5.1
299.05542	4.4
311.05450	1.6
327.05164	12.1
339.04855	1.5
357.06155	11.8
357.15579	17.9
417.08084	8.9
417.17310	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28538	1.5
58.98097	1.4
59.01380	59.6
69.71859	1.6
71.01384	16.8
73.02955	6.4
83.01395	3.0
84.01027	1.6
84.14606	1.3
85.02966	11.3
87.00890	1.8
89.02445	6.9
92.10044	1.6
93.03457	8.3
97.41151	1.5
99.00874	1.8
101.02452	9.6
108.02137	1.6
109.02948	86.5
113.02448	6.4
119.05014	2.4
121.02924	6.9
123.04468	2.7
129.03488	2.9
131.05011	2.3
133.02922	24.6
134.03738	2.5
135.04500	9.4
137.02486	5.2
145.02921	2.0
146.03670	3.0
147.04517	33.8
148.41223	1.5
158.03658	3.4
159.04500	100.0
161.02484	3.6
163.00392	3.6
163.03957	3.2
165.01990	2.3
174.03148	1.7
175.03992	9.3
176.04825	2.2
177.01897	3.4
191.05612	37.5
192.05962	6.1
252.07843	2.6
255.03140	1.8
268.04367	1.6
269.08167	39.7
284.03192	9.4
285.04004	13.0
297.04059	22.5
298.04840	16.5
298.52341	1.7
299.05573	14.7
311.05637	3.4
324.02646	2.2
327.05106	48.3
338.04755	2.0
339.05042	3.3
356.67578	1.5
357.06183	35.8
369.05896	2.7
399.07220	3.0
417.08145	29.9
417.20825	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81918	0.9
55.01875	2.4
57.03449	6.9
58.00583	1.4
58.82079	1.0
59.01373	75.7
67.74580	0.9
68.99827	1.4
69.03446	1.3
69.16068	1.1
71.01369	27.5
72.99300	8.4
72.99682	1.0
73.02944	2.0
75.00854	29.6
76.07216	1.1
82.47981	1.0
83.01369	1.1
84.02168	1.3
85.02940	32.4
87.00853	10.1
89.02458	9.3
92.03290	1.1
95.01370	8.6
99.00848	15.1
101.02437	1.2
103.00373	2.0
113.02437	24.6
115.00347	2.0
117.01896	2.5
121.02917	1.8
133.02936	4.7
145.02893	1.2
149.09685	1.6
151.00378	1.3
167.10754	83.6
175.02519	1.3
177.01860	1.5
191.05516	4.7
192.23669	1.1
231.05023	2.5
249.06148	34.5
267.07047	4.4
283.02448	1.2
284.03256	1.8
285.04062	1.5
297.03995	4.3
297.66559	1.1
298.04849	2.2
299.05536	2.3
327.05185	10.3
357.06265	5.2
399.16849	2.3
417.07782	8.4
417.17667	100.0
418.18106	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24259	0.6
59.01368	1.3
69.03456	4.7
71.01373	1.0
73.02937	4.0
78.91880	1.1
81.03442	1.4
83.01385	1.1
85.02956	4.4
87.00868	1.3
93.03435	1.9
95.01363	1.6
97.02930	3.6
103.04017	4.0
107.01407	0.9
109.02913	1.2
123.00882	10.8
124.01647	47.1
125.02428	76.5
137.02380	1.6
149.99583	51.2
150.34467	0.7
151.00299	1.2
167.03491	1.6
168.00627	85.8
169.01434	8.1
173.04564	0.8
187.87411	0.8
189.19516	0.7
191.04028	1.2
191.05588	25.0
192.05940	11.8
207.12605	0.8
213.49579	0.9
233.14224	0.8
239.39438	0.8
309.13803	1.0
313.05771	1.8
354.08954	1.4
399.09277	0.9
417.10373	100.0
418.10828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22785	0.4
55.01880	1.2
56.17821	0.5
57.03440	0.6
58.00596	0.9
59.01375	100.0
61.98843	0.8
64.33245	0.5
71.01371	24.6
72.63018	0.5
72.99322	0.8
73.02927	4.0
83.01387	2.5
83.05013	0.6
85.02940	11.9
87.00828	4.1
89.02428	20.1
92.10098	2.3
93.03465	5.2
95.01365	2.5
97.02928	0.8
99.00892	1.1
101.02425	16.3
109.02920	3.3
111.04529	0.7
113.02435	9.6
119.03496	7.3
131.03473	0.7
135.04413	0.7
143.03467	2.2
147.04494	0.6
159.04404	0.7
161.02417	0.8
161.04561	11.7
173.04491	1.3
177.09207	5.3
179.03273	0.7
179.05563	2.9
191.04298	0.9
191.05595	23.2
192.06023	4.3
195.10188	0.7
211.23317	0.6
221.98265	0.5
226.75621	0.5
243.12166	0.6
251.08449	0.5
265.10248	0.5
327.05109	1.2
357.15506	21.0
416.17398	0.7
417.17758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74404	0.6
54.81646	0.6
56.07934	0.7
59.01369	4.3
65.00323	0.9
75.28420	0.7
77.03928	0.9
78.48971	0.8
79.01875	1.1
83.01372	1.0
84.26721	0.9
85.02932	0.9
86.04211	0.7
88.84921	0.7
89.78726	0.8
93.03432	1.6
94.67020	0.7
102.72517	0.7
105.03416	0.9
107.01378	1.8
109.02926	4.3
119.05015	1.7
121.02936	3.5
125.02396	1.3
133.02936	36.4
134.03633	1.2
135.00883	0.9
135.04494	4.7
137.02419	1.2
139.08653	0.8
147.04539	1.0
149.02449	3.5
151.00272	0.9
151.03993	1.0
161.02432	5.0
163.00375	9.7
163.03969	5.7
165.01888	4.0
173.02480	0.8
175.03918	5.9
177.01907	3.9
177.05739	1.0
177.42958	0.8
179.03403	1.0
187.36713	0.9
191.03525	1.5
191.05585	5.4
193.01382	3.3
199.03999	2.9
201.01891	3.6
203.03506	1.3
211.03979	1.2
225.05533	1.4
226.02698	0.8
227.03435	3.9
229.04953	1.1
240.04308	1.2
241.05023	1.1
243.03001	1.2
253.05084	3.0
255.02820	1.8
267.06647	0.9
269.04553	1.8
284.03271	13.3
285.03983	17.5
297.04004	36.6
298.04803	21.9
299.05579	28.1
311.05563	7.7
324.02679	1.1
327.05084	100.0
328.05377	1.7
339.05292	5.8
341.06671	1.3
357.06168	50.3
369.06116	1.5
381.06030	5.7
385.27695	0.8
417.08258	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	417.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.3
59.09208	0.8
65.00304	1.1
67.12590	1.0
71.01408	1.5
79.01885	1.4
82.91740	1.0
83.01385	1.6
92.10812	3.1
93.03459	1.0
96.96001	2.4
107.01395	1.4
109.02932	6.2
111.04596	1.0
116.62505	1.1
119.04987	1.3
121.02946	4.9
125.02435	1.6
133.02928	47.7
134.03726	2.4
135.00786	1.1
135.04491	2.4
135.19691	1.2
136.01558	1.1
138.72334	1.0
147.04486	2.0
149.02406	4.3
151.00349	4.0
151.03952	1.2
152.25365	1.0
161.02411	9.3
163.00346	8.2
163.03987	5.5
165.01866	4.1
175.03976	10.9
177.01845	4.7
179.03552	1.3
191.03535	2.3
191.05586	6.5
192.05942	1.2
197.06065	1.2
199.03981	5.1
201.01947	2.4
211.04071	1.2
211.87395	1.2
213.05479	1.3
217.05061	1.5
224.04849	1.4
225.05550	5.6
227.03464	4.0
228.04141	1.2
229.01427	1.2
229.04980	1.4
241.04973	1.3
253.04984	4.5
255.02937	1.4
269.04556	5.3
284.00665	1.4
284.03290	18.8
285.04031	36.5
297.04031	70.9
298.04791	50.5
298.07330	0.9
299.05597	28.3
309.04074	2.1
311.05585	15.9
324.02661	5.2
325.03598	1.5
327.05078	100.0
339.01407	1.4
339.05127	18.0
341.06497	2.2
357.06158	90.8
369.06223	2.2
381.05756	2.0
399.07156	16.8
417.08258	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91496	0.6
75.75758	0.6
77.03996	0.8
89.70815	0.6
93.03453	0.8
94.76531	0.7
109.02949	4.4
119.05044	1.2
121.02950	3.5
125.02457	2.9
133.02943	27.2
134.03714	1.1
135.04489	3.5
147.04500	2.7
149.02428	1.5
151.00377	1.3
151.04015	0.7
160.79089	0.7
160.80432	0.8
161.02409	3.5
163.00354	3.6
163.04002	5.8
165.01892	1.0
175.03960	5.1
177.01955	1.2
189.05743	0.8
191.03439	0.9
193.01358	3.2
199.03989	1.6
201.01903	1.1
211.03958	0.8
212.04912	0.8
225.05556	1.4
227.03572	0.8
227.07190	1.0
240.04199	1.3
241.05203	1.2
253.05084	1.4
255.06441	0.9
256.03903	0.9
269.04556	1.6
284.03232	13.2
285.04089	10.5
297.04041	21.9
298.04803	13.0
298.07922	1.0
299.05621	24.5
300.44775	0.8
311.05630	4.3
324.02783	1.2
327.05099	100.0
328.05502	1.7
339.05112	6.3
341.06265	1.0
356.01981	0.7
357.06161	20.1
381.06119	1.4
417.08316	36.7
418.08386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	37.7
60.61674	1.0
65.00311	1.3
67.11534	1.0
71.01382	14.9
79.01893	1.5
83.01389	1.5
85.02972	2.1
89.02446	16.3
90.58979	0.9
93.03488	1.4
95.01398	1.4
95.71728	1.1
97.02968	1.4
99.04511	4.4
101.02425	7.4
107.01395	1.4
109.02946	5.6
111.04521	1.2
113.02453	2.3
119.03458	6.3
121.02942	5.7
122.98681	1.1
125.02416	2.1
133.02937	48.8
134.03696	5.8
135.04509	5.0
147.04428	2.2
149.02423	2.3
151.00343	2.6
153.05466	1.3
161.02461	9.4
163.00348	9.5
163.03967	4.3
165.01889	6.2
173.02420	1.4
175.04005	11.4
177.01927	5.3
179.05667	1.3
191.03563	1.9
191.05603	6.4
193.01404	2.1
199.03996	5.1
199.07855	1.2
201.01906	4.3
211.04071	1.3
213.05573	1.8
217.04919	1.1
225.05502	5.4
227.03380	2.0
229.01320	1.3
237.14937	15.9
240.04192	1.2
241.05035	4.8
253.05186	1.7
255.02908	1.5
269.04648	5.8
270.05273	1.5
284.03262	16.6
285.04050	37.1
297.04034	56.4
298.04794	44.5
299.05594	26.6
309.04013	2.1
311.05643	13.6
324.02670	4.2
327.05084	100.0
339.05200	16.0
341.06619	1.9
357.06155	90.9
363.05338	1.2
369.05957	1.8
381.06039	3.9
399.07309	12.2
417.08252	92.3
437.15042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46978	0.5
62.03267	0.5
68.98517	0.5
69.60526	0.6
77.03958	1.0
79.01884	0.7
83.01369	1.0
89.95616	0.6
93.03456	2.2
94.67694	0.5
95.01367	0.6
97.02937	1.3
97.71108	0.7
105.03472	1.0
107.01392	1.2
109.02981	3.9
117.03471	0.7
119.05003	0.8
121.02907	4.4
125.02410	2.4
132.02200	0.7
133.02925	47.6
134.03699	3.9
135.00880	2.4
135.04523	4.6
137.02419	1.1
145.02975	0.9
145.37148	0.6
147.04472	2.3
149.02423	3.5
151.00354	3.5
161.02451	7.0
163.00337	11.0
163.04008	5.2
164.01091	0.9
165.01898	3.4
174.03120	0.7
175.03990	10.2
177.01901	3.8
179.03404	0.8
185.02412	1.0
191.03464	2.9
191.05495	1.2
193.01419	1.4
199.03964	4.0
200.29410	0.6
201.01939	4.6
203.03441	2.4
211.03955	2.1
212.04739	0.7
213.05608	2.8
217.05064	0.8
224.04692	1.0
225.05556	3.2
225.42448	0.6
226.02605	0.7
227.03461	1.3
237.05489	0.7
240.04236	2.1
241.05000	4.0
242.02127	0.9
251.03505	0.7
253.05057	4.4
255.02917	4.6
255.06717	1.3
256.03717	0.7
267.06662	0.8
269.04477	5.2
270.05304	1.0
280.00949	0.5
281.04675	0.7
284.03226	19.3
285.04022	36.3
297.04022	65.0
298.04791	50.9
299.05597	24.3
309.03983	2.6
311.05542	16.7
316.73712	0.7
324.02689	3.9
325.03369	2.4
325.06946	1.2
327.05078	92.2
328.05463	0.9
339.05078	15.8
341.06760	3.5
353.06604	1.3
357.06158	98.8
358.06720	2.3
363.05072	0.8
369.06140	2.5
381.06311	4.6
399.07254	17.1
417.08264	100.0
418.08411	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	417.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07044	0.2
51.84971	0.2
59.01374	1.7
65.00328	1.7
72.51134	0.3
73.32184	0.2
75.16389	0.3
77.03970	1.4
79.01909	1.4
81.03459	0.4
82.63539	0.2
83.01395	1.4
84.87917	0.2
85.02942	0.7
88.18577	0.2
88.45190	0.2
93.03467	1.8
95.01394	1.4
95.05017	0.4
97.02947	1.8
98.87305	0.3
105.03470	1.3
107.01398	2.4
108.02179	0.5
109.02937	6.0
111.00935	0.3
117.03474	0.6
119.01299	0.3
119.05005	1.5
119.57132	0.3
121.02929	5.0
123.00868	1.2
123.04509	0.4
125.02414	2.6
126.07132	0.3
132.02161	0.7
133.02934	47.0
134.03754	4.1
135.00879	1.8
135.04503	4.2
136.01653	1.1
137.02440	2.1
139.10971	0.3
145.02913	1.3
147.04552	2.5
148.01701	0.6
149.02422	4.7
151.00371	3.7
151.03973	1.6
155.03468	0.3
157.02948	0.4
159.04492	0.7
161.02448	8.3
162.03252	0.5
163.00346	12.6
163.03986	6.2
164.01079	1.1
165.01910	4.5
169.06537	0.4
171.04532	0.4
173.02411	1.1
174.03156	0.5
175.03984	11.5
177.01904	3.5
179.03502	2.0
185.02357	0.5
185.06088	0.6
187.03975	0.7
189.01875	0.5
189.05569	0.5
189.99092	1.3
191.03522	2.4
191.05602	4.1
193.01433	2.4
197.06071	1.3
198.03235	1.3
199.03999	4.7
199.07629	0.5
201.01927	5.2
201.05602	0.6
203.03566	3.1
205.01439	0.5
209.05910	0.5
211.04056	2.9
212.04781	0.5
213.05586	3.0
215.03525	0.6
217.05098	0.7
221.04347	0.6
224.04735	1.2
225.05562	5.8
226.02806	0.5
227.03500	3.7
229.01381	1.8
229.05089	1.9
237.05638	0.7
238.06314	0.3
239.03503	0.6
240.04266	1.8
241.05128	4.3
243.02954	1.1
243.06664	0.4
251.03436	1.1
253.05038	4.9
254.05774	0.6
255.03038	3.9
255.06610	1.4
256.03772	1.4
257.04675	0.5
265.05258	0.4
267.03040	0.5
267.06625	1.4
269.04541	7.0
270.05280	2.1
271.06061	0.7
279.02905	0.4
281.04431	0.6
282.05164	0.4
283.05951	0.4
284.03250	19.7
285.04041	39.5
286.04327	0.5
297.04034	69.0
298.04810	50.3
299.05591	27.2
300.05807	0.3
309.03958	2.3
311.05612	16.7
324.02750	5.7
325.03415	2.1
325.06943	0.7
327.05096	100.0
328.05450	1.8
330.03806	0.4
335.05966	0.4
337.03815	0.6
339.00967	0.6
339.05118	17.0
341.06592	3.9
350.03802	0.3
351.05103	0.5
353.06601	1.3
355.04498	0.5
357.06165	98.4
358.06534	2.1
363.05170	1.5
369.06097	2.5
371.08020	0.3
381.06165	4.6
387.07166	0.4
399.07199	14.2
417.08279	99.3
418.08371	2.3
423.95221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09925	0.6
57.03449	0.8
58.00593	0.8
59.01376	34.7
60.01724	0.7
65.00322	1.5
70.93430	0.7
71.01369	10.4
83.01415	1.3
85.02959	4.3
89.02427	12.2
93.03436	1.9
99.04511	4.5
101.02431	5.8
107.01386	2.0
109.02941	7.7
113.02448	4.1
119.03441	6.9
119.04979	1.4
121.02933	3.6
124.80484	0.8
125.02457	4.2
133.02930	47.6
134.03712	3.6
135.04500	4.5
137.02420	2.0
143.03418	1.0
149.02431	4.1
151.00316	3.8
151.04001	1.8
161.02411	7.4
163.00327	12.1
163.03978	6.8
164.01147	1.0
165.01906	4.6
170.87119	0.9
171.04559	1.0
175.04012	12.4
177.01955	3.5
179.03407	0.9
179.05608	1.4
189.01923	1.0
189.99092	1.3
191.03647	2.6
191.05618	5.9
192.05995	0.9
193.01341	1.4
199.03996	5.2
201.01826	6.1
203.03569	2.1
211.04131	3.0
213.05544	3.4
217.05067	1.4
223.04027	1.0
224.04852	1.0
225.05557	5.1
227.03439	1.5
229.04936	1.8
237.05583	1.0
237.14893	9.6
239.07028	1.3
241.04904	2.1
251.03586	1.3
253.04996	6.7
255.03027	3.2
256.03790	1.0
267.03162	1.1
269.04520	5.7
281.04562	1.2
284.03271	20.7
285.04053	38.3
297.04034	72.1
298.04797	48.9
299.05612	32.3
311.05676	17.3
324.02609	6.2
325.03494	1.4
327.05115	100.0
339.05106	19.3
341.06488	3.6
357.06177	96.5
369.06152	3.3
381.06277	3.5
399.07187	15.9
417.08264	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82981	0.1
56.40145	0.1
57.03442	0.1
59.01386	0.8
60.96828	0.1
71.01371	0.2
73.61874	0.2
76.15374	0.1
78.91924	0.1
78.95909	0.3
79.95725	1.2
85.02951	1.0
87.00884	0.2
93.03447	1.2
96.82539	0.1
96.96001	100.0
97.89404	0.1
109.02953	0.9
123.04470	0.2
125.02435	1.3
125.49954	0.2
126.02505	0.1
126.90359	0.3
135.04509	0.3
137.02435	1.0
147.83852	0.1
149.02406	0.9
151.00371	1.2
152.01094	0.2
153.01939	0.3
161.02434	0.3
165.01901	0.8
169.01393	0.6
178.99844	0.2
183.02911	1.3
191.05620	5.0
192.05956	0.7
193.01401	0.9
209.00908	0.9
209.02753	0.2
217.66832	0.1
280.37961	0.2
301.03439	0.1
302.11789	0.2
319.04611	1.4
417.12756	0.2
420.44891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09744	0.6
51.36164	0.6
52.20472	0.6
59.01374	3.4
65.00319	1.8
66.92377	0.6
77.03971	1.3
79.01906	1.0
83.01385	1.0
85.02965	0.9
93.03436	1.3
97.02980	0.6
106.12071	0.7
107.01373	1.6
109.02970	6.8
121.02905	5.9
125.02403	1.4
133.02933	52.3
134.03726	4.3
135.00864	1.2
135.04504	4.0
137.02446	1.6
147.04509	1.6
148.01659	0.8
149.02438	3.1
151.00362	3.4
161.02429	8.1
163.00357	10.8
163.04005	5.8
165.01874	4.7
170.03561	0.8
174.03174	0.9
175.00461	0.8
175.03989	10.4
177.01915	3.0
179.03426	1.6
187.03957	2.6
191.03500	1.2
191.05577	6.3
193.01353	2.8
196.90034	0.7
198.03148	0.9
199.04033	6.4
200.38402	0.7
201.01848	4.7
203.03441	2.8
209.06073	0.8
211.04010	1.7
211.07613	0.7
212.04799	1.3
213.05537	1.7
224.04652	1.0
225.05542	4.7
227.03395	3.1
229.01349	1.1
229.04936	1.0
240.04279	1.7
241.05043	3.7
243.02950	1.1
247.59761	0.7
251.03406	1.3
253.05035	5.7
255.02965	3.3
255.06714	0.9
265.05145	0.8
267.06613	0.8
269.04584	6.4
281.04434	1.3
284.03229	16.6
285.04044	32.1
297.04031	55.8
298.04785	43.1
299.05585	37.8
309.04095	1.5
311.05621	14.9
324.02670	4.5
325.03488	1.2
327.05084	96.1
328.05347	0.9
330.03708	1.5
339.05054	16.7
341.06589	2.9
353.06619	1.0
357.06149	100.0
358.06458	0.9
369.06067	1.3
381.06116	3.3
395.44830	0.9
399.07129	12.8
417.08237	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47898	15.2
55.71837	14.4
58.42374	16.0
59.01378	100.0
66.40974	17.3
83.52061	18.9
89.57633	17.2
91.03970	17.2
94.64664	19.6
140.32358	20.9
154.58961	20.5
176.84612	17.0
180.78751	20.0
191.05576	76.4
380.94046	19.1
385.43240	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61017	3.2
58.21722	2.6
72.99288	23.1
73.02943	4.7
75.00854	100.0
75.01265	4.5
76.78023	3.1
82.71168	3.0
85.57526	2.9
86.39031	3.3
135.94589	3.4
139.73129	3.5
191.05591	7.0
415.34290	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
60.12152	0.2
60.31178	0.2
61.98828	6.5
69.76691	0.2
78.95888	6.7
79.95719	2.2
85.02923	1.4
87.00861	0.2
89.26843	0.2
93.03437	0.8
96.95992	100.0
96.96898	10.1
97.95985	0.2
98.31042	0.2
98.95587	0.4
118.40612	0.2
135.04523	0.2
173.04613	0.2
175.99719	0.2
191.05605	17.4
229.53401	0.2
317.49347	0.2
353.08768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72693	0.2
59.01389	0.3
60.85276	0.2
61.98822	8.0
78.95891	5.4
79.95718	2.0
85.02951	1.5
85.63065	0.2
87.00857	0.2
96.95990	100.0
96.96891	9.3
114.36070	0.2
135.04501	0.2
161.02408	0.5
173.04353	0.2
176.04063	0.3
191.05598	25.2
204.98203	0.2
263.85880	0.2
353.08847	2.4
385.95114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04048	0.5
54.82114	0.4
55.01884	3.1
57.03447	1.4
58.00582	0.6
59.01374	100.0
60.55043	0.6
61.98845	0.9
62.64422	0.5
71.01368	28.6
71.01740	1.2
72.99297	0.6
73.02934	7.8
78.02075	0.6
80.74235	0.5
83.01389	3.6
85.02937	10.5
87.00865	1.1
89.02429	18.6
93.03439	0.8
94.20354	0.6
95.01376	1.3
99.00886	1.4
101.02419	18.0
101.03031	0.9
113.02429	11.3
119.03458	5.7
119.05051	0.8
125.02380	1.2
131.03442	0.6
143.03482	0.7
156.33705	0.6
156.40767	0.6
159.02965	1.2
161.04535	5.3
165.12802	0.7
175.53784	0.6
179.05592	1.3
191.05583	7.0
237.73164	0.6
243.92880	0.5
269.04449	1.1
283.06122	0.7
297.04196	0.8
311.05676	0.6
355.21399	0.9
373.22330	12.0
375.90115	0.7
415.10529	1.2
415.23264	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03436	0.3
59.01376	100.0
71.01376	6.0
73.02956	2.1
83.01379	1.5
85.02935	2.8
89.02448	1.2
92.10898	0.6
96.23188	0.2
99.00876	0.4
101.02429	4.6
113.02420	2.2
116.99120	0.3
153.68718	0.3
161.04498	1.3
191.05496	0.4
218.90273	0.3
279.53116	0.3
373.22333	4.6
382.90128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27974	0.8
54.61389	0.8
55.01878	16.6
55.79221	0.9
57.03450	9.1
58.00576	1.8
59.01373	97.6
61.83860	0.9
62.98685	0.9
66.67481	1.0
69.03435	2.0
71.01369	100.0
72.99304	1.9
73.02933	30.6
75.00891	2.3
76.04669	1.1
76.57021	1.1
77.03940	1.1
83.01370	18.3
85.02936	57.1
87.00887	5.0
89.02417	26.8
91.01868	1.4
93.03428	2.2
95.01369	7.3
97.02943	2.4
99.00868	13.6
101.02422	74.3
106.02328	1.3
111.00896	1.4
113.02433	30.4
117.03455	11.1
119.03487	6.9
119.05042	1.5
121.02927	2.1
123.42174	1.3
124.01572	2.1
125.02428	7.3
129.01884	2.5
135.04550	1.5
139.05646	1.2
142.17926	1.1
143.03407	4.0
144.29465	1.1
149.02365	1.4
149.99538	2.8
159.02969	5.7
161.02428	4.4
161.04532	37.9
163.04031	1.8
168.00574	2.3
170.65071	1.4
191.05569	14.6
224.75435	1.2
239.07167	1.3
256.09219	1.2
269.04517	4.6
281.04529	4.6
282.05157	1.9
283.06100	37.7
293.04712	1.6
297.04053	1.9
298.72571	1.2
308.33914	1.4
311.05624	34.1
314.04239	1.3
323.05646	1.6
341.06680	2.6
341.19650	4.1
353.19714	54.9
371.20709	12.8
385.18521	5.3
397.18414	1.5
415.10495	30.1
415.19574	36.6
428.92166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93650	0.4
55.01528	0.5
55.01849	0.7
57.03446	0.7
58.99443	0.4
59.01375	100.0
61.98819	0.6
71.01367	13.7
73.02943	3.8
83.01387	1.1
85.02946	5.7
86.61842	0.5
87.00855	0.5
89.02435	8.9
95.01391	0.8
97.65099	0.4
99.00857	0.9
101.02427	7.8
105.56850	0.5
113.02457	7.0
119.03474	3.9
125.02409	1.9
129.01875	0.6
134.49887	0.6
161.04588	4.0
168.04346	0.5
191.05577	4.0
193.06534	4.6
193.84416	0.5
269.04413	0.8
277.54782	0.5
355.21063	0.6
373.22296	10.4
415.06207	0.6
415.23303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28857	5.1
59.01376	100.0
69.74107	5.2
71.01383	30.6
72.99279	7.9
73.33186	5.6
77.49841	5.4
85.02955	25.1
89.02450	32.8
101.02440	11.0
113.02428	9.4
121.02868	6.8
133.02878	7.7
137.09662	10.4
144.44073	5.4
151.00397	6.9
160.66655	6.8
175.39186	6.2
177.67000	5.8
179.05594	10.9
191.05565	52.4
269.04578	28.4
285.04025	14.3
297.03979	14.3
366.88528	7.0
415.06754	41.9
415.19644	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.1
57.03447	9.7
58.00586	1.3
59.01378	100.0
67.64185	1.0
69.19308	1.2
71.01371	96.2
72.99307	2.0
73.02934	28.3
77.03967	1.3
81.77259	1.2
83.01379	20.0
85.02940	49.4
87.00877	5.4
89.02435	24.9
93.03446	5.0
95.01375	10.9
97.02913	2.1
99.00845	13.0
101.02428	70.8
111.00874	2.1
113.02447	40.4
116.78448	1.2
117.03471	11.0
119.03491	9.9
119.05006	2.0
121.02946	2.5
124.75079	1.2
125.02430	5.6
127.03951	1.7
131.82809	1.3
135.04532	6.1
143.03487	1.8
149.02419	1.6
153.42949	1.5
159.02972	6.2
159.04436	1.9
161.02438	2.1
161.04536	37.8
163.04044	2.9
163.24084	1.2
168.00555	2.0
191.05603	17.4
269.04504	5.4
281.04300	1.7
283.06100	44.8
295.06125	1.5
311.05673	36.9
323.05615	3.0
341.06580	5.1
341.19638	2.7
353.19714	46.6
371.20651	15.0
385.18576	7.0
397.18808	2.5
401.10364	1.4
415.05746	2.0
415.10593	36.0
415.19592	38.3
416.10522	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60708	1.0
55.01877	1.6
56.53231	1.1
57.03467	1.1
59.01376	53.0
66.33492	1.2
71.01366	29.6
72.99290	13.3
73.02929	2.3
83.01388	1.8
83.05024	1.9
85.02940	11.2
87.00855	2.2
88.98806	2.3
89.02435	19.8
91.05535	7.6
96.95992	11.6
97.56477	1.3
99.00861	2.2
101.02428	14.8
109.02940	8.1
113.02454	11.4
116.44965	1.3
119.03485	10.4
119.04982	2.5
125.02408	2.3
129.07085	29.0
133.02914	1.5
137.02423	2.3
139.04082	3.6
143.05034	2.4
145.06584	40.7
147.08124	1.6
153.01904	2.6
161.02386	2.9
161.06096	1.4
168.00662	1.6
173.04868	3.5
173.06053	100.0
177.06721	1.4
179.05637	1.6
189.05554	17.3
191.05605	28.2
191.07108	2.8
217.05008	6.9
235.06125	10.9
315.07150	2.8
331.06876	1.5
390.08176	1.6
397.11411	96.1
415.12491	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01885	1.1
58.00601	2.0
59.01382	100.0
60.34585	0.8
61.98833	6.5
71.01376	62.1
72.99311	1.9
73.02934	20.4
81.03405	1.0
83.01410	1.1
85.02941	11.5
89.02429	99.5
92.10875	1.2
93.03465	1.1
95.01382	1.5
95.45171	0.9
97.02936	1.6
99.00868	32.4
101.02422	32.3
110.91737	0.9
113.02438	9.3
119.03462	7.8
125.02409	4.0
131.03490	12.0
135.04436	1.2
149.04541	42.3
161.04521	2.3
179.05536	2.3
191.05589	21.9
199.49579	1.0
214.21436	1.0
226.21729	1.0
251.07607	1.8
285.82788	1.5
343.32159	1.1
349.14502	1.1
415.16046	6.1
427.88940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01126	0.9
59.01365	8.7
61.98830	1.0
65.71207	0.9
71.01376	1.7
77.03958	2.4
79.01897	1.1
80.67278	1.0
83.01381	1.3
85.02934	1.7
93.03459	5.0
95.01364	1.9
98.31509	1.0
102.34725	0.9
105.02743	1.1
105.03448	1.5
117.03450	29.6
117.04289	1.5
119.04984	1.6
121.02954	5.0
123.04527	1.2
125.02427	1.2
133.02931	1.5
135.04518	4.4
136.01604	1.5
149.02492	1.6
151.00374	1.7
159.04543	2.3
161.02414	13.2
163.00340	5.2
163.04010	4.8
165.01880	4.7
175.00388	1.3
175.03999	2.2
177.01944	1.3
179.03439	1.3
183.04442	1.4
183.08011	1.2
189.51991	1.2
191.05586	4.9
195.04457	1.6
197.06024	1.9
203.03474	1.6
210.06862	2.1
211.07599	3.8
225.05621	1.7
239.07129	4.8
253.04994	2.4
254.05688	1.2
268.03656	7.2
269.04578	25.1
279.06717	1.3
281.04523	33.9
282.05331	21.2
283.06110	89.2
293.04572	5.9
295.06119	23.8
308.03088	1.1
309.04169	2.1
311.05603	97.6
314.04514	9.5
323.05637	38.1
325.07141	2.2
341.06659	98.3
353.06488	2.5
361.07321	1.2
397.09399	6.4
415.10379	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31619	0.2
59.01375	100.0
65.54362	0.3
136.16982	0.2
137.00870	0.3
293.55353	0.3
370.54565	0.3
391.45483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3059
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
54.81413	1.3
59.01379	5.7
70.40474	1.3
71.05030	2.1
78.21829	1.4
130.20294	1.4
133.02907	2.6
187.34491	1.8
235.74539	1.5
254.23027	1.6
395.29358	19.0
413.30585	100.0
414.30969	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	415.1033
Annotation	Bayin
Peak:m/z	Relative Intensity
55.01882	4.2
55.23850	0.9
57.03441	2.7
59.01378	44.2
65.00306	1.4
66.17950	1.1
66.18333	1.2
71.01374	28.9
72.88309	1.0
72.99305	1.2
73.02946	7.4
74.35310	1.0
77.03964	6.9
79.01897	4.3
80.58266	1.1
83.01388	5.9
85.02943	20.2
87.00877	5.1
89.02428	15.4
93.03471	6.5
95.01385	1.7
99.00884	2.4
99.04554	1.1
101.02444	14.6
105.03496	1.8
107.01398	1.4
108.02180	1.6
109.02941	2.2
110.28106	1.0
113.02464	6.9
117.03436	16.1
119.03487	4.7
119.05008	2.6
121.02958	6.6
125.02431	2.2
133.02992	2.1
135.04517	4.7
137.02435	1.7
143.05006	4.4
145.02972	5.8
149.02457	2.6
151.00331	1.5
152.49382	1.3
159.03142	1.2
159.04419	1.7
161.02460	11.0
161.04547	7.5
163.00343	4.9
163.04059	1.8
164.01041	1.3
165.01889	5.0
165.05455	1.6
167.08574	1.6
173.04552	1.5
175.03963	1.4
177.92630	1.1
179.03595	1.1
181.06566	4.6
183.08189	1.1
191.03767	1.6
191.05605	41.8
195.08054	1.9
203.03386	1.3
210.06902	1.4
223.07640	8.7
225.05621	1.7
229.01414	7.3
237.05588	1.6
238.06325	2.0
239.07014	1.8
253.05077	6.5
265.04962	12.3
266.05835	1.8
267.06601	92.6
268.03836	7.4
269.04541	15.2
277.04974	1.6
279.06656	9.9
281.04517	16.7
282.05286	14.8
283.06097	24.9
292.03629	1.4
293.04688	2.2
295.06110	100.0
298.04910	5.1
307.06165	12.7
308.03448	1.3
309.04196	1.2
311.05634	45.2
314.04358	2.0
323.05743	15.1
325.03543	1.4
325.07138	26.8
337.07236	1.6
341.06674	48.7
379.08142	2.0
397.09293	4.9
415.10434	75.6
415.23807	8.1
416.10538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82144	0.5
55.01872	0.6
57.51711	0.4
59.01375	100.0
61.98817	4.2
68.54023	0.4
68.83818	0.4
71.01373	6.9
73.02930	2.0
83.01376	2.0
84.05618	0.5
85.02939	4.3
85.18319	0.4
89.02422	2.3
96.10318	0.4
99.56058	0.5
101.02415	4.6
113.02421	2.5
117.03442	0.6
119.03442	0.5
122.99211	0.4
127.99835	0.4
135.04509	0.4
141.56441	0.5
142.12645	0.4
161.04596	0.5
161.64052	0.4
165.01956	0.4
184.27817	0.4
191.05539	1.0
203.56245	0.5
209.73889	0.4
251.20168	0.5
281.04590	1.0
282.05228	0.5
283.06064	0.7
311.05557	2.3
314.83795	0.5
327.05032	0.8
371.20789	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.97273	0.8
59.01374	100.0
71.01368	16.4
71.01693	1.0
73.02934	3.8
81.57555	0.8
83.01374	1.7
85.02966	5.7
89.02428	8.8
93.03441	0.8
101.02427	11.9
104.33032	0.9
113.02444	5.2
115.54122	0.7
118.62451	0.8
119.03477	3.7
120.99654	1.2
161.04517	3.8
174.15634	0.8
181.75774	0.9
191.05560	1.3
209.54617	0.7
251.16586	1.2
331.19043	0.8
353.19745	1.0
371.20642	10.7
375.20255	3.2
413.21661	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	413.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.60026	21.8
86.39381	25.1
100.62847	23.9
147.21971	22.5
147.93562	22.6
182.39963	25.4
396.51810	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01138	0.2
59.01373	100.0
75.88155	0.2
77.66093	0.2
89.54490	0.2
129.05798	0.2
177.68626	0.3
234.69167	0.3
281.20056	0.2
413.30255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51718	6.1
59.01370	100.0
61.98811	6.5
64.33193	7.4
76.56136	7.0
93.03458	7.8
96.11981	7.0
110.39323	7.1
111.74403	6.9
118.24988	6.5
132.05704	7.1
166.63957	7.0
191.05533	12.8
221.06567	7.0
230.79005	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	413.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85785	2.7
59.01374	100.0
79.66338	3.3
80.50227	3.3
84.74207	2.8
92.10804	7.0
93.03457	2.8
149.53299	3.3
150.53076	3.4
161.02502	4.0
194.05144	3.3
239.57820	3.4
353.92587	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	413.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46457	0.3
55.01878	1.7
57.03442	1.5
59.01376	100.0
63.29931	0.3
71.00987	0.5
71.01372	9.6
71.24232	0.3
73.02929	4.2
82.93053	0.3
83.01385	2.3
85.02935	6.3
85.03415	0.4
87.00849	0.4
89.02445	3.0
95.01382	0.4
98.71497	0.3
99.00849	0.8
101.02438	6.3
109.29062	0.3
113.02437	3.9
118.27892	0.3
119.03452	0.7
132.13184	0.3
159.03026	0.3
161.04546	2.0
209.15405	1.9
216.43387	0.3
269.04510	0.5
353.19666	1.9
371.20755	7.3
412.19962	0.3
413.22192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89923	0.7
53.94971	0.5
55.01873	0.6
56.23434	0.6
59.01371	17.2
61.98814	0.9
71.01369	13.3
72.68369	0.6
72.99297	0.8
73.02929	1.8
75.00858	89.2
82.95397	1.6
83.01355	1.5
85.02940	5.6
85.03375	0.7
87.00854	1.6
89.02425	9.5
89.26694	0.7
92.10192	1.4
93.03426	1.8
95.01373	0.9
95.09813	0.7
99.00867	1.0
101.02427	8.4
113.02436	3.8
117.01945	1.7
117.03409	5.2
119.03439	1.6
119.04958	1.0
128.53911	0.7
132.02153	10.2
133.02956	3.5
134.03714	37.1
135.04478	0.9
135.10339	0.7
137.02467	0.9
143.71742	0.7
145.02917	2.9
146.67210	0.6
149.06062	3.7
160.01648	45.0
161.02466	9.3
168.41165	0.8
175.03983	43.8
191.05641	5.8
193.05038	17.6
207.06645	1.0
228.08858	0.9
235.06105	3.4
237.06142	100.0
334.10269	0.8
413.10849	62.3
420.56519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02534	0.3
50.13880	0.3
52.47766	0.3
53.25583	0.3
55.37243	0.3
56.84336	0.3
57.03446	0.3
59.01366	2.1
71.01371	2.2
73.02932	66.4
78.95892	3.4
85.02930	0.6
87.00851	4.1
87.96639	0.3
88.98804	3.1
89.02409	1.3
96.95992	16.4
96.96966	1.4
99.00850	6.9
99.92587	0.7
101.02448	0.5
113.02458	0.5
116.92855	8.6
117.01920	100.0
131.03506	0.3
133.01425	0.4
133.05035	0.5
135.04514	0.5
146.65015	0.3
147.02969	0.6
148.01694	0.4
151.22047	0.3
152.99585	0.5
153.01939	0.4
161.04507	0.4
162.44437	0.3
163.03932	0.4
181.07227	1.4
191.05608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47836	0.1
57.60814	0.2
57.87093	0.2
58.19114	0.1
59.01373	0.8
78.95920	0.3
85.02956	0.2
88.98795	0.3
93.03434	1.3
94.58820	0.2
96.39951	0.2
119.05013	100.0
120.05354	0.9
127.03906	0.2
134.22278	0.2
163.03998	46.1
168.78589	0.2
178.96815	0.2
191.05612	2.4
192.06006	0.3
250.89601	0.2
279.83267	0.2
401.61871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44250	0.4
55.01884	0.5
57.03460	0.8
58.00603	0.8
59.01381	100.0
69.03454	0.8
71.01373	17.5
73.02936	25.5
83.01374	5.2
85.02937	6.4
87.00841	0.9
89.02425	8.0
95.01376	1.1
96.52997	0.4
101.02427	18.9
113.02431	9.6
119.03463	2.0
121.06548	0.7
125.02406	0.6
126.86453	0.4
131.03490	0.9
135.04482	1.8
137.09691	11.8
143.03496	0.8
161.04543	2.6
191.05592	3.1
279.40347	0.6
305.17786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
76.45813	0.2
83.58010	0.2
125.35195	0.2
127.88666	0.2
163.23309	0.2
242.43974	0.2
258.55386	0.2
280.39819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90306	0.2
54.81791	0.2
55.01886	0.2
59.01389	2.5
60.81135	0.2
64.33606	0.2
71.01369	1.9
73.02941	0.8
74.06589	0.2
78.95897	4.6
79.95699	1.7
83.01407	0.2
85.02938	1.3
87.04516	0.2
88.98775	0.2
89.02451	0.3
93.96331	0.2
96.95995	100.0
96.96888	6.6
101.02434	2.3
108.28890	0.2
113.02434	0.8
115.96896	0.2
123.04478	0.4
124.45409	0.2
131.03546	0.2
135.04503	0.9
149.06088	0.2
153.05547	1.1
161.04506	0.7
189.05638	0.3
191.05522	0.8
192.57341	0.2
201.01643	0.3
221.10274	3.6
230.26170	0.2
323.13486	0.3
353.14575	3.3
375.06906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07138	0.4
55.01877	0.6
57.03443	0.6
59.01375	100.0
61.75930	0.5
71.01366	24.9
72.99294	1.0
73.02943	2.2
73.49420	0.5
76.56064	0.6
83.01392	1.0
85.02934	8.0
87.00877	1.4
87.04546	0.9
89.02431	27.3
89.06178	0.5
89.97867	0.5
92.10854	1.2
93.03446	1.1
95.01357	1.2
99.00815	0.6
101.02425	18.3
101.03044	1.1
111.79148	0.6
113.02435	11.9
119.03474	11.3
129.09163	0.6
133.05069	0.7
143.03520	0.6
149.04501	0.7
156.32431	0.6
161.04538	4.7
179.05603	4.6
183.73439	0.5
187.13373	3.1
191.05598	6.3
295.10352	19.0
349.14587	1.2
349.18689	27.2
409.13495	1.0
409.20779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.9
59.04682	0.7
61.98819	1.1
63.08082	0.7
78.75294	0.9
78.95890	83.3
92.10837	1.1
96.96934	6.8
125.31667	0.8
126.21812	1.0
152.99564	100.0
153.99829	1.0
171.00687	1.2
215.83092	1.0
255.23296	2.1
319.82535	1.0
403.65811	1.1
409.23602	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	409.2359
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
50.84910	0.5
51.28997	0.5
54.67234	0.6
56.41988	0.5
59.01373	1.8
60.50360	0.8
61.98832	1.2
69.65331	0.6
71.33305	0.6
74.97730	0.6
77.38819	0.7
78.95887	74.7
82.50927	0.7
89.99918	0.7
91.37296	0.7
96.96944	5.1
100.18077	0.7
103.23268	0.7
130.40555	0.7
133.04546	0.8
150.97978	3.4
152.99576	100.0
157.06487	0.7
171.00626	1.7
232.73570	0.7
245.66266	0.7
255.23293	3.0
409.23645	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	409.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89900	0.4
53.19110	0.5
55.01892	0.9
57.03452	2.2
58.00596	2.1
59.01383	100.0
61.98829	0.8
69.03458	0.9
71.01376	35.6
71.25180	0.6
72.99310	2.0
73.02927	3.9
78.38699	0.4
78.95945	0.7
82.95415	10.1
83.01376	4.0
83.38978	0.5
85.02945	13.4
87.00882	3.1
87.04517	3.8
88.98789	1.1
89.02431	42.0
92.10114	1.5
93.03436	4.2
95.01392	4.7
96.95982	10.1
97.02926	0.7
99.00858	1.2
101.02428	25.7
109.02952	0.8
109.06592	2.3
113.02434	22.1
113.03184	1.1
119.03481	15.5
125.02390	0.8
127.07648	0.8
131.03496	3.0
137.02428	1.2
143.03531	0.8
149.04556	0.5
152.93614	0.7
161.04546	5.0
173.66516	0.5
175.02390	0.8
177.02910	0.5
179.05600	2.5
187.13333	0.9
191.05608	15.2
192.06003	1.2
217.01375	1.2
230.67639	0.6
245.10153	1.1
295.10315	68.7
315.05338	0.5
349.18655	18.7
409.13123	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81268	0.6
55.01871	1.0
57.03439	2.5
58.36615	0.4
59.01376	100.0
61.87445	0.5
67.22449	0.5
69.03468	0.6
70.33298	0.4
71.00977	1.0
71.01370	25.8
71.01746	1.1
72.99303	0.6
73.02934	5.3
83.01379	2.7
85.02940	11.4
87.00879	0.6
87.04504	1.3
89.02431	18.0
93.03450	0.9
95.01367	2.4
99.00882	1.1
99.72698	0.6
101.02424	17.3
102.77557	0.5
113.02441	12.5
115.03955	0.6
119.03486	8.6
143.45364	0.6
153.74036	0.6
161.04520	10.4
161.54897	0.6
165.63945	0.6
179.05521	1.0
187.13358	5.8
191.05621	7.5
295.10355	2.4
309.11725	0.7
336.44275	0.6
349.18686	39.9
349.22946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01460	0.7
56.77932	0.7
58.00586	1.5
59.01375	89.6
61.83066	0.7
69.03465	0.9
70.24284	1.0
71.00980	1.8
71.01370	40.3
71.01743	1.7
72.99297	2.0
73.02932	2.0
82.95403	12.3
83.01383	2.1
83.19544	0.9
84.05006	0.9
85.02943	14.6
87.00866	5.9
87.04496	1.8
89.02426	43.5
93.03436	5.5
95.01378	4.9
96.95995	4.8
101.02422	24.0
109.02948	1.4
109.06588	1.1
113.02430	21.2
115.00327	1.7
119.03486	17.2
119.31895	1.0
125.02431	2.2
127.03935	0.9
131.03474	3.7
133.04964	1.0
133.46660	0.9
137.02466	2.2
142.65018	1.1
143.03485	1.2
145.79845	1.0
151.00343	1.5
161.04543	3.9
173.04521	1.6
175.02435	1.3
179.05627	2.0
188.75539	1.1
191.03783	1.4
191.05582	31.9
204.65480	0.9
217.01425	4.9
295.10312	100.0
296.10663	1.6
345.75391	1.0
349.18628	1.5
409.13467	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	407.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04399	4.3
54.17278	4.8
55.20285	5.0
61.03900	4.5
67.01879	45.0
80.25903	4.9
95.05005	100.0
97.50214	4.7
108.81762	4.9
111.35509	5.1
135.93042	5.4
150.77603	5.3
223.14754	5.1
267.26913	9.6
327.15900	5.4
363.32806	90.8
402.86890	5.6
407.31683	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
59.01372	9.5
60.01699	0.9
61.98821	100.0
71.01369	1.2
72.01711	0.2
85.02953	0.4
89.02457	0.3
93.03443	0.5
101.02427	0.9
113.02426	0.4
123.04501	0.2
139.52873	0.2
149.01149	0.2
161.04523	0.5
184.10654	0.3
185.10890	0.2
191.05551	1.8
305.81558	0.3
347.17163	0.5
348.17267	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	408.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98822	100.0
69.10633	0.6
69.50799	0.6
74.98370	0.6
78.46873	0.7
79.57253	0.6
92.10142	2.0
122.91880	0.8
135.04524	2.6
137.20656	0.7
138.92285	0.8
191.05652	4.5
202.99947	1.1
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
57.68303	30.8
59.01366	42.4
78.11869	27.7
83.65756	29.6
92.10133	100.0
103.96853	28.2
117.18526	31.4
121.07585	33.9
161.04393	32.5
172.70193	33.4
191.05627	40.3
231.59592	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70382	54.6
59.01379	49.6
62.11581	56.3
62.44256	51.8
72.57324	52.1
91.05364	52.7
95.43664	55.7
103.80467	65.0
120.66487	59.4
191.05693	100.0
203.68333	61.5
235.14317	76.4
418.11722	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03454	0.5
58.00582	0.6
59.01375	100.0
70.62067	0.5
71.01372	21.7
71.01748	1.1
72.99302	1.0
73.02939	1.1
77.47437	0.5
80.91654	0.5
83.01372	0.8
85.02927	7.2
86.82507	0.4
87.00862	1.2
89.02430	24.3
93.03439	0.9
95.01377	2.4
99.00860	0.9
101.02424	10.0
102.61359	0.5
113.02444	9.0
113.82962	0.5
119.03487	9.9
143.03450	2.3
145.02916	2.8
149.02425	0.9
150.03168	2.4
153.05573	0.8
161.04547	5.1
161.93323	0.5
163.03931	0.7
165.05528	1.1
166.02612	0.6
179.05569	9.6
181.05025	1.8
185.11769	1.0
191.05605	8.9
195.06511	1.0
211.06084	2.0
232.20834	0.5
293.12616	0.7
347.17062	7.8
367.66733	0.5
407.08264	0.5
407.14893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
58.00599	0.3
59.01375	69.0
69.03442	1.6
71.01369	5.1
71.01706	0.4
83.01414	0.3
85.02929	2.6
87.04479	0.4
89.02429	3.4
89.56332	0.4
95.01392	0.5
101.02439	2.1
113.02428	3.9
113.09695	3.2
115.07639	1.7
119.01366	0.7
119.03497	2.9
135.00861	0.7
135.04536	1.4
136.01595	0.5
137.02432	1.8
141.12918	0.3
141.44879	0.4
143.17781	0.3
143.49120	0.3
147.00891	0.8
149.57448	0.3
151.00383	0.4
151.03932	0.3
161.04524	0.7
164.01167	0.5
165.01909	8.2
166.06354	1.6
167.07153	0.5
179.00354	0.4
179.03494	8.3
179.05632	0.7
180.04260	4.6
181.08734	0.6
185.11809	100.0
186.12180	0.6
191.05595	2.0
194.05785	2.3
195.06537	4.1
199.13338	2.5
210.05424	0.4
225.07639	2.7
227.12912	2.2
252.44951	0.4
285.07986	0.5
293.12390	0.6
301.10831	1.5
311.20697	0.3
321.38736	0.4
329.10269	9.3
344.12640	5.8
359.15042	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80707	0.3
55.01865	0.4
57.03455	0.4
59.01374	100.0
59.97672	0.4
61.13737	0.4
61.87778	0.4
64.33121	0.4
71.01369	11.8
72.99292	0.6
73.02936	2.2
79.06958	0.4
83.01388	1.0
85.02926	4.9
87.00860	0.5
89.02428	15.9
92.10854	0.8
93.03463	0.6
95.01372	0.8
96.95998	1.9
99.00849	0.7
101.02429	9.1
107.69379	0.4
109.06566	1.1
112.90298	0.4
113.02425	5.7
119.03476	8.5
131.03511	0.7
143.03458	1.0
143.95805	0.4
149.04532	0.9
150.67538	0.4
161.04539	4.0
179.05580	8.8
191.05646	1.0
234.66780	0.5
256.34512	0.4
269.13916	0.6
329.88675	0.5
347.17081	11.1
410.89999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81582	0.5
55.01871	0.8
59.01374	100.0
71.01366	12.0
73.02950	1.0
76.56020	0.5
77.16846	0.5
79.31670	0.5
83.01349	0.7
85.02932	5.2
87.00883	0.6
89.02425	15.2
90.43156	0.6
93.03399	0.6
95.01357	1.1
96.95987	10.9
101.02424	9.7
101.88232	0.5
106.19350	0.6
109.06564	0.7
113.02441	7.7
114.36664	0.5
119.03483	6.6
133.02974	0.7
143.03387	1.0
161.04529	3.8
164.72597	0.5
167.10690	0.5
179.05588	7.0
185.58820	0.5
191.05618	2.7
347.17099	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	407.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00164	1.3
57.03463	1.3
59.01372	46.4
61.11134	1.2
67.01891	2.2
71.01376	9.7
71.39652	1.1
73.02933	2.8
82.02968	13.8
83.01405	1.7
85.02935	11.8
89.02438	5.8
93.03448	9.6
95.01385	1.5
97.98290	1.4
100.75366	1.4
101.02431	2.8
111.04532	2.7
113.02437	8.4
121.02946	7.3
133.02943	1.6
135.04488	2.0
143.32259	1.6
151.72116	1.3
152.01140	10.8
160.07661	5.6
161.04610	2.3
162.03120	1.6
162.04355	2.0
164.03479	6.9
166.02667	2.2
167.03458	6.2
173.04578	2.3
174.05560	2.4
174.32236	1.5
179.03494	6.7
179.07051	1.6
181.05067	1.9
186.05705	2.0
188.07196	6.2
189.02840	1.8
189.06525	1.9
191.05629	37.4
194.04408	1.7
202.08705	3.0
204.05362	1.6
214.05200	2.0
216.05266	8.5
216.06902	5.2
216.10271	1.7
217.02544	7.3
217.06139	16.9
218.06860	2.6
227.08171	1.9
229.06091	10.8
230.03362	2.3
230.06918	5.6
231.07706	22.0
232.08490	6.1
241.06264	2.2
242.03311	2.2
243.04077	34.6
243.07748	4.9
244.04906	22.1
244.09818	18.5
245.09270	6.8
248.09233	2.5
249.05830	1.9
256.04935	7.9
257.05722	29.3
257.08487	2.1
257.09360	1.9
258.06512	9.8
259.07205	55.7
259.10788	8.0
260.09494	1.8
262.06195	2.0
267.02939	1.5
269.09286	5.2
270.07178	1.4
271.07202	28.1
285.05106	1.8
285.08734	7.0
287.10336	89.9
288.08698	8.3
291.09818	16.3
295.06647	1.8
313.08292	100.0
319.12860	1.6
331.09344	47.1
331.55142	1.5
345.10986	7.5
347.17294	2.3
371.09772	6.4
375.08249	22.4
389.09866	6.0
407.11002	62.4
416.05206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28482	0.2
57.72861	0.2
59.01375	3.2
66.40141	0.2
71.01366	1.2
77.71947	0.2
78.95899	3.2
79.95715	1.3
84.12488	0.2
85.02929	0.9
87.00839	0.4
89.02436	1.1
90.84679	0.2
96.95992	100.0
96.96871	4.6
98.95570	0.2
101.02445	0.4
113.01104	0.2
119.03448	0.4
129.05525	0.3
133.05016	0.4
177.36926	0.2
191.05595	1.8
194.66541	0.2
244.30214	0.2
309.11945	3.0
321.55875	0.2
363.96744	0.2
371.09723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48968	0.9
59.01375	100.0
65.99861	1.6
71.01370	18.6
73.02946	2.0
75.00831	1.1
82.02977	10.4
84.18708	1.1
85.02926	9.6
87.00868	4.6
88.98778	1.3
89.02415	23.0
101.02406	10.6
113.02451	9.7
119.03486	7.6
121.02951	4.7
135.04489	1.8
152.01161	9.1
160.07610	2.1
161.04556	1.4
162.04346	1.7
164.03532	5.9
165.01964	1.5
166.02663	1.6
167.03484	5.5
173.04593	1.9
174.01929	1.9
174.05673	1.4
179.03398	2.8
179.05612	6.5
187.04836	1.5
188.07222	2.4
191.05635	20.6
202.08704	6.3
204.05362	1.6
214.05067	1.7
215.04407	1.7
215.08253	1.9
216.05298	7.8
216.10239	4.7
217.02515	6.6
217.06149	11.9
218.06990	1.5
228.06543	2.4
229.05890	11.7
230.03232	2.7
230.07008	4.9
231.07788	13.7
232.08528	5.3
241.06065	3.1
242.03453	1.8
243.02200	1.2
243.04170	18.3
243.07729	5.6
244.04810	14.9
244.09903	13.0
245.09242	8.2
248.09296	3.0
254.06912	1.6
256.04874	6.3
257.05670	20.6
258.06436	7.8
259.07190	45.2
259.10812	7.7
260.09329	1.5
269.09296	2.2
271.07190	23.8
285.08798	6.4
287.10361	70.3
287.13608	2.4
288.08725	5.7
291.09888	14.2
297.04822	1.4
303.09830	1.6
313.08282	85.4
319.12955	1.9
331.09366	30.6
335.08899	1.4
345.10864	8.2
347.16919	2.1
372.52362	1.4
375.08337	13.3
389.09952	2.2
407.10950	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21715	6.1
51.06824	6.5
53.97804	6.2
59.01373	100.0
61.98840	14.2
234.75946	7.7
329.61246	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	405.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09183	0.3
59.01376	100.0
60.60363	0.3
61.98824	0.4
69.93356	0.3
91.03986	0.6
121.65602	0.4
145.96373	0.3
179.16876	0.3
188.85297	0.3
201.49272	0.4
270.14746	0.3
271.22717	2.1
364.24915	0.4
424.00940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75446	0.1
59.01385	0.7
60.50253	0.1
61.98834	0.2
70.51185	0.1
79.19500	0.1
83.57716	0.1
93.03439	0.1
104.56296	0.1
109.02963	0.3
120.04522	0.6
121.02924	0.2
123.04505	0.2
125.02460	0.2
133.88480	0.1
136.07675	0.6
147.07005	0.2
147.66093	0.1
149.02437	1.2
191.05595	0.6
193.99860	0.1
194.02859	0.1
201.07823	0.3
211.06262	0.1
214.05162	0.2
215.09433	0.1
216.10271	0.8
217.08693	1.3
228.06647	2.7
229.07428	24.6
230.07809	0.2
230.58850	0.1
244.09778	100.0
245.10088	1.8
257.30545	0.1
406.15073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52513	0.6
55.01863	1.0
56.56134	0.5
57.03444	0.9
58.00587	0.7
59.01374	79.9
65.43775	0.6
66.42970	0.6
67.46957	0.6
71.01368	26.9
72.99300	2.3
73.02921	5.7
77.74839	0.6
83.01383	1.1
85.02939	8.7
87.00875	0.7
89.02433	29.6
92.10154	1.1
95.01372	3.4
95.04988	0.8
99.04498	2.6
101.02431	11.8
113.02438	9.3
119.03458	6.6
163.11285	7.7
180.83281	0.6
181.12328	46.9
207.10223	0.8
218.30606	0.6
225.11319	100.0
226.11653	0.8
243.12411	1.4
258.56393	0.6
405.17636	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
54.81586	0.8
55.01884	3.6
57.03448	1.2
59.01382	100.0
59.70760	0.7
70.23352	1.0
71.01384	20.0
73.02946	5.0
79.15306	0.9
81.03500	1.4
83.01375	2.1
85.02946	7.8
85.06612	1.6
87.00872	0.9
87.09653	0.9
89.02448	12.1
93.03449	4.2
95.01382	1.7
99.00871	1.4
101.02414	11.3
104.62146	1.0
108.41154	0.9
113.02464	7.7
119.03493	3.7
119.05013	1.6
123.04475	1.7
125.02400	1.1
135.04460	1.6
155.14355	6.7
161.02411	1.2
161.04518	1.3
167.03461	5.7
179.03534	1.3
180.04349	1.6
181.15923	4.4
191.05635	5.0
195.06677	1.9
199.13416	11.3
225.14864	2.0
243.06799	1.1
259.73822	1.1
315.08807	7.7
345.09927	1.7
345.19153	5.6
363.20383	1.3
370.56787	1.1
370.75845	1.1
405.21295	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2125
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01878	1.3
55.54840	0.9
57.03447	11.8
58.00605	2.0
59.01376	100.0
62.40798	0.9
68.01855	1.0
68.96608	0.9
69.34418	1.0
71.01371	45.9
71.01738	1.9
72.99315	2.0
73.02931	4.4
83.01400	1.8
84.44014	0.9
85.02928	15.4
85.22283	0.9
89.02433	54.6
95.01405	2.0
99.00905	1.7
101.02429	22.2
112.05299	2.4
112.24298	1.0
113.02447	17.7
114.35604	1.0
119.03460	17.0
131.03484	1.9
134.07391	2.0
135.08163	4.2
137.09726	1.8
138.22072	1.0
139.07628	7.8
141.66795	1.1
143.03574	1.4
143.04628	1.4
143.68489	1.0
149.04599	1.3
149.09709	40.2
153.09204	25.3
161.04555	7.1
167.10760	44.9
179.05618	6.7
191.05605	2.4
215.42889	1.1
225.14984	2.4
243.16049	9.5
285.25528	1.2
405.21426	2.2
406.73050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44358	2.0
52.33121	1.9
59.01373	100.0
60.66941	2.3
69.73100	2.1
92.10903	2.4
125.13559	2.4
128.32147	2.3
153.85016	2.2
191.05621	3.8
238.15567	2.3
239.77071	2.4
372.58423	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74855	0.5
55.01881	1.0
57.03466	0.8
59.01375	100.0
61.44887	0.6
71.01373	15.3
73.02941	4.2
78.01980	0.6
83.01386	1.5
85.02949	7.0
87.00876	3.3
88.98750	0.7
89.02461	2.4
93.03432	1.3
95.01367	1.1
96.95985	1.5
99.00860	2.4
101.02427	7.7
111.04528	1.3
113.02443	6.0
128.03526	0.8
129.01889	0.7
143.03542	1.1
143.04607	2.5
153.00728	1.2
153.01930	30.0
159.03011	0.7
161.04527	12.3
168.04271	28.4
183.06628	15.7
191.05608	3.9
201.50438	0.6
273.09772	4.8
307.07907	1.1
313.36203	0.7
318.61145	0.8
345.15573	1.5
401.06470	0.7
405.17542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18609	1.9
55.48373	2.1
56.00301	2.4
59.01371	30.9
69.15340	2.5
71.01378	5.8
89.02439	5.6
92.10761	3.1
92.74876	2.8
99.92599	4.5
101.02440	3.5
116.92843	100.0
117.92867	3.2
118.90948	2.6
135.04532	2.5
141.21077	2.5
158.36127	2.5
161.09798	2.7
191.05573	11.5
205.08710	5.7
270.46674	3.0
345.19196	5.0
367.14017	10.7
405.16855	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	405.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68745	2.6
54.40165	2.3
55.16450	2.3
58.70852	2.4
59.01376	50.0
71.01389	7.0
72.29387	2.6
85.40508	2.8
89.02415	6.0
92.10703	3.6
99.92581	4.7
101.02435	3.8
116.92831	100.0
165.79750	3.2
191.05629	5.4
200.57904	3.1
205.08714	5.9
207.11905	2.9
213.37009	3.3
229.15839	3.0
345.19159	6.6
361.95325	3.4
367.14139	13.0
369.15091	4.9
405.16864	15.2
412.00949	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67713	22.0
59.01367	100.0
62.09825	22.6
90.99757	23.8
92.27358	24.0
100.56234	23.0
146.98466	25.5
147.57455	24.9
157.50658	22.4
169.08171	31.5
205.08583	87.8
280.80612	25.7
405.16855	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32177	0.5
59.01375	87.8
59.59064	0.5
60.72673	0.5
61.36459	0.4
61.91551	0.5
66.48265	0.4
71.01376	3.3
73.02958	0.8
75.00852	0.6
77.07737	0.5
84.67763	0.5
85.02960	2.1
89.02428	1.1
101.02400	0.6
113.02419	0.9
115.30952	0.5
125.43255	0.5
142.94608	0.5
153.09148	1.9
161.04611	0.8
165.09201	4.8
183.10239	100.0
191.05548	0.6
197.11871	0.8
243.12361	2.9
273.95575	0.5
279.59634	0.6
281.09329	1.1
311.10352	2.0
329.11694	0.6
333.18906	0.7
345.15573	2.1
348.66150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03940	0.8
53.75163	0.9
54.81414	0.8
55.01875	0.8
58.00584	3.7
58.25558	0.8
59.01376	73.0
61.34996	0.8
69.19581	0.9
70.27599	0.8
71.01373	39.1
72.99293	2.3
77.68567	1.0
83.01358	1.4
85.02946	10.0
87.00880	4.4
88.98783	5.8
89.02425	45.4
89.02962	1.8
95.01443	1.2
96.95988	12.0
101.02425	18.2
109.02955	1.5
113.02415	12.3
119.03487	14.8
121.02930	4.0
131.03487	1.1
138.03159	1.1
149.02428	23.8
177.01913	100.0
179.05533	4.4
190.19806	1.2
191.03918	1.0
191.05595	8.1
192.04265	31.9
195.02979	8.1
207.06651	7.3
210.05319	7.3
225.07690	9.4
293.03687	1.0
387.12888	6.6
388.45316	1.1
405.08051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72476	0.5
52.22243	0.4
59.01375	100.0
59.06939	0.4
60.99311	3.4
69.61918	0.5
71.01382	3.1
78.95908	0.8
85.02977	0.6
88.98789	15.3
89.02450	3.4
96.95986	21.2
98.95582	2.3
101.02447	0.7
110.42550	0.5
122.03696	0.7
122.62257	0.6
128.88850	0.5
135.04500	1.0
136.96327	0.5
153.01942	3.1
153.05550	1.0
154.17290	0.5
155.01686	0.8
168.04257	6.2
173.23773	0.6
179.03500	0.6
183.06590	16.7
185.85179	0.5
191.05745	0.6
236.81905	0.5
240.61926	0.6
255.14735	0.6
323.13483	2.7
345.11581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32005	0.6
52.97156	0.6
55.87649	0.7
57.03449	1.2
57.29969	0.5
59.01382	19.0
64.70744	0.7
71.01373	3.5
73.02911	0.8
81.43413	0.6
85.02917	0.7
85.06547	0.7
89.02445	3.0
93.03437	1.1
93.20235	0.7
101.02400	1.2
113.02447	1.3
127.07615	0.7
143.03697	0.7
148.04114	0.8
150.05611	1.1
159.71301	0.7
160.03957	0.9
181.12328	3.3
183.10231	4.6
183.20848	0.8
183.61391	0.7
191.05565	7.7
197.11749	0.7
199.13387	14.5
225.11243	1.4
226.05122	1.6
227.05893	1.5
227.08195	1.3
228.06631	4.0
237.06714	1.1
238.05138	0.9
238.07278	2.3
239.05714	0.7
239.08093	1.4
240.05339	1.3
241.07413	2.8
243.12357	13.0
250.07834	0.8
252.08969	1.3
253.09796	3.6
255.07756	2.9
255.11354	1.7
256.06073	1.4
256.09818	3.1
257.06772	1.2
258.06375	0.8
263.08200	2.8
265.06302	0.8
265.09793	7.0
266.07037	5.0
267.07693	15.1
267.11356	5.3
268.09714	1.5
269.09235	1.3
273.08804	2.7
275.08249	1.6
278.06995	3.0
279.07620	3.2
280.08453	0.8
281.09290	43.2
281.12350	1.5
282.06332	0.9
283.07336	0.9
283.10779	6.2
285.12531	8.1
286.10779	3.9
292.08783	1.2
293.09332	24.5
295.07269	14.9
296.07993	14.4
297.08585	3.1
301.11966	0.9
311.10373	100.0
312.10669	1.2
328.06973	1.0
329.11444	24.5
345.54303	0.8
373.10217	5.2
405.12738	1.7
405.17587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81606	1.4
59.01383	16.2
69.03454	94.4
69.86211	1.4
71.01374	2.2
78.74911	1.4
79.01871	16.5
80.26623	1.5
81.03474	2.5
83.96705	1.4
85.02998	1.5
92.10143	3.0
93.03434	1.8
95.01380	3.7
97.02929	50.9
107.01376	74.9
107.02074	2.9
108.02180	21.1
109.02949	8.1
113.02475	2.0
121.02942	3.5
121.06583	7.1
123.00861	11.2
125.02422	100.0
125.03345	3.7
133.02916	1.8
136.01636	9.0
137.02443	3.6
149.02483	2.7
151.00356	96.4
153.01913	14.0
163.03981	3.1
177.01866	8.5
197.06096	2.5
198.06783	1.8
199.07620	7.2
201.46371	1.7
220.69347	1.6
242.05841	92.6
243.06587	38.2
252.14452	1.4
285.07703	7.1
297.06140	18.0
405.11929	18.2
421.58096	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	405.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71151	0.3
59.01375	1.3
65.00335	0.4
65.03951	3.3
67.01888	1.2
69.99305	0.2
71.01374	0.6
71.31089	0.3
75.89146	0.2
78.42279	0.2
80.02173	0.3
80.02651	0.6
91.01874	46.9
92.10815	0.4
93.03425	0.5
99.32907	0.3
107.04992	3.5
108.02168	3.7
109.02937	29.0
121.02939	1.5
123.04556	0.5
131.04950	0.2
133.02904	1.0
135.00864	100.0
136.01257	0.5
137.02423	4.8
149.02402	1.2
151.04062	0.3
153.01915	51.3
154.02237	0.4
161.02400	0.4
175.03999	3.0
177.01910	2.4
195.02786	0.3
197.06038	1.3
199.07611	0.4
225.05566	1.2
243.06596	10.4
243.08916	0.5
297.06137	8.8
343.69165	0.3
394.41669	0.3
405.11871	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	405.1189
Annotation	Poliothyrsoside
Peak:m/z	Relative Intensity
50.20178	0.3
53.40422	0.3
59.01378	2.9
59.60068	0.3
65.58164	0.3
71.01387	0.5
93.03422	0.5
108.02145	0.4
120.05276	0.3
121.02935	100.0
122.03278	0.8
123.04508	0.3
135.04514	0.5
137.02448	0.4
139.00398	0.5
147.04446	0.4
149.02435	0.7
161.02391	0.4
163.03978	0.4
175.03918	0.5
176.61113	0.4
190.02641	0.6
191.03500	2.1
191.05579	0.6
203.03395	0.3
204.04106	0.4
219.03023	0.5
263.05576	1.8
283.08081	0.5
308.05350	3.0
405.12274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74599	0.3
57.03432	0.3
59.01373	8.8
71.01368	1.4
73.02940	0.4
85.02943	0.5
89.02374	0.4
93.03436	100.0
94.03764	0.5
108.02195	0.3
113.16641	0.3
119.04990	0.5
121.06575	16.5
135.04535	0.7
136.32278	0.4
137.02422	44.1
139.11247	0.4
161.02429	0.5
174.03200	0.5
176.01022	0.3
183.10216	8.6
185.11829	0.4
191.05579	1.8
192.07814	0.5
197.06000	0.7
198.06822	1.8
199.07625	29.9
200.08003	0.3
201.01894	0.4
201.10863	0.3
216.04213	0.6
242.05734	0.7
243.06592	34.6
244.06891	0.7
245.08176	5.2
269.50443	0.4
273.07709	0.6
303.50339	0.4
377.12469	1.8
392.68939	0.3
405.11884	49.7
406.12299	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01371	13.7
61.98826	0.8
71.01370	15.5
72.86036	0.4
72.99308	0.8
73.02946	2.2
75.00845	1.7
78.91901	0.4
83.01352	0.8
85.02946	2.1
85.85603	0.4
87.00858	24.8
89.02417	0.7
90.19615	0.4
92.46227	0.4
96.95988	2.5
101.02426	1.6
109.02973	1.5
112.98746	0.7
113.02442	1.9
115.00353	55.0
124.10012	0.4
135.02977	0.6
139.99368	2.0
155.01714	0.7
161.04628	0.6
175.02458	100.0
191.05640	2.2
193.05074	2.4
207.06638	0.8
233.04564	2.0
241.56723	0.5
248.22557	0.5
292.93417	0.5
345.11795	1.0
345.15524	1.0
371.24966	0.5
401.89590	0.5
405.06085	0.8
405.17807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74110	0.1
55.84971	0.2
59.01370	0.3
61.55328	0.2
61.97345	0.2
63.93112	0.2
65.03959	0.3
70.26745	0.2
76.17458	0.2
84.81631	0.2
91.01884	5.7
93.03441	54.6
94.03722	0.2
108.02168	9.0
109.02954	1.4
121.02959	0.3
123.00859	2.4
123.04464	0.5
135.00864	5.9
137.02426	100.0
138.02719	0.4
149.31183	0.2
152.01141	6.8
197.06067	0.4
235.60658	0.2
242.64104	0.2
243.06604	27.7
244.06882	0.3
405.12106	1.3
415.52798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Ascleposide A
Peak:m/z	Relative Intensity
55.01875	1.2
57.03449	0.7
58.00592	2.6
59.01375	100.0
66.05202	0.5
67.04668	0.6
71.01369	41.8
71.05011	9.3
72.99304	2.7
73.02917	0.6
83.01351	2.1
84.92892	0.5
85.02942	10.1
87.00845	1.1
89.02430	49.2
95.01356	4.3
99.04490	8.7
101.01813	1.1
101.02425	19.3
111.08131	0.6
113.02441	14.9
119.03480	18.4
128.70538	0.5
131.03452	1.3
143.03459	2.5
149.04454	1.3
161.04549	1.1
163.11307	0.7
179.05623	7.0
179.14366	0.8
181.79422	0.5
191.05606	0.7
223.13396	55.2
403.19696	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84255	16.4
59.01392	24.6
69.56423	19.2
75.48846	16.7
78.95911	89.6
100.45543	17.3
152.99576	100.0
310.44168	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	403.225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81382	31.9
57.98279	37.7
58.70712	39.3
59.01375	81.8
61.67855	41.9
61.98835	44.0
77.35452	40.3
80.36398	38.0
92.10170	100.0
97.86867	46.1
127.85683	41.1
171.74556	44.1
214.15125	43.8
250.11069	50.3
301.70941	46.0
323.68408	43.4
401.56857	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42170	1.7
54.84241	1.9
58.46993	1.8
59.01389	14.2
75.94286	2.1
77.47762	1.9
78.58041	1.8
89.36294	1.8
95.05027	3.6
105.03456	14.3
106.04203	2.6
120.65653	2.0
121.02943	4.7
123.49411	2.3
125.02450	3.7
133.02942	97.2
134.03719	55.5
135.04527	9.6
137.02419	36.9
139.03993	8.4
150.03194	4.1
161.02481	4.6
177.01932	13.9
178.02696	82.4
179.03488	9.3
191.05762	2.5
203.10815	2.4
224.50711	2.4
227.08255	9.2
283.10889	31.1
306.07458	100.0
306.10971	3.8
327.10016	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	403.1606
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
50.82706	1.4
54.81216	2.3
59.01378	82.0
59.33303	1.8
64.28161	1.7
64.88708	1.8
71.01374	22.0
73.02953	5.2
78.95905	12.1
82.30161	1.7
85.02952	16.1
87.00805	2.7
88.01744	2.1
89.02452	8.2
92.10013	2.2
96.96000	28.5
96.96967	3.0
99.69076	2.3
101.02438	15.3
111.00938	2.5
113.02439	3.5
134.04642	2.9
145.06587	3.0
150.06853	9.6
151.07610	9.2
158.92511	2.9
161.04565	3.3
162.06831	18.2
163.07651	19.5
180.07922	48.3
181.08691	47.1
191.05551	9.1
403.16064	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	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03440	1.4
58.00605	1.5
59.01377	100.0
66.49025	0.8
67.05550	1.1
71.01369	43.7
71.01746	1.7
72.99275	1.4
74.59623	0.7
82.62627	0.9
82.95412	1.9
85.02938	9.4
89.02428	48.2
89.02966	2.0
94.64196	1.0
95.01375	2.4
95.45138	0.9
99.04526	8.8
101.02409	21.9
102.98543	1.1
111.04518	1.9
113.02438	13.8
119.03472	17.1
124.05284	4.3
131.03485	1.2
135.11777	3.8
143.03456	1.8
161.04602	2.3
161.09724	2.0
179.05554	5.9
179.10767	40.1
191.05580	2.3
223.09743	77.1
260.69421	1.0
403.16034	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	403.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
57.37506	3.1
59.01375	86.4
61.94670	2.7
71.01379	29.3
72.90676	2.9
75.00861	28.4
85.02967	18.6
87.00861	5.5
87.39658	3.6
87.70400	3.4
89.02442	18.6
93.03459	7.3
101.02442	16.1
109.02971	3.6
113.02432	7.7
119.03529	4.8
122.06092	5.4
123.17725	4.0
132.04538	7.8
135.04512	26.4
148.04089	3.8
158.02371	6.2
160.04057	14.1
161.04601	3.8
162.05562	5.1
172.05350	4.5
173.72122	4.2
175.02724	5.0
176.03545	19.0
179.03564	6.0
181.12357	8.2
183.10362	5.5
187.07655	27.7
190.05057	14.6
191.05606	53.1
192.03055	3.9
192.05855	5.1
193.06065	4.0
196.04401	7.7
199.13478	4.8
202.06363	4.7
204.02921	4.2
212.10818	4.6
223.13335	20.3
224.09438	5.6
227.08261	6.4
231.06677	4.9
231.10165	3.8
237.06107	7.2
239.08336	4.3
239.11896	22.8
241.09914	17.6
253.06143	18.9
255.07797	6.2
255.11337	5.4
257.08099	4.2
267.07678	4.0
268.08594	17.3
271.07285	5.0
281.09232	16.3
283.10864	56.0
287.61011	4.1
294.06390	7.4
306.52347	3.6
309.08829	25.7
327.09811	49.5
331.31137	3.8
341.11600	5.6
359.12082	5.0
371.08652	39.0
385.10391	5.1
393.61908	5.6
402.62241	4.5
403.11398	100.0
403.16077	19.1
403.23813	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83838	1.0
53.02328	1.3
55.21629	1.5
59.01382	23.2
60.17181	1.2
71.01400	6.1
78.20709	1.4
80.05094	1.7
85.02966	1.4
89.02443	2.3
94.20946	1.5
101.02426	2.7
104.05119	1.5
108.04548	1.4
112.53667	1.3
113.02534	1.7
122.06091	13.8
130.02965	2.4
130.52744	1.4
132.04543	33.3
134.17128	1.4
146.02492	1.7
147.03256	3.1
148.04160	2.1
150.05620	5.2
158.02458	14.6
160.04022	13.8
161.04718	1.7
162.05606	6.4
163.11188	1.5
174.05608	3.0
176.03557	15.0
176.07202	5.6
179.10681	1.8
184.07719	2.8
185.07054	1.4
190.05051	24.3
191.05675	7.9
196.11293	2.6
198.04274	2.6
209.07245	2.2
211.08530	1.6
211.12411	6.9
211.71718	1.3
212.05719	5.1
212.10855	6.7
213.06699	1.6
215.11916	8.4
223.08844	8.2
224.07327	4.4
224.09538	25.4
225.08113	2.1
226.07571	5.4
227.08192	7.4
237.10165	1.7
239.08270	2.7
239.11867	39.7
240.10646	11.6
241.09772	17.6
250.07596	2.4
252.05360	2.2
253.06171	35.7
255.07794	6.5
255.11353	9.3
265.09903	7.0
267.07730	9.3
268.08530	14.5
272.12997	1.9
274.60681	1.5
281.09180	14.2
283.10873	87.0
309.08752	27.4
314.19107	1.7
327.09854	72.9
353.07938	2.0
371.08829	100.0
403.11496	49.6
403.16125	4.1
428.13611	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	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04865	1.1
52.79840	1.1
58.64518	1.3
59.01375	5.6
64.27641	1.1
67.01884	1.5
71.01375	5.3
72.99306	1.4
73.02942	2.5
85.02919	14.2
87.00861	40.9
88.98806	2.4
93.03432	14.7
96.95988	6.2
101.02429	2.8
111.00865	1.6
113.02422	2.3
123.00871	1.6
127.04050	2.5
133.02930	1.2
138.03223	1.5
149.02457	1.6
150.03189	7.4
151.00371	1.4
151.03947	2.0
153.05595	1.7
161.02402	8.1
163.03989	15.1
164.04834	8.8
165.05499	7.6
166.02708	6.0
169.35216	1.2
173.02322	1.5
173.04509	7.0
176.04782	9.2
177.01869	3.0
177.05560	1.8
178.06363	13.9
179.03392	9.2
179.07108	21.9
181.05051	2.8
184.97314	1.4
191.03531	14.6
191.05592	100.0
191.07115	5.0
191.88809	1.2
193.05013	5.7
193.08612	1.3
194.05780	6.8
195.97087	1.4
203.03429	3.0
204.04279	2.1
205.05048	8.4
206.05876	6.2
207.06581	2.0
209.08160	6.1
218.05693	1.8
219.02759	2.2
221.04576	2.5
221.08127	4.9
234.05341	2.0
235.06041	1.6
237.07590	2.0
247.02330	5.4
249.07632	2.3
250.04898	2.0
262.04791	7.7
265.07147	34.4
277.07141	22.2
295.08246	37.7
341.10889	1.5
353.46451	1.3
355.10483	10.8
383.09747	2.8
401.05881	2.5
401.10895	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00457	1.8
51.59165	1.4
55.01878	13.9
57.03441	3.1
58.00594	2.3
59.01375	76.5
68.32961	1.6
71.01369	100.0
72.99288	2.0
73.02934	45.8
75.00873	2.9
79.91237	1.7
83.01372	20.7
85.02937	65.0
87.00881	6.9
89.02441	31.2
93.03435	4.1
95.01379	7.2
97.02935	7.7
99.00874	16.6
101.02425	79.3
102.83495	1.6
108.02177	1.9
111.00867	2.0
113.02439	41.1
115.03984	3.5
119.03490	2.9
125.02425	22.3
143.03479	3.6
144.67572	1.9
153.01991	3.2
159.02896	3.3
161.04541	41.6
161.05743	2.7
173.04541	2.5
179.05652	3.1
182.05850	1.9
191.05582	42.2
192.05933	2.0
201.92776	1.8
233.06569	3.1
269.10278	67.4
401.09698	3.2
401.14633	91.5
401.62299	2.1
418.43689	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	401.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10640	0.6
55.49004	0.6
59.01373	100.0
59.32423	0.7
70.66985	0.6
89.02419	1.0
93.03446	0.8
102.05610	1.6
103.55465	0.7
109.52911	0.7
121.02948	7.8
127.01232	0.7
162.18178	0.8
191.05568	4.6
225.05678	0.7
286.51559	0.7
305.24957	1.5
338.89597	0.8
341.10870	1.3
341.26907	4.3
401.08649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.327
Annotation	Di-tert-dodecyl disulfide
Peak:m/z	Relative Intensity
54.81578	5.7
62.86007	5.5
65.05132	5.4
72.99313	9.0
75.00856	84.7
76.34714	5.6
90.37425	7.1
105.53276	6.6
121.02832	6.0
148.59927	5.8
244.80099	6.3
295.75726	6.1
348.17694	6.0
401.32703	100.0
402.76434	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	403.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
57.19252	2.1
58.00591	2.2
59.01376	53.9
68.60242	2.7
71.01374	27.2
73.02953	3.9
75.00871	15.1
85.02953	12.5
87.00842	12.4
89.02415	20.6
90.35476	2.5
93.03450	13.5
101.02428	6.9
109.02949	3.6
109.67033	3.1
113.02441	3.2
119.03475	4.4
122.06121	13.8
125.02378	3.1
129.01886	3.2
132.04517	19.0
133.02940	2.8
135.04489	5.9
147.03235	5.3
148.04007	3.6
158.02460	5.2
160.03987	12.3
162.05580	4.4
164.68732	3.0
175.02777	4.9
176.03572	15.8
179.05544	3.3
181.12335	10.6
187.07576	18.1
190.05026	12.6
191.05597	37.3
192.05974	5.3
197.11797	3.5
204.02971	4.4
211.12378	4.9
223.13419	16.0
224.09567	5.8
226.07344	3.1
227.08221	10.3
231.06662	3.8
231.10173	3.5
239.11862	24.9
240.10379	3.4
241.10429	5.7
253.06226	20.6
253.09602	3.9
255.07646	4.3
255.11366	10.6
266.55441	2.7
267.07803	3.5
268.08499	10.5
269.09302	4.3
281.09290	6.0
283.10846	45.9
294.06567	4.1
309.08817	29.2
327.09924	42.1
341.11295	5.5
353.07947	3.3
359.11798	4.0
371.08865	38.6
403.11386	100.0
403.15897	10.2
404.11502	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	42.8
61.92216	3.4
67.01867	3.8
71.01377	38.3
72.99273	6.2
73.96439	3.6
75.00854	29.5
78.90736	3.9
78.95925	4.4
81.78634	3.6
85.02941	49.3
87.00869	19.8
89.02434	20.7
93.03401	6.2
95.01372	4.4
96.96926	5.1
99.00858	14.4
107.05000	16.3
108.02180	14.8
109.02920	16.1
113.02461	32.6
117.01917	4.6
121.02976	5.0
133.02914	8.1
151.04041	28.0
152.01141	5.4
153.01877	19.5
177.01910	4.5
191.05609	31.3
200.02031	4.1
229.01494	4.4
249.06163	26.4
254.11542	3.5
267.07181	45.2
341.11020	5.9
401.10788	100.0
413.70517	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81861	0.6
57.03464	0.5
59.01379	9.3
61.98816	1.6
68.27647	0.6
71.01377	5.0
71.65997	0.6
73.02941	7.3
74.79207	0.5
81.03461	0.8
83.01389	1.2
85.02943	6.9
87.00848	1.0
89.02442	4.1
93.03451	4.2
95.01366	1.1
96.96021	1.2
101.02441	3.9
103.03982	2.8
108.02163	55.1
109.02943	100.0
113.02440	2.9
121.02919	0.8
123.00890	0.7
123.04475	1.5
135.04504	0.9
149.06047	0.7
152.01141	47.4
153.01932	58.8
155.03685	0.6
167.07101	8.8
173.04524	1.1
189.01913	0.8
191.05597	18.2
192.05962	0.8
193.08635	1.4
221.08211	1.0
229.01376	0.6
245.88167	0.7
304.64444	0.7
315.06549	0.8
329.12433	6.1
341.06873	1.0
341.10806	1.1
383.09381	1.1
383.13599	14.1
401.10892	59.2
402.10989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98824	5.5
67.01890	0.5
68.99168	0.2
70.43282	0.2
70.46483	0.2
71.01375	1.0
85.02939	7.9
85.62035	0.2
87.00854	1.9
93.03440	5.4
93.54876	0.2
99.04510	0.4
109.02946	1.2
111.04518	1.4
111.77406	0.2
115.04012	0.2
118.20467	0.2
119.05023	1.0
127.04021	2.1
133.02948	0.3
137.02357	0.3
145.02910	1.1
155.03485	0.3
163.03989	1.0
171.02962	0.4
173.04468	2.1
191.05600	100.0
192.05936	1.8
192.82022	0.2
204.11743	0.2
204.30615	0.2
229.01370	0.5
265.52936	0.2
319.06400	0.4
337.09296	11.5
359.24716	0.3
400.10794	0.4
419.49359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68790	0.8
65.00337	1.7
77.03967	5.4
79.01901	1.6
93.03456	5.5
96.32783	0.8
105.03463	1.4
107.01423	1.5
109.02985	0.9
109.78347	1.1
112.65264	0.8
112.81586	0.9
113.64363	0.9
117.03442	25.8
119.04994	1.8
121.02934	7.3
125.02406	1.2
133.02885	1.2
135.04500	7.6
136.98209	1.0
147.04471	1.3
149.02415	4.9
151.00410	1.5
159.04543	6.4
161.02429	15.3
163.00374	6.2
163.04036	8.0
165.01935	4.2
175.03964	1.5
177.01906	2.0
179.03433	1.4
185.02426	1.1
191.03506	1.2
191.05583	1.8
203.03427	1.8
208.95248	1.2
210.03851	0.9
225.05539	1.8
239.07114	4.1
240.04247	1.0
253.05031	3.4
254.05774	1.0
267.03113	1.0
268.03690	11.3
269.04556	18.6
281.04538	25.2
282.05325	20.5
283.06097	76.8
284.06528	1.2
293.04544	2.1
295.06070	11.4
308.03366	1.6
309.04160	1.0
311.05612	100.0
314.04355	3.7
323.05606	18.8
341.06668	59.6
353.06573	1.2
365.06653	1.7
383.07907	7.1
401.08789	85.2
402.08990	1.2
404.15356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.1
57.10896	1.0
59.01375	27.4
64.38042	1.0
66.82366	1.0
71.01370	100.0
72.99294	36.5
73.02927	4.2
78.95901	5.4
83.01337	1.1
85.02956	5.3
87.00861	53.5
88.98804	5.6
89.02433	4.7
92.10152	1.4
95.28533	1.3
96.95996	36.7
96.96965	8.0
101.02413	8.3
112.15598	1.3
113.02444	4.5
115.00347	26.7
129.01945	6.1
133.01407	1.9
134.50937	1.2
147.02983	65.4
147.04156	2.1
161.04533	1.6
179.05850	1.3
185.87286	1.2
191.05621	4.6
194.02914	1.3
207.08728	10.2
225.94334	1.4
339.12936	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39048	3.5
54.82098	4.2
55.14396	3.3
59.01377	16.8
60.18465	3.8
64.33768	5.0
75.87462	3.7
92.10831	17.4
94.03826	3.7
118.33253	3.6
156.35439	3.7
163.11334	31.4
194.42117	4.2
224.28679	3.9
339.23309	100.0
402.52554	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	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60242	15.2
55.33825	16.0
59.01381	100.0
61.98823	16.6
64.33405	15.7
82.44653	19.1
87.91250	18.1
91.28380	16.4
105.59897	17.1
108.35088	18.3
113.85588	17.6
255.45287	18.2
289.83728	19.9
359.67133	19.7
392.56543	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	400.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
74.55093	0.4
87.00841	0.4
89.34926	0.3
93.78984	0.3
99.00872	1.8
99.29562	0.3
109.02918	0.4
115.00354	2.1
133.02850	0.4
139.00342	0.5
149.06061	3.1
153.72899	0.3
161.02426	4.1
165.01859	0.5
175.02426	1.8
175.03836	0.5
177.01970	2.8
179.40967	0.3
187.04242	0.4
191.05597	0.7
219.02910	0.5
233.04536	3.1
236.84651	0.4
277.03510	6.3
293.06488	0.4
300.79645	0.4
319.04532	2.6
337.05746	2.8
400.05090	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	400.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
61.98824	89.0
64.28129	0.7
67.01888	4.6
69.03452	1.0
71.01382	1.4
74.20261	0.7
75.55116	0.6
78.32147	0.8
81.03436	1.1
85.02940	7.9
87.00871	7.0
92.63446	0.6
93.03439	27.0
95.58165	0.7
109.02954	3.9
111.04514	4.1
119.05019	11.0
121.03146	0.8
137.02409	1.1
145.02939	1.1
153.01881	3.3
155.03490	1.0
163.04037	9.0
173.04518	17.7
173.26657	0.7
191.05600	100.0
217.70534	0.7
246.52727	0.9
263.66492	0.7
268.83890	0.7
297.06851	1.0
337.09256	18.2
401.11261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47236	7.0
54.23076	8.1
56.32141	8.2
67.03658	6.7
67.53271	7.0
85.10322	8.5
97.73949	8.1
127.93626	8.7
140.94455	9.9
188.99017	8.7
259.57578	8.5
288.47495	8.5
299.20114	100.0
421.53564	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	397.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08656	53.7
59.90319	58.1
61.98814	100.0
67.73543	66.8
75.91117	70.5
77.85944	57.6
80.50217	63.0
86.25259	63.6
89.72680	59.9
121.65439	63.5
191.29076	69.3
375.94321	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66169	0.6
59.01377	1.1
59.80889	0.6
61.98824	82.1
64.01913	10.1
65.99861	1.1
67.01883	0.8
71.01387	0.9
73.02932	1.2
82.15451	0.7
83.05027	1.5
85.02946	8.4
87.00867	2.7
92.10751	1.0
93.03442	14.2
95.01379	1.0
96.95996	2.9
105.66086	0.7
107.01373	5.1
111.04506	5.0
127.03981	3.7
129.01817	0.7
133.02936	6.6
134.03673	3.7
135.04504	100.0
137.02428	8.2
137.31682	0.8
150.01982	1.1
155.03448	1.7
161.02423	25.0
173.04530	1.6
176.01106	0.9
179.03481	69.9
191.05598	49.9
191.26106	0.9
206.00941	23.9
212.90819	0.8
224.01871	1.1
255.82091	0.8
276.26715	0.8
280.30838	0.7
335.07709	53.0
335.70050	0.8
398.07169	7.9
416.80887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37337	0.1
59.01374	0.9
61.98815	0.3
62.26601	0.1
67.78217	0.1
71.01353	0.2
78.95891	4.0
79.95737	1.6
81.88648	0.2
82.74617	0.2
85.02932	0.3
88.98786	0.4
89.02431	0.8
96.95991	100.0
96.96877	5.9
101.02431	0.3
110.83649	0.2
111.30070	0.2
115.24397	0.2
123.00887	0.2
124.01631	0.3
139.03979	1.8
148.12729	0.2
160.64917	0.2
191.05598	2.1
230.97093	0.2
266.10898	0.2
301.09155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70838	0.2
59.01376	3.1
60.01712	0.3
61.01794	0.5
61.98825	100.0
106.89507	0.2
214.91171	0.2
333.26343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20000	0.3
57.03463	2.5
59.01377	6.5
59.09979	0.5
69.03444	0.7
71.01372	10.2
72.99300	1.0
73.02927	0.7
83.01405	2.4
85.02937	12.3
87.00851	6.5
89.02431	0.8
93.03432	4.0
96.95974	1.0
97.02943	0.8
97.08612	0.5
98.95570	1.8
99.00859	8.1
101.02437	2.6
109.02937	0.8
111.00869	3.6
111.04516	1.0
112.97995	1.0
112.98792	21.5
113.02448	2.3
115.00333	1.0
115.04017	0.5
118.40035	0.6
124.98770	0.7
127.04002	2.8
129.01883	3.4
130.08719	0.9
141.01909	0.6
142.99843	13.2
147.04839	0.8
159.02975	7.7
173.00885	18.4
173.04465	1.0
189.04195	0.5
191.05598	100.0
192.05949	0.7
240.94255	0.5
271.28909	0.5
400.60880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25358	0.2
57.03441	0.4
59.01363	1.8
62.11288	0.2
62.52947	0.2
67.01886	0.9
71.01378	2.3
72.99301	0.4
73.02941	0.9
78.07163	0.2
83.01346	0.2
83.05019	0.3
85.02940	11.4
87.00862	3.5
93.03436	3.8
96.96939	0.5
98.90104	0.2
99.00895	0.5
103.63741	0.3
104.44696	0.3
109.02962	0.6
111.00868	9.4
111.01590	0.4
111.04502	1.4
112.98807	2.3
127.03984	3.0
129.01881	0.4
137.02379	0.2
142.99841	1.9
143.03439	0.4
171.02872	0.8
173.00861	3.0
173.04526	1.6
191.05600	100.0
192.05879	0.4
205.03540	1.2
277.31125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03464	1.6
59.01380	4.1
69.03466	1.8
71.01377	5.3
72.99316	0.7
73.02950	1.6
78.95895	0.3
83.01395	0.9
83.05000	0.4
85.02944	13.3
87.00857	5.9
89.02415	0.5
93.03452	3.3
96.96003	1.9
97.02966	0.7
99.00864	4.4
99.04531	0.5
101.02457	1.9
111.00866	1.5
111.04535	1.7
112.98805	11.6
113.02452	2.0
115.03999	0.9
124.98851	0.5
127.04009	2.9
129.01944	1.7
130.08754	0.9
131.03502	0.4
133.05063	0.7
141.01936	0.9
142.99852	6.5
159.02986	8.1
171.02940	0.8
173.00883	8.2
173.04526	0.6
189.04082	0.6
191.05606	100.0
234.54552	0.4
268.94034	0.4
366.77213	0.5
399.35428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60837	1.0
55.01890	1.9
57.03472	1.3
58.56760	1.4
59.01381	70.8
66.45596	1.0
71.01377	31.4
72.99320	2.9
73.02950	4.7
83.01378	4.6
84.99202	1.4
85.02943	9.9
87.00885	5.5
89.02430	16.9
89.48727	1.2
89.98843	1.2
95.01394	1.5
96.95994	23.4
99.00893	6.3
101.02428	12.1
109.02908	11.6
113.02470	9.5
115.00340	12.2
119.03469	7.1
119.05027	1.9
121.06581	1.7
123.04510	1.3
125.02419	1.8
129.07088	34.8
133.02983	1.9
135.04527	4.7
145.03003	1.5
145.06578	41.1
147.04512	8.5
147.08214	1.3
148.05324	2.3
149.06065	74.4
161.02454	17.7
163.04041	1.9
165.05502	4.8
173.06052	100.0
175.02466	6.9
175.03998	14.2
177.01917	11.0
178.65816	1.3
189.05569	8.8
191.03624	11.4
191.05525	10.2
193.05016	9.5
193.93021	1.4
203.07237	1.2
206.02197	2.1
217.05038	10.1
219.02989	16.6
233.04515	11.0
233.06741	1.4
237.04024	23.0
277.03558	8.3
293.06741	7.0
337.05664	31.0
353.12222	2.3
397.11417	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34980	8.7
53.26969	8.8
53.44417	7.2
59.01375	100.0
64.76112	9.8
71.35371	10.4
73.55422	10.1
102.41798	9.6
142.34505	9.6
151.00061	10.6
178.90886	10.3
191.05472	13.2
259.77078	11.2
283.02301	12.5
298.04785	14.9
302.66135	10.9
311.08231	9.9
313.06995	13.5
329.67725	10.9
372.99518	10.5
393.23618	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	395.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57553	0.8
59.01366	13.1
60.82338	0.7
61.00963	0.8
61.98824	1.3
67.01901	0.8
71.01382	3.5
81.03411	0.8
82.95406	22.4
84.95128	0.9
85.02927	17.0
87.00883	3.8
87.04514	1.3
87.57009	0.9
88.98812	3.3
89.02454	1.7
93.03447	5.7
96.96010	3.4
99.04559	0.9
101.02468	1.0
105.03448	1.0
109.02911	1.6
111.04537	1.8
113.02452	1.0
127.03979	3.9
133.02966	3.3
135.04520	2.9
155.07141	0.9
161.02472	0.8
161.04471	0.9
166.87184	0.8
171.10307	0.9
173.04538	1.6
177.01913	16.8
191.05594	100.0
192.05922	1.7
203.85748	0.9
215.09204	1.5
220.98883	0.9
221.00896	26.2
375.06543	0.9
395.06021	14.2
395.15503	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	395.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37679	0.4
57.03458	5.1
59.01382	2.4
69.03450	12.0
71.01378	0.6
73.02930	0.7
78.95882	0.9
85.02930	10.5
87.00862	100.0
95.01356	0.5
96.95998	8.7
96.96936	2.4
98.95569	6.6
98.96207	0.6
98.96419	0.6
101.02420	6.4
111.00870	4.9
112.01655	2.0
113.02439	13.6
115.92052	0.7
116.92844	0.6
129.01901	2.5
135.04478	2.2
143.03494	4.6
145.04068	1.9
157.01419	9.1
161.04555	5.9
189.04034	50.1
191.11479	0.5
351.40167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
57.03435	1.4
59.01372	9.5
61.98822	1.0
63.88335	0.6
69.03445	2.6
71.01034	0.6
71.01375	6.7
71.05007	1.1
73.02911	0.9
73.67021	0.5
75.00848	0.8
79.39790	0.5
81.23719	0.6
83.01373	15.4
85.02936	2.7
87.00864	9.9
87.04510	4.5
93.03432	1.0
97.06614	0.7
99.00873	4.9
109.02903	0.7
111.00875	11.3
112.98801	5.0
113.02377	1.2
113.09696	1.4
115.00323	1.3
115.07611	1.1
119.05013	29.8
119.65529	0.8
125.09727	0.7
127.00336	2.7
129.01884	3.8
133.02896	1.2
135.04515	1.0
142.01668	4.6
145.01349	3.6
147.02933	2.8
154.99806	5.4
155.10751	1.5
163.04022	12.4
167.10730	1.5
185.11818	100.0
186.12178	1.0
191.03598	0.7
191.05481	1.3
199.13416	6.1
227.12769	2.8
230.03133	1.2
285.04047	10.9
286.04086	1.0
298.30417	0.7
313.12811	3.2
341.12128	2.8
375.63177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83246	0.2
53.13717	0.2
53.78882	0.2
58.00591	0.3
59.01375	100.0
59.16197	0.2
62.03321	0.2
71.01373	7.7
72.99319	0.3
85.02932	2.0
87.00862	0.6
89.02435	9.2
89.76286	0.3
93.03454	1.0
95.01378	0.3
101.02428	2.7
113.02406	2.5
119.03466	3.9
119.04994	0.3
135.04462	0.5
143.03448	0.5
143.10748	1.1
161.04491	0.4
166.18970	0.3
173.04526	0.3
177.01945	0.3
179.05618	2.3
191.05612	3.3
223.02419	0.3
259.82452	0.3
276.85449	0.3
294.68292	0.3
330.94016	0.3
393.17719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
65.28800	0.3
67.90051	0.3
71.01369	7.1
74.45267	0.4
81.64432	0.3
85.02974	1.4
89.02433	9.8
92.10193	0.9
93.03431	0.4
101.02431	2.6
113.02440	2.7
119.03472	3.2
137.70313	0.4
173.04550	0.5
177.02074	0.4
179.05597	2.1
191.05577	3.2
321.65445	0.5
392.82330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55588	0.3
55.82209	0.3
57.03439	0.3
59.01374	100.0
59.10636	0.3
60.99289	0.3
68.40562	0.3
69.57233	0.3
71.01363	3.8
73.02925	1.2
80.88132	0.3
85.02930	2.6
88.98785	3.7
89.02425	0.6
93.03443	2.0
101.02409	2.9
113.02442	2.4
115.12774	0.3
136.63193	0.3
161.04546	4.7
173.04550	0.5
191.05562	3.2
232.26628	0.3
270.29517	0.3
306.28857	0.3
332.18011	0.4
333.19199	6.4
357.82889	0.3
393.62137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.88096	0.4
59.01373	100.0
64.65160	0.4
67.67782	0.4
71.01357	5.2
73.02929	2.2
79.60275	0.4
83.01376	0.7
85.02921	2.9
89.02439	1.5
92.10844	0.9
93.03456	1.4
99.00867	0.5
101.02430	4.5
113.02420	1.9
119.03494	0.7
131.54416	0.4
161.04538	2.3
173.04630	0.5
183.04233	0.5
191.05586	4.0
212.46957	0.4
216.04213	0.9
333.19193	11.0
393.20844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	0.2
59.01376	1.9
61.86914	0.2
61.98837	0.4
68.99578	0.3
71.01368	1.0
72.99281	0.2
78.95892	9.0
79.95721	1.5
87.00876	0.2
89.02434	0.4
94.68678	0.2
96.95992	100.0
96.96909	14.1
98.95567	5.9
98.96412	0.4
101.02418	2.6
108.94043	0.2
111.00832	0.3
113.72325	0.2
125.69102	0.2
134.80740	0.2
181.07155	0.4
187.02446	0.4
202.18733	0.2
295.10364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27683	1.4
59.01374	100.0
61.29544	1.4
61.98841	2.7
64.07400	1.3
67.18986	1.3
71.01374	18.1
73.02951	2.4
73.09384	1.4
80.91685	3.2
82.95435	7.2
85.02966	9.2
87.00869	3.3
89.02430	5.8
93.03491	2.2
96.96001	21.4
99.00898	2.3
101.02447	7.9
108.02154	1.6
109.02940	1.8
113.02464	9.1
123.00871	14.6
124.01645	10.4
125.02468	14.9
135.04558	2.5
138.03215	7.7
139.04019	8.1
161.04530	17.6
173.04485	2.0
191.05594	9.3
192.05930	2.0
193.06067	2.3
229.30070	1.5
301.09171	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09249	0.7
54.43285	0.7
55.01861	1.2
55.82025	0.7
57.03445	1.1
59.01377	100.0
60.01710	0.8
61.98828	0.8
64.14559	0.9
67.01858	1.0
69.03473	1.4
71.01370	48.5
72.99308	4.2
73.02928	8.2
74.51032	0.9
81.03448	0.9
83.01386	4.2
85.02941	13.4
86.00102	1.1
87.00863	9.3
89.02428	62.3
93.03442	12.5
97.06583	0.9
99.00864	1.0
101.02428	24.4
109.02974	1.5
111.04539	1.1
113.02438	8.8
115.03963	0.9
118.98061	1.0
119.03482	5.7
123.04493	2.2
125.02415	1.4
129.01932	1.1
131.03485	26.6
135.04504	12.0
137.02425	1.0
143.03427	1.3
145.40686	0.8
149.04538	29.7
161.04553	1.7
171.10204	11.1
173.04535	7.1
187.07513	1.2
191.05600	37.9
229.08623	3.6
261.13272	0.9
273.04465	1.9
279.10168	0.9
352.75339	0.9
393.12286	1.8
393.17334	5.6
393.62503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67347	0.2
53.33565	0.2
55.01866	0.3
59.01382	100.0
64.00493	0.2
71.01380	3.6
73.02925	0.4
83.01385	0.3
85.02956	1.5
86.10857	0.2
87.00864	0.2
87.69753	0.2
89.02441	3.9
92.10809	0.7
99.00884	0.2
101.02429	2.3
112.30585	0.2
113.02455	2.2
119.03471	2.3
143.03534	0.2
161.04581	1.7
179.05602	1.3
191.05563	0.5
285.30627	0.3
304.49362	0.2
331.17676	1.1
391.20276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01377	2.4
85.02936	0.6
101.02432	0.9
104.19609	0.4
107.16913	0.5
113.02455	0.8
124.46944	0.5
145.87186	0.5
161.04517	0.9
206.18150	0.5
229.05263	0.6
236.84323	0.5
263.59167	0.6
331.17618	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07027	0.2
54.27536	0.3
54.61379	0.2
57.03455	0.5
58.24371	0.2
59.01375	5.9
71.01372	3.4
71.24411	0.3
73.02956	1.1
73.46313	0.2
79.55447	0.2
82.72379	0.2
85.02941	1.1
89.02430	2.8
101.02423	3.0
111.08144	1.5
119.03472	0.3
163.06134	0.6
165.12822	19.3
181.07147	9.6
181.08658	0.4
183.13879	100.0
184.14189	2.2
185.14571	0.4
191.05609	1.5
209.11812	2.6
224.25826	0.3
227.12875	39.5
228.13229	1.1
229.13461	1.1
391.19733	32.5
392.19913	0.5
392.24710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59870	10.1
54.49818	12.2
59.01377	100.0
61.98848	13.3
65.94356	10.4
67.50843	11.4
71.45225	11.8
77.87679	12.2
79.63057	12.3
85.88083	12.5
108.64111	11.6
119.65186	12.0
134.46222	11.8
144.94124	12.9
151.88057	11.0
153.67871	11.4
173.58716	13.1
191.05537	57.4
220.35800	11.7
394.01422	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	393.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90471	0.2
59.01379	1.6
69.88707	0.2
71.01375	1.2
72.99317	0.3
73.02929	0.3
78.95481	0.2
78.95884	1.5
79.95730	1.2
85.02946	0.2
89.02420	1.5
96.95990	100.0
98.95589	3.0
101.02419	1.5
117.75245	0.2
181.07161	8.5
182.07314	0.2
255.26408	0.2
419.23215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34612	0.2
53.46891	0.2
57.03461	0.2
59.01376	1.3
71.01379	0.3
75.02256	0.2
77.90711	0.2
78.95889	8.0
79.95745	1.8
81.91708	0.2
83.62265	0.3
89.02450	0.4
91.77035	0.3
96.95992	100.0
96.96909	14.3
98.95577	5.6
98.96418	1.1
101.02419	1.1
110.92977	0.2
119.03474	0.4
151.32767	0.3
295.10263	1.2
343.49155	0.3
355.20251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74973	0.2
57.27966	0.2
57.61995	0.2
59.01385	1.8
60.99314	0.2
71.01381	1.0
72.99331	0.2
74.77325	0.2
75.40234	0.2
76.34307	0.2
78.95893	4.0
79.95724	1.0
81.22491	0.2
88.98801	1.9
89.02441	1.5
96.95996	100.0
96.96880	5.8
101.02419	0.3
119.03445	0.4
121.02939	0.3
173.04562	0.2
179.05545	1.2
191.05611	0.5
233.62433	0.3
271.30130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68311	0.4
50.94892	0.4
55.86457	0.4
55.96990	0.5
57.03442	0.5
59.01377	100.0
60.01716	0.4
70.97222	0.4
71.01377	9.4
73.02932	2.8
73.34736	0.4
76.55544	0.5
83.01366	0.5
85.02940	4.6
87.00864	0.8
89.02436	5.5
93.03435	0.6
95.01321	0.8
101.02432	6.1
113.02437	4.1
119.03471	1.1
132.02159	4.2
134.03743	4.5
143.04982	0.6
149.06035	0.6
151.07690	0.6
160.01654	32.5
161.04507	2.0
161.13289	0.5
169.08694	25.7
175.03998	45.6
176.04591	0.5
179.05670	0.6
184.02698	0.6
185.06035	2.6
187.13316	1.2
191.05574	5.4
193.05058	6.3
193.08684	1.1
211.09698	0.9
217.04973	2.5
235.06108	0.8
331.17535	2.3
349.18661	3.3
355.10324	16.9
405.84543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03445	1.9
58.00594	0.6
59.01375	100.0
60.87793	0.5
61.73774	0.4
69.03443	0.6
71.00977	0.9
71.01369	23.0
72.99290	1.7
73.02932	13.0
83.01373	4.1
85.02934	7.6
87.00873	1.8
87.04507	2.0
89.02426	11.9
95.01374	2.2
96.96007	0.6
99.00838	1.6
100.34465	0.4
101.02424	16.8
101.36864	0.5
113.02431	12.9
119.03506	4.1
149.04509	0.6
160.01630	0.7
161.04518	4.3
169.08617	0.5
175.03964	1.0
179.05597	0.5
185.11766	0.8
187.13319	6.0
191.05669	5.0
210.24110	0.5
252.71640	0.5
299.24591	0.5
331.13965	0.6
331.17587	6.9
349.18677	11.5
353.54828	0.5
391.19635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74263	0.6
54.01971	0.6
55.01884	0.8
56.24062	0.6
57.03453	1.3
59.01374	100.0
66.10434	0.7
69.18208	0.7
71.01372	17.6
71.74210	0.7
72.99291	1.0
73.02921	9.1
80.19131	0.7
83.01404	1.7
85.02948	9.7
86.91120	0.7
87.00866	1.1
89.02431	15.6
92.10840	2.3
93.03461	5.4
95.01392	1.1
99.00874	0.9
101.02420	16.6
113.02435	8.1
119.03504	6.9
133.58850	0.9
135.04495	3.5
143.03468	1.2
147.38087	0.7
158.53027	0.9
161.02419	0.9
161.04524	3.4
173.04480	1.5
179.05571	1.1
187.13382	5.0
191.05592	42.9
192.05981	1.6
193.06033	1.3
282.36163	0.7
292.78329	0.9
331.17624	1.2
349.18677	13.7
353.08704	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	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77369	0.5
52.33889	0.6
55.01887	1.6
57.03450	0.7
58.00610	1.1
59.01375	100.0
61.02095	0.6
62.97596	0.5
68.87820	0.5
69.64576	0.5
71.01371	26.0
71.01734	1.1
72.99331	0.6
73.02928	9.7
83.01385	3.2
84.95126	2.7
85.02938	11.9
87.00887	0.7
89.02429	8.5
91.13693	0.7
95.01408	1.6
95.23814	0.7
99.00857	2.6
101.02425	16.8
101.82279	0.6
102.13448	0.6
107.71384	0.6
111.00848	0.7
113.02436	9.0
113.10627	0.5
115.71485	0.6
119.03500	3.0
121.12407	0.6
124.01717	0.9
125.02406	1.1
128.93814	0.6
132.28886	0.6
140.56784	0.6
144.46704	0.6
161.04532	7.8
185.11848	0.9
191.05614	4.4
197.03856	0.6
203.71646	0.6
232.03215	0.7
256.03763	1.0
270.98364	0.7
271.06039	0.8
293.42200	0.8
326.08105	0.8
329.16016	1.2
338.96368	0.8
347.17093	23.3
359.11444	3.1
374.14026	2.5
389.16406	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	389.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	33.4
72.39880	13.2
72.81659	13.8
75.67434	14.9
78.90113	13.9
80.92271	14.1
98.28812	17.2
105.30631	15.4
116.32751	17.7
134.57349	15.9
141.01300	14.5
185.80597	14.3
191.05571	100.0
264.14105	16.6
315.38776	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	389.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89085	6.1
59.01374	77.9
59.50903	8.1
61.86296	7.3
61.98837	19.7
62.92343	6.9
65.91870	9.3
74.73341	7.6
78.79680	7.2
80.96504	20.0
82.95413	8.8
84.54337	8.0
92.10836	24.1
104.60694	9.5
135.63033	8.7
191.05603	100.0
197.11795	11.8
218.83568	8.6
221.29741	10.3
234.42357	9.7
255.23317	20.2
343.28558	10.7
389.19376	15.1
389.69553	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.25806	0.2
61.72716	0.2
61.98830	100.0
73.23785	0.2
120.01186	0.2
135.75008	0.2
140.43648	0.3
161.36026	0.2
183.48907	0.2
184.14296	0.2
191.05579	0.9
230.89162	0.4
304.45599	0.2
314.18057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50217	0.2
59.01383	0.5
59.27335	0.2
69.03448	0.5
78.95893	10.8
79.95719	1.9
89.02402	0.3
93.03450	1.3
96.95995	100.0
96.96915	15.7
98.95576	3.0
98.96362	0.8
111.00893	1.7
111.04476	0.2
155.03680	0.2
173.04453	0.4
178.02675	1.3
181.05109	0.3
184.98582	3.1
191.05600	4.0
193.05011	0.4
217.05212	0.3
240.72659	0.3
256.26505	0.3
277.18280	0.3
293.08618	0.4
391.10818	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	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.12008	0.3
57.03458	0.6
58.00579	0.3
59.01379	8.3
64.56210	0.3
69.03453	0.3
69.60062	0.3
70.22246	0.2
71.01382	3.2
85.02957	1.4
89.02419	3.2
89.79361	0.3
92.10197	0.4
101.02463	1.3
110.05528	0.3
111.08155	1.8
113.02440	3.0
119.03493	0.4
141.98566	0.3
161.04488	0.4
165.12825	23.6
167.14357	0.3
168.00372	0.3
179.05719	0.3
181.12273	0.5
183.13884	100.0
184.14259	1.6
191.05659	0.3
197.15414	2.5
207.13924	1.8
209.11830	2.9
225.14960	1.8
227.12881	74.0
228.13193	0.6
251.12920	2.1
262.33047	0.3
269.13898	1.1
301.98779	0.3
389.18085	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69686	0.4
51.71727	0.4
51.76743	0.4
53.17580	0.5
55.01888	0.9
57.03452	0.9
58.87056	0.5
59.01373	100.0
60.99299	0.8
67.01877	1.2
69.03444	4.9
71.01369	13.1
72.99348	0.5
73.02933	3.7
78.45834	0.6
79.01844	0.6
81.03469	1.2
83.01398	2.2
83.05026	0.8
85.02941	10.2
86.00137	0.5
87.00870	3.2
89.02422	8.0
91.05517	0.5
93.03443	18.4
94.62390	0.5
95.01382	1.1
97.02939	3.6
99.00850	1.3
101.02415	8.7
107.01387	7.8
107.05018	1.1
109.02949	1.3
111.04489	4.2
113.02420	4.7
119.03512	2.7
121.03025	0.6
123.00882	0.6
125.02425	9.3
127.04021	1.1
131.59969	0.6
133.02956	1.3
135.00877	7.2
135.04492	21.7
136.01682	0.7
137.02419	0.8
149.02412	0.7
149.09743	0.8
151.00342	8.7
152.61064	0.5
153.01848	1.1
155.03465	0.8
156.91006	0.5
161.02483	0.7
161.04539	3.0
162.65932	0.6
163.04082	0.8
166.02686	57.4
167.03468	9.9
173.04527	26.3
173.06039	0.7
177.01915	1.0
179.02147	0.6
179.03484	5.4
179.05588	0.7
191.05595	59.7
192.06003	0.7
209.04506	0.7
215.99126	0.5
329.08759	24.2
329.15829	4.2
352.53485	0.6
353.08768	20.9
389.06693	3.4
389.18170	50.2
390.18439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67201	0.7
59.01376	71.6
59.07185	0.7
60.99321	0.9
63.41952	0.7
67.01900	4.7
68.08401	0.7
69.03457	3.3
71.01365	10.7
73.02934	1.7
85.02936	12.0
87.00853	6.7
89.02423	9.0
92.06499	0.9
93.03441	25.2
95.01372	0.8
97.02938	1.5
101.02454	4.9
101.95167	0.7
107.01379	7.4
107.92717	0.9
111.04509	3.7
113.02435	3.6
119.03480	1.8
121.58378	0.8
125.02423	9.1
127.04017	1.7
133.02951	1.1
134.03714	0.9
135.00887	7.0
135.04503	24.7
151.00311	8.5
153.01909	1.0
161.02460	3.5
161.04539	4.0
166.02696	51.6
167.03458	7.2
173.04524	24.2
175.18192	0.9
177.02003	0.9
178.13507	0.9
179.03482	6.4
179.05511	1.3
191.05598	100.0
213.09091	0.8
221.42938	0.8
230.50337	0.7
329.08749	18.8
329.15955	7.7
350.07776	1.1
353.08786	28.0
389.06497	3.7
389.18091	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	389.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81804	0.5
59.01373	46.8
60.87552	0.6
67.01885	2.8
69.03466	1.1
69.86613	0.5
70.05864	0.5
71.01365	6.8
83.05023	0.8
85.02927	8.6
87.00854	5.8
89.02429	6.7
92.10729	0.6
93.03435	24.2
94.09028	0.7
97.02932	0.8
101.02399	3.0
107.01366	2.6
109.02928	1.3
111.04501	3.0
113.02439	2.9
119.03496	1.4
125.02406	2.8
127.03946	1.4
133.02921	0.6
134.03682	0.9
135.00841	2.5
135.03503	1.2
135.04498	21.4
151.00345	3.2
155.03395	0.6
161.02403	3.3
161.04514	1.3
166.02676	16.6
167.03423	2.5
173.04517	20.6
179.03493	4.7
179.05537	1.2
191.05588	100.0
192.05899	1.1
260.00372	0.7
265.10785	0.6
328.25073	0.7
329.08698	7.7
329.15912	6.9
337.12137	0.6
353.08762	25.5
389.06421	4.1
389.18073	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	389.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65060	1.0
59.01384	6.2
59.21373	1.3
64.33075	1.4
85.02935	1.4
98.44306	1.4
114.96655	1.3
121.06593	2.8
132.02124	2.6
135.04492	41.1
137.02423	8.8
147.04501	1.4
149.06073	12.6
151.03941	2.9
152.04738	1.5
153.50909	1.5
160.01649	9.5
165.01941	5.4
166.06294	2.2
179.07132	30.4
180.04350	2.6
180.07919	68.0
191.05592	10.8
194.05765	2.9
194.09439	1.6
195.06622	1.7
195.10323	5.1
197.06224	1.5
208.07410	13.9
212.06773	2.2
213.05624	1.9
223.07562	2.9
223.09750	71.9
223.85974	1.4
225.05544	1.6
226.06425	2.0
226.08482	7.3
239.07198	2.5
240.07889	2.4
241.08734	1.9
242.09497	19.7
246.08975	5.4
257.08267	1.6
257.11819	10.4
258.08911	2.9
261.07617	1.6
267.06702	1.5
268.07416	1.6
269.08179	6.1
269.11829	1.3
270.09012	26.3
271.06033	1.8
281.04486	5.3
282.08945	6.0
283.06152	1.5
283.09741	2.4
284.06873	8.7
285.08029	2.6
285.11282	26.5
286.08374	10.6
295.09772	1.9
296.06799	1.6
297.07761	2.2
298.08517	14.8
299.09216	21.9
301.10852	6.3
310.08524	5.4
311.09137	11.0
313.10889	8.2
314.07974	29.6
323.09210	2.7
325.10779	10.3
326.07999	14.2
326.11380	2.9
329.10312	71.7
339.12451	1.7
340.13132	1.8
341.10303	69.0
342.10672	1.5
344.08514	3.0
344.12653	49.4
345.13156	2.2
355.60077	1.5
356.12653	33.0
359.14990	100.0
367.57690	1.5
371.15030	52.2
389.15988	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	387.2177
Annotation	Tiegusanin N
Peak:m/z	Relative Intensity
50.84743	1.0
53.45713	1.0
59.01376	19.0
61.98812	1.4
68.66679	1.1
71.74468	1.3
92.10128	7.0
96.13896	1.7
117.03454	27.6
119.04999	28.8
121.02876	2.0
133.02966	1.6
145.02946	100.0
150.87947	1.5
159.19171	1.5
163.04050	14.0
241.18066	7.0
387.21661	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	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76876	57.7
50.78117	58.3
59.01376	76.7
60.81903	73.9
66.34589	71.9
85.48726	84.3
92.10182	100.0
96.06859	79.4
161.61356	96.0
164.33800	68.7
178.29176	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28433	43.5
59.01382	98.1
85.18324	53.8
92.10899	100.0
104.79384	51.4
114.36949	59.3
141.42715	62.8
148.01857	63.8
173.07909	57.1
199.58052	56.5
222.23453	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	49.3
72.99296	20.1
73.02927	11.0
75.00861	81.3
75.21907	2.1
80.65332	2.5
81.75837	2.4
84.63548	2.3
92.10056	5.5
122.86824	2.2
264.49561	2.5
378.72049	2.7
387.31177	100.0
388.31580	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.08192	0.7
52.56998	0.7
54.73256	0.7
57.03440	0.8
58.00595	4.0
59.01375	16.5
64.04340	0.7
69.03463	0.8
71.01381	9.0
73.02937	6.4
77.33485	0.8
85.02931	6.9
86.03729	1.4
87.04506	3.4
95.05004	3.9
97.02889	0.8
99.04501	8.9
101.02404	3.6
109.06550	0.9
111.08172	1.0
116.27168	0.8
139.14862	0.7
163.11264	13.1
181.12315	41.0
191.05547	1.7
195.13869	11.9
207.10284	7.1
223.13412	4.9
225.11308	100.0
226.11606	0.8
239.12874	9.3
251.38919	0.9
267.12369	21.0
297.13474	3.0
327.14487	14.8
387.16736	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80960	0.9
59.01371	9.8
62.35801	0.7
71.01383	5.6
73.02941	3.5
78.10832	0.7
80.62296	0.8
84.13853	0.8
85.02953	3.6
93.03457	0.9
95.05009	1.8
101.02461	1.0
108.14266	0.7
109.06527	1.1
113.02418	2.8
113.22395	0.8
118.98476	0.8
119.03514	0.8
124.46666	0.7
128.44987	0.7
133.02936	4.3
134.03743	1.8
137.02499	0.8
156.91768	0.9
161.02341	4.7
163.11272	4.5
181.12303	17.3
191.05577	3.4
193.05043	20.0
203.62289	0.8
225.11324	100.0
226.11682	1.0
249.11295	1.6
267.12555	1.1
293.94702	0.9
387.24036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.47100	0.3
57.03442	0.5
59.01375	71.7
71.01368	13.2
72.99303	0.6
73.02939	0.7
76.55489	0.4
78.95895	4.8
79.95718	1.9
80.77795	0.4
83.01379	1.4
85.02940	4.5
89.02422	11.7
93.01460	0.4
93.03455	0.4
95.01357	0.8
96.95991	100.0
96.96892	8.8
97.96011	0.4
101.02424	7.0
104.40351	0.4
107.62069	0.4
111.04525	0.4
113.02438	5.8
119.03465	3.5
136.68340	0.4
144.52580	0.4
151.43993	0.4
161.04492	0.8
163.11279	4.4
164.08472	0.7
167.86282	0.5
168.47592	0.3
186.25137	0.4
191.05611	1.6
207.10236	8.1
236.79854	0.4
289.07144	0.9
387.16605	68.8
388.16827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60923	0.5
50.98243	0.5
51.76082	0.6
59.01385	3.5
70.89689	0.5
80.05083	0.7
82.02969	1.0
92.10837	1.3
97.15042	0.5
108.04551	5.8
118.02989	1.1
122.06082	5.2
124.07571	0.6
131.03807	1.0
132.04523	4.8
136.04050	1.0
145.05431	0.6
146.06075	0.9
147.03271	0.8
150.65570	0.6
158.02505	1.2
159.03172	0.8
160.04016	29.1
162.05626	3.0
175.02808	1.2
176.03470	0.8
176.07175	1.3
182.08418	0.9
186.01965	3.1
186.04442	0.6
188.03534	19.1
190.05060	3.2
191.05678	2.0
202.05083	0.9
204.03029	7.2
209.10776	0.7
210.05510	0.6
210.07872	0.9
211.08852	2.7
211.12387	2.9
212.07210	1.2
213.06618	0.7
218.04610	15.5
219.05191	1.1
220.06192	0.8
223.08829	2.3
224.09610	2.6
225.08023	0.8
227.08223	2.3
237.06721	0.8
239.06053	0.8
239.08200	1.4
239.11896	7.2
240.05386	3.7
240.10294	4.0
241.06175	1.2
243.11314	1.5
251.08299	3.6
252.09090	2.8
253.06233	3.1
254.06953	1.4
255.07680	3.7
255.11542	0.8
265.09802	1.0
266.08200	1.0
267.04385	0.6
267.07809	4.0
267.11374	24.2
268.09964	5.0
269.09280	5.6
280.04556	1.0
281.05688	17.2
281.08798	1.3
282.06180	0.7
283.07266	1.4
283.10822	5.4
293.09277	1.3
294.07477	1.1
295.07169	6.0
296.08017	7.3
309.08759	5.3
311.10388	100.0
312.10663	3.0
320.24503	0.7
337.08325	14.1
343.12833	1.4
355.09354	37.2
387.11880	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	387.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37857	0.3
59.01369	5.3
61.98822	2.1
67.01887	2.5
69.03448	0.7
71.01376	1.7
81.03450	2.9
83.05043	0.7
85.02930	9.4
87.00845	5.0
89.02436	0.4
93.03435	14.9
96.95979	3.2
99.00854	0.4
99.04519	0.5
101.02438	0.4
107.05013	2.3
108.02172	3.4
109.02939	16.5
109.67487	0.4
111.04527	3.4
113.02438	0.6
123.04553	0.9
125.02393	3.1
127.03990	2.5
133.02945	6.7
137.04466	0.8
151.03996	11.0
155.03444	0.7
157.44255	0.4
171.03033	0.6
173.04553	8.4
177.01930	5.6
191.05597	100.0
192.06020	0.6
195.02924	0.6
213.04155	0.5
233.06572	4.3
369.08154	1.6
387.09543	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	387.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66947	0.5
59.01379	3.8
69.97436	0.4
80.05060	0.6
82.02989	0.7
82.95425	0.6
83.05029	2.6
96.95997	28.8
108.04542	6.3
122.06095	5.2
131.03693	0.8
132.04527	3.6
136.04036	0.8
146.06146	0.9
147.03258	1.1
147.06853	0.6
159.03253	1.9
160.04025	29.4
161.04810	0.8
162.05566	2.9
174.05669	1.1
175.02718	1.0
176.07130	2.0
178.04991	0.8
186.01875	1.0
188.03529	15.0
189.04399	0.6
190.05038	0.9
191.05684	0.7
195.06892	0.6
202.05043	0.8
204.03017	8.1
210.05583	0.9
211.06171	0.5
211.08784	0.9
211.12473	2.4
212.07210	3.0
213.06589	0.9
218.04543	13.5
219.05351	0.6
220.06183	0.7
223.08775	1.9
224.07574	0.5
224.09564	2.9
225.08107	0.6
226.03780	0.6
226.08983	0.8
227.08302	2.3
237.06650	1.1
238.05013	0.7
238.08769	0.6
239.05981	0.6
239.08226	1.8
239.11848	7.4
240.05278	2.0
240.10239	2.9
241.06149	2.2
241.09840	0.9
243.11354	3.1
251.08275	5.0
252.08986	4.9
253.06058	4.4
254.06906	2.8
255.07611	3.6
265.09897	1.2
266.08392	0.8
267.07825	3.3
267.11371	22.6
268.10022	5.2
269.09335	4.7
278.07083	0.7
280.04785	0.6
281.05682	16.7
281.08960	0.8
282.06186	1.2
283.07486	1.8
283.10886	5.9
293.09293	2.4
294.07193	1.1
295.07181	5.6
296.07971	6.0
309.08789	4.0
311.10382	100.0
312.10617	1.9
315.09821	1.0
337.08286	11.3
343.12997	2.8
355.09351	33.4
387.11960	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
59.01376	100.0
59.57537	0.4
71.01379	4.9
71.32439	0.4
73.02948	1.0
85.02943	2.2
87.00874	0.5
88.30761	0.4
92.10162	0.9
99.00876	0.6
101.02432	2.5
113.02407	2.0
113.74055	0.4
121.06579	1.9
131.46584	0.4
137.02469	0.8
146.69057	0.4
148.01923	0.5
148.05290	16.5
161.04488	3.6
163.07599	9.6
175.07483	0.5
191.05608	2.6
299.63626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56546	1.7
53.55362	1.7
55.01859	2.4
59.01384	16.1
68.99769	2.8
69.69316	1.6
71.01376	13.1
73.02956	2.0
73.49432	1.6
75.90734	1.5
83.01373	9.0
84.27193	1.6
85.02959	7.9
87.00851	2.7
89.02410	1.6
93.03432	3.6
99.00854	1.8
102.98557	3.4
107.96367	1.7
108.02141	2.0
111.00904	2.5
115.00340	13.6
123.04520	3.0
127.00345	4.1
131.04977	2.6
134.03728	17.1
135.14346	1.7
139.00307	9.6
148.05301	36.3
149.06044	3.1
157.01384	26.6
160.01598	7.1
160.05270	3.1
161.02461	6.9
162.03195	40.1
163.07619	3.4
164.04755	11.7
165.05490	4.3
175.02419	15.5
175.03955	14.0
177.05557	45.3
188.04796	2.4
189.01741	2.4
191.05498	3.1
191.07117	7.0
194.02164	8.6
195.06555	3.1
197.42769	2.0
203.07138	2.8
205.80637	1.9
207.06647	18.5
218.05771	2.5
219.06546	3.9
223.06111	7.7
233.08110	9.4
247.06148	16.1
251.05589	100.0
263.09250	2.1
291.05133	30.2
307.08148	3.3
321.06244	3.1
333.06180	28.6
351.07291	53.3
387.04913	8.8
397.42609	1.9
401.43320	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93034	2.2
54.17540	2.6
56.85171	2.3
57.03446	15.3
59.01084	4.0
59.01374	57.0
63.91994	2.3
64.16929	2.3
71.01398	2.4
71.50772	2.2
75.15338	2.0
77.04638	2.2
81.03435	10.3
83.01384	18.6
84.65940	2.4
85.02941	3.4
93.03438	10.1
95.05006	5.3
97.02953	12.1
99.04525	3.8
107.05076	3.3
109.02946	12.9
111.04506	2.7
121.02934	14.8
121.37090	2.4
122.03736	4.9
123.04490	3.9
124.01682	3.7
125.02412	69.7
131.05087	2.9
135.04434	4.7
137.02426	100.0
139.03961	2.7
146.03717	34.1
148.05249	5.3
149.06041	3.3
151.03946	5.4
159.04514	15.1
163.07629	3.4
164.01169	32.2
165.01898	66.5
167.03491	30.8
172.05225	10.2
173.06038	22.1
174.03235	20.5
174.06807	11.8
175.03996	3.8
175.07632	49.9
176.04727	12.2
177.01912	18.1
179.03474	13.6
182.41716	3.1
185.06108	3.3
186.06792	3.4
187.04002	4.3
187.07599	5.2
188.04793	4.0
189.09129	4.0
190.02646	3.3
191.05550	24.4
200.04794	9.4
201.05563	4.7
201.09177	11.5
202.06396	3.0
203.07198	19.1
204.04279	3.2
205.08722	8.8
217.08690	23.7
225.05583	5.0
226.06297	5.2
229.08751	26.7
239.10854	4.8
240.08121	2.5
241.08627	3.6
247.09734	10.5
254.09425	4.1
255.10251	4.2
257.11737	3.4
281.11758	12.2
283.09708	5.8
294.08917	3.1
297.11212	6.0
299.12866	6.0
323.12805	31.3
329.38089	2.6
349.10876	3.3
367.11884	52.9
385.12817	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	385.1293
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
57.03447	11.2
59.01375	39.9
67.34483	1.5
69.03451	2.9
71.01366	4.0
79.77692	1.5
81.03436	11.8
83.01385	18.1
85.02955	6.2
88.26907	1.4
93.03438	9.3
95.01340	2.3
95.05014	8.0
97.02937	10.8
99.04492	6.4
100.93236	1.4
109.02943	13.1
110.95261	1.6
121.02934	9.9
121.06536	3.7
122.03718	7.0
123.04485	3.9
124.01604	2.6
125.02422	61.9
133.02895	6.7
135.04491	7.7
137.02425	100.0
138.03171	2.7
141.68422	1.4
146.03726	33.0
147.04466	2.3
149.06035	2.1
150.03191	2.4
151.03990	4.0
157.06538	2.9
159.04512	14.3
161.02400	6.5
161.06052	2.7
162.95314	9.8
163.00327	3.0
163.07391	1.8
164.01118	29.7
165.01903	71.6
167.03471	31.7
172.05264	7.8
173.04637	3.8
173.06030	28.1
174.03217	17.6
174.06818	10.2
175.04005	3.0
175.07613	47.9
176.04791	13.8
177.01935	12.4
179.03496	12.6
187.03958	7.8
187.07547	7.6
188.04655	3.0
188.08258	1.6
189.05545	3.7
189.09206	7.1
190.02705	8.2
191.05605	39.0
192.05954	2.5
199.03972	2.0
199.07675	2.2
200.04802	9.1
201.05539	7.2
201.09213	9.6
202.06303	6.1
203.07130	23.3
204.04121	6.8
205.08650	6.7
211.03990	3.7
212.04921	2.4
215.07129	3.1
217.08675	23.2
225.05440	7.1
225.57271	1.6
226.06277	2.7
229.08661	28.3
239.07095	2.6
239.10637	2.3
241.08643	3.1
244.07487	1.8
247.09830	3.1
251.06979	1.9
252.07996	2.2
254.05849	2.2
255.10187	7.9
257.11731	3.3
268.07309	7.1
281.11798	11.9
283.09695	6.7
294.08969	3.7
295.09808	2.3
297.04004	2.7
297.11298	3.4
299.12799	13.0
323.12811	23.9
323.40805	1.9
327.05154	7.2
341.10248	3.0
349.11057	3.4
367.11774	36.3
372.74106	1.8
385.13028	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	385.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03450	5.0
58.00592	1.1
59.01372	39.1
61.98819	9.6
67.01896	1.4
68.99799	1.6
71.01371	35.8
71.01744	1.8
72.99302	7.1
72.99677	1.0
73.02934	2.3
75.00861	25.0
83.01401	1.3
85.02938	36.1
87.00853	13.9
89.02421	12.9
90.99248	1.1
91.05511	43.4
93.03434	1.5
95.01366	8.9
99.00863	18.3
103.00336	3.4
113.02428	40.2
113.03188	1.9
115.00346	3.6
117.01923	4.4
117.03471	7.0
117.36455	0.8
129.01912	2.1
135.04504	10.1
175.02505	2.3
191.05621	1.9
200.01248	0.9
205.07182	1.8
212.25569	1.0
212.62318	0.9
231.05090	1.5
249.06155	37.6
256.67703	1.0
267.07202	100.0
275.38309	1.1
385.11407	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01865	1.6
57.03457	2.4
59.01374	33.1
59.01664	1.7
60.36047	1.0
70.32683	1.0
71.01369	25.8
71.01744	1.4
72.99313	1.9
75.00852	8.2
85.02943	19.5
87.00872	7.6
88.68971	1.1
89.02422	12.9
91.01875	1.2
91.05529	7.5
93.03456	2.2
95.01354	2.4
98.14729	1.2
99.00876	6.5
100.37315	1.1
101.02441	5.6
108.02160	5.8
108.09705	1.1
113.02434	24.6
117.01910	1.5
117.03403	2.2
119.01371	6.6
119.03462	1.6
121.02969	5.4
133.02953	1.8
135.04562	4.7
137.02422	1.8
138.67873	1.2
147.00830	4.1
149.02414	24.0
152.01173	1.6
161.02390	4.7
161.04573	1.9
163.03949	2.8
163.07655	2.4
164.04765	18.5
165.01886	1.4
175.00346	39.8
179.07137	2.0
181.08762	1.3
190.02701	100.0
191.05565	7.9
193.01367	7.1
205.05057	94.7
206.05571	1.8
208.03726	9.4
223.06128	31.4
247.06033	6.0
249.06195	2.4
267.04324	1.8
267.07156	50.1
283.95056	1.5
336.71140	1.3
344.43909	1.5
373.83557	1.2
385.11423	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71515	1.1
54.18166	1.2
56.40256	1.2
56.73563	1.2
56.78711	1.3
59.01383	100.0
63.26755	1.2
145.55121	1.7
163.11258	2.5
207.10228	2.1
279.23270	6.7
297.21054	1.7
297.24323	46.7
326.81168	1.6
339.25369	26.1
348.32956	1.6
383.22247	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	383.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06699	0.2
52.35736	0.2
57.03438	0.3
59.01374	100.0
61.98816	0.4
70.88991	0.3
83.01375	0.4
89.02430	0.4
121.02927	3.8
122.53854	0.4
127.00350	0.5
137.31331	0.3
177.29149	0.3
247.20615	1.6
291.19461	1.7
306.00992	0.3
309.20688	2.5
383.07727	0.4
383.24277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96058	0.2
56.18286	0.2
57.07222	0.2
59.01382	4.3
59.10978	0.2
59.61341	0.2
67.28964	0.2
71.06928	0.2
76.71188	0.2
77.70779	0.2
84.95097	0.2
87.58507	0.2
90.42818	0.2
117.03427	0.3
119.05004	100.0
120.05324	0.4
163.03993	60.9
164.04321	0.4
164.53694	0.3
191.05591	2.1
205.05185	0.3
223.31340	0.2
300.20483	0.2
325.09250	0.5
375.13583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1136
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
52.77147	0.5
57.99705	0.5
59.01382	2.9
60.87917	0.5
66.01346	0.6
70.93068	0.6
71.01378	1.5
74.92481	0.5
77.63039	0.6
85.02952	1.1
87.00870	1.1
92.55327	0.8
93.03453	2.3
109.02964	1.4
111.04522	0.8
119.05018	3.7
121.02942	15.0
133.06581	1.6
135.04494	2.8
136.41139	0.6
137.02472	1.0
137.52974	0.6
142.06587	0.7
148.41267	0.6
149.02428	100.0
152.01158	3.5
152.33423	0.6
159.04491	0.8
163.03995	5.8
164.04779	79.3
169.05020	0.9
174.01695	2.7
179.07133	23.5
181.07191	1.1
189.01901	1.3
191.05640	8.2
193.01384	9.3
193.05133	0.7
208.01917	1.3
208.03780	23.6
219.14120	0.7
221.08247	0.8
223.06111	74.2
224.06450	0.7
320.94647	0.7
341.06796	0.8
385.11450	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	383.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99290	4.0
56.87363	3.2
59.01387	33.5
60.60678	3.5
71.01391	6.9
73.02975	7.6
74.55722	3.9
89.02461	7.8
93.71718	4.1
107.48124	3.5
110.21889	4.2
135.98695	4.3
153.32141	4.1
168.93471	3.9
185.11823	100.0
191.05623	6.0
195.80608	4.2
221.08545	4.1
301.57993	4.1
347.17172	31.6
383.14819	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	383.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81824	0.7
55.01882	3.1
57.03448	11.8
58.99604	1.0
59.01376	7.8
67.01898	1.3
69.03494	0.5
70.73980	0.5
71.01374	14.0
72.99308	0.8
73.02937	11.1
73.03262	0.7
75.58800	0.5
75.89608	0.5
82.95428	1.4
83.01376	12.6
85.02937	7.6
87.00862	35.2
87.02728	4.8
89.02462	2.2
93.03445	7.6
95.01384	1.1
99.00851	5.3
101.02428	8.5
111.04507	0.8
113.02444	5.5
115.05880	0.9
127.00360	23.5
129.01944	0.6
131.05330	3.3
133.06912	100.0
134.03749	1.1
135.04506	3.6
147.03062	0.7
161.04602	5.5
173.04552	3.4
179.03473	2.2
185.06065	2.2
189.00407	12.4
191.05603	8.1
203.07471	3.8
211.04030	0.7
221.08307	0.7
229.04941	1.1
230.70139	0.6
248.34615	0.6
248.37163	0.6
249.06143	22.0
383.09738	4.3
383.13867	41.3
383.60074	2.4
386.00220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
59.01364	1.7
67.01877	0.2
69.03468	0.1
71.01375	1.1
73.02946	0.6
81.03462	0.3
83.05003	0.5
85.02937	11.7
87.00850	2.2
90.97211	0.1
93.03441	3.8
99.04509	0.2
109.02953	1.0
111.04506	1.6
113.02409	0.2
127.04000	3.0
155.03462	0.2
171.02985	0.9
173.04491	1.4
174.59921	0.2
191.05597	100.0
192.05898	1.1
258.53867	0.1
302.66898	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	383.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.1
57.03452	28.9
58.99603	1.2
59.01381	10.0
61.98826	1.3
67.01894	0.6
71.01376	13.7
72.99301	0.8
73.02936	19.9
75.04570	0.6
76.61081	0.5
81.54727	0.5
83.01377	36.5
85.02946	8.8
87.00865	31.8
87.02721	4.2
88.98756	0.6
89.02466	1.3
92.10736	1.2
93.03447	5.2
93.92092	0.5
95.01369	0.9
97.02908	0.8
99.00861	13.9
100.72311	0.5
101.02415	10.1
109.00575	0.6
113.02424	6.7
119.04985	1.0
124.15662	0.5
125.02412	0.9
126.02751	0.6
127.00349	58.6
128.00749	0.6
129.01971	0.9
131.05331	3.1
133.06912	100.0
134.03732	4.4
135.04498	17.4
137.02441	0.8
149.02446	0.6
161.04549	4.9
161.05849	0.8
173.04492	0.9
179.03496	3.7
184.03162	0.6
185.06073	0.9
189.00403	34.6
191.05592	7.2
193.05034	1.2
203.07422	3.2
205.07103	0.7
205.94244	0.7
249.06129	20.9
276.89493	0.5
284.49689	0.6
320.04666	0.7
383.09778	1.9
383.13885	42.3
383.19067	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	383.1134
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
50.09439	0.8
55.98564	0.7
57.03446	10.9
59.01378	8.4
63.02392	3.9
65.00318	26.8
73.02962	1.3
73.11089	0.7
77.00908	0.7
81.03440	8.9
83.01373	21.0
107.01385	34.3
123.04509	32.9
123.05391	1.2
124.01555	0.8
125.02428	39.7
125.03343	1.5
127.00345	4.1
146.03722	1.2
151.00362	100.0
151.03883	1.5
151.07655	1.2
158.03683	3.4
159.04504	8.1
167.03477	32.1
169.01367	1.3
172.05255	12.1
173.06099	8.8
177.01901	1.3
187.04094	7.8
187.07640	94.9
189.00397	1.1
200.04784	4.0
201.05565	23.8
202.06361	43.2
204.04239	2.0
213.09142	4.0
215.07164	15.1
216.07861	1.0
229.08711	1.0
231.10262	22.6
232.03690	1.4
257.08133	5.0
309.04001	1.6
335.04971	1.0
339.08777	19.4
339.12610	1.6
365.10251	2.0
383.11282	10.7
395.71545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	11.2
59.01387	8.7
63.02394	1.9
65.00317	24.4
73.02919	1.2
81.03447	9.5
83.01373	26.7
107.01373	34.7
123.04497	35.1
125.02413	47.0
127.00330	4.3
146.03770	2.5
151.00345	99.9
151.03990	1.4
151.07625	2.3
158.03658	2.3
159.04495	6.3
165.12819	8.0
167.03468	41.2
172.05273	11.5
173.06052	7.7
176.04631	1.4
183.13866	39.0
187.04024	7.2
187.07623	100.0
200.04842	2.7
201.05533	22.0
202.06361	40.4
204.04185	3.0
213.09209	2.1
215.07144	14.0
227.12868	27.2
231.10211	23.6
257.08136	5.6
339.08789	19.1
365.10004	3.0
383.11157	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.5
59.01376	19.4
59.07133	1.6
60.99304	2.8
64.60552	1.6
67.01874	2.0
68.27193	1.7
68.36008	1.8
71.01388	9.3
72.99300	18.3
73.02959	2.9
74.09874	1.9
79.11945	1.6
83.48009	1.8
85.02934	15.3
87.00848	24.1
88.98798	2.6
93.03431	15.7
99.00871	7.8
101.02446	2.7
109.02924	2.6
111.00860	8.0
111.04528	2.0
112.98790	34.2
113.99563	23.4
119.05022	12.4
127.04025	2.0
129.01917	12.1
133.02919	3.6
141.99019	3.4
147.04536	2.1
150.03227	3.0
151.03975	3.5
161.02422	40.2
163.04010	8.3
164.04836	2.1
172.00075	23.1
173.04533	3.6
176.04776	24.5
177.01904	3.9
179.03493	61.8
179.04994	3.5
182.51593	2.0
189.01863	2.8
191.05621	61.4
191.07196	13.5
192.05881	3.3
194.05840	72.8
209.04926	2.8
209.08195	100.0
221.04460	1.9
229.01431	2.7
235.06210	2.4
279.08783	16.6
316.28604	1.8
317.47925	1.7
323.07684	51.3
339.10431	2.4
353.08926	3.2
383.09619	13.7
383.61154	2.0
402.53085	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	383.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.2
59.01379	1.6
67.01910	0.3
69.03451	0.3
71.01373	1.3
72.99323	0.2
73.02939	0.4
81.03487	0.3
81.04034	0.1
83.05039	0.3
85.02939	10.8
87.00872	2.3
93.03442	3.9
94.97576	0.2
99.00871	0.3
99.04517	0.4
109.02953	0.9
111.00838	0.2
111.04482	1.6
112.98795	1.0
117.55058	0.2
127.04015	3.2
129.02045	0.2
142.43489	0.2
142.99890	0.3
155.03548	0.2
159.02992	0.2
166.15727	0.2
171.02991	0.7
173.00839	0.9
173.04475	1.4
191.05606	100.0
192.06032	0.7
202.02414	0.2
359.07584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34013	0.4
51.23215	0.4
54.81653	0.4
55.01878	0.6
57.03446	3.6
59.01371	3.4
67.01893	0.7
68.99833	0.5
71.01369	15.3
72.99299	0.5
73.02952	2.1
74.92973	0.4
76.06304	0.4
83.01389	2.5
85.02939	13.2
85.03419	0.7
85.21149	0.4
87.00856	5.2
93.03458	3.7
93.50256	0.4
96.95995	0.6
99.00866	15.8
101.02434	0.5
105.85365	0.5
109.02987	0.7
111.00871	7.3
111.04491	1.6
112.98800	37.2
115.00351	2.4
124.98835	1.0
127.04004	3.3
129.01906	5.4
142.99854	20.3
143.00931	1.0
145.01434	0.8
159.02933	0.7
173.00900	22.4
173.02379	1.0
173.04601	0.8
190.90431	0.5
191.01947	2.6
191.05603	100.0
192.05974	0.9
216.70042	0.4
218.08104	0.6
273.60339	0.5
347.02258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
56.86654	0.7
57.03444	47.1
59.01383	4.8
71.01373	4.6
72.75773	0.7
73.02934	26.5
73.03325	1.3
83.01376	51.2
83.42966	0.7
85.02930	12.6
87.00863	6.5
92.10897	2.2
93.03439	8.2
99.00859	17.1
101.02444	2.1
109.02972	1.7
111.04483	1.3
119.04956	1.5
127.00349	93.8
127.04021	1.6
134.03706	1.6
135.04436	1.0
144.24936	0.9
151.76465	0.9
163.03967	1.1
173.04556	1.9
189.00397	50.0
191.05595	100.0
291.16489	0.9
334.70313	1.0
361.54227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
67.30686	4.4
71.61952	3.8
78.95885	47.9
96.96946	21.2
174.99196	10.7
217.00327	42.8
329.41977	4.9
363.12222	9.6
381.13126	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07291	2.2
58.02967	5.2
58.29333	2.1
58.50869	2.1
59.01375	100.0
61.98849	2.6
71.65017	1.9
86.02673	2.1
153.12836	2.9
164.43573	2.5
165.12810	5.3
170.05765	3.1
179.10728	11.0
181.12321	34.4
199.13380	87.8
215.12898	2.7
215.42061	2.4
217.00212	4.5
252.97829	2.4
381.26358	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	382.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.1
61.98821	5.3
67.01894	1.0
69.14674	0.6
70.72410	0.6
71.01368	9.3
72.99307	0.9
75.00859	16.6
80.91685	0.8
83.01356	1.0
84.30163	0.7
85.02934	5.4
87.00858	13.6
89.02419	3.4
92.10793	1.5
93.03429	4.9
101.02410	4.0
109.02934	4.4
111.04477	1.1
113.00953	0.8
113.02438	1.5
115.00343	1.6
115.05508	7.4
116.05033	1.2
119.03386	0.8
123.00851	0.7
130.06609	9.3
132.04529	24.2
135.04489	0.8
137.02406	3.7
149.02420	1.0
149.06097	1.0
158.06094	100.0
159.06433	0.9
173.04536	3.5
174.05545	1.3
177.01801	1.4
191.05577	11.9
192.05920	0.9
202.05086	29.5
220.06052	4.1
229.01331	1.3
237.06059	5.6
249.06172	5.8
259.06158	1.3
289.05634	0.7
352.08017	4.0
352.57956	0.8
355.87277	0.6
369.42444	0.8
382.11395	43.2
388.46078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88984	0.3
59.01373	10.1
61.98822	100.0
71.01371	4.5
73.01186	0.6
73.02930	0.9
75.00801	0.4
79.77633	0.4
85.02951	0.7
87.00867	5.7
87.02723	37.9
88.98743	0.5
89.02437	2.2
91.05514	0.7
93.03445	1.6
96.95970	0.9
99.00900	0.5
99.04498	0.7
101.02431	2.0
102.98586	3.0
113.02403	1.6
113.06036	0.4
114.05595	1.0
115.05910	0.6
119.04990	4.1
121.06536	0.5
131.01698	8.2
134.04703	2.1
136.91447	0.4
137.02368	3.0
156.06636	0.8
157.06966	0.6
161.04497	0.5
162.07658	0.5
163.03975	4.3
183.06497	0.8
186.17664	0.4
191.05519	2.4
249.06091	2.0
249.08578	0.4
267.07123	1.0
283.04727	1.5
289.26245	0.4
343.10254	0.7
381.08966	3.8
381.13303	0.7
401.78433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27045	0.9
58.53015	1.0
59.01378	17.5
67.00795	1.1
68.62950	1.0
71.01370	8.4
72.00883	1.9
73.02930	1.6
85.02948	2.7
85.06614	1.3
87.00833	1.2
89.02419	3.0
92.05038	4.6
96.96000	35.1
101.02420	2.9
103.20278	1.2
113.02481	1.9
116.05040	7.5
120.04420	1.2
128.05014	1.4
131.03751	3.0
132.04530	14.5
142.06602	5.3
143.06113	1.7
144.04565	15.1
151.02733	1.7
152.91713	2.2
154.06573	1.7
155.06122	1.8
156.06877	12.3
157.05264	1.6
157.07675	10.9
158.06108	4.8
159.05559	2.9
160.04002	17.9
167.06131	23.8
169.07681	7.0
171.09291	19.1
173.07181	13.0
181.07698	98.4
182.06163	4.9
187.08690	2.1
188.05890	2.3
197.07182	11.3
199.08760	52.8
201.06714	5.2
213.06628	1.7
217.09834	2.1
226.05009	3.0
243.07722	29.6
261.08780	100.0
291.17557	1.2
337.14224	1.7
363.12045	2.4
381.13144	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48650	0.3
59.01375	100.0
77.78910	0.3
89.02480	0.4
107.75946	0.3
128.37808	0.3
135.04507	0.6
165.32341	0.3
183.48825	0.4
185.07230	0.4
191.05600	0.6
206.03896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
59.01376	100.0
64.33681	0.4
66.89516	0.3
71.01359	3.0
73.02939	0.9
78.61774	0.4
83.01383	0.5
84.08251	0.3
84.51534	0.3
85.02943	2.1
93.75663	0.4
98.19217	0.4
99.00867	0.5
101.02397	3.4
113.02438	1.4
161.04498	1.5
162.05545	0.5
172.52379	0.4
176.08429	1.4
184.08804	0.4
191.05525	0.7
239.69762	0.4
321.19199	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	379.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14139	46.2
54.46107	39.7
54.83421	67.6
59.01389	100.0
80.35493	51.0
80.58513	49.0
88.23856	52.5
108.72789	57.0
245.47624	53.3
253.76440	66.2
286.09131	59.5
311.16470	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2849
Annotation	Persin
Peak:m/z	Relative Intensity
53.11078	1.1
74.79260	1.2
89.05352	1.3
116.02452	1.4
129.99046	1.3
130.42561	1.3
153.26765	1.6
250.95557	1.5
295.08923	5.9
347.25888	12.7
363.15097	5.9
379.28537	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	380.1559
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
54.81837	0.8
55.01870	1.1
59.01378	36.5
59.04287	0.9
61.98824	8.8
63.99250	1.3
65.60305	0.8
69.27307	0.9
71.01371	47.4
71.05007	10.6
72.99273	1.4
73.02933	2.0
75.00900	1.0
83.01385	1.6
85.02953	7.1
87.00859	1.5
88.04044	5.4
89.02428	16.7
93.03457	1.4
95.01378	1.7
96.95994	8.2
99.04505	2.0
101.02436	14.0
110.19517	1.1
113.02405	9.1
116.07185	1.5
119.03484	6.1
119.04254	0.9
125.76971	1.0
128.07172	4.0
128.93797	1.2
129.05576	4.3
131.01712	1.4
135.04453	1.4
135.56189	1.0
137.02422	2.0
146.08218	88.8
147.07603	1.1
161.04501	2.2
179.03378	1.7
191.05632	2.4
218.10304	1.5
254.86989	1.1
258.32721	1.3
267.11157	1.1
299.07678	4.0
308.13522	5.3
380.15686	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	381.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01380	2.5
67.01855	0.4
68.99550	0.4
69.03452	11.7
71.01385	1.1
76.95172	0.6
85.02950	4.8
87.00871	100.0
88.98799	0.9
89.02431	1.2
92.10220	1.1
96.96002	1.1
98.95580	1.1
99.00839	0.9
99.18163	0.4
111.00872	0.7
112.01644	1.0
112.98781	2.0
113.02433	8.6
116.60493	0.5
118.25200	0.5
147.02968	0.9
157.01408	8.3
167.21025	0.6
175.02461	34.1
175.06067	2.2
189.04033	0.8
335.07831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98831	38.3
71.01370	31.5
72.99292	2.6
73.02914	3.0
75.00862	5.2
78.95908	3.0
81.03466	2.3
83.05066	2.0
85.01164	4.1
85.02937	20.6
87.00869	10.5
89.02422	17.7
93.03419	3.2
95.04993	17.8
96.95997	10.8
97.06580	3.0
98.95579	2.7
99.00883	4.2
100.35300	2.1
101.02433	12.3
108.65413	2.1
109.02940	4.3
109.06561	3.0
112.05114	2.4
113.02443	21.1
113.06079	80.2
119.03503	7.4
119.05048	4.9
129.00140	10.8
129.05568	34.0
135.04509	11.8
137.02461	2.1
137.06075	17.9
139.03940	15.8
146.08208	8.7
155.10858	3.3
157.05054	74.4
161.02519	2.5
163.04021	10.0
171.06657	2.2
191.05539	14.6
199.06061	2.1
199.09796	4.0
216.78825	2.1
249.06128	8.4
259.08240	3.1
293.72672	2.2
319.13959	2.7
343.10147	10.8
370.76877	2.1
379.12027	28.6
379.16739	21.0
380.15811	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	379.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24401	0.7
54.27282	0.8
57.03412	0.8
58.02984	1.0
59.01376	100.0
60.01708	8.5
61.98830	5.5
64.16845	0.7
66.39420	0.8
71.01373	7.2
72.99303	1.8
73.02938	0.9
74.06653	0.8
75.00880	1.0
85.01141	2.9
85.02966	3.9
87.00880	1.5
89.02436	7.6
93.03470	1.3
95.01392	1.1
96.96002	7.9
101.02427	4.1
110.82340	0.8
111.04513	0.9
113.02428	6.0
113.06098	8.5
114.05597	98.2
114.09253	1.1
115.05341	2.4
115.05944	46.1
119.03475	3.7
119.05009	17.6
125.27969	0.9
129.00143	5.4
131.28555	0.9
136.21060	0.8
136.63834	1.1
137.06087	1.3
137.47322	0.8
143.09094	1.1
156.06654	64.0
157.05103	9.6
157.06995	54.5
163.03999	20.8
170.08215	3.9
171.08595	1.9
198.07803	1.5
199.08064	3.4
343.10251	4.1
379.12408	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	379.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81488	0.4
59.01376	11.9
61.85780	0.4
65.01596	0.4
71.01366	11.2
71.94141	0.4
85.02944	0.9
87.00832	0.4
89.02429	1.1
94.21840	0.4
101.02408	0.9
101.06075	1.0
113.02433	2.0
115.00355	11.4
115.07608	0.6
119.03420	0.5
125.09725	0.7
127.11251	0.9
137.09727	2.3
152.45770	0.4
153.09192	0.6
155.10760	27.8
171.10242	39.0
181.08702	0.9
191.05638	1.0
199.09752	6.9
213.11411	0.8
217.10793	100.0
218.11115	0.6
219.02864	0.6
231.47946	0.5
259.11804	2.3
270.06439	0.8
285.08847	4.0
379.12134	2.3
379.16281	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	377.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58784	5.9
59.01377	100.0
60.01696	6.9
61.63716	5.8
62.27703	6.1
63.39251	6.8
64.08176	6.5
65.54179	6.4
71.01369	29.0
73.02940	8.6
78.38599	6.9
85.89584	7.1
93.03469	14.9
98.54375	7.4
101.02453	10.1
127.07629	15.0
169.31889	7.1
173.04637	10.5
191.05653	18.1
206.67714	7.5
218.51280	8.5
377.15317	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	378.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16100	0.3
50.73406	0.2
59.01377	1.2
61.98827	100.0
69.07703	0.3
69.20029	0.2
71.01382	0.3
85.02968	0.3
96.96001	0.6
104.87749	0.3
107.23853	0.3
109.02930	0.4
120.67290	0.3
135.04492	0.5
136.04828	0.3
137.02423	0.4
142.75677	0.3
153.05545	1.1
179.03552	0.3
180.03827	0.5
191.05544	1.4
223.05875	0.3
246.60587	0.3
315.10239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60550	0.6
55.01891	3.7
56.05828	0.7
57.03439	6.4
59.01371	13.4
64.50208	0.7
67.01889	1.1
68.99833	1.3
71.01371	32.4
71.01744	1.3
72.99297	6.8
73.02947	2.1
74.46188	0.8
78.95898	1.5
82.78890	0.7
83.01373	6.1
84.55048	0.8
84.91389	0.9
85.02970	4.1
87.00872	4.0
89.02441	1.5
90.98944	0.8
94.86248	0.9
96.95994	11.8
96.96977	4.7
99.00864	36.5
101.02422	3.2
111.00871	8.9
111.04519	2.1
111.52906	0.8
112.98804	100.0
115.00341	7.3
124.98823	9.1
129.01938	6.9
129.05510	1.8
140.98276	1.2
142.99858	71.3
145.01385	6.6
155.03465	5.4
173.00891	60.1
173.04495	3.6
175.02562	1.0
199.19432	0.8
205.03511	3.5
390.25238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29562	0.3
55.13116	0.3
55.80456	0.3
56.88649	0.3
59.01382	8.1
60.99307	17.6
71.01369	0.6
74.33587	0.4
84.24708	0.3
85.02946	0.6
88.98800	100.0
89.02425	0.8
89.99081	0.4
93.03445	0.4
98.27164	0.3
101.02412	0.4
120.99604	0.7
122.03732	0.7
135.04466	0.5
157.08665	1.5
162.50304	0.4
181.07155	0.7
181.08691	16.5
191.05624	2.6
217.10725	0.5
257.10263	4.5
343.13864	1.8
365.71191	0.4
379.23413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1451
Annotation	Lamiol
Peak:m/z	Relative Intensity
54.62543	1.2
55.01883	1.8
59.01373	86.3
63.74112	1.1
67.01861	1.2
71.01366	32.9
71.11261	1.1
72.99291	3.1
76.55939	1.3
81.03437	1.6
85.02936	14.3
87.00859	5.6
89.02424	29.4
92.10868	6.0
93.03435	14.5
94.03818	1.6
95.01365	2.3
96.95982	17.3
101.02418	15.1
111.04528	2.8
113.02422	10.2
115.71738	1.1
119.03461	9.1
135.04501	17.7
135.08119	5.6
151.07777	1.3
153.09192	59.8
171.10303	1.3
173.04460	2.5
179.03447	6.2
179.05717	1.2
179.18417	1.4
191.05597	31.2
192.05981	2.8
197.08179	100.0
215.09219	13.1
236.27808	1.4
256.12454	1.3
360.59537	2.6
377.09528	2.0
377.14493	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83868	5.0
53.57787	4.6
59.01383	39.4
69.42938	6.4
71.01394	11.8
75.00842	8.2
76.90013	5.5
85.02934	11.9
87.00894	25.7
89.02429	8.1
100.98798	28.6
101.02460	6.9
108.57700	6.1
113.02431	9.3
115.95457	5.8
129.01889	11.7
178.27885	6.5
184.43712	6.4
185.11824	100.0
255.72826	7.0
297.32495	8.1
333.15607	10.4
357.05856	5.9
395.48096	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43311	0.5
57.90706	0.5
59.01373	100.0
61.98852	0.5
62.84118	0.4
62.87060	0.5
63.67464	0.5
66.86782	0.5
71.01381	1.2
80.78088	0.5
85.02943	0.9
100.93888	0.7
101.02358	0.7
149.22697	0.6
154.07626	0.6
161.04541	2.9
191.05566	0.9
214.82828	0.6
217.00226	1.0
236.16238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15889	0.3
57.03452	0.4
57.09944	0.3
65.66205	0.4
69.03991	0.4
78.95888	66.8
85.02932	2.5
87.00871	4.5
96.96046	7.7
96.96942	100.0
109.14679	0.4
109.32425	0.4
109.98624	0.4
111.00872	7.1
129.01898	0.5
166.97499	2.6
173.04532	0.6
184.98549	65.7
191.01997	6.8
191.05589	2.7
279.06830	0.5
326.32587	0.5
365.92734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63118	0.2
57.26392	0.2
58.44706	0.2
59.01381	1.7
61.31402	0.2
62.36769	0.2
67.85606	0.2
71.01355	0.4
75.00855	0.3
75.96061	0.2
78.95890	9.6
79.95721	2.0
82.95409	1.4
83.01367	0.3
85.02944	0.6
87.00880	0.2
89.02427	0.6
93.03460	0.8
96.95993	100.0
96.96914	15.8
98.95558	0.4
101.02468	0.2
111.04479	0.2
112.51405	0.2
114.05545	0.4
135.04485	0.5
139.03975	0.3
152.01120	0.3
153.01721	2.1
156.06674	0.4
173.04622	0.3
181.07132	0.4
184.98514	0.4
191.05609	1.4
217.05190	0.4
245.24556	0.2
253.35127	0.2
263.05746	0.3
301.07349	1.2
317.08524	0.4
338.13257	0.2
345.06448	1.3
359.07574	0.2
377.09201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03442	0.8
59.01372	3.4
71.01367	11.4
73.02943	2.5
81.03468	0.5
83.01385	2.0
83.05043	0.8
85.02933	6.3
89.02407	0.4
93.03428	4.3
95.01353	0.6
99.00874	0.7
101.02423	4.9
106.04230	13.1
107.05024	24.5
107.05751	0.8
108.02180	3.3
109.02989	0.9
111.04521	0.6
113.02441	5.5
121.02932	3.2
135.04572	0.6
138.03198	0.7
150.99013	0.4
159.02971	0.9
161.04514	7.3
191.05704	0.4
208.96971	0.4
213.09215	100.0
214.09579	0.9
298.25211	0.4
350.82867	0.4
357.51559	0.4
375.14648	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	375.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90175	0.5
55.01877	1.0
57.03444	1.4
58.00599	1.1
58.67509	0.6
59.01374	76.2
60.99308	2.8
62.29525	0.5
64.06034	0.5
71.01367	31.1
71.01743	1.2
72.99303	1.2
73.02934	1.3
83.01388	3.3
84.03848	0.5
85.02927	9.2
86.13453	0.6
88.98787	8.0
89.02428	28.4
92.85133	0.6
95.01376	3.8
101.02427	16.5
113.02425	11.4
119.03466	7.7
141.00398	0.7
152.36438	0.7
167.10754	3.3
181.12354	0.8
183.13847	1.1
191.05579	4.0
195.13918	14.1
201.14963	3.6
213.14923	4.6
215.53711	0.7
285.04044	9.8
375.20236	100.0
376.16418	1.3
376.20728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03441	1.0
59.01376	100.0
62.20823	0.2
68.87052	0.2
71.01374	8.8
71.01749	0.4
73.02939	3.5
83.01376	2.5
85.02939	6.0
85.59646	0.2
89.02437	0.5
92.99457	0.2
95.01382	0.3
99.00854	1.3
99.08171	0.3
101.02423	7.4
113.02422	2.5
150.32004	0.2
159.02815	0.2
161.04613	1.8
164.28966	0.3
171.13916	0.5
206.84262	0.3
268.94308	0.2
315.18170	0.4
333.19186	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	375.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61336	0.5
59.01376	100.0
61.98823	8.7
65.66066	0.4
65.82935	0.5
71.01380	2.9
73.02936	0.6
76.31777	0.5
78.95893	4.2
82.38930	0.6
82.95415	0.8
83.05055	0.6
83.16126	0.5
85.02946	0.9
95.56146	0.5
96.95986	20.1
96.96915	4.7
101.32012	0.5
107.05003	2.3
108.02157	1.0
109.02919	0.7
111.04535	0.7
113.02454	0.7
120.02170	2.5
120.45551	0.5
123.04543	2.4
130.59233	0.5
134.03754	0.6
135.04532	2.3
135.53496	0.5
138.03209	8.8
152.01048	0.8
153.05559	60.2
154.01704	0.5
161.04532	3.0
165.01901	0.5
167.03487	4.8
179.03499	1.0
191.05602	3.4
206.82646	0.6
301.68607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49781	1.0
53.08523	1.0
55.01880	1.7
57.03440	2.5
58.00592	6.4
59.01379	100.0
61.32393	1.1
71.00976	2.1
71.01372	58.7
72.99297	5.0
73.02943	5.1
78.95898	12.2
83.01365	7.4
84.86182	1.2
85.02945	13.2
87.00862	7.8
89.02427	61.6
93.03439	1.5
95.01382	6.6
96.95990	81.6
96.96912	17.4
101.02423	26.1
103.03935	1.7
108.02167	6.6
111.00847	1.6
111.02022	1.7
113.02433	19.4
117.03430	12.6
119.03477	23.0
119.04980	4.6
121.02956	5.0
122.03722	4.9
123.04497	5.3
123.66064	1.4
127.00294	1.5
131.03520	1.4
133.02928	5.7
134.03775	1.4
135.04474	6.1
143.03491	2.1
145.01770	2.0
145.02936	52.7
146.03731	16.5
147.04507	15.9
149.04587	1.9
150.03236	2.4
152.04764	2.2
153.05521	4.8
161.02419	62.7
161.04533	4.9
162.03203	71.3
163.03938	5.2
164.90826	1.3
165.05585	5.8
177.05527	24.5
179.05582	8.3
180.04266	11.9
184.98506	1.5
189.00294	1.7
191.05557	2.4
193.05920	1.4
195.06616	16.2
205.94151	1.3
213.07727	1.6
357.11914	9.7
377.22467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
57.03446	2.1
58.00598	5.9
59.01375	100.0
62.02338	1.5
65.16163	1.3
71.01366	58.2
71.01742	2.3
72.99282	2.3
73.02935	1.8
78.95892	6.2
83.01377	3.1
85.02946	12.6
87.00874	8.6
89.02429	64.3
92.10265	1.5
95.01375	2.4
96.95984	46.2
96.96976	6.4
98.95620	1.5
101.02431	20.8
108.02187	2.2
108.45128	1.4
113.02444	16.9
114.43166	1.2
117.03433	11.6
118.04729	1.3
119.03457	22.5
119.04910	2.2
121.02886	1.8
121.56754	1.2
122.03686	5.5
123.04514	7.4
130.34004	1.4
133.02986	3.1
134.03706	5.5
135.04515	11.2
136.52786	1.9
138.12164	1.5
145.02943	45.3
146.03703	13.8
147.04553	12.3
149.04565	1.4
152.04745	5.6
153.05617	12.2
159.57732	1.3
161.02417	49.6
161.04449	2.0
162.03215	55.7
163.72250	1.2
165.05457	1.6
177.05565	16.6
179.05595	9.4
180.04236	16.6
191.05576	2.9
193.06068	3.0
194.06360	1.5
195.06593	13.2
315.10886	2.3
317.83334	1.4
357.11893	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82103	0.2
55.01874	0.5
57.03460	0.4
59.01377	100.0
60.01694	0.3
62.79800	0.3
69.03430	0.3
71.01373	9.0
73.02943	3.2
80.33718	0.3
83.01374	1.6
85.02936	3.7
87.00877	0.3
87.57462	0.3
89.02431	2.9
92.46117	0.3
93.03455	0.4
95.01384	0.4
99.00870	1.1
101.02423	4.4
113.02432	3.8
119.03469	0.7
120.72178	0.3
161.04532	2.1
173.04524	1.1
191.05550	0.4
216.13614	0.3
238.88586	0.3
329.10193	0.3
331.17529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69547	0.4
56.12919	0.4
59.01375	1.1
60.99305	20.8
65.46379	0.4
80.47895	0.5
81.16564	0.5
83.01380	0.6
85.06625	0.5
88.98789	100.0
107.01353	2.8
133.02942	13.9
135.04584	0.6
149.02403	2.9
151.00345	6.9
158.01363	0.5
175.03932	4.1
197.06050	0.6
199.03954	2.7
201.01903	1.0
217.05023	1.3
285.04044	76.9
286.04233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0754
Annotation	Puertitol B acetate
Peak:m/z	Relative Intensity
57.03456	4.1
59.01376	28.0
61.98825	1.6
67.01888	1.1
69.03448	1.1
71.01373	5.2
73.02932	1.5
79.95723	1.3
83.05019	1.5
85.02949	8.3
87.00868	1.8
89.02424	3.7
93.03425	8.3
95.05000	8.0
96.95991	100.0
99.00896	1.4
101.02423	1.8
109.02940	5.4
111.04500	6.3
113.02437	2.3
113.06073	7.4
115.00366	2.2
119.03462	1.8
119.04993	1.8
121.06565	2.0
123.08148	1.7
135.04514	3.8
137.09660	1.1
139.07628	1.5
149.06079	12.7
149.09657	3.8
151.07741	1.3
161.02434	4.3
162.82954	1.0
165.09210	1.6
171.11810	3.4
173.04515	10.0
175.02449	1.1
175.03836	1.2
177.01927	1.5
182.66428	1.0
189.12822	32.5
191.05585	28.5
191.07161	1.5
192.05905	1.6
207.13889	1.4
219.02913	1.9
229.01385	1.2
233.04463	1.8
237.03984	3.6
239.36205	1.1
251.12849	17.1
277.03586	1.3
295.11920	14.4
337.05902	6.8
337.09256	1.7
353.06757	2.0
372.95221	1.0
375.07556	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.78262	0.3
55.01887	0.7
59.01377	100.0
60.39615	0.3
61.95773	0.3
67.51704	0.3
71.01377	9.2
73.02934	2.7
83.01391	1.6
84.71545	0.4
85.02948	4.5
85.80624	0.3
89.02440	1.6
92.10863	0.4
99.00846	0.5
101.02442	5.7
110.29941	0.4
113.02451	3.6
141.44012	0.4
143.75465	0.4
146.85228	0.4
159.02864	0.4
161.04561	3.3
167.50121	0.3
203.88007	0.4
292.60999	0.4
331.17673	2.2
348.71848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03455	0.5
58.00597	0.9
59.01373	100.0
69.03445	0.7
71.01368	30.3
72.79591	0.5
72.99299	0.8
73.02931	40.3
75.51499	0.5
83.01372	9.0
85.02931	4.7
87.00855	1.2
89.02422	11.6
93.03460	0.5
95.01365	0.6
101.02422	30.6
103.87342	0.5
110.83762	0.6
113.02421	10.2
119.03506	3.8
121.02924	3.7
131.03456	1.3
140.89758	0.6
143.03470	1.2
147.04422	0.9
149.04536	1.1
155.03540	0.6
155.10797	1.0
161.04520	4.0
179.05608	1.2
185.11920	0.6
199.09712	0.7
208.03828	0.9
233.80968	0.6
240.04097	0.7
242.25742	0.5
254.05682	0.9
269.08258	9.4
271.09628	1.0
299.09268	8.5
314.11572	7.4
329.13943	9.1
331.17450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.58236	0.2
55.01881	0.4
57.03447	0.5
59.01382	100.0
60.01694	0.3
66.80180	0.3
68.31995	0.2
70.08793	0.2
71.01379	9.0
71.01747	0.4
72.99286	0.4
73.02936	3.4
77.53973	0.2
78.66173	0.2
83.01385	1.5
85.02935	2.9
89.02441	6.4
92.10844	0.6
95.01382	0.4
101.02425	5.4
111.15178	0.3
111.69877	0.3
113.02445	3.4
119.03486	2.2
161.04570	1.2
179.05490	0.3
190.41455	0.2
331.17587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03426	0.4
58.00586	0.5
59.01374	100.0
67.28351	0.3
71.01367	11.8
72.99301	0.5
73.02930	12.6
73.03324	0.5
74.99077	0.5
83.01367	2.7
85.02934	3.0
89.02430	7.4
89.64796	0.3
92.10200	0.7
95.01389	0.5
101.01815	0.5
101.02425	9.8
113.02435	4.5
119.03461	2.4
131.03487	0.5
132.04510	0.7
143.03513	0.4
152.07129	0.5
161.04515	1.5
163.74419	0.3
179.05472	0.4
341.11490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81445	0.5
55.01879	1.8
57.03445	0.7
59.01374	100.0
62.00016	0.4
71.01371	12.0
73.02934	3.5
74.99081	0.3
82.35255	0.3
83.01375	2.0
85.02940	6.0
87.00877	0.6
89.02439	1.4
95.01422	0.4
99.00867	0.9
101.02428	6.9
113.02441	4.3
125.99319	0.4
132.23384	0.4
161.04535	3.7
172.62230	0.4
228.05156	0.3
276.53503	0.4
285.76971	0.5
327.36591	0.4
331.17593	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	373.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01731	0.3
71.01371	3.3
73.02952	0.8
76.55919	0.3
85.02957	1.7
99.00877	0.5
101.02434	2.3
113.02428	0.5
131.09088	0.3
161.04510	0.8
178.29564	0.3
209.11781	0.7
225.14975	36.2
227.12888	0.4
251.12846	0.4
269.13889	6.2
287.14899	0.7
329.16061	4.8
331.17542	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	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
71.01367	2.0
71.30772	0.3
73.02932	0.4
83.01411	0.4
85.02950	1.2
87.87402	0.3
88.57842	0.3
89.02452	0.3
91.01874	3.3
92.10107	0.5
93.03432	3.4
101.02418	2.0
107.05025	0.3
113.02462	1.2
119.01385	2.4
120.99616	0.5
121.02915	3.9
137.02426	2.8
151.03992	57.0
161.04549	2.4
191.05646	0.6
222.92613	0.3
229.08379	0.3
257.31375	0.3
281.06540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
59.01368	1.6
64.33164	0.1
67.01866	0.2
69.03445	0.2
71.01367	1.1
73.02943	0.5
81.03425	0.3
83.05031	0.6
85.02937	10.8
87.00863	2.1
92.10757	0.1
93.03440	3.5
99.04497	0.4
109.02927	0.8
110.00015	0.1
111.04500	1.2
113.02441	0.1
127.03988	3.3
135.57954	0.1
137.02460	0.2
143.03514	0.1
155.03395	0.1
157.57597	0.1
171.03018	0.8
172.64748	0.1
173.04503	1.5
191.05598	100.0
192.05916	0.4
231.53510	0.1
379.89813	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	371.3164
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
50.18415	0.9
54.18289	1.2
54.81684	1.1
59.01373	100.0
61.98817	1.4
62.00759	1.1
63.40039	1.0
67.70311	1.1
68.44051	1.2
76.03231	1.1
76.47678	1.1
79.97595	1.1
92.10130	2.5
97.67665	1.1
158.11623	1.4
186.12589	1.1
191.05492	1.5
195.57816	1.1
267.26935	4.3
325.31128	2.3
371.31625	19.8
381.85876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03441	2.3
58.00603	1.7
59.01374	100.0
59.10034	1.0
62.65014	1.1
63.34595	1.0
68.63808	1.1
69.67645	1.0
71.01372	41.8
71.01746	1.8
72.99300	6.5
73.02942	4.7
75.00854	11.8
80.06167	1.2
83.01371	2.8
85.02932	26.3
86.93746	1.3
87.00872	8.3
89.02426	40.5
93.03427	8.6
95.01372	6.5
96.95976	1.5
99.00857	6.1
101.02426	20.1
108.23907	1.2
109.02958	7.1
109.06576	2.1
111.00887	2.9
111.04538	1.5
113.02423	21.9
117.01928	1.3
119.03476	13.1
119.04944	1.6
121.02927	55.2
121.03778	1.9
125.02390	1.2
127.07620	15.8
128.07951	1.2
133.02951	2.5
135.04506	11.7
137.02431	2.4
147.08127	2.4
149.02411	2.1
150.77919	1.1
156.53279	1.8
163.03923	1.4
163.14545	1.3
171.06572	10.6
175.02374	2.1
175.03975	1.4
177.05547	5.1
179.03523	1.4
179.05600	1.5
181.07118	2.3
184.02731	1.2
184.52824	2.2
191.03754	1.7
191.05589	50.9
191.07059	2.8
192.05925	2.6
193.06323	2.0
198.07687	1.3
221.04509	15.0
249.06029	10.2
275.09943	1.2
278.38715	1.4
289.56717	1.7
311.07831	10.8
333.12161	2.6
353.08755	2.5
371.09610	33.0
371.13480	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04285	0.4
57.68962	0.5
59.01375	100.0
64.48240	0.5
66.94349	0.5
67.18680	0.6
68.59051	0.5
71.01376	0.9
85.02958	1.0
93.03461	1.4
95.23167	0.5
122.06128	3.6
135.04578	1.0
145.02997	0.7
146.03703	1.0
152.07184	3.9
162.05595	3.5
190.91631	0.6
191.05600	9.4
205.05049	3.6
206.04599	0.8
207.13896	6.0
225.14876	2.4
227.03307	0.8
234.48418	0.8
266.97986	0.6
267.15976	1.2
280.95407	0.5
311.15060	1.1
371.12421	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	371.3166
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
53.90354	2.9
61.98816	3.9
68.10015	4.0
71.01376	5.0
86.30799	3.5
92.10081	7.5
191.05447	5.4
225.23280	4.4
302.64603	4.1
307.30185	9.4
323.95340	4.3
326.25040	3.9
342.49957	4.2
371.31702	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79051	0.7
55.01886	1.5
57.03447	2.2
57.21185	0.7
57.56567	0.8
58.00605	1.1
59.01377	100.0
64.06529	0.9
67.01894	1.4
71.01369	34.7
71.01736	1.3
72.99315	5.4
73.02940	2.2
75.00859	13.1
83.01381	1.1
85.02942	27.0
87.00866	10.7
89.02432	27.8
93.03448	9.8
95.01376	6.6
99.00883	6.6
101.02428	14.3
103.00352	1.9
109.02943	1.9
109.06583	9.5
111.04513	1.3
113.02443	27.0
115.00367	2.1
117.01052	0.8
117.01919	3.3
119.03503	11.3
119.05022	1.8
121.02937	80.9
127.07639	36.3
133.02956	3.4
135.04568	6.3
137.02525	0.9
147.08142	1.4
161.02440	1.3
171.06636	23.4
173.04527	2.0
175.02412	1.3
175.03992	1.0
179.03510	1.3
179.05663	1.4
181.07167	1.8
184.02675	5.7
184.52843	4.4
191.05602	41.9
191.07043	1.9
192.05962	5.1
193.06131	3.5
231.05147	1.8
249.06116	17.1
273.66180	1.1
289.06500	1.9
289.56616	5.0
313.06653	1.2
314.14285	0.9
333.11914	4.5
353.08698	4.2
371.09720	44.8
371.13589	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57754	1.0
52.60494	1.0
53.61992	1.0
55.01870	1.7
57.03451	3.1
59.01374	100.0
67.01885	1.8
69.03446	1.3
71.01369	40.1
71.01744	1.8
71.67016	1.1
72.99309	7.4
73.02938	1.7
75.00851	14.9
83.01396	2.6
85.02936	29.1
87.00877	7.2
88.40070	1.2
89.02420	33.4
89.60931	1.0
93.03436	12.2
95.01384	6.7
96.96029	1.3
99.00864	10.6
101.02412	17.5
103.00379	1.5
108.24853	1.3
109.02937	2.8
109.06572	7.4
113.02442	28.9
113.69176	1.4
115.00385	2.0
117.01944	2.1
119.03476	7.8
119.04984	1.6
121.02936	74.4
127.07608	32.8
133.02954	2.8
135.03610	1.5
135.04442	9.3
140.16806	1.3
141.09262	1.4
171.06595	24.8
173.04564	1.8
175.02417	2.1
179.03464	2.2
179.05606	1.8
181.07162	1.7
184.02766	5.0
184.52873	3.0
191.03925	2.2
191.05602	50.9
191.07153	2.0
192.05930	1.6
231.05148	1.4
249.06137	14.8
289.56552	5.3
333.11893	6.8
353.08521	2.2
371.09692	49.4
371.13589	36.7
387.50092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78077	0.2
53.13681	0.2
54.81453	0.2
59.01371	1.7
60.99309	0.3
67.01894	1.0
69.03449	0.2
70.77583	0.2
71.01380	1.0
73.02952	0.4
75.83553	0.2
81.03439	0.4
85.02936	9.0
87.00857	4.5
93.03437	7.8
98.98516	0.2
99.04467	0.3
109.02956	0.5
109.32653	0.3
111.04504	2.1
127.03998	2.4
129.82335	0.2
133.02917	1.0
135.04494	8.8
137.02414	1.2
155.03506	0.3
161.02423	3.6
171.03006	0.5
173.04509	3.1
179.03459	0.4
187.93050	0.2
189.04065	0.3
191.05592	100.0
192.05902	1.2
341.08728	0.4
353.08798	3.0
371.09818	9.9
393.24570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57346	0.2
51.29950	0.2
51.57511	0.2
51.69676	0.2
52.93256	0.3
59.01385	1.1
60.13428	0.2
60.99318	0.3
62.03038	0.2
67.01881	1.2
69.03416	0.2
71.01396	1.0
72.35171	0.2
73.60815	0.2
79.46230	0.2
82.25790	0.2
83.05012	0.3
85.02938	8.3
85.03419	0.4
87.00852	2.6
92.10131	0.5
93.03439	8.0
109.02950	1.4
111.04514	1.4
127.03992	2.9
128.08356	0.2
133.02904	0.4
135.04500	7.6
137.02403	1.4
145.52777	0.3
161.02426	3.1
171.03046	0.9
173.04500	3.4
179.03671	0.2
191.05597	100.0
192.05969	1.0
341.08765	0.3
353.08740	3.2
371.09802	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76806	0.4
55.01874	0.8
55.90350	0.4
57.03446	3.3
59.01383	22.4
67.01887	1.1
68.99826	2.3
69.03448	1.0
71.01375	17.7
72.99301	5.0
73.02949	2.6
75.00867	16.5
81.03433	1.1
83.01392	1.1
83.05015	1.0
85.02949	18.7
87.00861	7.6
89.02420	5.1
93.03462	3.8
95.01394	4.5
99.00867	11.2
103.00324	1.8
109.02948	0.7
111.00862	1.2
111.04510	0.9
113.02442	17.3
115.00344	1.1
117.01958	3.6
121.02937	100.0
129.01898	0.7
133.02913	0.6
135.04524	11.0
137.02356	0.7
161.02402	2.9
175.02446	2.2
177.78470	0.5
179.03490	8.2
191.05603	2.2
195.39127	0.5
231.05075	5.4
236.46741	0.5
249.06129	49.1
250.06421	0.6
335.07709	6.6
353.08640	1.9
371.09830	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.3
59.01389	2.5
65.03971	0.7
67.01908	1.5
69.03461	0.4
69.47886	0.3
71.01369	0.8
77.76746	0.3
79.01903	0.3
81.03436	2.5
83.05044	0.6
85.02951	14.2
87.00869	4.3
89.98708	0.3
92.10764	0.4
93.03439	11.6
99.04491	0.4
107.05017	0.7
108.02171	3.9
109.02943	20.3
111.04525	2.1
121.02868	0.4
123.04510	2.0
127.03989	2.7
133.02943	17.1
136.01682	3.4
138.94405	0.4
139.04051	0.5
142.71051	0.4
149.02481	0.6
151.04022	8.0
155.03474	0.8
164.16412	0.3
171.02908	0.4
173.04520	4.1
177.01930	7.7
191.05603	100.0
192.05939	0.5
233.06490	0.6
369.08441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
57.33605	0.3
59.01381	2.0
59.01625	0.2
60.79391	0.2
60.99307	0.3
61.39321	0.2
61.98837	0.3
63.70689	0.2
67.01897	1.0
71.01377	1.0
73.02946	0.4
83.05013	0.3
85.02940	10.3
87.00855	2.5
93.03436	7.7
99.04478	0.2
105.03451	0.4
109.02950	1.4
109.67609	0.2
110.06031	0.3
111.04497	2.2
127.03989	2.9
133.02931	24.8
141.93176	0.3
151.04002	3.9
171.02983	1.1
173.04538	3.1
177.01886	4.0
191.05598	100.0
192.05939	0.9
195.02930	0.4
202.03722	0.2
259.47299	0.2
342.77377	0.2
351.07422	0.4
369.08322	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59384	0.5
59.01374	100.0
71.01350	2.1
80.81618	0.6
81.65838	0.4
85.02934	0.9
89.02439	0.6
101.02396	0.9
113.02428	2.2
119.05009	0.5
147.04510	67.3
148.04858	0.8
161.06052	3.3
166.35258	0.5
188.30017	0.5
189.05545	1.1
191.05579	0.9
387.50958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2198
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
59.01382	0.5
59.70433	0.4
61.98815	2.9
62.74490	0.4
78.95892	100.0
95.96166	1.0
96.96947	29.0
109.11407	0.4
151.49657	0.5
235.69667	0.5
276.77740	0.5
323.09930	0.5
369.22015	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	369.0248
Annotation	DIOXINODEHYDROECKOL
Peak:m/z	Relative Intensity
54.48874	0.3
55.71596	0.4
59.01381	0.8
59.44909	0.3
61.98827	0.8
63.21879	0.3
64.32630	0.3
71.01376	0.4
96.12705	0.3
120.00632	0.4
133.02888	0.5
136.84111	0.3
143.05066	0.4
153.03458	1.5
169.02983	2.9
171.91885	0.5
181.02943	6.6
185.02419	0.4
191.05563	2.2
197.02426	9.3
209.02505	3.9
210.03070	0.4
225.01933	27.4
226.02489	0.5
237.01932	5.7
253.01416	33.3
254.01828	0.5
265.01465	3.5
281.00891	21.2
282.01654	7.5
303.22089	0.3
309.00406	100.0
310.00726	1.7
333.17093	0.7
341.02728	0.4
369.02509	77.6
370.02734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0248
Annotation	DIOXINODEHYDROECKOL
Peak:m/z	Relative Intensity
54.81982	0.2
59.01385	0.2
61.98811	0.2
101.71922	0.2
126.77142	0.2
133.03008	0.3
137.03964	0.3
141.03439	0.3
153.03406	1.9
157.02878	0.4
169.02910	2.9
171.04442	0.4
181.02933	4.9
185.02417	0.3
191.05641	0.5
197.02434	10.5
198.03116	0.4
202.02823	0.2
209.02473	3.8
210.03102	0.2
213.01817	0.3
225.01927	24.5
226.02583	1.4
237.01898	5.1
253.01416	31.9
254.01964	0.5
265.01401	2.8
278.99377	0.4
281.00903	23.4
282.01700	6.7
306.99063	0.4
309.00412	100.0
310.00769	1.7
341.02930	0.3
369.02518	82.2
370.02640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18648	0.2
59.01381	0.3
61.98823	100.0
64.33170	0.3
79.27797	0.3
111.57632	0.2
191.05551	0.4
212.87701	0.3
223.09424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36946	0.4
56.79759	0.4
57.03452	0.6
57.50315	0.5
59.01378	2.0
59.34919	0.4
60.99318	0.5
67.01884	4.5
68.52563	0.5
69.03450	0.8
71.01389	2.7
73.02962	0.6
81.03453	1.2
83.05037	1.1
85.02946	17.2
85.03420	1.0
87.00873	7.8
92.22718	0.5
93.03442	25.5
94.03728	0.6
94.48269	0.5
99.00853	0.5
105.03442	2.4
109.02938	9.0
111.04506	5.6
115.27222	0.5
123.04508	0.6
127.03979	3.3
133.01933	0.9
133.02937	20.6
135.04500	0.7
139.03999	0.7
139.61954	0.5
155.03499	0.7
157.02902	6.5
158.03297	0.6
159.04512	2.4
171.03064	0.7
173.04546	12.5
177.01910	2.0
185.02400	0.6
191.05600	100.0
192.05940	6.7
195.02951	1.0
208.09576	0.6
210.44096	0.6
215.05594	1.3
229.01393	36.9
230.01715	4.6
265.04974	0.8
267.06534	2.1
277.04984	1.2
293.04431	2.7
294.04977	0.8
295.06094	3.0
321.04120	5.2
337.03592	0.9
338.04462	4.1
339.05081	9.1
351.07202	3.9
352.07999	2.5
368.09277	2.2
368.59161	0.6
369.08188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	24.5
59.01391	32.8
59.62050	23.4
59.91112	19.2
62.59993	19.8
66.23403	22.5
76.55678	20.2
85.02936	29.0
114.80294	21.5
125.02415	55.1
149.16840	26.2
191.05582	100.0
201.70747	23.5
206.67593	25.0
247.47128	23.1
296.03125	26.8
367.15076	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28946	0.1
59.01381	1.3
70.88200	0.1
90.80022	0.1
92.10133	0.1
109.17123	0.1
121.02930	0.9
122.03680	0.2
128.47874	0.1
138.95926	0.1
143.74893	0.1
147.04524	1.6
148.05290	100.0
149.05615	0.9
158.89114	0.1
163.07631	41.6
164.07877	0.2
191.05580	0.2
238.08644	0.1
341.99115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1394
Annotation	2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00584	2.3
59.01377	99.3
62.67468	1.1
70.74879	1.1
71.01369	33.4
71.28049	1.0
72.99281	1.8
78.91876	2.5
83.01390	1.5
85.02934	9.4
89.02429	40.1
95.01373	5.5
101.02425	20.2
106.04265	2.8
113.02437	16.3
119.03457	9.9
119.89818	1.2
121.02936	2.2
148.05368	1.6
152.44640	1.2
161.09680	23.0
163.07700	2.7
189.09151	1.2
203.10916	1.7
205.08694	61.7
211.32204	1.3
217.08771	1.9
217.66533	1.3
219.10242	6.0
247.09773	33.7
277.10760	3.0
285.04181	2.0
307.11890	14.3
365.62476	1.3
367.13974	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	367.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.5
84.79566	4.9
87.00855	6.3
92.10881	16.0
93.03452	5.9
97.04035	5.8
101.34826	4.6
101.73449	5.0
133.02960	5.7
134.03696	35.7
135.04506	100.0
139.83476	5.1
149.06044	8.6
154.47462	4.9
155.05147	5.3
161.02431	28.2
179.03433	45.4
191.05609	21.4
193.05042	6.0
367.10342	56.7
377.87738	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	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81398	0.2
53.55767	0.2
59.01379	1.8
60.03425	0.3
60.03778	0.2
60.69302	0.2
62.01167	0.2
75.72762	0.2
85.02940	5.9
87.00871	1.5
89.03928	0.3
91.05492	0.5
93.03451	1.9
107.05001	1.9
108.02180	0.3
109.02953	0.4
117.03442	0.6
127.03992	0.6
128.32881	0.2
132.02191	0.2
133.02936	11.0
134.03712	8.2
135.04501	100.0
136.04852	0.3
137.02420	1.0
160.01645	0.3
161.02419	22.4
173.04506	0.5
175.04015	0.5
179.03474	45.5
191.05603	3.6
193.04968	0.5
202.02611	0.3
233.25426	0.3
281.59821	0.3
283.22769	0.2
367.10318	44.8
368.10532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81652	0.3
55.87927	0.3
59.01373	0.6
83.10533	0.3
85.02934	5.5
87.00873	1.1
91.05535	0.4
92.10166	0.4
93.03448	1.2
107.05024	1.5
111.04510	0.3
117.03438	0.4
123.77934	0.3
125.39761	0.4
133.02930	11.7
134.03719	8.9
135.04503	100.0
136.04828	0.6
137.02431	0.6
161.02422	24.0
173.04617	0.4
175.03941	0.6
179.03479	46.4
180.03883	0.4
190.50423	0.3
191.05614	2.6
196.89812	0.3
367.10318	49.7
368.10471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13972	0.5
57.03446	15.9
58.00581	0.5
58.02962	0.8
59.01375	100.0
63.23972	0.5
69.03442	5.0
71.01372	14.3
71.05015	1.4
72.99301	1.1
73.02950	2.5
78.95921	0.8
83.01411	1.2
84.56854	0.5
85.02934	7.7
87.00862	35.8
87.86687	0.6
89.02429	11.9
93.03452	1.1
95.01424	0.8
96.95993	1.2
96.96894	0.6
98.95591	1.2
99.04502	20.2
99.05111	1.1
100.57198	0.6
101.02423	27.0
110.81114	0.5
111.00888	1.1
112.98793	1.3
113.02428	7.5
115.04023	0.7
116.01784	0.9
117.02016	0.6
119.03471	4.7
127.00269	0.6
143.03503	1.3
145.05084	1.2
151.03998	0.7
157.01410	1.2
161.04539	42.2
163.06126	1.1
169.01402	0.6
171.13258	0.6
173.00795	1.0
175.02448	10.1
179.05577	2.7
191.05585	4.3
215.31892	0.6
307.10364	12.3
315.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
71.14340	2.7
95.13644	2.8
133.02951	5.4
142.36591	2.8
199.13373	30.9
347.25711	3.5
365.26947	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	366.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15404	0.1
59.01371	0.3
61.98814	0.2
88.41399	0.1
99.97757	0.1
110.53303	0.1
116.05058	3.9
132.04506	0.2
159.03285	0.7
160.04025	100.0
161.04364	1.1
168.24606	0.1
199.43655	0.2
204.03004	2.8
208.15417	0.1
366.08298	13.9
367.08548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81448	1.0
55.01880	1.1
57.03460	1.2
58.00576	0.8
59.01373	46.8
60.01713	2.0
60.70483	0.7
60.99314	0.9
64.45025	0.9
67.01891	1.7
67.12310	0.7
70.93247	0.7
71.01367	18.9
71.01743	0.9
72.01746	1.1
72.99310	3.8
73.02957	1.0
75.00876	3.7
81.03451	1.3
83.01380	1.7
85.02937	22.0
86.03295	1.2
87.00869	9.1
89.02419	15.7
90.02758	2.7
93.03428	13.9
95.01366	1.3
101.02426	9.9
102.02752	1.6
109.02955	1.2
111.00889	3.9
111.04528	1.5
113.02460	7.1
116.05002	7.5
119.03478	4.9
119.05022	4.2
123.04527	4.6
124.04829	1.6
127.03996	2.2
128.05032	1.1
130.06595	1.1
135.04532	1.6
142.06604	66.3
154.99826	0.9
155.03435	1.0
155.10779	1.6
157.12296	10.1
158.06047	9.0
158.12669	6.4
160.45605	0.8
163.04048	1.1
167.03441	10.4
168.03802	10.0
173.04541	4.3
185.11842	1.0
186.05565	23.7
191.05594	100.0
192.03944	1.9
192.05965	7.2
203.12872	23.2
204.06664	16.0
204.13210	21.8
205.03070	1.9
233.02252	1.0
234.03241	1.1
235.03940	2.0
251.03642	1.3
261.01865	1.5
263.03461	24.1
263.74063	0.9
264.03995	5.6
265.04974	1.3
289.01324	6.8
290.01819	1.1
291.02917	9.0
306.01407	1.0
329.08725	1.1
330.09113	4.3
334.01163	2.0
335.01971	40.3
336.02353	6.5
365.18130	20.4
366.11929	39.0
366.18524	58.8
367.08618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03445	42.3
59.01375	56.8
69.03439	1.1
71.01367	8.4
72.66500	0.7
72.99333	0.9
73.02947	1.5
74.39767	0.7
75.00874	0.9
77.65844	0.6
78.95898	0.6
85.02936	5.8
87.00860	19.8
89.02419	7.4
96.96006	3.1
98.95576	1.1
99.00831	0.9
99.04503	57.8
101.02427	30.4
103.71488	0.6
111.20753	0.7
113.02431	7.1
119.03458	1.4
129.01958	0.7
134.70239	0.7
143.03502	2.5
145.05054	1.5
157.01395	1.1
161.04539	100.0
169.01387	0.7
173.00806	1.0
175.02423	6.9
184.19984	0.6
191.05618	5.0
255.03824	0.7
267.07190	0.9
303.81226	0.6
307.10410	7.6
349.27063	0.7
381.37018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01367	1.0
60.99303	1.0
67.01879	6.9
69.03449	3.0
71.01384	2.8
72.45793	0.4
72.84835	0.4
81.03457	1.0
83.05031	1.0
85.02941	8.8
87.00861	10.7
93.03439	43.7
99.00889	0.9
99.04504	0.6
109.02982	0.5
111.04505	5.4
113.02444	0.6
117.03453	2.0
118.78419	0.5
127.04019	2.0
129.01964	1.0
134.03720	20.5
137.58054	0.5
149.06023	0.8
155.03476	1.1
160.01680	0.6
173.04509	12.1
176.36768	0.5
191.05597	100.0
193.05060	7.8
197.35178	0.5
367.10345	5.4
367.35370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0875
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
50.91171	0.2
59.01374	0.3
63.14412	0.3
63.31268	0.3
63.52683	0.3
88.02659	0.3
90.27308	0.3
93.43650	0.3
124.78516	0.4
145.02934	0.5
147.04553	0.4
158.03697	18.1
159.04509	7.5
165.27003	0.4
171.04468	2.3
175.04001	0.5
201.05550	2.0
202.02707	100.0
203.03441	3.5
213.05554	2.1
231.06764	0.5
261.67419	0.4
275.05521	1.7
365.08734	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	51.6
71.01419	0.2
101.02393	0.3
123.39700	0.2
125.02474	0.3
140.55476	0.3
143.05017	100.0
144.05399	0.3
175.69296	0.2
177.18340	0.2
187.80034	0.3
191.05679	0.3
328.19946	0.2
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
59.01374	100.0
71.01037	0.6
71.01357	6.2
73.02958	0.9
85.02956	3.7
87.00875	1.1
89.02439	6.9
93.03472	0.8
101.02443	4.6
112.72718	0.5
113.02436	3.5
117.05588	0.9
119.03486	3.1
120.99615	0.6
123.87807	0.6
161.04533	2.4
177.85905	0.7
179.05580	1.3
191.05595	2.7
229.36249	0.7
236.25998	0.7
305.15985	4.4
336.82309	0.6
365.18063	0.7
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
51.74943	0.4
55.01877	0.8
56.46727	0.4
57.03445	1.0
58.00578	0.5
58.87863	0.4
59.01375	47.1
63.21507	0.4
64.81618	0.4
67.21203	0.4
71.01366	15.5
72.22759	0.5
72.99300	1.8
73.02940	0.6
79.65546	0.4
82.45420	0.4
83.01374	1.9
85.02927	5.6
87.00864	2.3
89.02424	17.3
95.01359	0.6
97.28876	0.4
99.00864	0.7
99.95736	0.5
101.02426	11.1
108.61157	0.4
113.02433	6.2
113.09714	2.1
119.03481	5.9
123.04522	1.0
127.11234	2.4
131.46429	0.4
135.04524	1.6
139.11275	0.7
141.09163	0.5
150.83386	0.5
155.10770	3.7
157.10983	0.9
157.12311	22.2
167.03506	5.1
171.13832	1.7
185.11813	3.1
187.13391	1.1
191.03537	1.0
191.05542	4.0
199.13367	2.0
201.11369	0.5
203.12878	53.4
245.13823	0.9
263.03476	0.8
270.07520	0.5
325.64462	0.5
329.08670	0.7
335.01947	0.8
340.84579	0.4
365.18152	100.0
366.18915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03450	1.4
58.00597	1.1
59.01376	42.6
71.01372	17.4
71.05006	0.6
72.68820	0.2
72.99300	0.6
73.02957	1.1
78.12675	0.2
82.32775	0.2
83.01360	1.9
85.02940	5.2
87.00858	1.2
89.02428	17.5
92.10817	0.9
95.01393	1.4
96.25914	0.3
101.02426	12.1
111.00853	0.3
113.02434	6.5
119.03474	6.7
119.04909	0.3
127.11249	5.1
127.12064	0.3
131.03484	0.4
135.04515	1.0
137.09718	0.3
139.11261	1.2
155.10767	2.9
157.12328	22.6
171.13902	1.6
172.10588	0.3
185.11830	2.4
187.13356	1.6
191.05650	0.3
199.13362	1.8
203.12891	53.8
204.13165	0.4
245.13907	1.7
365.18158	100.0
366.18451	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03447	1.8
57.54200	0.3
58.00602	0.3
59.01376	17.1
59.01675	0.6
61.98822	0.3
63.93081	0.3
71.01373	11.6
71.01747	0.6
72.89017	0.3
72.99296	20.1
73.02937	4.9
83.01383	4.2
85.02940	8.4
86.00123	0.5
87.00873	1.5
89.02431	2.6
95.01371	1.4
97.02945	0.4
99.00875	2.1
101.02428	13.4
111.00868	0.4
113.02436	4.3
119.03487	0.6
120.99653	0.6
155.10777	0.6
159.02939	0.5
161.04607	0.6
183.10204	2.6
191.05699	0.4
201.11327	3.3
243.58273	0.3
345.15463	2.2
363.16620	100.0
364.16946	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
59.01373	100.0
63.87837	0.3
71.01372	0.8
73.02942	0.8
73.93517	0.4
85.02927	0.7
93.03423	0.7
101.02422	0.9
111.04520	0.4
135.04489	1.9
139.11261	10.6
139.59061	0.4
161.86073	0.4
176.03972	2.5
179.03487	0.7
183.10255	5.5
191.05579	8.7
192.06009	0.6
201.11316	18.9
206.92723	0.4
210.84473	0.4
267.14078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37512	0.8
59.01376	8.4
61.86267	0.8
61.98841	1.5
71.01375	1.2
91.60566	1.2
93.03445	1.1
96.96024	5.6
113.02438	1.4
114.05592	100.0
128.13176	1.1
133.02960	4.3
144.01334	1.1
151.66469	1.1
156.06650	88.3
167.03368	1.4
170.08234	1.5
191.05608	2.1
226.62108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24043	0.2
59.01376	8.9
61.98824	100.0
71.05022	0.3
90.45597	0.3
104.45847	0.3
191.05533	0.5
200.04845	0.5
229.08699	2.4
296.90857	0.3
301.14374	1.1
328.22076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14619	0.2
59.01397	0.3
59.27660	0.2
61.98824	100.0
75.10329	0.2
82.17801	0.3
88.67081	0.2
154.81886	0.2
200.04723	0.4
200.42905	0.2
219.56277	0.3
228.07776	0.2
229.08678	1.9
256.58875	0.3
266.65417	0.2
301.14444	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22181	0.2
59.75888	0.2
59.99152	0.2
61.98822	100.0
89.78499	0.2
92.10106	0.5
121.02918	0.4
145.13455	0.2
153.61360	0.2
183.13879	0.4
191.11263	0.2
202.26781	0.2
249.81456	0.2
263.43115	0.3
264.20889	0.2
301.16733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93810	0.9
55.01878	1.9
55.76159	0.9
57.03444	9.1
59.01376	9.1
62.56819	0.9
67.01898	1.2
68.99824	1.5
71.01371	36.9
71.01743	1.5
72.99298	7.1
73.02935	5.5
83.01380	8.6
83.05023	1.3
85.02959	6.5
87.00873	6.2
92.64362	0.9
96.59352	0.8
96.95992	7.9
96.96938	3.2
96.99321	1.7
99.00865	34.3
111.00867	17.7
111.04517	5.5
112.98792	100.0
115.00363	5.9
124.98793	6.8
129.01886	8.6
129.05565	2.1
140.98288	1.4
142.99850	63.4
145.01419	4.2
155.03477	20.3
160.31621	1.1
173.00891	57.5
173.04488	14.5
191.02065	1.5
191.05542	11.3
287.30765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08229	0.6
57.03454	1.3
59.01383	100.0
64.36449	0.8
67.01884	0.9
69.51641	0.8
71.01376	20.0
72.99301	1.2
73.02933	1.0
73.65570	0.8
78.06710	0.7
78.95898	1.1
83.05017	0.7
85.02946	12.7
87.00871	5.1
89.02427	20.5
93.03444	10.1
94.03802	1.3
95.01396	1.0
96.95993	11.0
96.96943	1.6
100.99868	0.7
101.02425	10.1
104.46628	0.9
109.02949	1.6
111.04512	1.3
113.02422	6.6
119.03474	7.5
122.06094	32.9
122.06972	1.6
127.04015	1.4
133.02928	0.8
135.04478	1.9
137.02437	10.5
138.02765	1.7
144.98083	0.8
147.50072	0.9
161.02386	1.1
161.04550	3.7
163.03912	1.8
173.02299	1.1
173.04515	1.5
174.03110	1.7
174.77254	0.9
175.03879	1.9
179.05559	10.2
191.05589	43.0
192.05959	9.8
193.05988	1.0
201.01865	1.7
212.55037	0.8
219.02991	1.5
361.58536	1.4
362.09085	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	362.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
96.31595	0.4
134.99754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37722	0.9
55.01878	1.1
57.03456	4.9
59.01382	5.0
63.70397	1.1
64.06075	1.1
67.01894	1.5
69.03448	63.8
71.01390	9.3
72.49417	1.0
75.80958	1.0
78.95900	19.0
82.59760	1.1
85.02942	88.9
96.95995	74.8
96.96934	21.3
99.00896	2.8
111.00869	7.7
112.01634	21.2
112.98803	11.2
113.02434	42.9
115.00394	2.0
138.14413	1.3
145.01486	1.6
155.35367	1.3
157.01401	100.0
158.99644	1.2
172.99422	1.2
173.00839	2.5
173.54532	1.3
174.99265	2.0
175.02496	4.5
198.88475	1.2
205.03517	1.9
242.95354	1.4
320.75104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.2
60.03943	0.3
71.01365	0.6
87.00902	0.3
91.65698	0.3
93.03462	1.8
107.05013	0.4
108.02164	1.9
109.02979	1.3
111.04512	0.7
121.02930	15.9
122.03716	16.4
123.04493	0.8
124.01611	0.8
134.03722	17.8
135.04512	7.6
137.02411	1.9
137.06001	1.3
145.02910	0.4
146.03723	21.2
147.04478	1.5
149.02502	0.5
149.06065	19.9
150.03235	4.0
154.02696	2.4
161.06073	8.6
162.03276	0.6
164.04768	10.6
165.05539	10.0
166.06317	17.5
167.07115	100.0
168.07556	0.4
179.07118	32.9
184.30469	0.3
185.11899	0.4
191.05618	1.5
193.08699	1.7
221.08180	5.1
315.12421	5.0
327.12372	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.00595	0.9
59.01383	51.4
69.03443	0.6
70.96536	0.5
71.01376	21.4
72.99304	5.4
73.02936	0.7
82.09690	0.5
83.01369	1.9
85.02954	3.9
85.06585	0.5
87.00871	0.6
89.02433	19.7
92.10828	1.2
95.01385	1.0
101.02425	13.1
107.08669	3.4
109.10205	1.8
113.02444	8.7
118.31429	0.5
119.03487	5.8
121.10213	1.0
125.09730	0.8
137.09692	0.6
139.11275	2.5
143.03523	0.5
155.10707	2.1
183.10239	54.1
191.05544	0.6
201.11307	16.7
201.60725	0.4
363.16599	100.0
364.16818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96135	0.3
51.62791	0.3
54.81315	0.3
58.88883	0.3
59.01376	100.0
60.06326	0.3
61.66566	0.3
66.08131	0.3
66.91679	0.4
71.01379	0.4
78.73609	0.4
85.02936	0.6
85.43662	0.4
93.03447	1.8
109.02932	0.4
119.04956	0.4
123.04506	0.4
135.04514	0.4
167.03407	0.4
173.04524	0.8
191.05573	4.8
285.08688	0.7
383.22095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
54.81458	0.4
58.00594	0.4
59.01371	7.7
60.28785	0.3
67.01890	0.3
69.03442	0.5
71.01369	3.6
72.03860	0.3
73.02942	0.7
83.05029	0.6
85.02943	1.9
89.02441	1.9
93.03435	0.8
101.02415	1.3
102.12636	0.3
113.02437	2.2
114.44802	0.3
119.03477	0.4
135.04439	0.5
137.09698	10.0
154.73514	0.4
155.10765	100.0
156.11034	0.5
169.12335	2.6
179.10745	1.6
181.08691	1.7
191.05649	2.8
197.11859	0.6
199.09747	68.4
223.09723	2.0
241.10849	0.6
270.05380	0.5
285.07660	1.3
300.09818	0.5
302.34680	0.4
331.11816	0.4
361.15097	1.9
361.22321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72163	0.4
59.01383	26.3
60.01716	0.4
71.01371	0.8
75.28575	0.4
92.10844	1.0
156.69640	0.6
275.20300	0.5
277.21698	100.0
278.21991	1.7
359.22052	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	359.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81991	11.1
59.01376	100.0
61.98851	16.9
68.92000	11.5
78.22624	12.3
92.10218	16.7
153.66443	13.1
174.99168	15.4
217.00314	51.4
219.65810	14.2
297.97000	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	361.0926
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
57.03450	1.9
59.01375	3.9
67.67764	0.7
69.03443	1.0
69.71896	0.8
71.01387	4.6
72.99300	24.8
75.00858	9.3
85.02953	3.4
87.00886	3.4
93.03444	5.6
99.00922	1.1
115.86691	0.8
119.05049	1.0
129.01913	1.1
136.43871	0.8
177.04021	10.9
181.06615	3.6
183.10271	5.2
187.82527	0.8
191.05681	0.8
193.06615	9.8
199.07669	1.0
207.08127	15.0
209.06068	3.5
211.07681	4.7
219.08147	21.3
223.07599	4.3
224.08488	3.1
225.09200	13.3
227.06979	1.1
235.07584	13.7
237.05579	2.6
237.09201	48.2
241.08664	3.9
251.07178	1.6
253.08685	39.6
255.06606	3.5
255.10181	2.8
256.07318	1.8
263.07104	9.4
269.08267	9.5
279.06619	1.2
281.08203	30.2
297.07727	9.2
299.09164	11.8
307.06107	1.0
315.08749	68.0
316.08954	1.1
325.07211	6.3
343.04092	1.7
343.08252	44.8
361.09335	100.0
361.14951	15.2
362.09641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
62.36197	0.2
75.00883	0.6
83.01372	2.4
83.02727	0.2
93.03442	5.6
96.95998	0.4
107.01379	0.3
107.05009	0.6
109.02936	3.8
117.09712	0.2
121.02905	0.9
125.02422	4.5
133.02951	1.3
134.03731	0.6
135.04500	100.0
136.04790	0.3
137.02428	7.4
138.03221	0.3
139.03973	0.3
149.02452	0.3
151.00372	1.9
151.03964	1.1
153.00722	0.4
153.01920	10.0
177.01839	0.3
178.99829	0.4
191.05620	0.3
197.04468	0.3
241.66502	0.3
271.08105	0.4
297.06424	0.4
297.09778	10.6
315.07144	0.5
359.05951	0.5
359.09827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01372	1.9
61.98834	1.2
71.01393	0.5
72.99253	0.3
78.02722	0.2
78.95908	1.8
81.03461	0.3
83.01399	1.5
85.02952	0.5
87.00887	0.4
89.02441	1.2
91.10383	0.3
93.03444	0.3
96.95992	1.9
99.04515	0.4
106.39996	0.3
109.02939	4.1
123.00864	1.1
125.02433	2.8
134.03740	1.1
135.04506	100.0
137.02412	3.7
138.03210	1.2
151.00369	1.3
153.01917	9.1
166.99892	0.3
177.02095	0.3
179.05597	0.4
182.02284	0.6
191.01895	0.3
191.05618	1.4
197.04628	1.9
198.99315	0.5
253.22992	0.3
297.09723	0.4
315.07059	0.4
359.06149	1.2
359.09848	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	359.1499
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.96480	0.7
51.44620	0.9
54.53125	0.8
54.82315	1.0
59.21386	0.9
69.06892	0.9
72.67706	0.9
73.73872	0.9
74.46629	0.9
76.57204	1.1
92.10143	2.3
102.65796	1.0
117.17670	1.1
125.20632	1.1
146.41882	1.2
151.04073	3.7
191.05577	1.5
199.03941	1.5
213.05743	1.6
225.05469	1.2
226.06291	1.2
227.03300	1.7
227.07077	2.1
230.09479	4.9
239.07094	2.6
240.07854	1.3
241.04916	1.2
241.08714	2.3
242.09460	6.7
255.03062	1.4
257.08105	5.3
257.11871	1.5
258.08969	11.3
261.07623	6.8
267.06705	1.4
268.07474	5.1
269.04462	2.3
269.08234	7.9
270.05771	1.9
270.08972	17.5
273.11328	2.1
284.06943	7.7
285.08081	2.2
285.11307	16.9
286.08447	14.1
296.06845	1.9
297.07632	1.4
298.08469	1.2
299.09192	34.0
301.10788	9.5
311.09271	6.1
313.10831	2.0
314.07977	41.7
329.10327	86.5
329.13788	3.3
344.12650	69.9
345.13248	1.4
359.15012	100.0
360.15405	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	359.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.65179	0.3
64.52425	0.4
77.52829	0.4
78.29700	0.4
80.58540	0.5
92.10703	0.6
102.69090	0.5
132.98123	1.0
153.14864	0.4
156.99817	0.5
157.03532	3.1
159.01479	0.8
160.62929	0.5
174.99214	23.8
201.02553	19.6
217.00279	73.3
218.00746	0.5
308.10757	0.6
349.12509	0.5
359.01505	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78807	0.4
53.95738	0.4
54.17130	0.5
54.63301	0.5
57.03445	4.6
57.53368	0.4
59.01375	2.4
59.20686	0.5
60.91972	0.4
62.99626	0.4
65.00327	2.7
67.01897	2.6
68.99806	5.6
71.01351	0.7
78.95905	0.5
81.03447	3.6
83.01381	24.4
85.02967	1.2
93.03464	2.3
96.95997	0.6
97.02963	0.6
107.01369	4.7
108.16803	0.5
109.02927	12.8
111.00874	2.2
121.02935	0.8
123.00886	0.9
123.04496	0.6
125.02420	46.1
130.96957	0.5
133.02946	1.0
135.00909	0.8
135.04501	34.2
137.02383	1.8
138.03238	0.9
139.03995	0.5
149.02415	2.9
151.00357	23.3
151.03961	2.0
153.01918	100.0
167.03362	0.5
169.01346	0.6
174.85439	0.5
177.01862	2.7
178.99863	2.9
179.91135	0.5
195.03040	0.9
197.00795	0.6
197.04486	1.3
287.01993	0.7
297.09775	2.5
315.07239	8.4
359.06198	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	357.119
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.43316	0.3
58.55431	0.3
59.01375	28.2
71.01375	0.6
74.11607	0.3
85.02971	0.4
108.02164	1.7
119.04987	3.0
121.02907	2.7
123.04510	4.1
124.01629	1.5
134.03790	0.5
135.04507	12.4
136.05287	17.8
150.03241	0.4
151.03999	2.9
151.07657	4.1
195.06616	100.0
196.06985	0.7
253.79097	0.4
274.28735	0.3
357.12146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80401	0.5
55.01875	0.8
55.11940	0.5
57.03448	0.5
59.01376	100.0
62.99682	0.5
71.01367	10.5
72.17822	0.6
73.02941	2.7
83.01375	0.9
85.02946	6.1
88.79285	0.6
89.02415	1.5
101.02430	4.5
113.02431	5.1
120.99519	0.6
132.03990	0.6
161.04527	3.6
178.84991	0.7
309.20239	0.7
315.18146	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11494	0.3
55.01880	0.9
57.03453	0.6
57.22496	0.4
59.01377	100.0
71.01379	9.0
73.02946	2.1
83.01400	1.6
85.02943	6.2
89.02447	0.8
93.03449	0.4
95.01344	0.4
99.00874	1.5
101.02431	4.7
113.02431	3.3
121.21997	0.4
128.00253	0.4
151.96947	0.4
161.04524	2.5
225.34798	0.4
315.18201	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	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03439	0.6
59.01375	100.0
61.95718	0.4
71.01376	11.1
73.02934	3.7
75.00912	0.5
76.73743	0.4
83.01381	2.2
85.02937	6.2
87.00870	0.6
89.02431	2.2
95.01382	0.9
99.00889	0.8
101.02414	6.7
103.69952	0.5
107.87664	0.5
113.02444	4.8
115.10128	0.6
135.04512	0.9
161.02502	0.7
161.04541	3.5
199.45045	0.4
223.63812	0.5
276.06363	0.7
298.38232	0.5
315.18063	3.6
357.45074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
63.84849	0.3
68.16119	0.2
73.02937	0.3
78.95898	100.0
81.12914	0.3
85.02930	2.3
87.00867	2.7
87.96490	0.3
93.03440	1.2
96.95989	11.6
96.96941	12.5
111.00878	5.7
122.93027	0.3
125.02401	0.4
129.01945	0.4
135.04495	1.9
135.30658	0.3
153.01912	1.7
166.97495	17.9
168.39990	0.3
182.02220	0.3
184.98538	6.1
191.02017	5.0
191.03546	0.5
191.03847	0.4
191.05583	5.6
197.04533	0.4
261.03876	0.3
275.41028	0.3
341.52164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.4
59.01373	26.4
62.96423	3.0
69.03463	3.9
69.88092	1.9
71.01373	29.0
72.00917	2.3
72.22221	1.7
72.99313	8.8
73.02966	3.2
75.00866	38.1
77.84208	1.7
78.95897	21.6
85.02946	35.0
85.03329	2.1
87.00872	61.9
89.02448	15.1
96.85124	1.7
96.96952	27.8
99.00885	8.7
101.02444	11.4
105.01927	20.5
113.02437	36.5
129.01924	9.9
131.03416	1.8
147.03008	2.6
158.04541	22.6
163.14998	2.0
164.87425	1.8
165.04019	100.0
168.87508	1.9
175.02483	7.6
175.06061	14.1
176.05643	9.3
177.16605	2.0
177.92801	1.9
181.07185	4.1
191.05661	8.8
259.02307	4.6
339.09470	2.3
357.10382	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59528	1.5
55.01867	2.4
57.03446	6.8
59.01374	38.6
61.66427	1.6
62.59422	1.4
62.96406	2.9
70.13924	1.5
71.01366	28.5
72.00907	2.5
72.99297	9.6
73.02937	8.2
75.00856	39.5
78.95872	23.1
85.02942	31.5
87.00855	57.4
89.02431	11.6
96.96951	26.9
99.00852	7.7
101.02435	9.9
105.01897	23.5
111.04465	2.1
113.02437	37.6
114.05588	2.5
119.03471	2.4
129.01891	8.4
131.03476	2.8
138.98056	1.7
147.02950	2.3
158.04530	20.6
165.04018	100.0
175.02437	13.4
175.06094	7.8
176.05602	6.9
181.07123	7.0
191.05556	3.7
259.02191	3.9
280.27240	2.1
357.10361	91.4
358.10663	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53952	0.4
54.50224	0.4
55.29753	0.4
59.01376	28.7
60.57684	0.5
61.98833	1.1
63.83771	0.5
71.01367	0.6
93.03439	4.5
95.05015	0.9
96.95988	0.7
108.02199	1.1
109.02940	2.8
125.02473	0.9
135.04503	100.0
150.06854	3.5
153.01891	1.3
167.03554	0.6
178.90437	0.7
179.61876	0.6
191.05597	1.0
195.06645	0.9
277.35071	0.6
302.82104	0.6
357.12155	1.0
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	Unknow
Peak:m/z	Relative Intensity
53.90477	0.3
59.01376	23.9
63.31390	0.4
71.01405	0.4
76.57080	0.5
84.34382	0.4
85.02914	0.6
86.03286	0.4
93.03428	5.2
104.67081	0.4
108.02168	2.2
109.02941	2.5
135.04503	100.0
150.06773	0.5
153.01926	2.3
177.01898	0.6
191.05626	0.9
192.05986	0.5
193.06015	2.5
194.06367	1.9
195.06514	2.3
201.22397	0.5
251.56059	0.4
357.45410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1185
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
52.76778	0.6
54.27778	0.6
57.32781	0.7
59.01379	12.2
59.18444	0.6
59.22984	0.7
61.98835	0.8
62.27897	0.6
71.01387	1.3
71.38267	0.7
73.31840	0.7
75.00862	7.4
83.64631	0.7
85.02979	1.4
87.00847	1.2
89.02469	1.0
93.03430	7.5
95.04990	0.8
100.31537	0.7
101.02434	1.1
107.05059	1.0
109.02969	3.5
123.04503	100.0
127.03992	0.7
135.04507	35.4
135.05530	1.3
137.02391	9.0
140.93546	0.7
150.53659	0.8
151.03999	5.2
153.05568	84.5
162.03206	19.7
163.04065	1.8
177.05545	4.3
179.03397	5.4
180.04272	53.5
191.05603	7.4
192.05952	2.9
193.06042	1.7
194.06360	1.0
195.06613	54.2
237.06113	5.1
269.08185	1.0
284.59229	0.8
357.08212	5.3
357.12070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3217
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
54.81612	1.1
59.67842	0.8
61.52852	1.0
64.33322	1.1
67.41608	0.9
68.18890	1.0
99.97845	1.1
115.99262	1.0
136.03117	1.1
165.41605	1.1
170.05205	1.0
212.94696	1.1
309.31665	6.0
355.32184	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	356.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
72.98243	0.5
97.91876	0.6
251.30652	0.7
274.58881	0.6
289.30539	0.7
292.57773	0.7
336.29663	0.6
356.92490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08284	0.4
59.01385	20.7
60.99314	0.6
67.01895	4.2
69.03474	0.6
69.45589	0.4
71.01379	18.9
73.02934	3.9
85.02950	5.9
87.00863	14.2
87.04511	3.8
89.02422	10.7
93.03439	17.9
95.01345	0.5
101.02419	4.0
103.13340	0.4
109.02946	0.8
111.04480	3.7
112.98801	0.8
113.02458	4.7
119.03482	2.4
119.04990	0.8
120.04269	0.5
121.02945	14.2
131.03412	1.0
133.05049	100.0
147.49420	0.5
149.04497	0.6
154.74330	0.5
155.03439	0.7
161.04517	0.9
171.02802	0.5
173.04527	14.4
175.06133	0.9
179.05492	0.7
181.05035	3.1
181.07130	0.7
191.05609	29.1
205.07132	0.9
219.03276	0.5
233.06789	0.6
291.35410	0.5
295.13965	1.9
337.09286	1.6
355.10281	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	355.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49302	0.7
51.64636	0.8
55.01900	1.4
57.03453	3.3
59.01376	100.0
60.14273	0.7
66.39008	0.9
67.01895	5.7
69.03439	1.1
71.00983	1.5
71.01372	33.4
71.01744	1.2
72.99293	1.3
73.02940	8.1
75.00867	1.5
83.01394	5.1
83.05032	1.0
85.02933	15.1
85.03349	1.0
87.00854	10.0
89.02421	18.4
89.02888	1.1
93.03439	24.0
95.01369	2.1
96.95998	7.1
99.00900	4.1
101.02420	21.0
103.03985	1.9
109.02952	3.4
111.00849	3.1
111.04534	5.5
113.02423	12.5
115.00377	5.1
119.03473	6.4
119.04990	1.7
121.02941	39.2
127.03981	1.3
129.01997	1.3
133.08704	5.2
135.04475	4.0
139.00369	3.4
149.06064	7.8
155.03477	1.3
157.01471	3.7
159.02985	1.0
161.04544	13.0
161.05836	1.3
166.62709	0.8
173.04523	23.3
175.02484	3.5
175.03923	1.7
179.05727	1.8
181.05052	11.7
191.05598	36.9
192.06035	1.3
193.06128	1.7
206.02657	1.1
233.06543	1.1
237.04007	1.5
295.13983	58.2
304.35501	0.9
314.56796	1.0
337.09280	2.0
355.10318	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59583	1.2
53.00850	1.2
59.01383	15.8
61.65040	1.3
71.01369	8.6
74.15221	1.4
85.02943	10.0
86.03299	1.7
87.00863	6.3
89.02431	6.6
91.98016	1.6
92.63491	1.6
93.03444	6.5
125.60032	1.4
125.73881	1.5
132.02150	23.1
134.03708	14.5
136.01630	1.8
143.03494	3.3
149.06003	1.8
151.04007	13.4
160.01640	100.0
163.04155	1.7
173.04514	3.2
174.03232	1.5
175.03981	91.7
175.05524	3.0
184.02670	6.2
191.05597	41.9
191.07185	3.2
192.05978	19.8
193.06325	24.2
217.04997	2.2
249.05450	1.7
274.05750	3.4
274.56155	1.9
295.73889	1.7
355.10150	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85460	0.6
59.01375	6.1
60.99302	1.7
63.95598	0.6
67.01876	7.7
69.03442	1.5
71.01376	1.3
76.62231	0.6
81.03454	1.3
83.05038	1.2
85.02931	9.2
87.00868	11.3
91.50348	0.6
92.10864	0.9
93.03445	52.9
99.00861	0.8
100.46689	0.7
111.04514	10.4
119.05025	3.2
121.02938	42.3
127.03979	1.5
129.01941	1.5
155.03458	1.3
156.17204	0.9
164.58369	0.7
173.04515	39.5
181.05009	7.1
191.05600	100.0
233.06636	3.0
337.09183	3.5
355.05975	1.6
355.10312	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97783	0.5
53.95238	0.6
57.03435	1.7
59.01378	14.1
60.99306	1.8
67.01875	10.2
69.03443	3.5
71.01371	12.3
73.02929	3.8
81.03440	3.4
83.01384	1.2
83.05011	1.1
85.02927	12.9
87.00860	14.7
89.02444	4.7
93.03437	63.3
96.58367	0.7
99.00861	5.9
99.04515	1.2
101.02412	3.8
109.02946	1.3
111.00891	1.0
111.04519	9.8
112.98796	16.6
113.02470	0.9
115.00295	1.0
119.03497	0.9
119.05009	3.6
121.02936	50.6
127.03969	1.6
129.01927	3.2
137.02440	1.1
142.99883	1.3
145.01501	0.7
145.02943	0.9
149.04538	1.0
155.03465	4.6
163.06096	1.2
163.53767	0.8
173.00940	1.5
173.04529	49.8
176.64500	0.8
181.05057	11.0
181.07147	19.8
191.05598	100.0
233.06752	1.3
337.09329	4.6
355.06000	1.5
355.10315	35.6
356.10730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.21833	0.2
54.81298	0.2
55.88916	0.2
59.01376	1.7
63.66090	0.2
67.01895	0.3
69.03435	0.3
71.01379	1.0
73.02936	0.2
81.03458	0.3
83.05030	0.3
85.02939	10.6
87.00871	2.7
93.03438	4.2
99.04509	0.5
109.02960	0.9
111.04507	1.4
127.03984	3.2
133.02942	0.9
135.04541	1.5
137.02309	0.3
138.91550	0.2
155.03526	0.3
161.02449	1.4
171.02962	1.1
173.04512	1.7
179.03500	0.4
191.05598	100.0
192.05969	0.3
353.08801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.81794	0.3
59.01380	1.7
71.01372	0.5
80.70384	0.2
84.90881	0.2
85.02942	9.3
85.03421	0.5
87.00867	1.9
93.03439	4.3
99.00844	0.3
99.04505	0.3
109.02951	0.5
111.04514	1.3
111.53728	0.3
127.03963	3.4
133.02936	1.0
135.04506	0.5
161.02446	2.8
169.58206	0.3
171.02985	1.0
173.04538	1.2
173.73611	0.3
184.23506	0.3
191.05598	100.0
194.10193	0.3
254.42786	0.3
278.09528	0.3
353.08871	1.1
366.72089	0.3
374.48688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87620	0.2
57.03468	0.2
59.01371	1.8
59.99891	0.2
64.30511	0.2
67.01911	0.9
71.01382	1.3
73.02928	0.5
75.11080	0.2
81.36029	0.2
83.05025	0.7
84.63570	0.2
85.02950	11.1
85.05733	0.2
86.30869	0.2
87.00878	2.2
91.43613	0.2
93.03443	4.6
99.04523	0.5
109.02955	1.2
111.04495	1.9
127.03988	3.0
133.02917	0.9
135.04504	1.5
137.02448	0.3
151.46541	0.3
155.03525	0.2
158.33833	0.2
161.02423	1.6
171.03003	0.4
173.04498	1.6
179.03442	0.3
191.05602	100.0
192.05951	0.4
353.08905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05151	0.3
50.72967	0.3
53.26445	0.4
56.98879	0.4
59.01376	13.5
71.01364	6.7
74.06995	0.4
74.87426	0.4
81.78876	0.5
85.02924	1.4
89.02438	4.1
94.96433	0.4
101.02433	1.1
104.02647	0.5
113.02425	1.0
119.03460	0.5
130.69473	0.4
132.02159	20.3
134.03722	10.1
147.04492	0.7
149.06099	1.7
160.01651	100.0
161.01981	1.7
174.03192	0.5
175.03987	97.3
176.04710	2.0
191.05600	0.9
191.07181	1.6
192.05847	0.7
193.04996	11.6
202.02646	0.8
217.05092	4.3
220.41942	0.4
235.06100	2.2
284.50073	0.6
295.08160	0.7
355.10275	6.2
362.86880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01874	1.7
56.43180	0.2
57.03450	1.1
58.00592	1.7
59.01375	54.5
61.12405	0.2
61.50477	0.2
67.22260	0.3
70.62074	0.3
70.74010	0.2
71.01369	23.1
72.99297	2.4
73.02937	1.6
83.01364	2.4
84.02177	0.3
85.02943	6.1
85.03413	0.4
85.82034	0.2
87.00858	1.8
89.02429	21.1
95.01378	2.3
95.01917	0.3
99.00846	0.6
101.02426	14.4
109.02990	0.3
113.01727	0.5
113.02439	8.3
113.09716	0.4
119.03481	6.8
124.40141	0.3
139.11272	0.6
141.12845	48.2
143.03546	0.3
155.14468	0.3
169.12343	5.7
171.13911	2.2
179.05582	0.4
183.13911	2.9
185.11787	0.5
187.13377	69.8
188.13780	0.3
229.14377	1.0
266.88412	0.3
309.08377	0.3
349.18671	100.0
350.18942	1.6
372.49329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32310	0.2
52.68468	0.2
54.29596	0.2
59.67767	0.2
59.98564	0.2
61.98822	100.0
65.00298	0.2
70.68999	0.2
79.42262	0.2
85.77295	0.2
86.44052	0.2
107.01380	0.5
119.51183	0.2
123.63976	0.2
135.04491	2.3
141.36969	0.2
148.22905	0.2
151.00371	2.0
191.05667	0.3
209.93764	0.2
267.40305	0.2
287.05060	1.3
291.50879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50387	0.1
59.01382	0.8
61.98845	0.1
71.01376	0.1
78.95898	0.9
89.02415	0.1
93.84505	0.1
96.30435	0.1
96.95998	2.6
96.96953	1.1
142.08777	0.1
144.04541	100.0
145.04881	0.9
188.09297	0.3
191.05608	0.2
237.06033	0.2
306.09747	0.7
350.14645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03447	6.0
58.00610	0.7
59.01375	100.0
68.99585	3.1
69.03450	0.6
71.01368	45.3
72.99298	0.9
73.02928	5.6
75.00862	1.3
75.35514	0.7
81.03468	1.2
81.29350	0.6
83.01405	3.3
83.05019	1.0
85.02940	13.8
86.00114	0.7
87.00858	7.5
89.02429	44.9
93.03452	1.4
95.01361	2.4
97.02927	0.9
99.00871	3.1
101.02424	31.8
111.04523	3.9
111.16867	0.8
112.98632	1.4
113.02435	20.7
115.04040	1.2
119.03458	15.0
119.04231	0.9
131.03511	3.1
141.01924	0.7
143.03494	1.3
145.01418	13.4
151.16583	0.7
155.90135	0.7
159.03001	11.6
161.04535	14.9
178.15378	0.6
179.05606	15.6
183.06528	1.5
189.69028	0.7
191.05591	3.2
237.06192	0.7
273.09750	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	347.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43449	0.6
53.00318	1.2
54.34772	0.5
55.01888	4.4
55.36457	0.7
55.80618	0.6
57.03445	7.1
59.01379	9.3
67.01884	1.2
68.99812	1.4
71.01380	42.8
72.99317	4.2
73.02959	3.1
76.56066	0.9
78.95893	8.3
80.99834	1.1
83.01386	6.9
85.02985	3.7
85.38557	0.6
85.71829	0.6
86.10400	0.7
87.00843	5.6
96.96977	1.5
96.99307	3.3
97.02963	0.8
99.00871	34.8
111.00879	8.6
112.98805	100.0
115.00378	7.8
124.98787	11.3
125.02389	1.2
127.00383	1.1
129.01910	7.6
138.15811	0.7
140.98282	1.0
142.99855	80.8
144.00180	0.9
145.01422	3.4
155.03511	1.0
173.00894	48.2
173.02394	1.7
175.02377	0.8
263.35162	0.7
267.80859	0.8
289.86127	0.7
308.56375	0.7
314.04196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
58.00613	0.9
59.01381	84.0
71.01375	34.0
71.01744	1.4
72.99300	1.5
73.02951	10.3
83.01389	1.8
85.02945	9.7
87.00869	1.2
89.02434	30.7
93.03434	1.3
95.01401	3.6
96.92814	0.8
101.02431	20.3
113.02444	11.4
119.03479	11.8
123.30346	0.8
125.12263	0.9
141.04005	0.9
167.10757	20.3
169.12259	8.1
173.04582	1.8
185.11833	9.5
191.05611	3.6
204.90482	0.8
347.17090	100.0
348.17255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.53755	0.7
59.56104	0.6
87.39137	0.8
161.30809	0.7
191.05592	1.6
213.14883	3.5
285.03891	1.0
290.60260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52090	0.2
52.78186	0.2
61.98824	15.2
63.02394	0.5
65.00328	1.6
83.01381	1.1
105.03451	0.5
107.01379	3.3
121.02961	0.9
121.21380	0.2
133.02937	21.4
149.02415	3.4
150.99199	0.4
151.00360	8.1
161.84113	0.3
171.04485	0.4
175.04007	4.8
185.06004	0.3
198.03232	0.3
199.04041	3.3
201.01941	1.2
212.04747	0.3
213.05548	0.4
215.03568	0.3
217.05002	2.3
223.03943	0.4
241.05031	1.6
243.02968	1.0
251.74391	0.3
257.04584	0.5
267.02988	0.3
285.04044	100.0
286.04333	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76949	0.4
59.01381	29.3
59.21770	0.4
63.77577	0.4
67.01924	0.6
69.03457	0.4
71.01387	0.9
76.56424	0.6
83.05094	0.5
85.02960	2.7
87.00858	1.0
88.89526	0.5
92.10568	0.6
93.03452	14.7
101.02451	0.5
109.02966	1.2
113.36915	0.5
119.04982	0.6
121.02946	42.7
123.04510	100.0
135.04480	2.1
137.02464	0.5
163.03975	0.9
165.35556	0.5
173.04582	3.6
179.03488	0.9
191.05600	15.2
205.05013	3.4
217.05112	0.6
227.07050	1.8
235.80905	0.5
255.10242	0.8
285.09787	2.5
290.00037	0.5
309.06049	1.9
324.94241	0.5
345.09067	3.2
345.59442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
50.94022	1.2
51.17623	1.1
55.01888	1.8
57.03458	1.7
58.00590	1.8
59.01376	99.6
71.01374	41.4
72.48701	1.5
72.99345	1.9
78.73270	1.5
85.02930	11.4
87.00900	2.1
89.02431	33.9
93.03461	2.9
95.01357	3.2
101.02414	19.1
113.02432	12.5
119.03452	11.5
121.10214	49.2
126.61832	1.5
133.64131	1.4
137.09721	15.4
165.09201	64.3
183.10226	40.1
191.05585	3.1
255.98459	1.5
333.65707	1.6
345.15558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
64.33320	5.1
93.03445	5.8
121.10227	8.1
140.55582	6.0
191.05693	18.3
211.13419	59.5
291.19635	100.0
309.20737	8.4
365.93027	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	345.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28024	2.4
66.36160	3.0
70.16376	2.5
80.20095	2.6
92.10865	3.8
98.02097	2.6
119.08682	6.1
137.09662	4.0
139.24869	3.0
171.10239	28.6
185.11818	6.3
191.05553	12.3
224.73933	2.9
291.19736	11.6
309.20728	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78259	0.2
51.94931	0.2
59.01374	20.1
60.01707	1.9
60.01962	0.2
61.01813	0.3
61.98823	100.0
66.10884	0.2
71.21641	0.2
71.38406	0.2
74.36954	0.3
88.29254	0.2
92.10210	0.4
118.24375	0.2
134.23170	0.2
158.03780	0.3
159.01260	0.3
159.03238	0.2
160.01697	0.4
160.03696	0.3
174.99146	0.3
201.02512	1.8
202.02702	6.3
202.98657	1.0
203.02293	4.6
203.99995	31.4
204.02637	2.5
206.77217	0.2
236.43301	0.2
238.50545	0.2
346.00845	0.5
352.35217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1244
Annotation	lactitol
Peak:m/z	Relative Intensity
55.01878	1.5
57.03445	2.4
59.01373	100.0
61.01806	1.1
63.96233	1.0
71.00979	1.8
71.01370	50.9
72.01718	1.0
72.99303	4.4
73.02946	9.4
78.98607	1.2
83.01379	2.3
85.02941	18.4
87.00859	2.0
89.02426	67.0
95.01385	2.3
99.00847	2.0
101.02428	40.0
109.02956	4.9
113.02438	19.1
115.04004	0.9
119.03468	24.5
131.03468	2.6
133.01428	2.4
139.19383	1.0
143.03532	5.4
154.04735	1.2
161.04520	7.7
163.04924	1.1
163.06042	7.6
179.05652	13.8
181.07184	22.5
191.05609	13.0
280.04190	1.1
283.10349	6.1
343.12427	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	343.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.50762	0.3
59.01378	100.0
71.01375	3.3
73.02944	0.5
75.99568	0.4
81.72067	0.4
85.02953	1.8
93.03443	0.7
101.02447	2.5
109.00808	0.4
113.02442	1.5
113.67638	0.4
161.04512	1.8
166.49919	0.4
191.05611	1.0
224.73091	0.4
283.11847	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01382	2.0
63.17123	1.5
65.08922	1.6
70.66480	1.4
78.67161	2.1
83.12627	1.6
83.45142	1.6
90.09333	1.7
99.08134	3.6
105.52194	1.9
121.10186	7.5
171.10240	40.0
193.12297	13.7
225.14813	12.6
226.02798	2.8
243.15962	8.5
257.33673	1.9
289.17984	9.4
313.03546	4.1
343.24881	100.0
367.90146	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.70021	1.0
59.01380	6.4
99.08112	12.0
110.37023	1.3
121.10207	2.8
125.09693	2.2
126.49051	1.5
171.10249	19.4
190.05151	1.4
193.12323	23.8
211.13503	3.0
225.15004	26.5
243.15984	7.6
293.21204	1.6
343.24875	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	343.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10085	0.8
54.15880	0.9
59.01368	2.3
60.48338	0.8
62.46737	0.9
66.79369	0.9
67.62405	0.9
94.95161	1.1
108.02148	1.2
117.03448	2.0
121.02954	1.1
134.28387	1.0
139.07217	1.1
140.02998	1.1
143.05011	1.0
145.02943	1.4
157.06563	12.2
158.03566	1.1
166.73634	1.2
170.03748	12.7
171.12175	1.0
172.74002	1.0
173.04643	1.6
173.06068	32.0
184.05208	1.7
185.06090	9.6
186.03195	9.8
198.03224	27.1
203.07219	8.3
203.97444	1.2
210.03517	1.2
213.05586	6.5
214.02736	9.7
226.02708	26.7
229.05072	4.9
231.06583	1.6
241.05069	32.9
242.02225	2.0
254.02194	4.6
269.04578	10.8
270.01639	5.9
285.03967	1.2
298.01151	15.6
313.03564	63.2
313.07224	2.3
328.05890	100.0
343.08304	22.7
368.39996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.03438	1.9
59.01377	14.6
63.54165	0.4
71.01380	2.8
72.00898	0.5
72.99298	0.5
74.62628	0.3
76.35568	0.4
78.95896	3.8
85.02940	1.4
87.00874	1.4
89.02424	2.2
90.74821	0.4
92.63258	0.4
93.03442	2.3
96.95988	8.5
96.96940	0.7
99.00893	0.5
99.04520	2.0
101.02422	2.6
113.02448	0.7
119.05006	100.0
121.02933	50.7
135.04555	0.8
137.02434	0.8
139.04001	0.6
152.91721	8.2
153.01918	0.7
159.05724	0.4
161.04517	3.7
163.03940	4.6
166.97426	0.6
178.93282	0.5
181.05049	14.5
191.05612	1.6
194.92714	0.4
221.09663	0.7
224.84911	0.4
234.28275	0.4
325.05469	0.4
343.06528	0.5
343.10287	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	343.1035
Annotation	Hygrophiloside
Peak:m/z	Relative Intensity
55.75579	0.5
59.01373	41.8
59.01673	1.5
71.01371	16.2
72.99295	0.9
83.01392	0.8
85.02966	3.8
89.02434	15.1
89.10453	0.9
93.03456	1.2
95.01365	0.7
96.96023	0.9
101.02431	5.9
112.31205	0.8
113.02451	5.1
119.03500	6.4
119.05006	100.0
133.02896	1.0
135.04494	4.4
137.26425	0.6
145.05009	0.9
151.03967	2.6
161.02383	0.8
163.03998	70.5
179.03502	1.1
181.05037	4.6
243.37711	0.7
257.22757	0.7
272.93576	0.7
343.10419	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68619	1.3
59.01373	2.2
66.07935	1.4
69.03447	2.1
84.02156	32.2
89.02409	1.8
92.10097	3.6
92.63593	1.7
97.02936	15.0
99.04522	7.9
119.08647	1.9
125.09734	2.1
145.42841	2.0
148.02754	1.7
171.10243	84.7
197.02386	1.7
209.84669	2.0
254.71550	1.7
341.23325	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	341.3057
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
50.00590	1.2
55.38676	1.5
64.33323	1.3
71.05013	29.5
74.34782	1.5
83.05006	2.5
92.66311	1.3
104.76745	1.4
114.36816	1.8
116.92762	2.1
118.89287	1.7
134.10529	1.5
176.28494	1.8
267.27048	6.2
281.25296	2.9
281.28500	40.5
309.63901	2.0
323.29599	15.8
341.26428	3.2
341.30618	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	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55016	0.1
57.40182	0.1
57.54440	0.1
59.01375	100.0
60.61837	0.2
66.82986	0.2
78.46488	0.2
96.26583	0.2
115.02518	0.5
116.52168	0.2
116.92857	0.3
117.17576	0.2
136.94029	0.3
143.73390	0.2
157.03546	6.2
159.01482	5.5
163.14560	0.2
178.95065	0.8
178.97841	0.3
201.02554	74.4
202.02718	1.1
343.03693	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	341.1238
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
52.52452	0.4
57.03445	49.3
59.01379	4.8
62.54639	0.3
69.90096	0.3
70.24022	0.4
71.01382	2.1
76.56223	0.5
83.05923	0.4
87.92815	0.4
89.02441	2.0
93.03457	1.8
95.87825	0.4
101.02441	0.6
103.41420	0.5
109.02953	3.3
113.49487	0.4
121.02936	40.7
135.04521	0.8
137.39838	0.4
154.57503	0.4
179.07130	100.0
180.07487	0.7
191.05728	0.4
213.19167	0.5
217.41014	0.4
306.26196	0.5
341.12393	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31328	0.5
55.84323	0.7
59.01389	1.6
73.27032	0.7
73.85817	0.7
79.29931	0.8
84.02155	19.6
92.10142	2.4
97.02944	8.0
97.06583	8.0
97.49303	0.8
99.04527	1.7
111.89974	0.8
124.82748	0.8
125.09750	2.9
127.11266	1.8
135.08157	1.4
153.09216	1.0
171.10248	44.5
183.13876	1.0
193.12317	11.3
211.13350	3.8
221.11943	0.9
225.14943	15.9
243.15987	5.7
291.19632	1.4
341.23312	100.0
342.23770	1.3
353.59180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.93518	0.2
53.04036	0.2
56.90250	0.3
59.01373	8.3
71.01368	3.3
71.42052	0.3
73.32895	0.3
80.21925	0.3
85.02946	0.6
89.02429	2.6
92.10187	0.5
101.02428	1.5
105.03384	0.4
113.02434	1.5
119.03519	0.6
132.02179	1.6
133.02937	36.8
134.03696	0.7
135.04498	13.6
144.73303	0.3
149.06042	0.6
161.02425	100.0
162.02794	0.6
177.05548	1.3
179.03487	10.6
203.03461	1.5
221.04666	1.3
251.05775	0.4
281.06644	1.4
341.08774	10.1
341.12866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
50.18889	0.2
51.91560	0.2
56.00310	0.2
56.98309	0.2
67.33100	0.2
68.08981	0.2
76.40384	0.2
81.08555	0.2
102.85885	0.3
107.05007	0.5
134.03735	2.9
135.04504	100.0
136.04828	0.5
177.01874	0.3
178.02621	0.4
179.03481	70.3
180.03848	0.5
341.08789	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	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
57.03459	1.6
58.00603	2.2
58.33608	0.7
59.01381	100.0
59.02629	0.8
59.76582	0.7
69.03465	1.1
69.69474	0.8
71.01379	55.0
72.99309	3.7
73.02972	4.2
74.82966	0.9
79.56660	0.9
83.01385	1.7
85.02952	10.4
87.00872	10.3
89.02441	67.2
92.10905	0.9
95.01410	1.6
97.02937	1.1
101.02428	23.3
113.02449	28.7
117.01900	1.2
119.03484	16.2
120.43936	1.0
131.03494	6.9
135.02991	0.9
143.03468	2.2
147.02985	1.2
149.03384	1.7
149.04535	23.5
159.02972	4.3
161.04559	8.3
179.05589	20.2
212.75485	1.0
341.10907	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
54.81725	0.2
59.01371	1.8
65.00314	0.6
65.03959	1.7
67.01885	0.5
68.99815	0.4
80.02659	0.8
83.78106	0.3
85.17648	0.2
87.61930	0.3
91.01881	62.7
107.01434	0.4
108.02145	1.3
109.02941	14.5
119.89581	0.3
121.02914	1.6
123.04504	0.7
133.02914	1.7
135.00867	100.0
136.01570	0.6
137.02411	3.4
149.02414	1.2
151.03958	0.3
153.01920	40.7
160.01964	0.3
161.02428	1.4
170.46568	0.3
177.01944	0.7
189.01886	1.6
213.31609	0.4
279.05072	0.4
290.18204	0.3
321.40060	0.3
339.07196	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	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27014	0.3
53.84359	0.3
55.33160	0.3
57.03443	0.4
59.01374	18.5
60.01683	0.3
63.65258	0.3
71.01366	3.4
73.02933	8.2
78.95888	21.7
83.05058	0.4
84.23819	0.4
85.02936	10.4
86.04011	0.4
87.00862	2.9
87.04509	2.2
89.02443	1.4
92.10224	0.5
93.03435	9.2
95.01389	0.6
96.96932	9.6
99.04519	0.5
101.02448	1.7
109.02908	0.8
111.04509	1.8
113.02448	1.5
115.00380	0.4
115.03936	0.5
117.04733	0.7
117.05563	18.6
119.03481	0.6
121.02931	4.3
127.03999	2.6
139.03998	26.1
146.82791	0.5
147.61363	0.4
152.91730	1.4
158.92523	2.8
159.06642	0.6
165.01897	4.3
171.02896	0.4
173.04555	3.5
173.05881	0.4
183.49361	0.4
191.05602	100.0
192.06004	0.5
214.37160	0.3
241.01187	8.1
245.20816	0.4
301.09180	1.8
321.68906	0.4
338.98853	4.8
339.07156	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	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55635	0.3
55.92096	0.4
59.01376	100.0
67.82092	0.4
71.01379	2.2
73.02918	0.5
85.02952	1.7
92.10203	0.9
93.03438	0.6
101.02438	2.7
113.02428	0.7
134.20091	0.4
161.04501	0.7
175.75882	0.4
177.05562	0.9
191.05621	1.0
205.78636	0.4
279.14426	4.9
326.55521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2538
Annotation	Blepharizol A
Peak:m/z	Relative Intensity
59.01374	100.0
62.22919	1.6
62.38543	1.5
63.79522	1.3
75.86835	1.6
92.10718	2.6
97.70224	1.5
161.19572	1.9
227.83485	1.9
279.23273	8.7
297.24356	54.1
339.20117	2.8
339.25342	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	341.0665
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
56.31071	0.5
58.09226	0.5
59.01382	0.5
73.67139	0.5
79.74270	0.6
85.90807	0.5
89.03969	0.9
91.01894	0.7
93.03473	0.8
95.05030	2.4
103.05524	1.0
105.03454	0.6
109.02946	30.4
117.03476	2.1
119.05023	2.6
121.02979	2.3
122.03751	1.0
123.04505	27.7
125.02433	1.1
133.02962	6.2
134.03607	0.6
135.04471	1.3
145.02911	2.4
147.04512	9.5
148.01785	0.7
149.02446	1.2
150.03241	1.3
151.04005	11.3
159.04466	1.3
161.02414	5.3
162.03203	1.3
163.03915	0.7
174.03128	0.7
176.01117	2.4
176.04066	0.9
177.01915	32.5
181.93369	0.5
187.03973	1.0
189.01921	100.0
190.02689	20.8
191.03513	17.3
191.05478	1.0
203.03529	9.0
216.00629	14.3
217.01418	38.2
218.02164	2.1
219.02989	14.1
219.52559	0.6
231.02995	12.1
233.04486	1.2
281.04535	0.7
323.05624	2.6
341.06659	85.9
342.06943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96351	0.3
51.80101	0.2
52.66511	0.3
54.12117	0.2
56.20715	0.2
57.03452	0.3
59.01376	58.7
66.66125	0.3
67.01896	1.6
69.03458	0.3
71.01376	3.7
71.05025	0.3
73.02968	1.0
74.21240	0.3
75.03125	0.3
76.56506	0.3
78.95921	0.4
81.03484	0.5
81.82589	0.3
83.01356	0.3
85.02943	2.6
87.00847	2.4
89.02438	1.8
93.03440	12.7
94.03798	0.5
96.95996	2.9
99.00853	0.5
101.02436	2.4
104.12495	0.3
111.04511	1.6
113.02446	1.7
113.06092	1.7
115.03976	2.2
119.05009	1.8
121.02936	6.7
125.02426	0.3
127.94205	0.3
137.02406	0.6
139.04001	100.0
140.04353	1.4
140.11276	0.3
157.05032	0.5
161.04539	1.3
163.04002	1.4
165.01947	0.4
173.04575	2.7
180.27013	0.3
191.05617	12.0
192.05998	0.3
277.12906	4.1
301.09302	14.8
301.12701	0.7
302.09503	0.5
327.08762	0.4
337.09204	2.3
337.15018	0.4
337.59396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2382
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
59.01362	1.4
63.71119	1.0
66.61905	1.0
77.40945	1.3
87.79919	1.1
92.10143	1.5
96.95988	14.0
103.20251	1.2
143.73218	1.1
191.05479	1.5
214.61041	1.2
219.13898	1.4
248.83403	1.2
255.23297	4.3
305.21265	7.1
337.20450	10.9
337.23871	100.0
338.24115	1.3
344.71991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.9885
Annotation	D-myo-Inositol-2,4-diphosphate
Peak:m/z	Relative Intensity
54.91332	0.4
55.74654	0.3
57.03431	0.4
59.01381	3.5
62.47476	0.3
69.03438	0.7
71.01364	3.5
71.87244	0.3
72.99302	0.5
75.89727	0.3
78.95889	100.0
85.02930	2.1
87.00871	0.7
89.02401	1.7
89.13979	0.3
92.10268	0.5
96.62270	0.3
96.95957	2.1
96.96947	45.8
97.02946	3.4
99.00892	0.6
101.02419	1.9
111.62837	0.3
112.98801	1.8
113.02446	1.7
115.00326	0.6
115.03986	0.3
129.01926	0.8
133.01352	1.2
136.93205	0.6
138.97980	1.6
141.62987	0.3
142.99809	0.4
147.02989	3.0
150.97977	0.5
152.91737	4.6
152.92769	0.4
158.92523	12.7
164.89516	0.7
168.99133	0.4
173.00830	0.5
176.93604	0.8
181.08943	0.5
223.00050	1.6
241.01187	31.9
250.92451	0.7
259.02252	2.6
259.30341	0.5
320.97772	2.9
321.08292	4.0
338.98868	21.8
356.49039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24834	1.1
57.03447	11.3
59.01367	11.6
59.64867	1.0
63.02067	1.2
71.01372	51.2
71.01748	2.3
72.99319	9.1
73.02965	2.7
74.74785	1.6
78.95896	10.5
83.01395	7.7
85.02944	31.6
87.00865	49.2
87.01402	2.0
96.96959	2.6
99.00861	18.2
99.04551	2.3
99.33356	1.6
103.04027	2.8
111.00871	15.1
112.98799	60.6
114.37232	1.6
115.00357	18.0
129.01913	30.6
133.01418	17.7
133.05049	11.4
142.99867	16.3
147.02986	100.0
147.06633	5.9
171.82843	1.4
173.00848	13.7
191.05605	9.1
241.01234	2.9
338.98862	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	337.0928
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03439	0.7
59.01376	2.4
60.99298	1.0
67.01880	6.1
68.99767	0.4
69.03452	2.1
71.01358	3.1
81.03453	1.1
83.05004	1.0
85.02938	9.0
87.00858	8.4
89.59991	0.5
93.03440	37.0
99.04509	0.5
100.10295	0.5
109.02933	0.9
111.04513	4.4
119.05016	16.9
127.03997	2.6
138.48799	0.5
145.02945	2.3
155.03517	0.8
163.03992	10.5
168.77229	0.5
171.02936	0.5
173.04532	14.7
188.71538	0.5
191.05606	100.0
213.98592	0.5
323.55319	0.5
327.13062	0.6
337.09363	4.9
344.97067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01369	1.0
71.01381	0.8
85.02940	9.7
87.00877	2.3
93.03433	4.2
108.35157	0.4
109.02916	0.5
111.04510	1.0
119.05002	1.7
127.03971	3.1
145.02945	0.9
154.65118	0.4
161.95293	0.4
163.03992	0.5
166.79015	0.4
171.03006	0.6
173.04489	0.7
176.24806	0.4
191.05603	100.0
192.05998	0.4
196.42662	0.4
337.09311	2.0
355.41470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62942	0.8
55.01872	1.2
57.03452	1.8
59.01376	37.7
61.83389	0.8
67.01888	1.8
69.03448	1.4
71.01369	18.3
71.01735	0.8
71.83677	0.8
72.99318	5.4
73.02961	5.4
75.00855	13.6
75.01195	0.7
79.87312	0.8
82.05444	0.8
83.01400	1.9
85.02938	22.2
85.03405	1.1
87.00861	8.0
87.04496	100.0
89.02457	5.5
93.03432	9.4
95.01382	1.9
99.00853	10.3
101.02453	5.7
103.00378	1.9
109.02964	1.0
113.02436	16.5
115.00366	1.6
117.01935	2.1
119.05021	1.6
129.01944	1.1
129.09326	1.2
137.02405	9.4
145.09377	0.9
161.04561	1.9
163.03949	1.1
173.04552	2.0
175.02495	1.1
175.09799	3.8
191.05603	12.3
209.31712	0.9
223.08240	9.7
229.37851	1.0
249.06134	9.5
268.93253	1.0
270.81839	0.9
277.09366	1.6
319.10446	1.9
337.11530	49.1
337.15121	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01374	100.0
71.01370	7.9
75.00854	0.8
82.40324	0.5
85.02947	1.9
87.04510	0.7
89.02426	10.0
91.53410	0.4
93.03448	2.7
95.01356	0.8
101.02409	3.9
113.02464	4.6
119.03464	2.8
119.04938	0.6
137.02415	12.7
138.02806	0.6
159.73837	0.4
161.04544	0.8
162.06390	0.5
179.03513	0.7
179.05542	2.5
191.05623	2.9
196.49245	0.4
277.12967	0.6
281.04675	0.5
299.07639	7.1
337.11365	1.1
348.97156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24089	0.3
59.01372	2.9
62.86869	0.3
67.01894	1.6
69.03432	0.3
69.14680	0.2
71.01380	0.6
81.28519	0.2
81.87411	0.3
85.02956	1.6
87.00849	2.4
93.03441	12.4
96.96005	2.0
101.02464	0.4
109.03007	0.3
111.04520	1.3
113.02453	0.5
113.06025	0.4
119.05006	2.4
121.02937	7.7
123.79483	0.3
127.03996	0.4
137.02464	0.4
139.03998	100.0
140.04309	0.4
163.03973	1.3
173.04562	3.0
174.04892	0.4
191.05609	12.3
216.50912	0.3
216.90979	0.4
220.96266	0.4
243.46078	0.4
255.90294	0.3
283.09708	0.4
301.09286	15.7
302.16394	0.3
327.08685	0.5
337.09140	3.4
337.59583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01881	4.3
57.03447	13.0
57.08806	0.8
59.01375	36.2
68.99577	6.5
69.03444	27.3
71.01373	35.0
72.99334	1.1
73.02945	4.7
76.03238	1.0
83.01386	5.8
85.02940	43.5
87.00858	100.0
89.02438	10.7
92.10770	2.1
93.03464	2.6
99.00892	1.2
101.02425	31.8
101.03043	2.0
111.00878	1.2
112.98605	6.9
113.02435	73.3
115.00351	41.9
115.01158	1.4
119.03467	2.6
127.00336	10.5
128.88994	1.1
129.86118	0.9
131.03476	57.2
142.99829	3.8
145.01421	28.5
161.04543	4.6
162.89259	1.5
171.82845	1.1
173.00896	2.0
174.01709	1.6
175.02449	68.6
179.05598	1.7
189.69171	1.1
191.05644	1.9
289.05905	1.5
337.07758	14.1
337.11282	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	337.0924
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.76353	0.4
56.11932	0.4
59.01376	3.3
65.99814	0.4
66.87459	0.4
71.01376	1.0
72.04050	0.5
74.24911	0.5
75.20001	0.4
75.79633	0.4
80.86356	0.4
81.03475	0.6
83.05019	1.1
85.02966	3.0
87.00893	2.3
92.10766	0.9
93.03433	8.1
95.01372	1.1
108.72997	0.4
111.04509	3.7
119.05008	84.4
125.02422	1.0
127.03986	0.5
137.02414	0.5
151.00389	1.8
155.03497	4.1
157.10146	0.6
163.03993	100.0
173.04512	5.8
189.05539	0.7
191.03802	0.8
191.05585	23.7
218.32777	0.6
221.10973	0.5
250.78679	0.4
263.66104	0.4
277.56842	0.4
296.95886	0.6
310.27667	0.4
337.05499	1.8
337.09314	5.9
337.15259	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.84502	0.3
56.77048	0.3
56.89950	0.3
59.01392	0.3
60.24276	0.3
63.13998	0.3
65.03974	0.4
65.06884	0.3
66.20444	0.3
69.03466	0.3
71.01344	0.3
73.02931	0.8
80.32969	0.3
81.03445	0.4
83.01375	0.3
83.05035	1.8
91.05545	0.5
93.03438	11.5
97.24860	0.3
103.73670	0.3
107.05041	1.9
109.02879	0.3
111.04517	2.3
117.03460	0.4
123.75092	0.3
130.18735	0.3
133.02933	9.1
134.03719	6.0
135.04503	100.0
136.04829	0.5
137.02419	4.6
155.03482	0.5
161.02422	20.7
173.04550	1.3
179.03479	55.6
180.03755	0.4
206.57248	0.3
209.22096	0.3
240.02267	0.4
335.07703	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	335.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12735	0.4
52.07287	0.4
59.01376	100.0
71.01368	13.8
72.99312	1.0
73.02927	4.1
83.01382	2.6
85.02938	5.7
87.00862	0.6
89.02424	7.0
93.03489	0.8
95.01377	1.1
96.95976	2.2
99.00872	2.4
101.02428	9.1
105.89285	0.5
111.04530	3.4
113.02432	7.8
119.03491	1.2
129.37939	0.6
137.02437	0.8
143.03456	0.6
155.03549	1.2
159.02997	0.6
161.02397	2.4
161.04541	13.3
168.99796	0.5
184.01506	0.6
187.38640	0.6
191.05589	0.7
217.01323	1.0
247.02501	0.8
275.01865	3.8
275.11383	17.1
335.04044	2.1
335.07620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84267	0.9
57.03445	2.6
58.00591	1.8
58.08378	0.9
59.01374	100.0
71.01373	41.2
72.18738	1.1
72.99315	2.5
73.02933	1.0
80.27923	0.9
83.01374	2.6
84.85515	1.1
85.02940	12.9
89.02428	41.7
95.01376	1.8
96.96046	2.3
101.02429	28.0
101.03059	2.1
109.57259	1.0
111.04491	1.0
113.02420	13.5
116.13020	1.1
119.03472	17.0
127.09000	1.0
137.59300	1.0
137.86975	1.1
147.01126	1.0
155.07137	4.7
161.02403	1.5
173.08194	2.1
212.03125	1.1
252.61343	1.3
319.27921	1.0
335.13486	81.5
340.58008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1916
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
55.01872	25.4
57.03455	11.7
59.01375	99.0
59.46196	2.9
62.30178	2.8
71.01369	100.0
72.99318	4.8
73.02930	40.8
77.51653	2.4
82.81152	3.3
83.01373	29.8
83.23046	2.7
84.47129	2.6
85.02932	71.5
85.03401	2.9
87.00874	4.2
89.02448	11.8
95.01375	6.7
99.00884	17.1
99.08117	2.9
101.02418	95.8
111.00876	4.4
113.02448	33.6
116.97144	2.8
129.01797	3.7
159.02991	6.5
161.04515	42.4
171.13832	4.6
237.99881	3.1
276.86517	3.3
292.44550	3.5
333.19217	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96196	0.3
59.01374	22.4
59.68967	0.3
70.82508	0.3
71.01366	10.1
72.99303	0.4
73.02946	0.4
81.42926	0.4
83.01435	0.5
84.99879	0.4
85.02943	3.3
87.00848	0.5
89.02426	10.9
92.10847	0.4
93.03435	7.7
95.01362	0.7
99.00850	0.6
101.02424	7.6
113.02409	3.9
119.03461	3.8
132.91829	0.4
133.02916	0.4
136.01646	2.5
136.41089	0.4
137.02422	100.0
149.02420	0.8
151.03990	0.9
157.88567	0.4
161.02415	0.4
173.08182	1.6
179.03470	7.9
209.04506	0.9
239.05624	4.2
273.96454	0.4
299.07706	44.0
335.13394	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
52.77724	0.5
53.41096	0.5
54.82105	0.7
68.83666	0.6
73.02958	0.6
83.05017	2.5
85.94578	0.6
92.10802	1.4
92.65188	0.6
93.03434	16.4
107.04996	1.1
111.04481	2.7
117.03441	0.8
133.02937	10.3
134.03725	6.3
135.04504	100.0
137.02435	9.5
155.03574	1.0
161.02428	20.7
176.73450	0.7
179.03484	56.6
189.07977	0.7
216.66119	0.9
225.05661	0.7
239.50684	0.6
318.12515	0.7
335.07739	18.2
354.91165	0.6
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	Unknow
Peak:m/z	Relative Intensity
54.81448	0.5
58.52295	0.5
59.01375	12.3
64.33203	0.4
66.20800	0.4
68.06273	0.4
71.01363	4.2
73.02933	2.6
85.02938	2.5
89.02431	1.9
91.05531	0.5
92.10107	0.8
96.68733	0.5
98.59227	0.5
101.02402	1.6
107.05009	1.0
109.06579	30.3
111.08128	1.0
113.02428	2.1
113.95056	0.5
124.02603	0.5
127.07628	100.0
128.07994	0.6
134.78380	0.5
141.09206	2.5
151.07585	0.6
171.06609	48.8
191.05638	0.8
201.11371	0.7
213.07642	2.6
261.13385	0.6
296.98560	0.5
300.42325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
56.72094	0.6
57.03452	1.2
59.01374	100.0
71.01368	22.7
73.02930	5.5
74.99106	0.8
81.03476	0.8
83.01396	3.2
85.02930	12.5
86.00071	0.8
87.00858	10.4
89.02443	4.2
91.13354	0.7
93.03442	1.0
95.01366	3.0
96.95988	8.7
99.00859	3.1
101.02422	12.9
108.02179	1.6
110.03746	0.7
111.00869	1.2
111.04526	5.0
113.02429	9.3
113.55302	0.7
122.68433	0.8
125.02428	1.0
127.83786	0.7
132.64922	0.7
159.02969	1.5
161.04541	20.1
181.07201	0.9
183.06575	1.6
224.19427	0.8
273.09698	3.4
333.12003	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12875	7.6
78.99900	6.5
83.81915	7.5
93.34003	7.2
95.54473	7.6
109.56095	6.4
116.24070	6.9
133.47011	7.3
173.48473	7.7
195.13762	11.1
242.69481	8.6
295.22784	100.0
300.95703	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	333.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20840	0.3
54.77542	0.3
54.81953	0.3
64.43954	0.4
78.95888	100.0
82.41869	0.3
82.78025	0.4
85.01353	0.3
93.76845	0.4
95.74156	0.4
96.95975	1.7
96.96944	23.4
100.74226	0.4
104.03484	0.4
118.99597	0.4
122.01890	0.3
124.43529	0.3
128.08340	0.3
150.97987	1.6
152.99571	68.0
171.00607	8.1
202.85161	0.4
203.96791	0.4
214.88147	0.4
217.89070	0.4
223.00151	0.6
241.01173	33.3
259.02191	2.2
273.04645	2.1
278.84277	0.5
278.87177	0.6
296.85071	0.5
296.88193	0.6
333.05920	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91069	0.3
64.01931	0.4
71.55539	0.4
72.61531	0.4
78.03490	0.8
80.05070	0.7
84.16062	0.3
87.83267	0.4
89.02361	0.4
91.00677	0.4
92.05051	3.6
94.06602	7.6
103.04254	0.5
104.05060	4.5
105.03479	3.1
106.06617	18.6
107.03791	0.8
108.04574	2.6
120.04536	7.3
121.05332	2.5
122.02458	1.0
122.06107	21.1
123.03247	3.7
124.07652	0.6
131.03741	0.9
132.04532	11.1
135.03233	0.8
136.03972	0.5
138.05594	34.9
140.07118	0.7
148.04070	0.6
150.05589	3.5
161.02470	0.6
169.95407	0.4
174.12869	0.9
188.07062	0.5
189.07968	1.4
197.07091	0.5
200.05760	0.6
202.12355	0.4
213.06735	0.6
215.11891	2.1
217.07407	2.1
227.08321	0.9
229.09822	0.8
231.09093	0.9
231.11272	0.7
241.09804	4.9
243.11394	2.9
259.10834	0.8
271.10733	0.8
289.11932	100.0
290.12189	0.9
296.03522	0.4
302.41956	0.5
333.10858	7.9
345.02869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27435	0.2
51.54107	0.2
55.01870	0.4
58.00578	0.2
59.01375	11.4
69.03425	0.8
71.01369	6.3
73.02931	6.7
75.00840	0.3
83.01373	0.4
85.02955	1.8
87.00851	2.4
89.02427	25.7
101.02426	0.5
103.03991	3.5
112.48610	0.3
129.01903	0.3
131.03485	9.6
149.04535	100.0
149.69426	0.3
150.04910	0.3
152.04253	0.3
152.91183	0.3
179.11823	0.3
215.15616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1396
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
53.42857	1.1
54.36058	1.1
57.03438	13.7
59.01371	14.8
65.38553	1.2
69.03445	23.0
71.01377	7.7
71.05009	2.6
72.99319	2.2
75.00860	36.1
75.43298	1.2
82.19692	1.2
85.02943	5.7
93.69440	1.8
99.00858	1.7
101.02431	2.0
104.91875	1.2
105.00994	1.2
105.01746	1.4
111.00853	2.0
111.08160	3.4
113.06059	1.4
122.99235	2.1
123.08163	2.5
129.01897	5.8
139.11275	29.7
144.96913	1.3
147.02977	28.0
183.10246	100.0
331.13995	64.4
353.29169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1759
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01871	15.5
57.03455	8.0
59.01373	62.5
59.01672	2.3
59.03862	1.4
63.63468	1.4
71.00975	3.7
71.01370	100.0
72.99293	2.0
73.02927	25.2
74.45222	1.3
75.00856	2.3
83.01375	15.2
85.02939	55.9
85.03416	2.6
87.00858	2.6
87.58978	1.5
89.02415	13.7
95.01394	7.5
99.00858	15.8
101.02421	48.8
106.54264	1.4
113.02429	28.4
114.26616	1.8
143.03430	2.7
159.02960	6.4
161.04546	32.5
331.17722	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	331.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12875	7.6
78.99900	6.5
83.81915	7.5
93.34003	7.2
95.54473	7.6
109.56095	6.4
116.24070	6.9
133.47011	7.3
173.48473	7.7
195.13762	11.1
242.69481	8.6
295.22784	100.0
300.95703	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07927	0.3
59.01381	100.0
63.66188	0.4
107.17255	0.5
137.97404	0.5
161.41672	0.4
165.12828	0.5
184.54469	0.4
209.11752	1.7
225.14951	54.5
269.13965	8.8
287.14932	0.8
329.16077	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
52.57647	0.6
52.74352	0.4
54.07558	0.4
57.03444	2.3
59.01383	0.9
69.03413	0.6
88.57275	0.6
92.10821	1.0
99.08148	6.6
101.52529	0.6
108.93491	0.5
125.09690	1.1
127.11266	4.3
129.09192	0.6
130.89758	0.5
139.11275	7.5
155.10881	0.6
155.14429	1.0
157.12296	0.9
161.28412	0.6
165.17583	0.5
167.14404	1.3
170.91563	0.5
171.10240	16.9
183.13866	7.6
193.12323	2.7
209.11794	1.2
211.13390	37.3
229.12289	1.2
229.14426	20.2
310.80231	0.6
311.22397	0.7
329.23343	100.0
330.23795	2.1
330.56799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
71.98943	0.3
109.02934	0.6
137.02411	3.9
138.03214	9.6
157.60170	0.3
167.02231	2.8
168.03000	100.0
169.03293	0.3
293.75513	0.3
330.08316	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	331.0674
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01382	8.6
69.03458	5.7
71.01377	8.4
73.02943	1.4
81.03467	2.0
83.01384	3.4
85.02953	1.1
89.02433	10.0
92.10194	1.6
95.01385	1.2
96.95982	4.0
97.02960	4.9
101.02445	7.8
107.01411	1.1
113.02433	3.8
119.03474	1.6
123.00872	4.8
124.01651	22.9
125.02421	100.0
131.03496	1.1
131.14490	0.8
149.99567	37.9
151.00301	2.0
152.91669	1.4
167.03436	1.6
168.00621	70.4
169.01407	32.3
179.05629	3.5
181.07167	32.0
187.90660	0.9
232.87315	1.0
276.30267	0.9
313.05707	7.1
327.19870	1.0
331.06696	85.8
332.07126	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
56.37159	0.4
57.03453	0.6
59.01387	0.6
71.01391	0.6
83.01384	1.0
84.00909	1.0
85.02958	1.8
90.60798	0.4
96.95971	3.5
101.02418	0.5
110.00075	7.2
123.00937	0.6
123.04504	1.1
124.01630	0.9
125.02433	11.7
137.99568	9.3
138.03181	0.5
139.00363	1.1
140.01096	0.6
151.00391	0.9
151.03946	0.4
152.01132	3.3
152.91801	0.8
153.01921	100.0
154.02687	3.4
155.03459	0.9
164.01064	0.5
166.02655	0.6
167.03468	6.8
168.04260	32.8
169.01404	3.4
169.05028	7.5
179.03378	0.8
191.05641	0.5
209.04347	0.7
213.55368	0.6
221.04536	0.5
232.87346	0.9
250.88666	0.9
325.52075	0.5
331.06702	1.8
331.10309	2.6
334.45389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89108	0.2
57.03451	0.7
59.01376	1.4
60.79996	0.2
65.00301	0.4
69.03437	0.2
71.01368	0.4
76.58100	0.2
81.03445	6.9
81.03893	0.4
83.01376	4.0
85.02967	0.3
93.03449	0.3
95.01331	0.3
95.05011	1.4
97.02924	0.9
99.04507	0.4
102.79151	0.2
107.01380	0.4
109.02970	0.2
112.71489	0.2
121.02929	0.4
121.71283	0.2
123.04499	53.0
125.02423	6.3
131.01364	0.3
135.04514	1.9
137.02440	1.1
137.20171	0.2
139.04022	1.0
149.02454	1.4
151.00391	1.6
151.04008	1.3
161.18367	0.2
163.04007	1.8
166.02666	0.7
167.03474	100.0
168.03844	0.8
175.00365	1.5
179.03529	1.5
180.04224	0.3
181.05084	3.6
191.03488	17.7
193.05133	0.3
199.29071	0.2
209.04533	7.8
221.04610	1.7
269.06580	0.3
329.08792	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	329.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.1
59.01377	17.3
71.01380	100.0
72.99306	40.3
85.02977	3.3
87.00876	48.9
89.02429	2.3
92.63556	2.0
96.99286	1.7
108.02218	1.6
115.00370	24.7
122.03732	14.0
123.04506	12.2
129.01915	25.3
136.49289	1.7
147.02982	79.5
167.03471	3.0
181.07086	2.7
191.05571	10.7
214.98911	1.8
229.00998	2.1
329.08740	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19501	0.2
59.01362	3.4
59.01575	0.2
60.09416	0.2
65.14970	0.3
67.01875	0.4
69.03459	0.3
71.01373	2.0
72.72425	0.3
73.02933	0.5
74.87064	0.2
77.82458	0.3
81.03436	0.4
83.05042	0.7
85.02419	0.4
85.02935	12.8
87.00851	3.2
89.02457	0.4
92.10883	0.6
93.03437	8.0
96.95997	0.3
109.02916	0.6
111.04485	1.1
113.02427	0.3
123.04450	2.2
127.04015	2.2
131.07120	0.5
153.01924	0.5
161.06062	0.4
171.02974	0.3
173.04558	3.6
188.03265	0.3
191.05597	100.0
220.93872	0.3
221.00882	0.5
311.03967	0.4
329.05087	0.4
329.12204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24018	0.4
59.01374	100.0
59.85148	0.4
69.89706	0.4
71.01383	2.6
73.02931	0.8
78.90247	0.4
83.01389	0.4
85.02959	2.0
87.00866	0.5
88.16873	0.4
93.03449	0.8
101.02421	3.0
113.02417	0.8
159.03091	0.6
161.04564	2.3
247.17387	0.4
269.10297	3.9
329.11960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73299	0.2
59.01379	0.9
64.51693	0.2
65.00325	1.1
65.03938	0.3
68.99801	0.5
69.03442	0.3
81.03431	0.3
83.13853	0.2
91.01878	36.2
107.01350	0.3
108.02153	0.3
109.02955	0.5
123.00927	0.3
124.01661	1.3
135.00867	43.7
139.03986	1.7
152.01115	1.0
167.03477	100.0
168.03801	0.4
173.86890	0.3
179.03488	0.3
256.90024	0.3
316.09158	0.3
329.08835	4.3
340.86090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
54.27512	0.5
59.01379	1.9
61.98838	0.7
69.18490	0.5
69.68825	0.4
71.01375	1.2
78.95901	0.6
81.03461	1.0
82.79483	0.5
85.02929	0.8
96.96042	0.7
97.77869	0.6
101.12992	0.6
108.02164	99.5
113.02376	0.5
121.02940	1.3
123.00935	0.6
123.04506	45.3
125.02438	0.7
149.02477	1.1
152.01144	69.9
159.05762	0.7
167.03484	100.0
177.31363	0.5
231.97330	0.6
251.57500	0.6
329.08722	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	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88393	0.4
53.30520	0.4
58.81009	0.4
59.01374	62.7
61.03594	0.5
74.99361	0.7
89.18772	0.4
115.02479	3.4
117.00420	9.9
143.01982	2.5
144.99907	1.1
157.03555	1.9
159.01474	100.0
160.01657	1.1
168.99747	0.6
170.97855	3.4
187.00964	98.2
188.01028	0.8
201.02562	12.2
268.33447	0.5
269.66788	0.6
274.99341	2.0
329.02087	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.35970	0.3
59.01383	2.7
59.91474	0.3
71.01372	11.8
72.99300	2.9
73.02946	1.8
78.95903	0.4
82.59290	0.4
85.02922	3.4
87.00858	4.5
92.10794	0.6
93.03392	0.4
96.96010	0.6
101.02402	2.9
108.02168	2.4
109.02965	0.9
113.02447	2.7
115.00368	1.9
121.02940	0.9
122.03720	100.0
123.04511	16.3
132.03490	0.4
135.04527	0.9
137.02390	0.6
137.06044	1.7
147.03001	4.9
147.04591	0.7
148.05261	0.5
148.80978	0.5
150.03252	0.5
159.03067	0.7
161.04543	5.4
165.05551	3.3
167.03508	1.9
177.05534	1.0
191.05598	1.6
219.87074	0.4
227.25156	0.5
257.33563	0.6
285.09805	0.7
329.08786	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	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30777	0.2
55.03033	0.3
57.03435	0.5
59.01375	2.4
65.00310	0.4
65.41806	0.2
67.01920	0.3
71.01342	0.3
72.79037	0.3
77.04175	0.2
81.03442	7.0
83.01370	3.2
85.02938	0.3
92.10119	0.7
93.03428	0.4
95.05022	1.5
97.02940	1.1
107.01409	0.3
107.05006	0.4
109.02885	0.4
121.02934	0.5
121.09833	0.3
123.04505	51.5
125.02412	6.3
131.01311	0.3
135.04504	1.2
137.02440	1.1
139.03978	0.6
149.02435	1.2
151.00383	2.0
151.03932	1.1
151.46893	0.3
162.01520	0.3
163.04001	1.7
166.02673	0.6
167.03482	100.0
168.03813	0.5
175.00278	1.0
179.03497	1.2
180.04277	0.4
181.05051	3.5
191.03497	19.3
209.04555	7.2
221.04567	2.2
233.04718	0.3
269.06577	0.4
329.08780	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	327.2902
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.78845	1.6
59.01376	100.0
59.01673	3.6
61.88521	1.5
70.53594	1.9
83.22493	1.7
92.10838	9.6
130.29193	1.7
163.47638	2.0
327.29028	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01378	100.0
62.05479	4.6
71.13419	4.5
76.26208	4.5
80.14265	5.2
123.89637	4.7
156.92261	5.5
210.69362	4.9
275.78418	4.5
327.29126	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.40763	0.7
57.03444	0.7
57.90571	0.9
58.00602	1.2
59.01374	57.6
61.98313	0.9
71.01372	26.7
72.99304	4.0
74.84608	0.8
83.01391	1.3
85.02945	5.6
89.02430	19.6
95.01392	1.3
101.02419	11.3
113.02413	6.6
119.03468	7.2
119.05006	5.4
129.99303	0.9
147.04509	100.0
156.49287	1.0
163.30011	1.0
165.05553	16.4
189.46422	0.9
327.10861	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01887	0.8
57.03451	5.0
59.01387	0.4
69.03446	2.2
71.01372	0.6
83.05038	0.9
83.26015	0.4
83.97429	0.4
84.02157	0.5
85.02940	14.2
95.05006	1.1
97.02907	1.6
97.06558	6.2
107.70899	0.4
109.06630	0.5
111.08223	0.5
119.08683	0.7
121.65505	0.5
125.09691	1.8
127.11274	2.9
131.57013	0.4
137.09720	3.3
145.45847	0.4
155.10753	1.1
155.14386	0.7
165.12862	0.7
167.14468	0.7
171.10251	32.3
177.12732	1.9
183.13873	6.1
185.11815	0.9
185.22194	0.5
193.12326	2.1
197.11794	0.7
203.10760	0.6
209.11833	2.2
211.13388	25.3
221.11847	3.3
229.14455	15.1
239.13048	0.9
291.19757	3.6
309.20648	0.9
327.21774	100.0
328.22107	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	326.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74520	1.1
54.81258	1.3
58.00556	1.4
59.01373	2.4
71.01376	6.4
72.00897	10.2
73.02933	12.4
79.56792	1.2
80.02679	3.0
83.05013	3.6
132.45477	1.3
134.04718	16.0
163.17679	1.9
167.23668	1.4
197.18872	1.5
221.19070	27.6
223.20662	100.0
225.22163	13.9
235.20764	2.9
251.20158	6.3
253.21721	88.6
282.24411	13.0
326.23114	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	327.0872
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
54.81930	0.7
55.21308	0.8
55.31093	0.8
58.81461	0.8
59.01362	1.1
68.99337	0.8
69.91355	0.9
70.73598	1.0
91.01384	0.8
93.03433	39.9
96.99272	11.9
117.03449	1.6
119.04995	51.8
123.04464	4.4
130.04190	2.0
131.04997	11.5
133.02905	9.5
143.05003	32.8
145.02910	6.1
147.04428	1.1
159.04448	1.7
163.03990	24.5
171.04494	4.2
191.05571	2.0
210.06844	1.1
211.07588	8.9
221.09709	1.5
223.07539	1.6
235.07552	6.3
237.09186	10.8
239.10721	0.9
247.07697	1.2
263.07233	0.9
265.08652	28.9
283.09692	2.2
309.07733	8.9
327.08716	100.0
328.09012	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45510	0.4
58.66167	0.5
59.01375	100.0
64.73122	0.4
71.01373	4.5
73.02933	2.4
82.47182	0.4
85.02941	2.6
87.00801	0.4
89.02451	0.8
99.00885	0.8
101.02410	4.4
113.02428	2.3
117.05561	2.1
119.05012	0.6
122.06079	0.6
124.04006	2.6
136.03926	0.5
145.02925	0.8
161.04532	3.0
163.03929	0.5
200.07654	0.5
208.66055	0.5
217.09685	0.5
265.12921	11.8
325.05246	0.6
325.14151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20945	0.2
59.01370	6.3
59.79811	0.2
61.03618	0.2
71.01366	3.1
85.02950	0.5
89.02424	2.5
93.03444	0.4
99.52325	0.2
101.02424	1.2
113.02442	1.5
117.03445	28.3
119.03508	0.2
119.05003	5.5
133.06531	0.4
135.04477	0.4
145.02940	100.0
146.03265	1.1
159.04495	0.4
161.06056	1.2
163.03992	5.3
187.04010	2.2
191.05608	0.9
192.14777	0.2
205.05023	1.2
238.91138	0.3
244.06554	0.4
256.24423	0.2
265.07101	0.9
288.24747	0.2
325.09299	4.9
331.83231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29006	0.4
54.90394	0.4
55.43751	0.3
58.14233	0.4
59.01376	100.0
67.50478	0.4
71.01382	3.2
73.02941	1.1
73.67083	0.4
78.75632	0.4
83.01379	0.5
83.06400	0.4
85.02937	2.3
89.02424	1.6
89.18666	0.5
92.10815	1.0
99.00854	0.8
99.93694	0.4
101.02430	3.7
105.64950	0.4
113.02435	1.7
117.05552	0.7
122.06201	0.5
124.04015	0.7
134.04729	0.7
135.04501	1.9
161.04527	2.8
199.82477	0.4
265.12906	8.0
292.26526	0.5
325.14359	0.8
327.75500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	22.5
71.01746	1.0
72.99292	4.5
78.95903	0.5
87.00844	0.5
89.02440	3.1
89.51852	0.5
114.99736	1.2
115.00350	62.5
133.01407	100.0
134.01848	0.5
143.08583	0.5
152.65790	0.4
207.32465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
52.08425	0.2
59.01377	8.0
71.01375	2.8
72.62076	0.2
76.33432	0.2
82.21745	0.3
85.02946	0.5
89.02424	3.7
95.01366	0.3
97.43919	0.3
101.02422	1.1
105.72852	0.3
113.02457	0.4
117.03448	27.2
118.51129	0.3
119.03561	0.4
119.05013	4.5
133.06601	0.5
145.02946	100.0
146.03307	0.6
157.58391	0.3
159.04503	0.6
161.06032	0.5
163.03995	5.0
187.03958	2.8
205.05177	1.0
265.07150	1.1
325.09286	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	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01375	4.6
71.01375	0.4
80.02090	0.2
83.60108	0.2
85.02953	0.3
89.02461	0.2
91.05506	0.2
93.03454	0.4
101.02424	0.4
109.02961	0.5
117.03455	0.4
119.05002	100.0
120.02428	0.2
120.05324	0.4
121.02947	0.3
124.04013	0.3
135.04457	0.3
151.04007	0.3
161.04588	0.2
163.03987	36.7
164.04384	0.2
181.33771	0.2
184.71094	0.2
191.05521	0.3
207.02931	0.3
217.09807	0.5
221.23781	0.2
239.29645	0.2
265.12775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58480	0.7
58.00590	0.7
59.01375	100.0
71.01370	39.0
71.01747	1.5
72.99300	3.6
83.01385	1.9
85.02936	8.9
89.02426	40.3
92.10176	1.0
95.01375	3.2
96.96033	0.8
101.02428	20.5
113.02422	14.3
118.97970	0.8
119.03482	17.0
126.74422	0.8
179.05582	1.5
291.41098	0.8
323.13470	75.7
334.39575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94098	0.4
57.03449	0.7
59.01380	3.1
67.08921	0.4
71.01379	26.1
72.29400	0.4
72.99291	5.3
84.02588	0.5
85.02966	0.6
87.00887	2.1
88.50164	0.4
89.02433	5.1
98.38339	0.4
115.00360	69.7
127.19186	0.4
133.01413	100.0
133.05069	3.1
137.17274	0.5
147.03047	0.5
161.65768	0.5
169.14149	0.4
181.07240	0.6
325.05411	0.7
325.11246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.2
59.01374	50.1
60.18577	1.0
71.01379	4.9
74.65560	1.1
80.72176	1.1
87.55167	1.1
89.02440	6.6
101.02446	4.7
115.37081	1.0
149.31538	1.0
154.97476	1.0
159.05571	1.6
160.06390	25.4
161.07188	96.1
166.68071	1.2
175.08736	60.6
187.50519	1.4
189.06679	100.0
203.06317	1.4
203.08247	36.0
203.09998	1.8
203.11732	1.0
229.09836	1.7
235.41566	1.1
284.18509	1.2
323.12473	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80169	1.0
54.77454	0.9
58.64371	0.9
58.79271	0.9
59.01377	100.0
61.54952	1.0
93.03445	74.5
103.35428	1.1
113.02431	1.2
123.96251	1.0
126.00623	1.1
128.15683	1.1
132.89096	1.1
137.02438	66.3
151.03989	2.4
281.06577	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	323.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63322	0.7
50.81061	0.6
53.79556	0.6
54.81316	0.7
57.03444	16.2
58.24382	0.6
59.01375	52.6
69.03465	0.8
70.58196	0.6
71.01372	24.6
73.02933	62.8
75.00870	0.9
79.97198	0.7
81.03452	1.2
83.01410	1.2
85.02936	6.5
87.00889	3.7
89.02430	29.4
93.14513	0.7
95.01360	2.7
99.00872	7.9
99.04508	14.9
101.02424	17.5
113.02439	16.2
116.92844	1.4
117.01917	100.0
119.03488	11.1
123.04493	1.7
125.02410	6.7
131.03461	4.0
143.03482	4.7
149.04529	1.1
161.04532	14.5
179.05582	11.6
183.18060	0.8
263.07620	1.4
274.17111	0.8
323.09866	0.9
323.13409	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	321.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22472	0.4
54.33347	0.4
54.74454	0.4
59.01375	100.0
71.01363	4.3
72.34558	0.4
85.02956	0.4
89.02426	5.6
91.80740	0.4
93.27596	0.4
101.02422	2.4
113.02420	0.8
119.03422	1.4
124.87093	0.4
139.97964	0.5
145.02939	0.5
147.04536	0.5
160.46600	0.4
186.08055	0.5
297.04260	0.5
321.15668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36638	0.4
57.47989	0.5
59.01376	100.0
73.54232	0.7
135.04515	2.2
154.75868	0.7
213.06773	0.6
218.45409	0.7
293.61255	0.7
298.26102	0.6
308.66028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88135	0.6
57.03438	1.5
58.28602	0.7
59.01389	6.9
59.29565	0.6
65.35137	0.6
69.03454	28.6
71.01378	3.9
72.01957	0.6
73.02942	56.3
75.32412	0.7
77.72361	0.8
85.02953	1.4
85.86736	0.8
87.00873	69.0
89.02428	1.3
99.00864	8.6
101.02439	0.9
107.62428	0.7
112.98792	3.1
113.02443	65.9
115.00340	0.9
117.01926	100.0
127.46972	0.9
131.03485	53.8
142.99876	3.0
161.04507	0.9
179.05623	1.0
203.03445	1.0
254.51961	0.8
323.07617	1.7
344.18530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37049	0.7
53.67424	0.6
54.76733	0.8
55.01879	1.9
57.03458	0.7
57.61540	0.8
58.00594	1.4
59.01373	55.1
62.53155	0.8
71.01375	20.4
72.99299	1.5
83.01393	2.0
85.02944	7.9
87.00859	1.2
89.02431	20.6
95.01369	1.3
101.02431	13.0
113.02428	8.4
113.09711	36.1
113.61420	0.8
119.03478	5.7
141.09203	6.2
143.10793	1.2
155.10805	1.7
159.10258	68.3
191.05499	0.9
201.11281	1.4
321.15536	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	319.1394
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
52.02512	0.4
53.92491	0.5
55.01889	1.0
56.71518	0.5
57.03456	2.6
58.00579	0.6
59.01376	62.1
60.27667	0.5
64.38885	0.5
71.01370	26.2
72.99301	1.0
73.02959	2.7
79.82684	0.5
82.97839	0.5
83.01385	1.2
84.02154	0.7
84.81010	0.5
85.02935	7.5
87.00855	1.0
89.02431	18.4
89.91803	0.5
92.10085	0.6
95.01408	1.2
101.02424	15.5
111.08146	31.6
113.02455	7.7
119.03486	8.6
122.44586	0.6
139.07645	7.3
153.09213	0.8
157.08681	70.2
163.57011	0.6
164.68782	0.6
179.05658	0.7
199.09787	1.1
281.23654	0.6
319.13965	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	319.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69083	75.0
69.48712	71.4
70.38712	85.6
75.92589	72.2
97.62177	84.1
109.75921	83.5
184.09338	89.1
276.08475	82.0
286.71133	100.0
334.13150	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61606	1.3
58.69619	1.2
59.01379	9.0
68.99809	2.9
71.01376	6.1
79.22428	1.4
79.30128	1.3
83.01379	25.0
85.02953	2.4
87.00851	6.2
90.24389	1.3
92.54228	1.3
93.03443	27.5
96.99300	2.3
99.00874	1.8
107.05042	2.2
111.00883	1.7
113.02461	1.6
115.00354	8.4
117.03451	7.1
119.05026	38.7
121.06606	1.6
127.00346	3.4
131.05045	2.3
133.02934	1.9
133.06561	15.9
135.04486	2.2
139.00354	7.7
142.72076	1.6
143.04979	2.8
145.02933	15.4
147.04509	41.8
148.05258	3.0
149.06065	34.5
157.01408	8.0
159.04512	5.3
160.05193	1.7
161.02438	1.9
161.06059	13.6
163.04013	2.3
165.05580	12.7
171.04605	1.9
173.06035	2.6
174.59567	1.5
175.02498	10.8
175.03839	1.8
177.05554	46.1
185.06064	3.4
189.05548	8.1
193.05008	11.0
203.07181	8.3
217.05048	13.0
221.04550	100.0
229.05066	2.1
235.15953	1.4
261.03995	29.2
277.07184	1.8
291.05084	5.3
321.06201	5.4
325.47006	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	319.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07362	0.3
55.01884	2.0
69.03448	0.6
71.05011	14.6
71.10205	0.4
78.82047	0.4
83.01385	0.7
92.63184	0.3
93.03486	0.6
95.04535	0.4
95.05005	27.2
97.02931	46.3
99.85201	0.4
108.02137	0.6
109.02939	22.1
115.03989	6.1
121.02981	0.6
137.02403	2.2
139.03993	100.0
145.03014	0.4
153.01918	25.0
161.02568	0.4
165.01907	11.0
183.02965	90.9
235.89322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65916	3.0
59.01371	59.8
71.01366	32.4
74.18501	3.7
80.02668	15.6
85.02932	5.7
89.02436	25.7
95.05008	100.0
95.44601	4.2
101.02414	17.5
109.06605	4.7
113.02435	7.5
113.06081	62.7
137.06053	40.2
139.04019	21.7
145.02972	5.0
157.05013	35.3
170.76781	3.7
197.08191	5.5
206.28845	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	319.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05556	1.0
56.97451	1.0
59.01376	100.0
59.33162	0.9
61.49738	0.9
71.01356	1.8
73.02939	1.3
78.95895	0.9
80.40825	1.0
85.02942	1.2
96.96017	1.1
121.02932	1.5
128.55890	1.3
135.50046	1.2
145.02957	2.7
149.54898	1.3
161.04530	2.3
161.21005	1.1
190.40222	1.0
195.27567	1.1
196.83923	1.2
197.99844	1.4
212.35300	1.2
216.00974	2.2
259.08286	2.1
300.64517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0457
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
50.77556	1.3
56.16512	1.1
57.03454	20.3
63.02394	2.0
65.00330	9.1
83.01398	9.6
93.03442	6.1
97.02931	3.7
99.00882	7.1
107.01392	15.3
109.02953	19.8
121.02950	11.7
125.02423	100.0
136.21379	1.4
137.02431	46.1
138.40453	1.4
139.03989	3.7
141.01939	2.2
147.00888	2.9
148.01645	22.1
149.02438	32.8
149.26727	1.7
151.00354	39.3
153.01918	11.5
161.02338	2.1
164.01192	2.0
165.01917	35.0
169.01396	16.3
175.00325	8.1
178.99854	6.4
181.01384	2.2
183.02975	61.6
189.01936	1.7
193.01425	33.6
196.31973	1.4
209.00906	18.6
223.16920	1.4
257.04562	6.3
301.03394	12.0
319.04520	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	316.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71038	0.1
63.83004	0.1
65.99834	0.2
69.14529	0.1
96.94361	0.2
100.09200	0.2
107.92117	0.1
113.89650	0.2
115.00376	0.2
123.00848	2.1
124.01627	11.1
137.01163	0.8
153.00658	0.3
154.01437	100.0
155.01758	0.3
179.57625	0.2
191.05627	0.2
316.06702	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	317.0299
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
54.81541	0.8
57.03454	3.4
60.44643	0.6
63.02395	9.0
65.00328	8.6
74.04579	0.6
81.03484	0.7
83.01383	9.6
91.01874	1.7
95.01373	8.4
99.11840	0.9
107.01382	18.8
108.02207	3.3
109.02940	100.0
110.03339	0.8
111.00861	0.9
123.00891	1.3
124.01632	7.1
125.02409	14.0
133.02919	3.1
135.00858	7.7
137.02374	0.8
151.00346	46.5
152.01151	22.2
153.01927	31.3
159.04501	1.0
161.02393	3.2
163.00363	41.4
164.01137	1.9
169.01392	4.3
175.03973	3.2
178.99860	22.1
181.01408	1.5
183.04427	1.3
185.02457	1.1
189.01912	1.3
190.99850	28.8
199.03987	1.4
203.03564	2.9
206.99350	19.3
208.00114	10.9
211.04065	5.8
213.01915	1.2
217.05043	1.3
227.03477	10.2
231.02945	4.0
245.04488	1.4
255.02937	13.0
271.02463	3.6
273.04123	3.1
299.02002	8.5
311.00500	0.8
317.02948	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	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47083	0.4
59.01390	0.7
59.11569	0.5
64.33154	0.4
64.36864	0.5
66.77608	0.5
80.99073	0.5
87.09061	0.5
96.96024	1.2
98.95599	1.9
99.92539	0.7
109.02944	0.8
111.99527	0.6
114.05591	100.0
115.92090	1.2
116.92834	3.1
120.99648	6.5
122.00024	0.8
124.48789	0.5
124.68037	0.6
126.05547	0.9
131.48776	0.6
153.01932	0.8
154.02312	0.8
156.06657	54.5
191.05478	0.6
251.99586	0.6
278.56610	0.6
318.02844	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	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
63.63688	0.3
68.12718	0.3
70.98656	0.3
89.02423	0.3
92.63974	0.4
94.98283	0.3
95.05035	1.2
101.76942	0.3
109.02950	0.6
122.03723	0.6
123.04503	100.0
124.04867	0.5
135.04518	0.5
153.05560	98.5
154.05917	0.5
158.70917	0.3
219.31779	0.3
240.03241	0.4
315.10751	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	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.44592	0.7
53.73466	0.7
58.00631	0.6
59.01385	3.3
68.05525	0.6
111.83936	0.7
121.56165	0.7
127.11256	1.2
155.10768	11.5
171.10281	4.5
174.26152	0.9
216.73190	0.8
249.22337	0.7
277.21805	0.9
295.22729	13.6
309.71671	0.8
313.23834	100.0
314.24118	1.5
337.10257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.52658	0.5
71.01385	3.9
73.02924	1.0
78.95900	6.3
81.03445	1.1
82.13622	0.7
83.01385	0.8
83.79147	0.7
83.98228	0.7
85.02940	1.7
89.02428	1.0
95.01362	0.8
96.96013	7.1
96.96954	6.9
99.00918	0.9
108.02166	100.0
109.02942	42.0
115.00367	1.6
119.90456	0.6
122.97634	0.8
123.04563	1.1
133.01414	1.6
133.05066	6.0
151.03975	1.0
152.01141	58.8
153.01927	36.1
181.07130	5.1
184.71771	0.8
203.15581	0.7
315.07236	47.8
327.63745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
61.98266	0.6
63.95499	0.6
73.00314	0.6
81.03452	0.8
85.02959	1.6
87.20686	0.6
92.10828	1.6
108.02160	100.0
109.02936	84.1
113.02479	0.9
129.17613	0.8
135.75473	0.6
147.32004	0.7
152.01129	51.5
152.42174	0.7
153.01917	70.9
172.14781	0.7
182.76308	0.9
207.88487	0.7
260.81644	0.6
315.07205	46.1
316.07419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1084
Annotation	Taxicatin
Peak:m/z	Relative Intensity
54.49016	0.3
59.01362	0.3
60.63353	0.3
62.58599	0.3
65.46243	0.3
71.01360	0.3
71.31518	0.3
86.38108	0.3
95.05016	0.5
109.02950	0.5
122.03735	0.7
123.04498	100.0
124.04877	0.4
135.04515	0.5
148.35246	0.3
153.05554	96.9
154.05916	0.6
215.75873	0.3
315.10809	3.0
338.98053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.76521	3.2
55.93320	3.7
59.01382	19.1
99.08147	3.8
113.09728	4.4
128.15630	3.8
161.04021	3.8
179.08136	4.5
181.12378	4.4
197.11829	17.2
211.13425	22.3
293.21121	30.5
311.22250	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	313.0929
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
51.13460	0.1
59.01358	0.2
64.68859	0.1
70.61166	0.1
71.01407	0.1
83.77331	0.1
86.98643	0.1
108.02138	0.2
109.02931	4.0
111.00835	0.3
123.00860	0.8
124.01611	0.8
150.03191	1.0
151.03993	100.0
152.04330	0.8
164.19429	0.2
208.50034	0.1
259.30563	0.2
278.96103	0.2
303.15240	0.2
313.09271	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	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.85492	0.2
59.01379	1.4
64.33592	0.2
80.95080	0.3
86.47010	0.3
107.27966	0.2
125.09714	1.2
127.11282	1.3
139.11301	0.4
141.12878	0.4
155.10748	3.8
171.10254	5.4
191.82774	0.3
265.21722	0.3
267.23224	0.6
277.21622	0.4
295.22760	10.3
311.22305	1.6
313.23837	100.0
314.24112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40940	0.7
56.36450	0.6
57.03423	1.3
59.01363	1.4
73.22913	0.8
80.81964	0.8
91.48419	0.8
96.58427	0.9
112.73371	0.8
113.83383	0.8
121.10170	0.9
125.09702	1.4
130.58260	0.8
139.11276	1.1
141.12843	4.0
171.10252	36.0
180.09653	0.9
183.10207	1.3
202.68570	0.8
231.21288	0.8
263.20135	8.2
275.20175	12.9
292.41412	0.8
293.21207	27.0
311.22284	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2224
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.00002	1.6
55.60766	1.8
56.86363	1.9
58.00595	19.6
59.01380	4.5
92.10834	4.5
107.74191	2.2
127.07608	4.9
128.40964	2.1
137.92677	1.9
183.13893	35.1
201.11217	8.0
213.14981	13.2
228.57428	1.8
241.14394	9.8
293.21155	4.8
295.37982	2.4
311.16879	2.6
311.22260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
59.01376	6.4
59.24031	1.4
100.68880	1.5
117.79373	1.3
125.09734	2.5
127.11262	7.0
137.09641	1.5
139.11279	18.6
155.10728	2.8
171.08815	3.1
171.10245	82.0
183.10220	7.7
185.11809	21.3
201.11316	12.1
228.81012	1.5
275.20181	6.8
293.21231	26.0
311.22269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
53.29918	0.8
54.82219	1.0
57.03470	2.1
59.01385	6.6
64.27874	0.9
77.96971	1.0
78.71220	0.9
79.19564	1.2
92.91492	1.1
99.12043	1.0
113.09727	2.2
114.81572	1.1
125.09701	1.5
127.11274	2.0
129.09210	5.8
129.30734	1.1
139.11258	6.0
155.10802	1.2
169.12411	1.9
171.10249	26.4
177.12556	0.9
181.12338	4.2
183.10275	1.7
183.13818	2.1
185.11794	5.0
193.12128	1.2
197.11813	8.3
199.13469	2.2
201.11317	4.8
211.13417	16.1
265.21927	1.2
275.20154	3.9
291.66602	1.2
293.21234	19.6
311.12897	5.5
311.22266	100.0
312.22263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60599	0.2
52.63317	0.2
59.01384	0.4
61.06891	0.2
64.00103	0.2
79.95702	1.7
86.66131	0.3
89.40379	0.2
114.37115	0.2
119.05041	2.4
170.00447	2.4
182.58464	0.2
183.01190	77.9
184.01981	2.7
197.02847	1.7
198.03517	0.3
212.05048	0.3
216.00983	1.6
225.05920	1.2
230.02565	0.4
239.07283	0.4
258.05554	0.3
293.21149	0.3
311.16858	100.0
312.17221	1.7
325.87589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17219	0.7
57.03443	1.7
59.01374	4.5
69.01296	0.7
69.85732	0.7
76.55414	0.7
84.36699	0.7
116.52354	0.8
119.20549	0.7
125.09679	1.6
127.11314	0.7
139.11319	0.9
141.12866	2.8
171.10248	36.1
183.10260	2.5
185.11736	0.8
263.20123	5.2
275.20126	8.8
293.21222	33.5
301.31796	0.7
311.22293	100.0
312.22672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2222
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.52122	2.0
58.00597	16.4
59.01380	15.2
61.45897	2.3
76.64446	2.1
92.64548	2.5
102.11607	2.8
108.17973	2.5
109.06564	3.1
114.56062	2.5
127.07623	3.6
146.97083	2.4
160.77811	3.1
171.97366	2.5
183.13811	34.2
201.11446	4.2
211.04688	2.4
213.14946	10.3
221.66393	2.3
226.00813	2.8
241.14587	3.0
293.21204	5.4
311.18475	4.9
311.22284	100.0
311.71140	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	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03443	0.5
59.01377	100.0
71.01375	7.4
73.02942	2.5
83.01381	0.9
83.05021	2.0
83.53366	0.5
85.02938	4.1
89.02432	2.3
91.53437	0.5
99.00843	0.7
101.02427	8.0
102.22854	0.5
113.02434	3.5
116.06326	0.4
138.90622	0.5
140.38164	0.5
159.02959	0.6
161.04536	6.8
214.97766	0.5
228.16261	0.5
251.11349	17.0
311.11203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
66.61123	0.4
67.58869	0.4
71.01370	2.1
73.02950	0.9
78.60162	0.4
82.23491	0.4
82.79608	0.5
85.02908	0.9
101.02439	1.2
113.02439	0.6
114.36642	0.5
135.04453	0.6
142.41957	0.5
160.54193	0.5
161.04475	0.9
170.65767	0.5
177.05579	0.5
186.67839	0.5
251.11238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.73032	3.3
55.44335	3.7
59.01379	8.6
60.67162	3.6
62.46717	3.9
71.05019	9.3
73.69650	3.6
74.02820	3.4
121.10220	19.5
125.09712	4.3
144.34891	3.8
146.48375	4.3
171.10243	28.1
185.11810	10.2
201.63086	4.5
247.20737	4.3
251.16478	41.8
291.19632	100.0
292.19540	4.1
309.20715	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.098
Annotation	Vicianose
Peak:m/z	Relative Intensity
55.01892	1.2
57.03453	3.2
58.00595	1.1
59.01384	89.0
68.33379	0.5
69.03452	4.1
69.32376	0.6
71.01379	45.5
71.31488	0.5
72.99306	4.0
73.02940	12.2
75.00864	7.2
78.95900	0.8
82.66851	0.6
83.01383	3.5
85.02951	12.7
87.00861	4.3
89.02434	69.2
95.01378	2.7
99.00874	3.6
101.02429	27.9
103.04025	1.1
113.02434	15.0
119.03489	15.4
126.98879	1.4
129.01952	2.8
131.03522	7.4
131.04424	1.1
133.01398	0.7
136.15898	0.6
143.03532	0.9
149.04547	4.9
161.04494	1.4
179.05550	1.2
181.07137	4.6
191.05539	3.9
206.95435	3.0
208.16599	0.7
311.09830	100.0
312.10083	0.7
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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.98600	0.9
57.03440	1.9
57.09864	0.9
58.20961	0.8
58.77251	0.8
59.01351	1.2
59.26290	0.9
62.73092	1.0
63.75716	0.9
97.06557	2.2
149.85956	1.1
151.03998	1.7
151.07645	2.0
152.08391	1.5
209.15463	2.5
213.84676	1.1
247.20653	27.7
265.21686	1.3
268.90256	1.1
273.18561	8.2
291.16611	2.1
291.19632	29.2
309.17227	6.1
309.20682	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	309.2067
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03453	1.5
58.82114	0.7
59.01379	3.9
61.80079	0.9
64.19280	0.9
64.33688	0.7
67.01900	3.5
78.89053	0.8
83.04991	1.1
93.03448	1.6
93.86632	0.9
95.05022	1.1
97.06581	1.2
111.08128	6.9
121.10210	8.2
125.09708	6.2
137.09709	12.3
156.16090	1.1
171.10246	25.5
177.12819	1.9
185.11852	7.6
195.13921	6.5
197.11807	3.7
211.13387	40.5
273.18661	1.1
285.09549	0.9
291.19666	100.0
292.19812	1.4
309.20547	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
59.83286	0.6
69.03465	0.7
70.30540	0.7
76.92660	0.6
95.01384	5.3
99.00870	10.9
102.53381	0.6
111.00864	1.6
111.08145	1.4
112.48372	0.7
119.08672	2.9
123.00870	3.1
137.06078	2.9
137.09680	3.8
151.04005	48.6
151.07629	59.2
152.08417	76.7
153.09177	2.8
162.10541	0.8
167.07191	1.1
171.10243	12.1
175.07639	4.0
179.07149	1.5
180.07942	1.1
180.84769	0.7
184.07401	16.3
185.11911	1.5
189.04549	0.7
190.09935	5.5
193.08667	9.3
193.12279	0.8
195.13889	1.0
197.11818	4.3
207.10313	0.8
208.11000	9.4
209.15468	84.0
209.75304	0.7
210.15894	1.2
240.09949	0.8
247.16920	5.2
252.10008	18.0
265.18045	22.6
273.18643	1.3
291.16122	7.6
291.19708	5.9
309.17126	100.0
309.20703	11.5
310.17453	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	309.207
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
56.48820	1.7
57.53270	2.3
58.00600	2.3
59.01377	3.5
60.41652	1.7
64.33624	2.6
69.03445	8.5
99.17465	2.1
113.97577	1.9
116.55394	2.2
119.08653	31.9
121.10179	3.2
125.09682	8.5
127.11261	2.7
137.09721	29.8
151.03923	2.5
152.08427	8.3
152.62660	2.4
155.10735	4.7
167.10796	3.9
171.10255	100.0
183.10239	9.5
185.11830	23.4
201.11333	3.4
209.15453	8.3
213.11449	6.9
265.18082	2.8
273.18555	12.6
291.19617	33.6
309.17368	6.1
309.20712	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.47940	1.4
57.03434	2.2
59.01383	9.5
69.03464	7.3
83.04994	2.1
94.39220	1.5
101.06126	1.8
108.05759	1.6
111.08145	3.8
119.08640	19.8
123.96155	1.8
124.64977	1.8
125.09711	7.5
127.11263	3.4
135.08153	3.3
137.09726	28.6
150.89850	1.7
151.03979	10.1
151.07634	12.5
151.11279	2.9
152.08444	14.4
153.09224	1.9
155.10709	4.1
162.10490	8.4
165.05637	2.5
167.10733	8.6
171.10245	100.0
175.07666	2.4
180.07977	2.4
183.10277	6.1
183.13925	7.9
184.69150	1.9
185.11803	26.0
190.10031	2.8
193.08730	6.9
197.11809	12.8
201.11281	3.1
204.16983	1.7
208.10974	2.3
209.15498	20.4
213.11346	7.9
219.17531	6.8
237.71959	1.9
265.18011	7.5
273.18576	10.3
281.17606	2.2
291.19595	37.4
308.98395	1.9
309.17020	38.6
309.20703	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
57.03451	0.8
59.01375	100.0
59.37701	0.9
60.68059	0.8
65.91576	0.8
71.01372	25.1
72.99306	1.3
73.02942	1.9
75.00873	1.9
78.95886	17.5
83.01384	1.5
85.02943	22.3
87.00891	1.0
89.02428	26.6
92.10795	1.2
95.01361	3.2
96.96944	24.0
101.02422	17.1
101.06060	1.0
111.04527	1.3
113.02441	9.1
117.01906	3.5
119.03472	10.3
129.05547	14.7
137.10445	0.8
147.06624	5.5
159.02945	1.0
161.04524	4.2
168.32654	0.9
179.05562	3.6
221.29062	1.0
249.09753	3.7
308.97659	1.1
309.11902	53.7
324.13837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15555	0.5
52.99995	0.6
55.65500	0.5
59.01376	0.7
62.01563	0.5
63.73920	0.5
64.21471	0.5
65.37152	0.5
69.46695	0.4
79.95724	11.7
87.01725	0.5
95.95213	3.1
96.95992	100.0
122.97560	3.5
151.03952	0.9
151.07591	0.7
152.08385	1.3
190.09811	0.7
209.15332	2.0
212.63190	0.6
257.33105	0.7
309.17410	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.75883	3.7
54.41895	4.5
55.59799	4.9
62.47052	4.3
63.27934	4.7
77.64342	7.0
81.03445	5.4
83.05038	29.7
84.02161	19.2
99.08121	8.2
111.78571	4.8
121.12807	5.3
125.09719	10.2
137.09700	57.7
139.11247	7.2
145.36246	4.9
151.07658	11.8
152.08443	9.0
155.10800	43.7
171.10301	64.7
180.04243	11.8
193.12311	24.1
209.15483	20.7
252.21231	5.2
263.20114	6.8
265.21777	5.0
291.19632	100.0
302.38251	5.3
309.17404	14.2
309.20544	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52364	0.6
55.01880	1.0
57.03439	0.9
58.00589	0.9
59.01379	60.8
68.71163	0.8
71.01379	26.4
71.01749	1.3
72.99312	1.2
73.02956	0.8
83.01396	3.4
85.02951	8.0
87.00861	0.8
89.02431	26.2
89.57311	0.7
91.07799	0.8
92.10073	1.4
95.01379	1.3
99.08147	31.4
101.02424	15.8
113.02439	8.8
119.03479	7.7
127.07654	5.0
129.09218	1.8
141.09204	3.2
145.08698	73.8
156.15112	0.9
160.70906	0.8
187.09720	1.0
275.27155	0.7
307.13977	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.1
59.01366	21.1
77.27525	4.8
80.94313	5.6
81.03472	5.4
83.01372	6.8
83.05010	5.7
83.24229	5.4
95.05048	5.2
97.02929	6.6
97.06551	21.1
100.14290	5.0
101.26856	5.2
123.04481	12.5
123.08125	7.3
125.09686	26.8
135.04543	76.8
137.09718	13.3
163.11241	21.0
179.03459	51.9
185.11813	25.2
191.10713	7.8
191.14369	13.5
206.52408	5.7
207.10268	10.1
209.11864	65.7
225.11206	10.6
233.15511	6.8
245.19012	36.6
289.18112	100.0
307.19180	27.9
321.11624	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	308.9779
Annotation	D-Ribose 1,5-bisphosphate
Peak:m/z	Relative Intensity
59.01383	9.9
65.43668	0.3
65.62701	0.4
71.01375	6.2
73.02925	2.5
78.95890	64.1
85.02938	2.4
87.00846	0.8
89.02431	5.1
96.96015	18.1
96.96941	100.0
98.95573	11.5
98.96301	0.9
99.00856	4.1
99.92571	0.4
101.02430	3.3
112.98727	0.5
113.02451	0.8
116.92855	8.6
117.01910	2.9
119.03508	1.4
129.01892	0.8
129.91682	0.4
134.91556	0.8
136.93935	0.4
138.97977	2.4
152.91751	2.5
158.92516	6.0
167.69814	0.4
174.02400	0.4
176.93585	4.2
179.05553	1.9
192.98978	1.9
194.92755	1.6
194.94446	0.4
211.00093	5.8
241.06061	0.4
308.97839	10.0
309.08240	1.7
309.11685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67587	0.2
59.01376	3.0
67.38575	0.2
69.31515	0.2
71.01373	1.6
73.02934	61.3
75.00840	1.4
77.84043	0.2
82.07579	0.3
82.83894	0.2
84.37640	0.2
85.02941	0.5
87.00854	0.5
89.02414	1.0
92.10753	0.3
96.96928	0.4
98.67756	0.2
99.00861	7.9
101.02449	0.4
112.98811	1.0
113.02425	0.5
116.92831	2.2
117.01912	100.0
118.02208	0.4
125.08651	0.3
131.03458	0.6
142.07990	0.3
170.65555	0.2
191.05585	1.0
193.70590	0.2
237.06181	0.4
254.35753	0.2
264.85162	0.3
267.03339	0.2
309.11801	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	304.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	67.8
62.08780	0.6
102.15013	0.5
105.43459	0.5
108.18972	0.6
112.63177	0.7
168.13919	100.0
169.14293	0.7
170.67947	0.7
199.35718	0.6
212.12860	3.8
304.09732	0.8
304.19144	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36144	0.4
55.12493	0.3
59.01374	45.8
62.03146	0.4
67.71572	0.4
78.59614	0.4
79.95723	1.9
88.70798	0.4
92.10191	1.0
96.95992	100.0
97.06527	0.5
99.60767	0.5
103.19267	0.4
103.67863	0.4
105.34298	0.4
111.94527	0.5
135.08139	1.0
140.87375	0.5
147.08110	2.0
165.09225	0.6
182.12033	0.5
225.11328	25.3
250.95636	0.5
259.20724	0.5
272.19672	0.5
305.07004	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.31400	6.2
59.01374	99.9
61.98831	8.7
71.05006	70.9
90.37824	7.9
95.04999	15.6
105.50647	6.7
109.06605	13.8
121.06538	10.5
141.01685	28.9
145.55432	9.9
145.70636	9.0
165.09126	8.3
173.47893	7.4
249.14793	12.9
268.90842	8.7
287.16525	100.0
305.17499	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9974
Annotation	(R)-Mevalonate 3,5-bisphosphate
Peak:m/z	Relative Intensity
52.80156	0.2
58.38077	0.2
61.74928	0.2
66.50433	0.2
68.99565	0.8
70.94467	0.2
71.01386	0.3
76.56303	0.2
78.95871	1.5
79.45667	0.2
79.95734	1.3
88.44903	0.2
92.10773	0.4
96.95994	100.0
98.14261	0.2
112.98709	0.3
115.00296	0.3
133.01431	0.4
142.99867	0.4
171.79454	0.2
173.00877	0.3
180.19862	0.2
195.81068	0.2
220.31035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30707	0.3
57.03445	16.3
59.58332	0.3
63.02394	0.4
65.00328	1.6
81.03474	0.7
83.01382	3.5
87.70099	0.4
95.04996	0.5
105.03439	0.5
107.01368	3.0
109.02946	39.5
113.07426	0.4
121.02917	1.8
123.04498	4.4
123.96793	0.3
125.02428	100.0
126.02770	0.5
133.02942	36.9
134.03319	0.4
134.60860	0.4
149.02444	6.9
151.00346	7.7
167.03488	5.3
175.03987	0.5
177.01926	14.6
193.01402	19.4
199.04004	0.6
217.05177	0.5
230.77641	0.4
237.39783	0.5
238.05457	0.4
285.03976	2.0
303.05008	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	304.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41859	0.4
59.01377	33.5
59.01674	1.2
60.01717	3.4
61.01831	0.4
61.98825	100.0
93.05670	0.5
115.02518	0.9
116.02567	0.5
117.00430	0.9
118.00562	1.0
119.00169	2.2
127.27812	0.5
129.24738	0.5
134.97040	4.0
143.83304	0.6
151.53807	0.5
159.01495	3.7
160.01605	10.4
161.01158	11.1
161.98941	16.7
162.01541	2.7
162.96495	3.7
176.97916	0.8
202.02664	2.4
203.02278	2.5
203.41812	0.5
203.99985	2.8
204.02573	0.8
235.65565	0.5
294.90213	0.6
304.00000	10.6
304.02762	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	303.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26204	0.4
57.03444	20.6
59.01369	1.0
59.32327	0.5
59.92559	0.5
63.02400	0.8
65.00317	4.4
66.82800	0.5
67.01418	0.5
71.01376	0.8
81.03445	2.2
83.01377	10.6
93.03410	0.7
107.01395	4.4
108.02172	1.0
109.02972	4.8
111.00896	2.2
111.94608	0.5
121.02949	2.3
122.03695	0.9
123.04523	8.7
124.01628	4.6
125.02421	100.0
137.02408	2.2
139.04002	2.7
139.59117	0.6
139.75565	0.6
142.99802	2.4
143.04993	0.7
146.03717	1.1
147.04521	3.0
147.43001	0.5
149.02420	6.6
150.03233	8.7
151.00359	14.2
151.03990	10.7
152.01138	8.1
153.01936	9.9
157.02881	0.6
160.05272	0.7
161.02386	0.7
161.06032	1.2
165.05507	1.2
171.04449	3.0
174.03210	3.5
175.03975	18.2
177.01924	14.1
178.99860	7.9
181.01398	2.5
188.04771	2.3
189.05536	4.2
193.05019	3.0
199.03966	9.1
201.01895	3.7
213.05554	1.4
216.04259	2.6
217.05066	9.1
235.06013	0.6
241.05089	6.3
257.04340	0.9
259.06155	4.6
275.05661	5.4
285.04044	52.5
286.04562	0.8
303.05096	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	303.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63240	0.4
57.03457	20.3
59.36403	0.4
60.22252	0.4
62.90861	0.4
63.02411	1.9
65.00326	5.7
71.16036	0.5
81.03439	1.0
83.01381	9.4
83.55872	0.5
92.10139	0.6
93.03440	1.1
107.01398	3.9
108.02171	0.9
109.02938	4.1
121.02942	3.1
122.03724	0.7
123.04499	9.4
124.01653	3.5
125.02420	100.0
126.02750	0.5
133.02931	0.6
137.02423	1.8
139.03986	3.3
143.04985	0.8
145.02953	0.9
147.04503	3.0
149.02443	6.9
150.03204	8.4
151.00369	13.6
151.03986	9.3
152.01125	8.8
153.01927	11.5
159.04489	0.6
161.02469	0.7
161.06039	1.1
165.05511	0.9
171.04446	1.2
172.05176	0.7
173.02466	0.8
173.06071	0.9
174.03185	5.1
175.03983	19.4
175.05502	0.8
177.01913	15.3
178.99866	9.0
181.01413	1.0
185.06047	0.6
187.07663	0.8
188.04764	2.4
189.05560	5.8
191.07141	0.7
193.05043	3.0
197.05946	0.7
199.04004	9.8
201.01869	3.2
213.05565	2.0
215.03474	0.6
216.04185	1.0
217.05057	10.5
231.06628	0.9
241.05063	6.2
257.04608	1.1
259.06107	3.9
275.05698	5.7
285.04028	50.5
286.04459	0.7
303.05130	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	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49294	0.4
59.01381	0.9
86.66364	0.4
87.53049	0.4
151.00357	0.7
165.12842	3.2
183.13884	100.0
184.14194	1.0
209.11862	2.1
218.98079	0.4
227.12956	4.0
240.04404	0.6
301.03369	0.5
301.16498	9.4
324.00424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61791	0.1
51.84587	0.1
52.00811	0.1
52.92659	0.1
53.65928	0.1
55.36937	0.1
57.78981	0.1
59.01372	1.2
64.07404	0.1
71.01346	0.2
89.02456	0.8
91.04012	0.8
111.08163	0.9
142.01598	0.2
151.00337	0.3
165.12859	2.2
183.13881	100.0
184.14116	1.1
190.06287	0.4
197.35692	0.2
209.11754	1.5
227.12866	3.9
285.03983	0.8
301.16553	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	301.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
71.41528	0.2
76.44835	0.2
89.02489	0.2
91.03992	0.5
165.12810	3.0
170.83763	0.2
183.13881	100.0
184.14212	0.5
209.11800	1.5
218.05814	0.5
227.12898	3.9
233.08080	0.3
241.87537	0.2
265.10736	0.3
276.07135	0.3
279.11169	0.2
301.16568	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	303.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24914	0.1
71.01368	0.3
78.95890	4.3
79.95728	1.6
90.86916	0.1
96.95992	100.0
96.96883	7.1
99.00831	0.1
100.33420	0.1
128.33591	0.1
142.99850	1.9
163.72417	0.1
173.00894	0.9
259.43259	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	301.1444
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
51.63244	0.4
59.01367	0.6
68.00645	0.4
71.01363	4.2
78.95918	0.4
89.93530	0.4
97.02931	7.4
106.06645	0.4
109.02925	0.4
110.84193	0.4
135.04521	6.8
152.58401	0.4
159.04449	2.0
165.01906	1.5
172.05290	13.9
173.06052	4.2
174.03091	0.6
175.03972	0.8
183.08041	0.6
185.06093	3.4
186.06750	0.5
187.04012	1.0
187.07701	3.5
189.05479	0.5
196.05304	1.0
199.03978	2.0
200.04785	56.7
200.08376	4.8
201.05533	3.0
201.09215	6.4
203.07153	1.0
211.07626	3.9
212.08365	0.6
213.05569	4.2
214.06314	1.7
215.07172	0.8
215.10753	1.0
216.07899	3.7
224.05002	0.6
225.09140	2.3
228.07899	10.9
229.08678	100.0
230.09033	0.9
239.07071	0.5
243.06755	0.6
243.10223	2.1
245.11813	1.6
253.08673	0.7
257.11865	2.2
272.10541	12.8
272.13287	0.8
301.14459	50.8
302.14902	0.7
316.93878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81746	0.4
55.50627	0.4
59.01390	0.7
64.33483	0.4
68.04128	0.4
71.01373	5.1
97.02926	3.9
101.98162	0.4
111.08167	0.5
119.09534	0.4
142.32773	0.4
146.03806	0.6
147.04439	0.6
159.04497	1.0
172.05302	14.4
173.06104	3.0
175.04016	1.0
175.07550	0.4
185.06113	3.9
186.06908	1.8
187.03955	0.8
187.07669	3.5
189.05730	0.5
196.05193	1.6
199.03944	2.0
200.04782	62.5
200.08273	4.1
201.05438	3.2
201.09225	8.3
202.06352	0.5
203.07166	0.8
204.07787	0.5
211.07620	4.0
213.05600	4.8
214.06412	1.0
215.07162	0.9
215.10791	0.9
216.07928	3.3
217.12527	0.5
221.19084	2.8
225.09203	2.7
228.07893	10.9
229.08684	100.0
230.09158	1.8
239.07155	0.7
243.10289	1.9
245.11824	2.1
257.11774	2.3
265.18137	1.0
272.10486	13.0
283.19107	1.9
301.14462	52.1
301.19675	7.2
302.14789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0927
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
68.00999	0.2
70.04913	0.2
83.94495	0.2
84.99043	0.2
85.32787	0.2
90.48286	0.2
93.03444	7.5
96.96000	1.3
106.15582	0.2
121.02936	10.3
123.00845	3.7
129.70944	0.3
137.02452	0.3
138.03229	1.5
139.03999	100.0
140.04349	0.5
152.40379	0.2
165.01933	0.4
185.47957	0.2
196.97668	0.3
266.04718	0.2
296.91199	0.2
301.09222	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	301.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.69213	0.6
68.35966	0.7
85.02939	1.1
92.10828	2.7
93.03491	1.0
98.67905	0.8
114.99349	0.7
118.06625	3.8
122.77261	0.7
130.02962	3.5
131.03786	0.9
139.03992	0.9
147.03275	1.6
148.04024	1.0
151.00401	0.8
159.57494	0.8
160.04012	15.5
161.04811	100.0
161.57236	0.8
162.05605	17.8
164.03499	4.1
174.01918	5.3
175.02768	7.7
176.03502	1.3
177.01909	1.0
191.05621	11.5
192.02998	12.0
193.03790	68.0
194.04431	1.0
200.77699	0.8
206.04570	1.2
221.04402	0.8
229.95068	0.8
239.48312	0.7
240.10426	1.2
250.03581	1.5
271.10892	20.8
283.10873	71.2
284.11209	1.3
301.03769	1.2
301.11890	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38278	0.2
63.17407	0.2
69.03423	0.7
70.43739	0.3
77.03942	2.3
78.16205	0.2
83.01389	1.4
93.03445	2.8
95.01385	0.4
97.02939	5.1
99.72023	0.3
100.04333	0.2
100.68590	0.3
102.04270	0.3
107.01383	0.4
109.02940	1.2
121.02931	7.1
123.00835	0.4
123.91537	0.3
137.02426	33.3
151.00337	0.4
165.01907	100.0
273.44363	0.3
301.03531	4.0
315.43613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0927
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
69.61645	0.2
74.23532	0.2
76.67567	0.2
92.10854	0.4
93.03443	7.4
96.96000	1.2
121.02937	11.0
123.00866	0.9
138.03198	0.5
139.03999	100.0
140.04341	0.2
160.65717	0.2
165.01958	0.3
184.97713	0.3
189.91039	0.2
301.09326	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	299.2588
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.04817	0.5
55.98718	0.4
58.39736	0.5
59.01374	100.0
62.67154	0.6
67.02049	0.5
67.18584	0.6
77.23775	0.5
100.99392	0.5
116.92854	1.3
155.61681	0.6
185.31071	0.8
208.96616	0.6
232.53091	0.6
299.25885	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37421	2.3
59.01386	5.0
71.01376	4.5
72.33177	2.6
78.95889	100.0
86.89576	3.0
96.95990	71.0
96.96918	24.2
99.05602	2.6
116.98673	4.2
140.98666	3.5
141.01938	3.0
143.00229	12.3
154.15489	2.5
158.99725	14.2
166.78934	3.2
170.96053	13.8
196.97656	12.4
198.31720	2.9
201.02702	2.8
201.08742	3.1
210.99268	4.6
212.97232	4.7
213.00682	2.9
215.88687	3.4
286.34976	3.3
300.98727	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95066	0.5
57.30502	0.5
62.47447	0.7
63.02388	12.8
65.00313	20.8
83.01374	14.3
93.03448	5.9
95.01356	0.8
107.01379	35.8
107.02070	1.4
109.02951	3.7
111.08160	0.9
119.05036	1.1
121.02937	29.4
125.02444	1.0
139.04025	2.6
142.01706	0.7
145.02910	0.9
149.02405	6.2
151.00354	86.8
152.00838	0.8
159.04521	1.2
161.02426	1.5
163.00356	0.9
164.01138	2.8
164.95638	0.7
169.01382	7.0
174.83562	0.8
175.04019	0.8
178.99849	23.2
183.04459	0.8
185.06079	0.7
187.04028	1.5
192.00601	0.8
193.22169	0.7
211.03960	1.1
227.03503	3.2
229.05003	3.1
230.02263	0.8
235.85127	0.7
245.04544	1.7
255.00632	0.7
255.02928	7.8
257.04550	3.8
273.04111	5.0
283.02505	5.8
284.03354	3.5
285.03940	3.1
299.01617	0.8
301.03528	100.0
323.67859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
50.19017	0.3
54.81949	0.3
55.24035	0.3
59.01368	2.2
69.28618	0.3
71.01368	0.5
75.00857	0.6
93.03438	81.0
93.16480	0.4
107.05032	1.4
121.02952	4.5
137.02428	100.0
142.16177	0.4
149.02481	0.6
151.03990	8.6
179.03474	5.3
209.04553	0.4
239.05763	0.4
288.33356	0.4
323.80579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.26558	0.6
50.92694	0.6
59.01382	52.8
60.89681	0.6
69.80090	0.7
71.01375	21.4
71.01744	1.0
72.99318	0.9
85.02954	5.1
86.03950	0.6
88.38071	0.7
88.66637	0.8
89.02440	22.4
93.03434	16.7
95.01362	1.4
101.02426	10.8
108.02152	1.0
113.02433	6.2
119.03462	8.2
136.01642	6.2
136.05305	1.0
136.67783	0.8
137.02426	100.0
151.04002	2.9
160.45477	0.8
165.82716	0.9
179.03470	17.0
209.04527	1.1
230.26482	0.8
239.05597	7.6
299.07687	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19204	0.6
57.56315	0.6
59.01376	48.8
71.01375	20.3
72.39604	0.7
83.01405	1.2
85.02949	4.8
89.02428	18.0
91.77800	0.6
92.10079	0.6
93.03442	15.6
95.01399	1.3
101.02432	9.5
101.39336	0.7
113.02428	6.5
119.03449	6.2
121.02949	0.8
135.04497	1.1
136.01657	6.5
136.05255	1.3
137.02426	100.0
151.03955	3.2
179.03474	18.0
209.04559	0.9
239.05504	9.1
299.07718	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1187
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01887	0.7
57.03454	0.7
59.01382	100.0
68.01122	0.6
71.01381	13.6
71.35664	0.5
73.02954	3.0
78.66831	0.6
83.01366	2.0
85.02960	6.4
87.00849	0.7
89.02440	10.9
92.10206	0.6
99.00843	0.8
101.02433	13.0
113.02422	5.4
119.03482	4.6
122.26739	0.6
135.06631	3.5
139.03072	0.6
161.04532	6.6
167.05791	0.6
179.05582	2.3
181.81502	0.7
237.09767	16.9
297.11804	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	297.2433
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01395	1.0
59.08169	0.4
64.32953	0.5
90.41512	0.5
99.46593	0.5
109.31852	0.5
121.05202	0.5
141.12878	2.2
155.09587	0.8
155.10760	15.5
183.01134	1.7
252.68565	0.5
272.97525	0.6
279.23264	18.9
297.15222	3.2
297.24341	100.0
298.24808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2431
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.02437	0.2
70.45744	0.2
92.10134	0.6
101.99150	0.3
141.23470	0.3
145.11205	0.3
179.56219	0.3
183.01259	0.3
216.31236	0.3
251.23730	2.2
274.76306	0.3
279.23428	0.6
295.22772	1.7
297.15195	1.5
297.24347	100.0
298.24570	0.7
309.65945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0193
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01374	3.3
63.02390	7.0
64.05883	0.7
65.00316	4.8
81.42784	0.8
83.01376	1.8
90.16219	0.8
92.10768	1.4
107.01386	4.4
109.02931	6.8
129.03474	0.9
131.05026	1.0
133.02940	10.9
143.05016	5.6
145.02956	1.2
147.00853	0.9
151.00346	3.4
157.02919	4.0
159.02882	0.8
159.04477	1.0
161.02544	1.0
171.04518	9.5
173.02396	3.1
175.03979	6.3
182.03760	1.0
183.04428	1.7
185.02315	0.9
187.04021	5.9
197.02328	1.6
198.03229	3.6
199.04012	20.1
199.89178	0.9
201.01888	7.1
203.03514	3.0
214.02748	1.2
215.03484	10.2
217.00211	1.4
226.02669	4.0
226.44632	0.8
227.03491	8.8
242.02238	3.8
243.02991	7.6
271.02463	100.0
282.01547	0.8
299.01956	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01384	3.5
59.31187	0.6
61.98835	0.7
65.26750	0.7
66.45496	0.7
75.39083	0.8
76.07645	0.7
92.10136	1.6
98.95586	1.5
114.80359	0.9
136.59311	0.8
179.14410	1.2
183.13791	5.7
195.12117	0.9
195.13873	23.1
253.05791	0.8
258.22736	0.8
258.83502	0.7
277.21722	24.1
277.24783	1.2
295.22772	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	295.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
59.01375	4.8
63.11373	0.9
64.02905	1.0
71.01353	0.9
89.20697	1.0
90.30597	0.9
92.10769	1.2
95.33204	0.9
97.11938	1.2
98.95568	1.6
123.82941	1.0
155.14386	5.9
171.10257	24.9
178.05626	1.2
183.10210	2.1
251.23830	2.4
257.33414	1.3
269.98425	1.1
277.21686	34.7
295.22772	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.18316	0.3
54.81514	0.3
59.01373	0.5
60.79495	0.3
62.11814	0.3
65.31136	0.3
92.63843	0.3
97.06538	0.3
98.73177	0.3
99.04499	0.3
104.11362	0.4
111.50005	0.4
112.29012	0.3
143.60190	0.3
155.93358	0.4
265.21747	2.1
277.21689	5.5
293.21277	1.2
295.22769	100.0
296.23093	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	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.50606	0.5
57.03431	0.8
59.01380	1.6
61.20980	0.6
62.72833	0.8
66.08353	0.6
112.03605	0.7
125.09715	1.3
133.12114	0.7
141.12843	1.3
155.10797	0.9
171.10249	34.5
183.10278	6.6
277.21713	50.7
295.22775	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	295.2278
Annotation	13(R)-HODE
Peak:m/z	Relative Intensity
51.70647	0.4
52.32575	0.4
53.80470	0.4
57.03445	0.5
59.01376	2.4
61.62421	0.4
61.98839	0.5
62.18575	0.4
64.89014	0.4
67.78227	0.4
71.96395	0.3
82.27673	0.4
97.06614	0.5
104.26864	0.4
113.09715	2.9
119.68504	0.4
135.82098	0.4
171.10318	0.7
174.25438	0.4
177.12820	0.6
179.14381	2.4
179.96194	0.4
181.12384	0.7
195.13901	20.7
198.50060	0.4
232.49168	0.5
259.20956	0.6
275.72757	0.4
277.21722	26.2
294.74716	0.4
295.22778	100.0
296.23111	0.9
305.27365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1183
Annotation	Amotin
Peak:m/z	Relative Intensity
50.42537	1.1
57.03442	18.1
59.01358	2.4
69.03453	5.4
71.05023	2.7
73.80289	1.2
80.02689	1.5
83.04995	10.5
85.02926	7.7
87.00855	1.6
93.03433	7.6
95.05003	42.6
97.02935	2.6
98.03720	2.5
107.05002	1.9
109.02934	5.8
109.06566	5.3
111.04516	27.6
111.08154	7.0
113.06072	35.8
115.04001	6.2
119.04984	1.9
120.05809	1.5
121.06575	12.3
123.08134	8.2
124.05322	2.5
132.05763	7.9
133.06590	19.3
135.08067	1.6
137.06061	11.2
137.09700	7.6
137.23665	1.3
138.06831	2.3
139.07553	9.2
141.09143	1.4
147.08122	2.6
149.05919	1.4
149.09695	15.5
151.07671	2.5
161.06071	64.9
161.09656	1.5
161.64828	1.4
163.11264	6.1
165.09187	10.3
171.11790	11.0
173.09639	2.4
174.10516	1.5
189.12834	100.0
205.05037	2.9
207.13860	11.5
233.11786	1.8
234.25926	1.4
251.12871	97.1
295.08258	11.3
295.11789	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80085	0.3
54.54165	0.3
54.81099	0.3
59.01375	100.0
68.93779	0.3
71.01366	0.7
73.02945	0.5
81.71555	0.3
85.02956	0.5
101.02440	0.7
113.02419	0.5
117.70882	0.3
118.27262	0.3
161.04564	0.4
235.11913	2.7
288.02182	0.4
297.17099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94899	0.8
53.51870	0.8
57.03448	1.3
59.01378	5.5
67.55718	1.0
67.74961	0.8
71.05023	6.7
136.09036	1.1
192.11606	1.3
193.15984	1.3
205.12375	1.4
209.15384	1.3
220.14699	7.7
221.15450	13.5
223.16975	4.9
231.21075	1.7
235.17007	43.9
235.19290	2.2
236.10562	7.3
237.18658	1.3
275.20148	45.1
293.21219	100.0
294.21252	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03434	1.2
59.01374	50.1
60.99303	0.8
66.74145	0.8
68.99580	5.7
69.03445	1.4
71.01372	45.1
71.05000	0.8
73.02933	10.0
75.00845	1.3
78.95898	1.3
83.01369	1.5
85.02946	8.7
87.00858	18.1
87.04508	7.4
88.98806	10.3
89.02428	35.9
96.96003	4.0
97.02914	0.8
99.00842	0.8
101.02425	24.3
112.98531	6.4
113.02431	8.5
113.61066	0.9
114.46573	0.8
115.03978	3.2
119.03498	5.9
121.52193	0.8
131.03481	3.3
133.05048	100.0
161.04497	3.5
163.06076	1.5
179.05513	0.9
181.07161	88.1
229.56390	0.8
295.10477	6.3
295.13339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03434	0.7
59.01377	22.1
69.03442	0.5
71.01369	22.6
71.01743	1.0
72.99297	0.6
73.02940	10.2
83.01384	1.2
85.02927	4.5
87.00793	0.5
87.04509	2.8
89.02426	22.8
89.02947	0.9
91.04028	0.5
95.01446	0.5
97.02955	1.0
101.02425	22.4
113.02450	3.1
115.04000	2.0
119.03483	2.6
131.03490	3.1
132.59062	0.5
154.37105	0.4
161.04510	0.5
163.06110	3.1
181.07166	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44642	0.5
57.03455	0.9
75.39882	0.5
76.00703	0.5
81.40211	0.5
86.35980	0.6
97.06587	1.1
104.87003	0.5
125.09668	4.2
141.12828	1.4
149.09703	2.9
149.20482	0.6
185.11830	9.9
197.11816	2.7
220.14690	0.8
221.15501	2.6
225.81425	0.6
235.89981	0.6
249.22374	0.7
293.21228	100.0
294.21436	0.7
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
61.98811	2.2
76.89687	2.3
81.13193	2.3
85.14357	2.0
96.79982	2.3
96.95993	60.1
109.46149	2.7
125.09687	2.8
134.31880	2.5
185.11794	11.2
220.14717	24.1
221.15434	39.5
236.10504	20.3
253.69600	2.7
293.17868	37.7
293.21207	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	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18383	0.3
55.13993	0.3
57.03444	6.1
59.01377	3.5
71.01375	0.5
78.07808	0.3
85.43039	0.3
87.13726	0.4
92.10064	0.8
96.96025	0.4
97.06570	1.6
103.89002	0.4
113.09711	20.3
121.10170	2.8
121.58433	0.4
123.96156	0.3
139.11292	2.8
149.09787	0.9
151.82013	0.4
161.62590	0.5
167.10762	2.2
171.10245	8.5
177.12804	0.9
179.10745	1.6
185.11752	0.8
185.91701	0.4
192.11528	0.6
195.13850	3.8
207.16801	0.4
220.14694	2.7
221.15422	6.1
231.21129	0.7
236.10526	2.7
242.11890	0.4
249.22206	2.2
262.43921	0.4
275.20160	11.8
293.21222	100.0
294.21494	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22400	0.5
55.65737	0.5
59.01372	4.0
62.42410	0.5
64.63250	0.5
71.01407	0.8
92.10906	1.1
143.88896	0.6
149.59392	0.6
155.59149	0.5
209.15482	1.4
216.87993	0.6
218.16875	0.6
220.14677	3.1
221.15433	5.4
231.21223	2.5
234.10190	0.6
236.10510	1.2
249.18584	1.3
263.20142	21.0
265.21631	1.1
275.20157	45.7
293.21222	100.0
294.21390	0.8
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
58.23520	1.1
60.28112	1.1
69.09042	1.1
71.01363	1.1
73.79451	1.1
111.24724	1.1
121.10210	28.5
171.10243	51.1
185.11731	2.0
200.81828	1.5
231.21127	5.5
271.58881	1.2
275.20142	100.0
293.21170	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12954	0.7
59.01369	1.1
60.47750	0.7
64.33504	0.7
64.51057	0.7
67.41668	0.7
108.10342	0.8
132.38011	0.9
148.72372	0.9
164.10471	0.8
179.14330	0.9
181.52536	0.9
195.13837	15.2
196.14713	0.9
205.12387	1.2
221.15311	0.9
223.13408	11.9
227.07655	0.9
231.21228	0.9
256.13309	5.8
275.20157	10.4
293.21213	100.0
294.21518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82392	1.0
57.03445	2.5
59.01365	1.7
61.28215	1.1
65.65027	1.4
68.57998	1.1
69.75423	1.2
70.60274	1.2
71.01383	2.1
72.46547	1.1
79.15784	1.4
109.03629	1.3
113.09738	12.4
121.02906	1.2
137.09715	1.6
138.43834	1.4
139.03502	1.4
139.41051	1.2
139.55103	1.2
167.10762	2.0
177.09016	1.9
183.13872	18.5
193.15984	1.3
195.13908	9.4
205.12215	2.1
211.13242	4.3
220.14764	9.1
221.15424	17.7
223.13414	5.4
236.10461	9.8
249.22052	1.4
265.21860	1.5
273.10144	1.5
275.20197	9.3
293.18066	4.0
293.21213	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	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80380	0.7
58.00583	1.6
59.01376	67.5
61.51144	0.8
65.77943	0.9
68.49545	0.8
71.01372	24.8
72.99324	1.2
78.20704	0.9
81.31388	0.9
83.01400	1.1
85.01881	0.9
85.02932	7.0
85.06580	24.1
87.00854	1.1
89.02425	26.3
92.10839	1.2
92.64223	1.1
95.01347	1.5
101.02421	16.0
113.02426	10.3
113.06081	6.2
115.07654	1.0
119.03478	10.1
125.58683	1.0
127.07627	4.2
131.07118	73.8
142.29106	1.0
173.08192	1.8
188.57903	1.2
293.12433	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	293.179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17805	0.4
56.45335	0.4
59.94526	0.4
64.12841	0.4
79.95737	2.0
95.95210	0.5
96.95990	100.0
113.51772	0.4
152.01430	0.6
170.73195	0.5
193.15956	0.7
205.12196	0.5
220.14638	2.9
221.15465	6.7
236.10512	2.2
293.17935	62.6
294.17999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60574	0.3
53.66157	0.3
54.17685	0.3
57.03456	1.5
59.01375	8.0
60.99310	0.9
67.01880	4.6
69.03460	2.0
71.01357	5.8
73.02947	2.9
73.40246	0.4
78.31686	0.3
81.03458	1.6
85.02940	11.3
87.00863	9.8
89.02444	1.7
93.03441	27.1
99.00874	0.8
99.04538	0.6
101.02438	1.6
109.02908	0.5
111.04498	4.2
112.98717	0.8
113.02437	3.0
126.58919	0.4
127.04006	1.8
129.01932	1.6
131.03503	2.0
155.03418	0.9
171.02997	1.5
173.04535	11.2
179.40973	0.4
191.05606	100.0
192.06076	0.6
204.84055	0.4
214.29649	0.4
233.06667	4.6
260.04065	0.6
293.08777	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	291.1962
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.59939	0.3
54.81789	0.4
58.74257	0.3
58.75453	0.3
63.22031	0.3
64.46626	0.4
67.15288	0.3
74.01867	0.4
80.02679	0.5
81.09289	0.4
91.51347	0.4
108.45055	0.4
116.81896	0.4
125.06063	0.5
148.08907	2.1
150.10515	0.5
162.62408	0.4
163.11267	1.7
165.12827	22.8
176.12006	0.6
217.15981	0.4
245.93466	0.4
247.20622	14.5
247.89676	0.4
273.18570	7.3
291.19635	100.0
292.20023	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	293.064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41782	0.3
75.00852	0.3
75.94485	0.3
78.95890	100.0
92.10110	0.5
95.91649	0.3
97.28152	0.3
103.03790	0.4
110.98520	74.5
143.44461	0.3
162.15221	0.3
205.28650	0.3
214.88353	0.8
256.89478	0.6
274.90463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45247	0.3
57.03436	0.5
59.01376	5.3
60.99307	1.4
67.01891	3.9
69.03452	2.0
71.01379	2.4
73.02916	0.5
78.95883	11.1
81.99794	0.4
83.05028	0.8
85.02936	9.4
85.03407	0.5
85.81204	0.3
87.00854	9.9
92.10223	0.5
92.16515	0.4
93.03439	27.7
94.03813	0.5
99.04460	0.4
101.02435	0.4
104.08936	0.3
109.02934	0.7
110.98524	6.2
111.04518	4.6
113.02427	0.6
116.19438	0.4
127.03999	2.3
129.01933	0.5
139.41229	0.3
155.03471	0.7
171.02985	0.5
173.04524	10.1
191.05598	100.0
233.06622	4.4
267.40930	0.4
293.08838	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	289.0717
Annotation	Epicatechin
Peak:m/z	Relative Intensity
50.62132	1.6
50.68788	1.3
55.54541	1.5
57.03446	8.3
62.06406	1.6
67.01001	1.5
70.95245	1.4
80.02674	1.6
81.03461	8.0
83.01397	12.2
90.71768	1.7
93.03432	3.8
95.05023	11.9
97.02937	22.7
108.02178	2.6
109.02943	75.9
114.71682	1.7
121.02930	11.9
121.84993	1.7
122.03740	6.7
123.03644	2.4
123.04508	57.2
125.02422	40.2
135.04549	6.4
137.02431	28.2
138.03246	3.1
139.03990	10.9
145.02937	7.1
147.04547	2.4
149.02444	11.6
151.04004	22.6
153.86514	1.7
155.44048	1.7
158.98952	1.7
159.04477	8.4
160.05290	3.8
161.06093	15.9
162.03180	3.2
164.01138	10.1
165.01886	8.6
167.03487	2.0
173.05957	3.5
175.03999	7.3
175.07602	7.1
179.03470	13.7
187.03870	12.3
188.04761	9.9
188.43687	1.7
201.05632	2.6
202.06277	2.9
203.07173	29.5
205.05064	19.1
221.08170	10.0
227.07054	3.0
230.05598	2.2
245.08148	37.4
263.82339	1.6
269.46103	2.0
289.03940	3.4
289.07169	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	290.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98822	100.0
74.74729	0.2
96.55728	0.2
97.32991	0.2
154.64069	0.2
183.13870	1.3
211.03537	0.3
227.12810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81389	0.4
54.81401	0.4
57.03447	2.0
73.68990	0.5
93.07095	0.9
97.06586	2.2
110.56209	0.5
112.43935	0.5
115.55422	0.4
121.10217	22.8
123.08162	1.8
125.09701	9.3
127.57097	0.5
133.59134	0.5
141.12778	0.8
147.08145	1.1
185.11812	17.0
197.11838	3.8
209.11771	2.0
211.13402	2.8
219.17450	0.6
247.20628	0.8
250.44450	0.5
273.18689	1.1
291.19644	100.0
292.19949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01709	0.1
68.43632	0.2
71.01404	0.2
78.95888	3.1
79.95740	1.4
80.68267	0.2
85.02955	0.2
96.95988	100.0
96.96880	6.9
97.21439	0.2
107.92410	0.2
111.00854	1.2
142.99829	1.9
157.67181	0.2
158.13013	0.2
173.00874	1.3
191.01926	1.0
213.83151	0.2
221.19743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33735	0.2
52.98765	0.2
55.01861	0.2
57.03439	0.3
59.01362	1.2
63.32769	0.2
67.01915	0.2
67.87363	0.2
69.65347	0.2
71.01369	5.0
71.82567	0.2
73.02940	0.2
78.95889	48.3
80.99825	0.2
81.03397	0.2
83.01372	0.2
85.02935	5.7
87.00852	2.0
88.87384	0.2
93.03403	1.8
93.78897	0.2
96.96024	16.8
96.96942	100.0
99.00845	2.5
109.02945	0.3
111.04485	0.8
112.98782	1.8
113.15399	0.2
115.00369	0.2
124.98766	1.8
127.03988	1.5
127.63793	0.2
139.28743	0.2
140.98222	0.3
142.99850	27.5
171.02986	0.2
173.00887	16.6
173.04570	0.4
191.05600	54.1
192.05959	0.3
210.31573	0.2
270.98627	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	289.033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
59.01380	1.7
67.01888	0.2
69.03444	0.2
71.01383	0.9
73.02926	0.4
73.32249	0.1
78.95899	5.3
79.95772	0.2
81.03466	0.2
83.05033	0.3
85.02950	10.1
87.00867	2.5
93.03442	3.4
95.01342	0.1
95.48172	0.1
96.96010	23.6
96.96965	9.2
99.00861	0.1
99.04519	0.7
109.02955	0.8
111.04516	1.6
127.03989	2.9
129.01929	0.2
137.02429	0.1
138.98082	0.1
143.03476	0.1
146.19034	0.1
155.28055	0.1
158.36610	0.1
171.02997	0.7
173.04523	1.2
191.05605	100.0
192.05940	0.8
199.00052	0.6
289.03305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0327
Annotation	alpha-D-Sedoheptulopyranose 7-phosphate
Peak:m/z	Relative Intensity
57.03455	0.2
59.01374	1.9
66.97305	0.2
67.01894	0.4
71.01370	4.2
73.02958	0.4
78.95890	32.3
81.03497	0.2
83.05017	0.4
85.02937	12.0
87.00861	3.1
87.01347	0.3
93.03434	3.1
96.96004	43.8
96.96952	64.4
99.00883	1.3
99.04515	0.3
109.02938	0.9
111.04521	1.3
112.98787	1.0
124.98790	1.9
127.03956	2.6
129.01892	0.3
138.97963	0.3
140.98253	0.4
142.99850	18.0
171.02992	0.5
173.00897	11.1
173.04556	1.2
191.05602	100.0
192.05905	1.2
221.53809	0.2
239.51338	0.2
270.98563	0.9
289.03143	0.3
297.69800	0.3
297.75388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0715
Annotation	Epicatechin
Peak:m/z	Relative Intensity
54.13582	0.9
57.03221	0.9
57.03444	9.3
57.48444	0.8
69.03464	5.4
80.02685	1.0
81.03452	9.6
83.01393	9.7
93.03439	7.3
95.01384	1.3
95.05001	11.5
96.96010	2.0
97.02938	18.7
99.04527	1.3
100.41054	1.0
107.04980	1.3
108.02199	1.8
109.02942	69.8
121.02946	10.7
122.03728	2.3
123.04508	61.9
125.02420	42.6
135.04477	7.7
137.02451	22.8
138.03214	4.0
139.04030	10.3
145.02948	4.7
147.04492	1.5
149.02414	11.5
150.03210	3.7
151.03995	24.1
154.02664	1.1
159.04507	9.1
160.05275	4.7
161.02455	3.8
161.06087	14.3
161.07266	1.6
162.03201	2.4
163.03992	2.3
164.01158	8.9
165.01913	8.4
167.03459	2.4
173.06029	2.5
175.04004	2.2
175.07617	6.0
177.05557	2.0
179.03496	12.6
185.06027	1.6
187.04033	11.2
188.04762	7.0
191.05646	1.9
201.05426	1.2
202.06364	4.8
203.07153	30.0
205.05075	14.4
212.04810	1.1
221.08183	8.9
227.07140	1.9
245.08179	34.8
247.06073	2.3
271.06143	1.6
289.07169	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	287.09
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24830	4.6
54.31494	5.5
69.03477	6.9
74.02475	11.0
78.95918	8.4
83.01389	10.0
87.00883	13.4
96.95990	91.8
100.00416	12.0
108.04549	27.2
123.04387	5.8
125.02423	100.0
127.00363	27.5
134.42261	5.8
135.04500	7.5
137.56706	6.7
154.19096	6.8
179.04659	33.0
181.06233	8.0
189.00424	32.0
197.04681	5.9
198.36472	5.9
209.05760	9.3
223.03549	9.4
225.03285	9.7
269.02405	52.8
287.03381	23.9
287.09100	21.2
292.70877	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	287.1651
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
57.19611	0.8
64.64807	1.1
65.76008	0.8
121.02948	13.7
125.02431	1.1
149.02423	28.0
150.48155	0.9
164.04802	4.9
196.03745	23.3
203.07077	3.9
211.15550	1.1
248.01607	1.0
287.16501	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	287.2225
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
51.43042	0.3
53.30777	0.3
57.63509	0.4
59.01394	0.6
61.98849	0.7
65.81295	0.4
77.31954	0.4
77.74368	0.4
94.33637	0.4
99.08121	0.4
113.09713	1.0
125.09781	0.4
127.11243	2.1
135.04523	0.7
141.12869	0.9
143.10831	0.4
157.12343	0.6
162.46776	0.4
163.11272	0.4
206.73579	0.4
223.20935	0.5
239.20164	1.5
241.21698	1.7
269.21274	3.7
273.69693	0.5
285.20703	2.7
287.22275	100.0
288.22754	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	287.2227
Annotation	3,16-dihydroxypalmitic acid
Peak:m/z	Relative Intensity
52.68948	1.2
52.90184	1.2
59.01378	100.0
61.98833	2.5
63.91229	1.2
64.33286	1.4
111.60513	1.4
120.42912	1.4
135.04480	7.2
155.14365	2.5
227.20181	12.7
235.28183	1.5
249.33295	1.6
271.67200	1.7
275.55887	1.7
287.05032	2.0
287.22278	56.5
290.92441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2068
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.27444	0.5
52.42590	0.4
54.98973	0.4
57.03439	0.8
57.94575	0.4
59.01378	5.6
61.98830	0.4
69.95119	0.5
70.62668	0.4
78.95885	1.1
83.05016	0.4
99.79861	0.4
100.91895	0.4
104.07050	0.5
133.02948	2.9
139.40733	0.4
149.26218	0.5
151.00304	0.6
160.97717	0.6
174.99214	2.6
202.98718	5.0
203.02365	0.5
217.00237	0.7
221.18970	0.9
223.20659	85.9
224.21056	0.5
241.21632	2.0
247.17403	0.4
267.19632	46.0
285.04099	5.4
285.20697	100.0
286.21005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	45.6
61.80400	0.6
67.98435	0.6
73.36786	0.8
74.50059	0.7
74.59805	0.6
74.99377	1.0
78.35313	0.8
101.00956	0.9
115.02480	3.6
117.00430	100.0
143.01929	0.9
144.99922	66.7
159.01474	55.0
167.83908	0.7
174.99446	3.7
184.40237	0.8
185.10162	0.7
187.00960	26.6
197.03091	0.8
198.99503	1.3
201.02571	1.0
202.99020	0.9
205.72261	0.8
206.05362	0.8
217.00529	9.0
241.00577	2.9
245.00000	3.6
259.01587	26.2
260.01663	0.9
287.01096	47.2
288.01251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0558
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
50.97245	0.1
57.03450	0.2
57.21755	0.1
63.02391	3.1
63.47276	0.1
64.32912	0.2
65.00317	11.9
66.44099	0.1
76.24178	0.2
77.51261	0.2
81.94597	0.2
83.01378	5.0
91.49091	0.2
107.01381	16.2
107.05034	0.9
108.99296	0.2
109.02943	2.4
117.03509	0.2
123.32931	0.2
125.02416	2.6
133.02924	0.2
134.03761	2.1
135.04506	100.0
136.04878	0.7
137.02458	0.2
151.00359	56.2
161.02431	1.0
165.01904	0.4
169.01463	0.7
177.01971	0.2
183.04564	0.2
203.05458	0.2
238.42754	0.2
269.04492	0.2
287.05606	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78327	0.4
63.02396	2.8
65.00320	10.5
66.34346	0.4
83.01377	5.5
91.65981	0.4
97.17838	0.5
107.01375	18.0
109.02950	2.3
125.02441	2.8
134.03738	2.4
135.04506	100.0
151.00360	54.0
161.02435	0.6
169.01401	0.7
177.02022	0.6
253.02751	0.5
287.05603	11.1
294.87561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0395
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.81535	0.6
63.02377	0.7
65.00326	3.2
69.39942	0.5
83.01392	1.0
105.03443	0.8
107.01388	7.0
121.02953	0.6
132.02153	0.8
133.02948	41.5
135.04495	0.6
143.05048	0.8
149.02458	5.0
151.00368	12.1
175.03984	6.0
187.04019	0.6
189.05566	0.8
198.03291	1.2
199.03975	5.3
201.01888	1.1
213.05641	0.6
214.02684	0.6
217.05086	2.8
222.26242	0.5
241.05067	1.0
243.03008	1.1
257.04623	0.6
267.03101	0.7
283.23044	0.6
285.04037	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	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.27643	1.0
59.01371	2.2
60.53203	0.7
61.31358	0.9
65.00328	3.7
73.57542	0.8
83.01399	1.5
107.01393	6.2
133.02925	36.1
149.02426	4.7
151.00331	10.2
175.03969	7.2
199.04015	3.8
202.98685	1.1
217.05000	2.3
241.04965	1.3
285.04028	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	285.0401
Annotation	Cyanidin
Peak:m/z	Relative Intensity
63.02380	1.3
65.00315	3.8
72.94929	0.2
81.03475	0.2
83.01369	1.9
85.32185	0.2
93.03426	0.2
95.71925	0.2
104.77972	0.2
105.03444	0.9
107.01379	7.1
107.02072	0.4
121.02940	1.8
122.54448	0.2
132.02162	0.9
133.02934	38.9
135.04488	0.2
142.19075	0.2
143.04982	0.4
147.04488	0.4
149.02428	4.8
151.00348	11.2
155.04968	0.2
157.06531	0.2
169.06477	0.3
171.04478	1.0
175.03967	6.6
185.06053	0.4
189.05457	0.7
197.06058	0.3
198.03242	1.1
199.04005	5.2
201.01907	2.1
211.04114	0.6
213.05592	0.7
214.02718	0.2
215.03479	0.9
217.05037	2.8
223.04037	0.3
226.02660	0.2
229.04930	0.4
239.03490	0.4
241.05054	1.9
243.03008	1.4
257.04559	1.0
267.02936	0.7
285.04028	100.0
286.04376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04728	0.3
59.01376	0.9
60.99302	18.1
72.02121	0.3
73.75892	0.3
75.00860	0.4
78.95891	0.8
88.98788	100.0
89.99078	0.4
96.96941	1.5
98.95576	1.6
98.97369	0.5
101.02406	0.4
164.89542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.9526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43478	0.4
57.45538	0.3
59.01377	3.8
70.67762	0.4
71.01371	0.3
72.60316	0.3
72.99294	2.7
78.95436	0.9
78.95885	16.7
79.95737	0.8
80.39365	0.4
88.98792	2.2
90.99217	0.7
92.10771	0.8
96.95988	100.0
96.96905	17.1
142.72285	0.4
166.97467	0.7
184.98541	18.1
188.09137	0.4
223.08237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55661	0.5
52.17273	0.5
53.91743	0.5
63.02404	1.6
65.00317	3.5
70.63661	0.6
83.01373	1.2
96.81152	0.7
105.03566	0.7
107.01378	5.7
107.04962	0.7
121.02968	1.4
133.02934	33.2
137.19215	0.7
149.02444	3.1
151.00334	7.7
171.63432	0.7
175.03998	6.0
196.50989	0.6
198.03174	1.0
199.03949	5.5
201.01929	3.0
217.05014	2.7
222.12363	0.6
232.16891	0.7
241.05032	0.7
243.02869	0.7
257.04568	0.8
285.04019	100.0
286.04312	1.6
300.07208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42593	0.5
57.03452	0.7
59.01374	4.7
60.99313	2.5
61.21367	0.6
67.01882	4.6
69.03447	0.8
71.01389	3.2
73.02950	0.6
78.95895	19.6
79.95715	0.8
81.03454	1.0
83.05007	0.8
83.91303	0.6
85.02945	8.9
87.00867	17.3
89.91807	0.5
93.03441	35.8
96.95998	100.0
96.96953	36.9
98.95583	1.0
99.00863	1.3
99.04535	0.9
105.01936	1.2
106.14647	0.5
109.57522	0.6
111.00862	1.1
111.04523	7.7
112.98781	3.7
127.04009	0.9
129.01907	2.3
142.99826	0.8
155.03474	0.8
156.20749	0.5
168.58400	0.6
171.02893	0.7
173.04529	21.2
191.05606	98.1
233.06651	11.8
279.07269	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	279.1083
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
52.45732	0.7
54.44856	0.8
55.01876	2.0
57.03452	0.9
58.00595	2.2
59.01374	100.0
69.03441	1.1
71.00978	1.7
71.01370	49.7
72.99300	2.3
73.02904	1.0
75.00883	3.7
76.64826	1.0
78.95893	8.2
79.95724	0.9
83.01398	1.5
85.02937	12.9
87.00882	1.1
87.04512	3.8
89.02428	49.2
93.03445	1.1
95.01355	3.9
96.95993	45.2
96.96929	19.1
99.04507	1.5
101.02422	26.2
107.06063	0.8
110.82433	0.8
113.02445	15.5
117.05579	6.8
119.03484	17.9
131.03491	2.3
143.03496	1.7
161.04504	1.4
165.03999	5.1
179.05553	2.0
191.05507	3.8
279.05750	1.0
279.10864	33.4
279.23331	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	276.9367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36937	0.5
51.84515	0.5
52.83405	0.5
54.81644	0.5
60.76833	0.6
61.07560	0.6
70.53875	0.5
78.95898	82.0
80.94300	0.5
96.96014	5.5
96.96949	11.7
100.19296	0.6
136.93987	3.1
136.94960	1.2
154.96924	0.6
178.96150	5.6
196.92574	3.0
198.90536	100.0
214.93658	16.5
216.90700	26.9
231.77744	0.8
234.91673	6.9
240.91592	26.4
256.05869	0.6
258.92639	54.0
269.58823	0.6
276.37112	0.6
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	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
64.46690	1.3
74.40049	1.2
76.56231	1.4
89.04506	1.4
98.37960	1.3
108.33821	1.5
111.00873	1.5
128.97485	1.4
208.64362	1.4
233.02388	1.5
247.10776	1.7
277.21695	100.0
283.97177	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	279.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50900	0.1
52.46775	0.1
62.96416	0.1
68.18634	0.1
69.56239	0.1
78.95899	49.4
96.96950	100.0
112.91056	0.1
114.87968	0.1
126.51152	0.1
140.32317	0.1
152.68149	0.1
222.31609	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	271.082
Annotation	Arbutin
Peak:m/z	Relative Intensity
51.05052	0.2
55.01880	0.4
56.60858	0.2
56.83417	0.2
59.01366	0.5
61.11908	0.2
64.11150	0.2
71.01373	4.8
73.02939	1.4
78.95885	7.1
83.01390	0.6
83.06692	0.3
85.02950	3.4
85.91402	0.3
87.00871	1.8
88.98801	0.5
89.02452	0.4
95.01347	0.7
96.95990	8.6
96.96943	10.6
101.02436	2.3
108.02164	100.0
109.02948	8.2
113.02452	1.4
113.12101	0.2
121.02958	0.5
123.04484	1.2
133.02969	1.1
135.04498	0.4
140.03026	0.3
142.99876	2.5
151.03984	2.2
161.04541	2.8
163.03943	1.4
164.88853	0.3
173.00876	1.2
173.04498	0.5
271.08185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21979	97.4
57.53965	96.1
65.85548	93.7
68.36034	96.3
71.01953	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	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.81760	0.5
57.65234	0.5
58.37998	0.6
58.40160	0.5
59.01376	100.0
62.44246	0.5
67.29197	0.5
68.66341	0.6
96.80731	0.5
135.36356	0.7
249.74725	0.6
257.80518	0.7
271.22772	51.4
272.23410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.98283	0.2
62.23242	0.2
63.00244	0.2
74.41077	0.2
91.55766	0.3
119.51826	0.3
137.16931	0.3
140.62730	0.3
217.78922	0.3
224.63525	0.3
225.22226	6.6
253.21730	1.8
266.14648	0.2
269.21246	1.1
271.22769	100.0
272.23050	1.5
281.97525	0.2
290.77026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02988	1.4
83.66666	1.0
84.04534	100.0
94.02957	8.5
128.03517	38.2
147.04507	14.6
160.07642	1.7
161.06076	1.8
162.97990	0.9
163.40092	0.9
186.09241	10.5
214.08841	1.1
232.09767	68.4
233.10245	1.1
246.65453	0.9
255.78265	0.9
258.07526	3.4
258.84717	0.9
276.08737	63.6
294.97580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13099	1.0
54.80928	1.1
57.03448	6.2
71.05021	2.7
72.02171	5.5
74.46513	1.1
78.16206	1.2
83.76162	1.1
84.46769	1.2
85.00619	1.3
85.02940	1.8
87.04504	100.0
99.04512	9.3
117.34708	1.5
143.11032	1.4
181.12115	1.3
189.16476	2.2
195.87891	1.4
207.17523	8.3
210.11960	1.2
254.91299	1.4
269.04465	2.2
269.17563	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	Pinobanksin
Peak:m/z	Relative Intensity
57.30379	0.8
63.02390	12.5
65.00319	23.6
83.01379	13.3
84.67908	1.0
88.98778	1.1
92.10183	1.9
93.03445	13.3
94.35270	1.2
94.47513	1.0
107.01382	34.1
119.05008	100.0
125.02384	1.7
134.96654	1.0
145.02882	1.0
151.00356	64.1
163.03935	1.2
165.01901	4.4
169.01369	4.5
177.02000	7.9
177.05557	50.5
187.04005	2.1
191.03471	16.9
206.05692	1.8
220.07388	24.0
222.13286	1.0
235.09743	22.9
253.05099	1.0
271.06104	82.3
278.53247	1.0
289.08731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50183	0.2
59.01380	2.7
60.00438	0.2
60.38138	0.2
61.98824	100.0
62.13292	0.2
63.27168	0.2
87.00864	0.3
103.04018	0.2
121.27590	0.2
135.03116	0.3
138.02486	0.2
142.99855	0.5
152.21635	0.2
173.00903	0.2
250.07199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1291
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.91971	1.4
51.70589	1.5
59.01384	2.5
62.96427	1.5
74.24335	1.5
83.32989	1.6
120.04588	2.7
123.79146	1.5
145.66711	1.8
151.60753	1.7
164.45169	1.8
171.56567	1.9
225.10361	2.3
241.13290	3.9
241.64189	2.1
247.15074	1.8
253.09865	3.2
254.10344	3.4
269.04581	4.1
269.12943	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	263.2012
Annotation	KDC 165
Peak:m/z	Relative Intensity
54.81656	2.8
65.11496	2.6
70.48824	2.6
73.29545	3.0
93.73708	3.1
147.08112	2.8
230.67697	3.1
263.20114	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	265.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57159	1.1
57.03458	3.1
57.37504	1.1
59.01377	100.0
61.01470	1.2
62.60272	1.6
69.12560	1.3
71.01372	39.4
71.01749	2.0
72.99297	13.0
73.02942	16.7
75.00862	1.3
78.95903	9.6
80.16895	1.3
83.01382	1.8
85.02940	20.6
89.02433	34.9
89.83688	1.4
95.01450	1.6
96.95962	12.5
99.00851	7.1
99.97677	1.4
101.02422	16.2
103.04009	32.3
111.00851	1.4
112.98788	18.1
113.02432	13.0
115.03973	1.5
119.03455	12.2
120.99653	2.4
137.70381	1.8
142.99800	1.5
145.01367	1.5
165.07219	1.9
173.00876	6.1
178.79836	1.4
238.35834	1.4
265.09311	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97184	0.5
62.42320	0.5
103.05525	0.7
146.03738	0.9
147.04485	0.8
158.03731	1.2
159.04506	12.3
160.05284	0.8
161.02432	3.8
173.06036	3.0
174.03201	1.3
174.06787	2.8
175.03984	100.0
176.04317	0.7
177.05540	8.5
187.03897	1.0
189.01933	4.2
189.05574	12.3
190.02695	3.7
201.05588	3.6
203.03508	44.0
204.04152	2.7
205.15944	1.0
217.05191	0.6
218.05827	76.7
219.06583	5.3
220.07457	1.1
221.04529	1.3
233.08173	59.2
235.09737	1.0
250.08492	0.8
265.10834	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	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39262	0.3
54.15714	0.3
59.01370	0.6
75.25993	0.4
79.92642	0.4
79.95746	2.4
93.04845	0.3
95.95203	0.6
96.95995	100.0
107.73767	0.4
121.60804	0.4
203.40286	0.4
265.14774	62.8
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	Hydroprene
Peak:m/z	Relative Intensity
54.81459	1.5
59.01385	1.8
63.72741	1.4
69.32102	1.2
89.52029	1.4
90.89550	1.6
92.10182	8.8
92.10820	4.6
96.95988	3.7
117.43060	1.5
152.14705	1.7
197.12579	1.5
261.01337	1.4
265.14590	2.1
265.21701	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	266.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46094	2.1
53.92686	2.6
54.81669	2.7
59.00135	2.2
59.01377	7.3
59.18971	2.7
60.45318	2.6
61.03451	2.5
81.55989	2.6
84.00899	100.0
96.96006	7.2
104.60077	3.0
152.48047	3.3
181.07159	25.9
222.46098	3.1
266.15152	4.1
270.52167	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	266.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98869	11.8
84.00900	100.0
116.92834	9.8
124.30684	9.3
181.07074	16.8
248.39970	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	267.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28773	0.4
59.01383	2.1
75.75387	0.4
78.95891	53.9
96.96946	100.0
135.04510	0.4
137.55215	0.5
173.43063	0.4
191.05659	0.6
196.61670	0.5
215.52231	0.4
267.06458	0.9
281.84872	0.6
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	Tichocarpol A
Peak:m/z	Relative Intensity
55.19709	0.7
59.01391	0.9
69.48563	0.7
72.99295	20.3
72.99664	1.4
75.00884	5.1
78.95885	1.5
79.95721	11.0
80.96494	0.9
81.03444	3.9
87.00877	3.8
93.03432	31.5
93.04020	1.2
96.96003	1.3
105.77898	0.9
106.80645	1.1
107.05039	4.1
111.04506	1.1
119.04995	68.0
133.88466	0.8
134.03703	1.4
135.04494	41.5
137.06075	1.3
163.01906	1.0
163.03998	49.9
181.05046	100.0
191.05585	1.1
199.00694	16.5
215.00192	6.8
261.00726	87.4
262.01071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81970	0.2
57.19011	0.2
59.01374	100.0
62.27986	0.3
94.08234	0.2
119.85072	0.3
140.58232	0.2
198.34468	0.3
273.11966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22730	0.5
53.91409	0.5
59.01377	100.0
66.53101	0.6
66.55933	0.6
67.86441	0.5
75.40796	0.6
75.44965	0.6
85.59144	0.5
122.91355	0.7
148.40903	0.6
167.92204	0.6
190.77115	0.6
194.65807	0.6
250.41754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1286
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.01870	2.5
57.03447	3.4
59.01382	22.6
59.51701	1.9
66.21641	2.2
67.44965	2.2
71.01379	3.7
71.04982	2.3
73.99997	2.0
83.05037	3.7
97.02956	15.4
108.05795	3.6
109.02942	5.0
109.06576	2.8
111.04494	8.7
111.08184	2.7
113.06059	8.7
119.08633	10.4
120.05763	2.5
121.06596	3.9
122.03714	26.7
123.08147	4.7
125.06042	27.4
136.05319	24.8
137.06075	14.1
138.06856	24.4
139.07622	45.1
148.05278	14.7
149.06056	3.9
150.11784	2.5
151.07629	87.1
152.04774	5.9
152.08421	40.1
153.09172	9.8
159.11774	4.4
161.09714	9.1
163.07632	18.4
167.07181	3.4
175.11324	2.6
185.09653	3.1
186.10580	4.0
189.09163	14.4
201.12846	45.4
203.10786	54.7
204.11549	95.2
219.13885	100.0
235.46289	2.8
239.09021	2.5
262.24503	2.4
263.12836	9.8
264.29370	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.217
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
55.33275	6.8
58.41357	7.5
59.01383	100.0
59.50688	7.4
76.62655	7.5
79.91712	7.5
86.03663	7.7
89.05299	7.4
90.15714	10.9
91.42062	9.0
95.40554	6.9
193.07074	14.4
204.77696	7.7
231.17247	8.7
253.21655	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19328	0.3
59.01381	1.9
60.01721	0.2
61.05432	0.3
61.98825	100.0
63.15259	0.3
64.66093	0.3
75.52143	0.3
89.80333	0.3
92.10818	0.3
142.83272	0.3
142.99866	0.5
173.00945	0.3
192.64243	0.3
214.50233	0.3
221.42731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0817
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
51.26426	1.1
65.42682	1.2
69.91529	1.2
70.05363	1.2
73.87203	1.2
92.10861	3.4
107.25332	1.2
130.61253	1.4
135.95322	1.2
159.04599	1.6
162.27406	1.3
172.05290	23.2
183.04469	6.0
187.07628	100.0
191.05609	2.6
199.04002	11.0
200.04755	2.7
204.04221	2.2
211.07631	2.3
213.09207	10.9
214.06418	2.1
215.07144	12.3
227.03455	9.3
228.04268	8.6
229.08693	6.5
257.08151	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86240	0.3
59.01374	0.3
66.50747	0.3
70.04859	0.2
77.62930	0.2
78.14614	0.3
78.95891	81.0
96.96946	100.0
99.08325	0.3
101.02420	0.4
138.98013	5.8
150.97968	0.3
168.99060	2.5
169.00333	0.3
198.90559	0.5
199.00168	2.5
214.93692	0.6
233.65561	0.3
234.27611	0.3
240.91608	0.4
241.01080	0.7
258.92514	0.6
259.02222	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	259.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23262	0.4
55.75429	0.3
57.03448	4.2
58.70500	0.4
59.01368	1.7
61.41663	0.4
71.01366	0.7
78.95892	78.8
95.05021	3.7
96.96947	100.0
98.00045	0.5
99.04508	5.8
101.02427	2.3
111.04539	0.5
138.97993	5.0
139.03975	0.5
161.04533	8.6
168.99039	2.6
199.00107	1.6
223.00182	0.6
242.40257	0.4
246.48640	0.5
259.02228	9.3
262.85867	0.4
265.02148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.023
Annotation	Sulfotyrosine
Peak:m/z	Relative Intensity
50.64514	0.7
53.78199	0.7
57.97556	1.3
58.99600	100.0
61.23833	0.7
61.60873	0.8
74.00677	1.4
78.95877	1.3
81.58771	0.8
84.04583	0.8
86.02479	1.1
90.35615	0.8
96.96032	1.1
96.96978	1.5
102.98582	13.3
110.02463	1.8
112.04031	51.9
116.01769	1.3
144.01239	96.1
163.59349	0.8
172.04404	4.4
216.03331	14.8
222.19899	0.9
244.25542	1.1
260.02313	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10778	1.2
58.65805	1.2
59.11411	0.9
63.94092	1.1
70.22248	1.0
86.45879	1.3
87.00861	95.9
91.05514	92.9
117.07063	1.9
118.13001	1.3
119.05002	1.5
135.04536	8.4
143.04991	2.9
145.06580	13.0
163.03989	100.0
175.82178	1.3
180.29909	1.2
189.05505	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	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99062	2.1
55.01881	12.1
57.03447	5.6
59.01375	100.0
60.47253	2.5
60.71877	2.7
64.33504	2.7
69.70755	2.5
71.01366	76.2
72.99302	5.0
73.02930	19.9
80.93060	2.4
80.96494	3.7
83.01389	19.4
85.02927	41.2
87.00869	4.1
87.04492	2.7
89.02428	11.6
90.46455	2.6
95.01392	3.5
99.00873	6.1
101.02422	53.9
104.30611	3.0
113.02441	23.1
115.00365	3.1
125.16792	2.7
161.04514	26.3
251.11378	18.7
267.11142	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	253.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.3
71.29894	1.0
72.99296	42.2
80.59938	1.0
87.00862	4.8
91.05495	16.5
92.10806	4.3
99.00870	2.7
108.74804	1.1
117.07063	10.3
119.05014	6.8
129.07089	38.8
133.06517	1.8
143.05043	1.3
145.06583	27.5
147.08150	1.5
161.06041	6.7
173.06055	100.0
175.32152	1.1
181.11043	1.1
183.46733	1.1
189.05585	19.2
191.07076	11.1
193.07175	5.3
217.05040	20.8
235.06122	89.8
253.05070	4.0
253.07253	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	253.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85885	1.0
52.22971	0.9
53.85262	0.9
56.28480	1.0
56.94841	0.9
59.01086	2.6
59.01376	61.3
60.43800	1.1
69.35781	1.0
70.59594	1.1
71.01369	1.0
72.99294	52.5
86.48760	1.1
87.00865	5.4
91.05521	19.6
99.00858	5.2
108.85422	1.2
117.07083	2.8
119.05042	10.8
129.07086	15.6
133.06624	9.5
143.05014	4.2
145.06581	68.8
147.04518	2.3
161.04622	2.3
161.06013	12.9
162.00569	1.1
163.03963	2.8
173.06055	50.6
176.10396	1.2
189.05560	80.5
191.07103	2.8
193.07155	5.5
207.06615	12.7
217.05020	8.0
235.06102	100.0
236.06117	1.2
253.05092	3.3
253.07199	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	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31417	1.3
52.23228	1.7
54.81734	1.7
59.01384	2.2
102.32339	1.8
111.63623	1.7
127.07640	8.2
167.06804	2.9
181.10828	3.1
181.12332	48.8
201.08905	3.5
203.10504	17.1
217.08492	2.1
219.10078	4.3
221.11522	20.2
223.13159	100.0
223.15346	4.2
233.07974	10.7
235.09464	18.0
237.11137	25.7
241.14186	3.8
249.11060	100.0
249.14931	2.6
265.10562	16.2
267.12115	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1856
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.13064	0.9
54.81429	0.9
59.01126	0.7
59.01384	5.2
83.05029	0.9
106.69593	0.7
112.11257	0.8
123.00945	0.9
125.50295	1.0
202.21127	0.7
205.15971	29.9
205.19579	1.1
231.17497	1.7
240.40558	0.8
249.14931	40.7
249.18576	100.0
250.14505	5.4
250.18761	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.3
59.01372	100.0
65.65205	4.6
71.01373	54.1
72.99313	5.9
73.02954	6.5
73.05278	5.8
75.00880	6.4
75.95919	6.6
78.29035	7.1
78.95908	12.3
80.96504	9.5
85.02927	10.9
87.00871	21.9
89.02428	62.0
92.63342	5.9
97.47182	5.5
99.00881	29.4
101.02442	8.4
102.27515	6.1
103.00346	12.6
111.00855	8.7
112.98811	73.2
120.99641	34.1
144.91661	5.6
145.03159	6.6
147.02971	8.1
152.60953	5.6
154.77196	5.5
163.04411	43.3
165.04034	11.3
224.65053	6.0
230.09444	7.1
230.78258	5.6
251.07602	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1961
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
53.66881	0.3
57.73537	0.3
59.01377	100.0
61.98825	4.8
66.16081	0.4
92.10159	0.6
96.39854	0.3
98.60358	0.4
116.23945	0.3
116.45626	0.3
124.87489	0.3
192.87744	0.3
197.19205	0.5
243.19644	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28377	0.4
57.58755	0.4
61.98830	100.0
64.74441	0.5
68.13397	0.4
89.05692	0.4
90.31680	0.6
99.92565	2.4
114.94902	2.8
116.92831	8.1
118.18764	0.5
132.03928	0.5
158.93895	8.0
226.86147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	14.1
59.01374	7.3
66.47169	1.6
67.01896	2.9
67.05531	10.8
69.03448	79.6
69.03827	3.0
71.01373	11.8
72.11667	1.5
77.83472	1.4
78.95888	18.5
80.02659	2.4
80.48284	1.4
81.03419	2.4
83.05013	40.8
85.02942	74.1
87.00860	73.8
90.81400	1.7
93.03449	27.1
95.01369	21.5
95.05007	34.5
96.02163	11.5
96.72324	1.6
96.96024	2.4
96.96964	16.5
97.02933	32.1
98.00078	3.3
99.00849	3.5
99.92610	2.1
101.92109	1.6
103.92010	3.5
111.00877	9.5
111.04508	67.6
112.01628	16.6
112.98802	2.3
113.02438	95.4
113.06086	34.5
115.92023	2.9
121.02934	7.9
122.70914	1.7
124.01624	7.5
127.03983	3.3
128.96420	3.4
129.05582	8.3
139.04004	100.0
140.01740	3.3
140.71019	1.7
155.03502	23.6
156.96049	1.9
157.01402	70.1
157.05031	8.9
173.04552	15.2
183.02971	57.5
201.04039	14.5
245.03021	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42071	0.4
55.97330	0.4
59.01376	53.3
62.44727	0.5
69.14418	0.4
71.65764	0.5
87.04205	0.5
92.10810	1.0
104.87801	0.5
115.43198	0.4
116.05054	0.4
120.69473	0.5
127.11259	7.9
139.11266	2.0
143.57445	0.5
155.10815	3.6
157.12328	30.9
183.03712	0.5
185.11815	13.1
194.13698	0.5
203.12901	100.0
204.13188	0.6
245.13914	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	247.0642
Annotation	EX-527
Peak:m/z	Relative Intensity
59.89993	0.4
60.27394	0.4
68.86626	0.4
75.05162	0.4
79.95730	0.8
86.15244	0.4
92.10137	1.4
96.95992	100.0
107.86933	0.4
115.11958	0.4
157.07799	0.5
167.10760	0.9
167.96297	0.5
247.06436	93.2
248.06796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
51.88343	0.2
57.03449	3.1
59.01368	2.1
62.29617	0.3
71.01380	1.4
75.00858	0.8
77.87506	0.3
78.95906	3.1
80.25937	0.3
83.01406	0.4
83.57778	0.4
85.02937	1.7
86.89103	0.3
87.00866	100.0
92.10810	0.3
100.80759	0.3
107.92194	0.3
129.01930	10.3
134.85661	0.3
212.49718	0.3
219.05072	0.4
234.98950	0.4
237.06157	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	238.9812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81420	0.5
57.55408	0.5
78.95889	100.0
87.00870	2.1
96.96001	0.6
96.96940	0.9
97.82869	0.4
102.14116	0.5
120.33044	0.5
134.96024	3.3
134.97034	2.7
136.93961	20.9
136.94942	12.8
151.16872	0.7
151.92700	1.8
178.94766	9.8
178.96198	55.1
179.96162	0.6
196.97098	10.3
220.97078	0.8
239.07671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81865	0.8
57.03459	5.9
57.03707	0.7
59.01376	12.0
61.98830	1.0
62.53444	0.8
69.03454	4.7
71.01371	11.1
71.05032	0.9
73.02929	2.0
83.05030	0.8
85.02953	1.2
89.02428	9.5
90.77491	0.9
95.05048	0.7
95.87668	1.0
101.02427	10.3
102.52344	0.9
109.67727	0.8
111.08134	14.0
113.02416	1.3
138.48985	0.8
139.94939	0.9
163.06055	1.3
165.12827	100.0
166.13173	1.9
181.07170	41.3
181.12332	1.6
185.11734	2.0
187.03366	0.9
191.10751	4.5
197.15439	1.3
209.11780	10.5
221.22026	0.9
223.16910	1.2
241.18089	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	242.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09962	1.6
55.01898	9.2
56.74084	1.7
59.69750	1.7
61.98838	2.0
69.03448	2.4
71.01387	4.7
72.01728	2.2
80.56342	2.1
82.02976	17.2
83.01396	3.1
84.04534	2.6
85.06577	17.1
85.70873	2.1
89.02456	2.7
92.10085	1.9
97.02958	2.7
98.02468	3.3
100.04062	8.6
101.02428	2.7
107.03143	1.8
107.05029	29.2
110.06107	7.7
111.03307	2.0
112.04052	18.2
112.07672	100.0
120.01909	1.8
124.04041	8.2
124.07682	14.8
125.06056	3.4
126.09259	5.0
134.06114	2.3
136.07661	19.9
137.06029	1.9
140.07158	37.9
152.07016	2.9
154.08739	3.3
155.07159	3.1
160.99776	2.1
170.08235	11.4
180.06583	2.6
181.07144	8.4
182.07486	18.8
196.06125	25.6
198.07722	43.8
214.07166	8.8
227.66354	2.1
239.68257	2.0
242.06682	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
57.03455	2.9
59.01376	2.9
67.01888	4.8
69.03456	1.0
73.02949	1.3
73.22479	0.7
75.00854	0.9
79.01895	0.9
81.03469	1.0
83.05012	1.3
87.00874	1.1
95.01379	71.1
96.96014	0.9
99.04523	3.1
109.02946	4.0
113.06084	1.0
122.03738	1.1
123.00861	13.9
125.02422	6.1
127.04009	1.6
139.03944	1.1
139.07637	5.1
141.05547	8.4
151.00359	100.0
153.04413	0.8
153.27364	0.9
155.03502	4.7
163.00339	1.3
181.08684	4.8
183.02972	66.1
183.07538	1.0
199.00722	0.9
199.09711	1.1
225.04361	0.9
243.05075	50.3
243.08856	3.2
245.26698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49912	1.6
51.52549	1.5
55.68793	1.7
59.01365	3.2
61.98827	11.7
63.26404	1.6
63.32487	1.5
71.01369	2.0
72.00903	2.3
87.00875	8.9
88.04023	100.0
91.05518	2.1
96.95982	2.6
100.04031	11.0
103.56453	1.8
108.13935	2.4
115.00386	1.8
118.06592	1.8
120.99627	8.3
146.09758	7.7
147.04520	23.6
149.05984	2.5
164.07155	21.3
164.70625	2.0
174.09163	3.6
190.08725	2.3
192.10210	13.4
236.06947	2.6
236.09288	67.0
242.80540	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	235.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22570	0.3
57.36725	0.3
59.01369	0.4
92.10130	0.4
102.57848	0.3
111.00842	0.6
118.04223	0.4
119.05015	2.2
120.54803	0.3
129.03461	1.3
135.04573	0.4
137.02432	0.4
145.02931	2.0
147.04494	3.8
148.01634	0.3
148.33769	0.3
149.02457	0.4
149.06071	1.8
159.04407	0.3
161.02376	0.6
162.03198	1.2
162.15015	0.3
163.03984	6.8
164.04724	0.4
173.02414	3.5
174.03198	1.7
177.05545	100.0
178.05928	1.2
190.02713	0.4
191.03485	36.5
191.07109	1.3
192.07849	2.1
206.05795	2.9
220.07396	35.5
221.07770	0.3
224.32529	0.3
235.09721	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	235.0609
Annotation	Orthosporin
Peak:m/z	Relative Intensity
59.01360	3.9
59.81094	1.8
65.00826	1.7
65.27438	1.6
65.36808	1.6
66.73514	1.9
72.99293	35.3
82.43074	1.8
91.05533	9.5
108.26512	2.0
117.03471	3.3
117.07085	12.5
119.04994	11.8
128.33058	2.3
129.07077	35.1
145.06578	16.3
146.85115	1.8
173.04654	3.5
173.06058	100.0
189.05559	10.9
191.07060	12.1
217.05113	15.8
218.96712	2.3
235.06055	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	235.0974
Annotation	CHEBI:66709
Peak:m/z	Relative Intensity
56.91183	0.5
57.06396	0.5
59.01386	1.0
63.39783	0.6
65.65807	0.6
87.08435	0.6
97.42905	0.6
109.02938	1.4
127.19437	0.6
133.02936	7.3
146.03752	11.6
147.04483	1.4
148.05264	0.9
159.04475	4.4
161.06047	2.7
171.04478	1.5
173.06050	3.6
174.03206	44.8
174.06851	1.1
175.07622	21.2
176.04716	1.0
185.06013	1.4
187.04022	9.0
188.04790	11.0
189.05453	0.8
191.03574	1.0
203.07147	100.0
204.07516	1.3
205.08653	2.4
235.09955	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81688	0.5
55.01880	0.6
59.01387	0.7
60.33464	0.4
66.96893	0.4
76.19537	0.4
80.02676	2.7
81.03451	1.2
83.05009	8.6
84.02145	6.1
85.71148	0.5
87.95360	0.5
88.55767	0.4
89.40153	0.4
95.05003	0.6
115.05983	0.5
125.05992	0.9
125.09698	0.6
135.08191	0.7
156.37885	0.5
163.11267	7.8
165.12819	4.7
168.23299	0.5
181.07153	2.3
181.12268	0.7
191.10779	1.2
209.11826	100.0
210.12238	2.3
214.66550	0.6
227.12888	3.1
227.20113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.89766	0.2
57.03463	0.3
57.69847	0.3
70.34769	0.2
83.05041	0.3
92.10233	0.6
97.10931	0.3
104.99639	0.2
109.95670	0.2
111.08150	1.0
114.37120	0.3
165.12831	16.8
181.12384	0.3
183.13885	100.0
184.14249	2.0
209.11823	1.3
217.67723	0.3
227.12878	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	230.0125
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
51.86289	0.9
54.19994	0.9
63.65874	0.9
70.89820	1.0
73.01172	9.3
76.86848	1.0
80.05042	1.7
82.02977	8.6
83.86263	1.0
96.04535	30.2
98.99110	7.0
108.04539	36.1
114.00175	100.0
129.66318	1.2
132.58626	1.2
142.03307	94.9
186.00632	1.4
186.02295	37.6
230.01273	73.2
249.22099	1.1
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
50.86897	1.1
51.49547	1.0
54.41602	1.1
55.01891	2.7
57.03445	11.4
59.01378	65.7
65.23881	1.1
67.01897	5.4
71.01373	41.6
71.01746	1.9
73.02934	13.3
83.01391	8.6
83.05026	2.2
85.02960	6.8
85.90645	1.3
87.00856	9.6
92.63515	1.1
93.03452	15.1
99.00867	36.9
101.02427	70.3
107.22167	1.2
107.64622	1.3
111.00864	21.5
111.04477	1.5
127.03999	18.1
129.01926	11.0
145.01416	100.0
171.02995	5.3
173.00842	2.1
173.04533	8.2
233.06625	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	233.0817
Annotation	Bhimanone
Peak:m/z	Relative Intensity
55.07476	0.8
59.01374	44.0
67.01880	1.9
71.01360	1.6
93.03440	11.4
129.01949	1.1
147.04543	5.1
149.06075	3.6
150.06174	0.8
159.04485	12.3
161.02419	45.6
161.03783	1.6
161.06018	1.0
169.06616	1.1
171.04500	4.5
172.05284	44.1
172.06766	1.8
173.04509	8.2
173.06030	5.4
174.03224	5.1
175.03981	100.0
176.04730	6.6
177.05547	1.8
185.06061	4.1
186.06874	1.3
187.04039	1.6
187.07623	41.0
189.05609	12.7
197.06023	1.2
200.04796	18.4
203.03473	4.0
204.04227	7.4
204.07813	1.4
205.08691	10.2
208.03793	3.7
215.07132	78.8
231.06700	1.5
232.03757	3.5
233.08186	77.4
233.15431	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	217.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50385	21.0
54.81416	25.4
63.94581	23.3
68.42255	24.1
82.69433	28.1
99.92588	33.8
116.92851	100.0
156.55473	22.5
199.85089	52.7
216.72835	31.2
223.99638	26.4
237.89851	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05858	0.7
54.69513	0.8
55.01892	1.2
57.03460	6.3
57.40349	0.7
69.03445	1.9
71.05013	1.3
72.99291	22.7
79.58875	0.9
90.31891	0.7
95.08663	1.1
99.08139	21.3
109.87662	0.9
111.08147	43.8
113.09712	7.1
123.99612	0.9
127.07625	5.0
129.05563	4.3
139.07628	23.3
155.07130	28.4
157.08679	42.0
173.08205	4.7
183.06612	41.3
183.07848	1.0
201.07681	100.0
219.08740	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	221.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23332	0.3
50.63005	0.3
55.01875	2.9
57.03442	2.9
58.00568	0.6
59.01376	100.0
60.01717	0.4
68.84894	0.3
71.01366	12.0
72.99306	1.5
73.02934	6.1
73.32903	0.4
75.00851	0.5
80.96526	0.5
81.03448	0.7
83.01386	4.0
85.02935	9.5
87.00867	0.6
89.02442	2.8
95.01360	0.6
97.02923	0.7
99.00873	2.0
101.02428	13.9
113.02444	5.0
115.66882	0.4
129.01913	2.8
131.03552	1.8
133.02939	1.0
141.01878	0.6
143.03450	0.6
159.04283	0.4
161.04558	6.4
161.52751	0.4
221.10312	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	223.0612
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.12145	1.3
54.81525	1.2
54.81783	1.6
58.59005	1.5
59.01381	15.8
62.45689	1.1
65.98215	1.3
71.01350	1.3
74.71319	1.3
75.00867	1.6
77.53779	1.3
84.49925	1.2
87.00874	18.3
91.05522	100.0
101.02448	1.9
105.71442	1.3
117.07077	23.6
133.06567	39.1
135.04504	7.8
158.08873	1.4
161.06058	59.3
162.06445	2.0
163.03993	87.2
163.06116	2.9
165.01793	1.6
172.58922	1.6
178.09535	1.3
179.07109	6.1
205.05101	1.6
223.06100	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.81649	1.2
59.01374	36.1
69.03464	7.8
71.05009	1.3
92.00014	1.1
95.04996	1.8
108.05816	1.2
136.35046	1.2
141.01692	2.6
161.13324	1.5
163.06088	2.4
166.06352	8.4
167.10753	9.9
179.10783	4.9
179.14360	8.3
182.83556	1.2
182.87662	1.2
195.13902	27.9
205.12320	18.7
223.13385	100.0
224.13594	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	225.1131
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01886	2.6
57.76990	1.0
59.01380	20.8
61.93234	1.0
63.25490	1.1
69.03452	4.0
71.01346	1.7
78.95902	1.2
80.02652	1.7
81.03441	13.5
83.05019	5.3
84.02169	9.3
91.47177	1.1
92.63821	1.6
93.03440	4.9
97.02928	11.8
97.06552	1.6
99.04520	1.5
99.95971	1.0
107.05002	2.1
109.06583	76.7
110.03709	6.5
111.04525	1.2
121.06560	5.9
123.04473	1.5
135.08157	13.8
136.05313	1.8
137.02353	1.5
140.78600	1.1
142.02675	5.8
161.09685	5.1
163.11276	37.0
179.10698	1.2
181.12337	15.8
189.09169	1.7
207.10254	100.0
208.10605	1.5
211.47037	1.4
225.09254	2.0
225.11349	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84498	0.1
56.41384	0.1
57.03439	0.1
57.76224	0.1
59.01379	1.8
66.62061	0.1
77.03958	0.1
84.46528	0.1
95.05014	1.0
95.52193	0.1
97.16388	0.1
99.00896	0.2
105.03444	6.7
123.04494	0.6
129.01926	0.4
133.02940	49.0
134.03255	1.0
147.03015	0.5
147.04504	0.2
149.02431	2.7
151.04036	0.6
160.01700	0.2
161.02425	0.1
164.03493	0.2
164.04787	3.8
175.68277	0.1
177.01918	13.1
178.02281	0.6
182.70520	0.1
183.84306	0.1
183.86026	0.1
192.04280	100.0
193.04593	2.9
207.06621	16.2
207.16644	0.2
208.06990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	L-glucaric acid
Peak:m/z	Relative Intensity
55.01881	4.7
57.03444	35.9
58.00603	1.2
59.01374	36.4
61.64277	1.0
62.24352	0.9
65.95321	1.0
67.01891	1.3
68.99831	1.6
71.01370	45.8
72.99294	15.1
73.02939	2.4
74.99097	1.4
75.00858	40.0
76.81448	1.0
78.95903	6.9
80.96511	2.1
81.61422	1.1
82.30034	1.1
83.01408	5.0
84.02156	2.3
85.02942	100.0
87.00861	73.5
87.01398	2.4
87.47262	1.1
89.02422	17.3
96.96989	5.3
99.00894	4.9
100.98798	12.0
101.02435	4.7
103.00352	1.4
111.00861	4.5
112.98808	5.0
115.00340	2.4
117.93002	1.1
118.99872	8.0
121.02944	16.0
129.01926	23.2
133.01422	12.9
141.13135	1.2
142.99844	16.5
147.03003	7.1
165.01904	2.3
165.04016	13.1
173.00861	1.7
191.01993	15.0
209.01282	1.7
209.03072	27.2
209.06657	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0664
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
51.03117	1.0
53.72242	1.1
55.01880	7.9
57.03445	41.1
58.00583	1.2
59.01374	50.3
69.03454	1.1
71.01362	24.2
71.01690	1.4
72.99287	2.0
73.02947	6.4
74.41615	1.1
75.00861	2.6
78.95890	1.4
80.96518	1.5
83.01382	8.4
83.49062	1.2
84.02167	6.9
85.02936	100.0
87.00861	53.7
89.02415	11.2
92.10176	4.6
97.02915	1.4
99.00868	4.7
101.02423	7.8
111.00853	8.4
119.03446	1.6
129.01930	42.4
139.52122	1.1
141.01929	2.3
146.43689	1.2
147.02982	1.4
155.82060	1.6
159.03014	11.5
191.02023	2.2
191.05531	1.4
197.06688	1.4
209.06653	89.2
213.87619	1.3
229.20509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.60703	0.4
56.89476	0.3
59.01389	1.0
69.03468	0.5
81.69148	0.4
83.05042	0.5
89.81137	0.3
92.10857	0.7
128.81750	0.3
165.12753	0.4
167.10706	0.7
167.14400	2.3
183.13876	14.8
185.76265	0.4
193.12279	4.1
211.13387	100.0
212.07713	0.4
212.13698	2.5
215.80199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.62384	0.3
61.86218	0.3
63.29364	0.3
63.39175	0.3
71.36156	0.3
71.61687	0.3
76.21913	0.3
86.64586	0.3
92.63691	0.3
183.13882	33.8
184.14221	0.5
195.13884	24.7
211.13393	0.4
213.14957	100.0
214.15314	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	205.0868
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
50.21688	0.2
50.25090	0.2
51.55509	0.2
59.01386	0.2
67.35012	0.2
70.68552	0.2
71.03348	0.2
74.86098	0.2
76.47981	0.2
81.79224	0.2
92.10108	0.4
108.66286	0.2
109.02978	0.3
118.98212	0.2
121.02898	0.3
122.03725	11.3
124.01662	0.5
135.04568	0.3
137.02411	1.0
147.04509	13.6
148.05202	0.9
149.04828	0.2
149.06073	0.9
154.02725	1.9
155.90802	0.2
158.03792	0.2
161.02362	0.5
161.06087	0.9
175.02335	0.2
175.03986	27.4
176.04773	100.0
177.05148	2.3
177.09222	1.4
187.07573	1.0
205.08694	27.9
205.15970	6.1
206.09052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.24070	0.8
58.02970	40.2
63.87506	0.8
70.02965	11.2
70.66633	1.0
72.00892	6.9
74.84647	1.0
91.05516	19.8
92.10846	4.5
147.04503	45.2
162.09109	1.1
164.07153	100.0
191.86795	1.0
206.08211	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
51.61825	0.8
55.01892	1.6
57.03448	3.9
58.00597	7.8
59.01379	47.2
60.30619	1.1
63.57340	1.0
65.22411	1.1
69.03440	1.0
70.55214	1.0
71.01377	12.1
72.99295	12.6
73.02934	18.9
75.00890	1.7
78.95898	1.6
81.50663	0.9
83.01405	5.9
85.02937	15.7
87.00861	20.0
89.02423	11.3
95.01385	1.7
99.00902	5.2
100.01637	1.1
101.02444	2.6
103.62669	1.1
113.02440	14.1
115.00346	2.1
117.01919	100.0
117.05584	1.2
118.98074	4.9
129.01932	4.7
131.03491	2.0
133.01453	5.7
135.02948	2.3
143.43683	1.3
147.03017	1.3
189.04045	1.8
206.95587	1.8
207.05101	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	207.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03446	2.3
58.00348	1.0
58.00583	8.6
59.01377	48.5
59.01671	1.6
60.70049	1.0
69.03455	0.9
71.01375	12.6
72.99303	18.5
73.02931	15.8
75.00815	2.9
78.95916	3.8
79.06573	0.9
81.96836	1.0
83.01363	7.2
85.02939	13.8
87.00863	19.8
89.02451	9.5
95.01366	1.2
99.00886	4.6
101.02467	4.3
113.02443	19.0
115.00354	2.0
117.01923	100.0
118.98073	1.4
129.01924	5.6
131.03494	2.3
133.01422	2.5
135.03027	1.5
189.04001	1.9
206.95363	1.5
207.05103	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	203.0195
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02370	2.1
55.01868	1.2
57.03450	4.4
59.01373	1.6
67.01885	1.4
69.03442	78.6
69.11708	1.0
71.01370	52.9
72.99287	10.0
75.00874	4.1
79.01879	14.7
83.01365	1.4
85.02940	9.9
87.00858	12.6
95.01371	9.9
95.64736	1.0
97.02931	99.3
99.00881	2.1
111.00892	4.6
113.02430	6.3
115.00338	7.6
115.04002	5.1
123.00871	4.7
129.01901	2.3
131.03471	1.6
141.01917	29.4
159.02985	4.4
185.00890	1.3
203.01973	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	203.0825
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01371	6.4
62.40600	0.6
71.01408	0.8
72.00896	19.7
74.02458	32.4
94.52016	0.7
97.02956	1.8
116.05041	100.0
117.05401	1.1
130.06625	1.2
132.08165	0.9
142.06606	34.8
159.09239	14.1
174.99239	1.7
186.05576	4.9
203.01965	2.9
203.08249	55.1
203.49287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18269	0.8
51.43629	0.8
55.01888	1.8
56.65417	0.8
57.03450	5.2
58.00594	0.9
58.15869	0.8
59.01383	15.3
59.44128	0.8
67.01892	8.6
68.99835	0.9
71.01374	11.4
71.05021	5.4
72.99294	11.4
73.02940	8.5
75.00883	4.0
81.03471	2.2
83.01406	6.2
85.02955	2.3
87.00864	46.9
89.02433	1.0
90.33037	0.9
92.10849	1.8
97.21687	0.9
99.00880	8.6
99.04510	19.3
101.02431	20.9
111.00873	100.0
112.98800	20.9
114.37487	0.9
115.00347	7.3
115.03984	9.3
117.01928	3.6
125.02424	46.1
129.02011	1.4
142.99850	1.4
143.03502	15.5
145.01408	18.6
154.99803	4.0
159.51421	0.9
173.00946	3.3
187.02486	11.6
205.03532	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31815	0.7
55.01888	4.4
57.03454	5.2
58.00590	0.9
59.01384	34.1
59.59111	0.6
59.85690	0.7
68.99819	2.0
71.01377	26.4
72.99303	14.5
73.02943	3.4
75.00851	8.0
81.75710	0.7
83.01373	8.5
84.99307	2.1
85.02961	2.0
87.00877	6.0
89.02439	11.0
99.00857	33.4
99.01473	1.5
99.04519	3.9
100.98813	3.1
101.02434	5.2
103.00400	0.9
110.32816	0.9
111.00179	0.9
111.00878	8.9
112.98797	100.0
115.00356	10.5
115.03992	1.3
117.01914	6.5
125.02436	9.7
127.00342	1.2
129.01897	5.1
133.01456	0.8
142.99860	3.8
145.01433	16.6
173.00891	5.2
187.02454	1.6
205.03513	1.3
205.15930	3.4
208.17274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01383	0.5
66.56641	0.3
68.22225	0.3
69.03457	0.4
85.60895	0.4
92.10825	0.8
128.37845	0.4
137.09692	6.8
143.93172	0.3
155.10767	100.0
156.11116	2.8
162.83359	0.4
181.08690	0.8
199.09737	8.6
199.16960	0.4
203.68065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95018	0.3
59.01375	100.0
60.01706	0.4
60.06567	0.3
126.54047	0.4
129.62294	0.3
132.30185	0.3
139.59500	0.4
157.03525	4.9
159.01492	3.3
164.53943	0.4
201.02539	14.8
202.02699	0.6
213.79552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
59.01374	100.0
60.23713	0.5
63.63209	0.4
64.84647	0.4
69.68256	0.5
84.82285	0.5
95.05016	2.3
97.06560	7.5
111.08170	1.0
113.06087	1.1
125.99918	0.5
129.05586	0.6
139.07614	3.9
141.05588	3.1
157.07440	1.1
157.08679	22.4
201.07706	6.8
211.76257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03452	2.4
59.01374	1.5
61.23527	0.9
61.75975	1.0
67.01868	1.4
69.03445	67.4
71.01367	55.6
71.01749	2.0
72.99310	5.4
75.00860	6.0
75.36595	1.0
79.01873	12.0
83.01393	1.7
84.64015	1.1
85.02951	7.2
87.00865	11.7
95.01365	9.1
96.96986	1.7
97.02931	93.8
111.00884	4.5
113.02405	4.9
115.00369	7.1
120.31159	1.0
123.00877	2.7
129.01936	2.6
141.01933	24.8
159.02986	2.0
203.01970	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	191.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27785	0.6
59.01376	4.7
63.93276	0.6
67.01881	0.6
69.03456	0.6
71.01383	1.4
73.02953	0.9
74.73637	0.6
81.03462	1.4
83.05054	0.7
85.02943	26.1
87.00851	5.8
93.03445	9.3
99.04457	1.2
109.02962	3.0
111.04520	3.4
127.03983	5.0
154.62773	0.7
171.03020	1.1
173.04585	1.2
191.05605	100.0
192.05814	2.3
192.11655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
52.40615	0.5
56.50035	0.5
57.76057	0.5
59.01376	0.9
59.09219	0.5
63.68383	0.5
71.01369	0.9
85.02953	0.7
93.03452	0.6
106.04256	2.3
111.00849	0.7
113.02480	0.6
121.02916	2.7
133.02939	6.9
134.03723	100.0
135.04071	3.0
137.02426	17.9
139.03992	6.0
149.06062	20.9
150.03209	2.5
150.06393	0.8
161.04584	0.7
178.02705	56.4
179.03040	0.8
193.05028	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0503
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
58.69557	0.4
85.92830	0.4
92.10054	0.8
93.03415	0.8
106.04247	0.8
112.93671	0.4
121.02937	2.6
133.02939	31.3
134.03731	31.5
135.04080	0.8
137.02432	16.9
139.03999	6.2
139.21230	0.4
150.03229	2.1
161.02431	37.8
161.30357	0.4
162.02789	0.5
178.02724	5.2
193.05043	100.0
194.05388	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	194.928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89942	0.6
59.01383	3.8
72.19881	0.5
78.95895	68.2
79.95723	1.3
86.54739	0.5
92.10168	0.7
93.17158	0.6
96.95992	67.5
96.96943	100.0
102.01842	0.6
123.97442	0.5
124.30229	0.5
128.71167	0.6
152.91748	81.5
158.92516	3.7
167.90453	30.8
170.92780	3.8
176.93558	3.8
185.91449	0.6
194.90887	1.0
194.92775	30.1
207.81361	0.6
212.93848	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.76198	0.4
59.89716	0.4
61.73334	0.5
61.98830	0.7
64.60378	0.6
71.05014	0.6
81.65905	0.5
86.03049	0.5
92.10822	1.6
95.01392	1.2
97.06569	15.6
97.07142	0.8
99.08152	4.2
116.92834	1.0
122.03714	3.5
123.00864	4.5
125.09701	0.9
126.90450	0.6
137.09711	1.2
138.03256	0.7
151.11261	1.1
153.12839	100.0
154.13188	3.2
160.84142	2.2
162.83890	3.7
166.99832	2.1
179.10753	22.6
180.11183	1.1
182.02176	6.1
197.01996	0.9
197.11850	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	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.8
59.01377	5.4
67.01891	3.5
71.01370	2.4
73.02946	1.3
79.58523	0.5
81.03405	0.6
82.86223	0.5
83.01366	0.8
83.05025	2.4
85.02936	51.8
87.00861	46.2
92.10809	0.7
93.03435	10.8
99.00855	0.7
99.04493	0.7
109.02950	2.3
111.00867	75.5
111.04503	3.2
112.01240	1.0
112.98823	1.1
127.03976	6.9
129.01894	4.3
129.05521	0.5
140.16289	0.5
163.81639	0.5
171.02939	0.8
173.00890	0.7
173.04553	2.8
178.42508	0.6
190.30486	0.5
191.01973	9.5
191.05600	100.0
192.05885	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	Quinic acid
Peak:m/z	Relative Intensity
59.01384	2.7
60.95631	0.6
62.91634	0.5
70.28899	0.7
71.01382	1.6
81.03426	0.9
83.05042	1.2
85.02942	26.1
87.00861	5.4
87.01328	0.6
92.88087	0.6
93.03440	7.7
99.04492	0.6
109.02940	1.4
111.04533	1.4
127.04020	5.5
171.02917	0.8
173.04514	1.1
178.45644	0.6
191.05608	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	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.95965	0.6
56.12360	0.7
59.01379	4.6
64.33963	0.7
67.01886	0.9
69.63023	0.6
71.01391	3.0
74.92727	0.7
81.03487	0.6
83.05033	0.7
85.02936	32.4
87.00848	5.8
90.15881	0.6
93.03425	8.7
99.04532	0.7
106.12988	0.6
109.02928	1.7
111.00850	1.2
111.04498	4.2
111.65224	0.7
127.03999	5.2
141.91454	0.6
173.04512	1.2
191.05602	100.0
192.06033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
59.01384	3.7
67.01867	0.7
71.01390	1.5
73.02955	0.8
83.05038	1.1
85.02940	27.0
87.00867	6.4
93.03444	10.4
99.04482	0.9
109.02941	0.9
111.00875	3.3
127.03990	4.8
135.45718	0.7
141.74965	0.7
150.31218	0.7
150.77364	0.6
173.04514	3.1
179.44167	0.6
191.05600	100.0
192.05940	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	191.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.7
59.01379	2.7
67.01890	4.3
71.01360	1.1
72.28276	0.3
73.02921	1.0
81.45948	0.3
83.05043	0.5
83.83162	0.3
85.02937	41.3
87.00861	57.8
93.03429	3.6
99.04520	0.3
103.04028	0.3
109.02935	0.4
111.00867	100.0
111.04513	1.5
112.01182	0.6
114.04045	0.3
127.03996	2.2
129.01920	5.0
130.99849	0.5
143.15396	0.3
147.02943	0.3
148.00162	0.3
154.99780	0.6
171.02914	0.4
173.00885	2.3
173.04555	0.5
191.01974	10.8
191.05598	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36311	0.5
57.03440	9.5
59.01369	7.8
67.01881	6.6
69.03436	1.0
71.01367	5.3
72.99305	4.1
73.02921	5.6
76.55505	0.8
81.03433	0.9
83.05039	0.9
84.14162	0.6
85.02402	1.4
85.02510	0.6
85.02934	60.6
87.00858	63.3
87.94753	0.6
93.03436	8.1
99.00874	3.0
99.04508	1.0
101.02415	0.9
109.02976	0.9
111.00864	100.0
111.04497	3.5
112.01190	1.3
112.98812	4.0
117.01935	2.8
127.03976	5.0
128.86325	0.8
129.01926	8.7
130.99847	0.7
154.99835	1.6
171.02980	1.0
173.00902	5.1
173.04520	1.7
185.94479	0.8
191.01985	13.4
191.05592	81.6
192.06165	0.9
201.11971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17585	0.4
54.81684	0.5
56.97779	0.4
57.03455	8.7
59.01382	3.4
67.01881	5.6
69.03442	0.5
71.01375	2.6
71.78552	0.5
72.99300	2.7
73.02945	4.7
74.31954	0.4
83.01379	0.6
85.02945	46.5
86.91557	0.5
87.00864	54.7
88.01208	1.0
93.03442	2.9
99.00864	2.2
101.02406	1.1
109.02906	0.5
109.57941	0.5
109.81420	0.5
111.00871	100.0
111.04542	0.8
112.01197	2.3
112.98804	2.9
117.01920	1.0
127.03989	2.3
129.01913	6.9
150.39862	0.4
150.82353	0.5
154.99809	1.1
173.00929	3.7
191.02003	12.9
191.05603	40.3
192.06050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.01892	0.2
57.03452	0.9
59.01377	3.7
67.01904	1.4
69.03472	0.8
71.01376	2.1
72.99298	0.3
73.02951	1.4
76.55880	0.2
81.03470	1.2
83.05029	1.3
84.35345	0.2
85.02945	29.9
86.03288	0.4
87.00864	7.1
87.01393	0.3
88.01196	0.3
93.03439	9.7
99.00826	0.3
99.04506	1.3
109.02943	2.7
111.00866	1.7
111.04504	2.4
113.02393	0.2
117.01958	0.2
125.02422	0.2
127.04003	6.3
137.02409	0.3
143.03459	0.3
147.58792	0.2
155.03511	0.4
161.93987	0.2
171.03004	1.5
173.04510	2.3
191.05602	100.0
192.05954	1.7
211.16740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1182
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
52.35661	0.4
54.81397	0.6
59.01346	0.5
60.65055	0.5
64.41725	0.4
69.03469	3.0
71.05038	1.0
73.02941	1.2
78.95907	3.4
88.47128	0.6
92.10875	0.6
96.96949	3.0
97.06593	0.8
109.06588	4.3
113.09731	9.3
115.07646	3.7
125.09672	3.4
139.02538	0.6
139.07649	0.8
141.09190	0.9
157.08746	0.9
167.10730	1.2
169.04070	0.6
179.49571	0.6
185.11812	100.0
186.12184	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	185.118
Annotation	Epomediol
Peak:m/z	Relative Intensity
54.26572	0.6
59.01385	1.3
69.96457	0.7
78.95916	4.2
79.08167	0.7
83.05026	0.8
83.57809	0.7
96.96949	1.8
113.09744	0.7
149.09718	1.3
155.10767	31.7
167.10764	33.5
175.11971	0.7
185.11809	100.0
186.12149	4.3
197.04901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	83.7
61.98825	0.8
80.33736	0.8
103.99986	0.7
115.02516	5.3
117.00427	11.2
127.86983	1.2
128.87177	0.8
141.86758	1.7
142.89397	5.2
143.01993	1.0
144.29579	0.8
144.99890	1.0
159.01471	100.0
160.01637	4.9
187.00974	11.8
209.85709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.035
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.37183	0.2
65.99857	0.2
79.56185	0.2
84.40874	0.2
92.10867	0.2
92.43758	0.2
99.94826	0.2
102.03496	0.4
110.47654	0.2
114.44553	0.1
116.05075	0.3
127.00391	0.2
144.04538	100.0
145.04900	4.2
188.03523	2.5
197.52495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0402
Annotation	4-Hydroxy-2-oxo-heptanedioate
Peak:m/z	Relative Intensity
55.01881	0.4
57.03444	2.2
57.15427	0.4
59.01380	1.5
69.03440	2.0
70.74187	0.4
71.04996	0.5
73.02943	2.8
73.18355	0.4
74.96611	0.3
83.01363	7.0
85.02940	8.9
87.00858	100.0
88.01202	0.9
99.00844	1.6
101.02416	4.5
112.01643	0.5
113.02407	2.4
114.37105	0.4
127.00354	8.7
170.95839	0.4
189.00369	1.9
189.03993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82098	0.8
55.01876	3.7
57.03452	2.2
58.00594	1.9
59.01373	89.2
61.98786	0.8
68.38357	0.9
69.03446	1.3
71.01369	100.0
72.99287	1.1
73.02930	33.9
73.03312	1.4
83.01370	6.8
85.02939	14.7
87.00851	1.0
89.01879	2.2
89.02426	56.1
91.04009	1.1
95.01350	0.9
97.02944	6.6
99.97593	0.8
101.02422	62.5
105.90457	0.9
113.02437	9.0
115.04021	4.3
119.03479	7.8
131.03514	4.0
149.04550	1.4
163.06084	6.3
171.24663	0.9
181.07162	93.1
182.07457	1.9
188.09233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1386
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
63.90828	1.6
91.01188	1.7
120.24939	1.7
146.84908	1.6
183.13884	100.0
184.14366	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	184.9853
Annotation	D-Glycerate 2-phosphate
Peak:m/z	Relative Intensity
61.84369	0.4
78.95893	82.9
82.83539	0.6
86.67255	0.5
96.96944	100.0
111.28382	0.5
129.78157	0.5
184.98553	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	184.9853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16800	0.4
54.56903	0.4
55.69314	0.4
70.61133	0.4
71.36838	0.4
73.96518	0.5
78.95898	82.2
79.00864	0.5
92.10709	0.6
96.96949	100.0
110.98531	1.8
121.34299	0.4
166.97491	1.0
184.98579	8.0
187.22076	0.5
196.88873	0.5
200.82729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0402
Annotation	2-Dehydro-3-deoxy-D-gluconate
Peak:m/z	Relative Intensity
51.15165	0.5
57.03448	14.5
59.01125	0.6
59.01374	6.1
59.75340	0.7
69.03448	15.3
71.01369	1.5
71.05012	7.7
72.99301	12.3
78.95891	4.4
84.97770	0.6
85.02937	6.9
87.00857	13.5
88.01212	0.8
89.01280	5.4
97.02940	21.6
113.02438	25.7
115.00365	0.7
115.03992	32.0
115.04809	1.4
126.51013	0.7
129.01871	0.7
131.03471	11.0
133.05032	1.0
141.00874	1.1
141.01932	27.2
158.92549	0.7
159.02975	100.0
160.03310	3.2
177.04051	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	177.0554
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
54.44933	0.4
59.01379	4.5
59.67764	0.4
71.01369	0.8
89.02441	0.4
93.03446	0.9
105.03409	0.5
117.03448	53.2
118.04273	6.5
121.02938	27.7
122.03199	0.5
123.04507	7.9
133.02945	7.5
134.03740	3.1
145.02942	63.7
146.03325	1.1
147.02997	0.4
162.03206	9.7
163.92204	0.6
177.02132	2.1
177.05550	100.0
178.05864	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43492	0.4
70.98478	0.3
71.01400	0.4
79.85771	0.4
83.83786	0.3
84.93234	0.3
96.95011	0.3
120.56973	0.3
134.96075	13.2
135.96103	0.6
136.93993	100.0
137.94054	4.8
138.16107	0.3
151.91473	0.7
151.92705	17.3
151.93895	0.8
166.93298	0.4
168.17722	0.4
178.95047	41.0
179.95192	2.1
196.96104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51220	1.1
55.01888	5.1
57.03469	1.9
57.40761	0.9
59.01379	88.9
63.15357	1.0
68.81590	1.0
69.03461	2.3
71.01372	100.0
72.01698	1.6
73.02937	34.2
83.01386	9.2
85.02939	16.8
87.00886	2.2
89.02425	64.1
91.04003	1.6
97.02963	5.5
101.02426	70.3
101.10801	1.3
111.65459	1.2
112.80099	1.4
113.02460	9.2
115.03958	2.9
119.03462	8.0
119.82620	1.4
121.04997	1.5
131.03511	2.3
149.04556	1.3
163.06110	8.3
170.92964	1.5
177.07663	1.2
181.07153	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0401
Annotation	2-Dehydro-3-deoxy-D-gluconate
Peak:m/z	Relative Intensity
53.34735	0.5
54.81727	0.6
57.03446	13.6
58.93786	0.5
59.01388	1.1
59.79949	0.6
63.80239	0.5
67.56023	0.6
69.03448	11.8
71.01385	3.2
71.05000	7.3
72.99302	12.4
85.02932	5.4
87.00869	7.3
87.04520	1.4
92.10139	1.2
97.02934	24.3
99.00916	0.7
113.02436	23.9
114.58642	0.5
115.03988	27.8
129.01878	1.0
131.03482	10.7
131.32164	0.6
138.76218	0.8
141.01930	31.1
141.03044	1.3
159.02974	100.0
160.03328	3.8
177.04002	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	175.0609
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03438	1.4
59.01374	8.3
60.07774	0.6
68.99806	1.5
69.03444	0.8
71.01385	1.0
71.05013	0.9
72.99305	0.6
78.95907	1.0
85.02940	1.0
85.06578	40.7
87.00858	9.3
87.04509	0.8
93.03455	1.0
113.06069	38.4
114.06366	0.9
115.00401	1.3
115.03987	100.0
116.04334	1.2
116.92865	1.5
129.05550	0.7
130.16756	0.6
131.07117	8.2
131.29724	0.6
135.04515	5.9
138.15289	0.7
157.05081	9.5
174.88942	3.0
175.06099	50.2
179.03456	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	176.0561
Annotation	(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate
Peak:m/z	Relative Intensity
50.00265	0.4
50.56700	0.4
57.03441	20.6
63.22130	0.4
66.03486	3.3
68.05042	4.9
69.03446	8.7
72.00894	32.9
78.95885	73.0
84.88602	0.5
85.02940	1.1
86.06120	2.1
87.00868	2.2
87.98652	0.5
88.01202	1.0
92.64218	0.4
94.02709	0.4
96.04507	0.6
97.02932	0.8
97.91447	0.4
102.17457	0.4
113.02425	11.2
113.40078	0.5
114.05588	28.0
115.05320	0.5
130.05051	4.3
132.06635	0.6
140.03506	2.5
158.04561	100.0
158.92503	13.0
159.04930	0.6
172.03920	0.5
176.05612	3.5
176.93564	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	175.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49662	0.2
57.03456	0.2
59.01370	1.4
64.33334	0.3
69.03444	14.3
70.03773	0.3
70.91726	0.2
77.32746	0.4
79.43949	0.2
85.02944	3.8
87.00862	100.0
88.01211	2.2
112.01646	1.2
113.01717	0.5
113.02431	6.4
116.26688	0.3
127.77640	0.4
147.02980	0.4
152.06712	0.3
157.01427	2.3
158.20433	0.3
175.02362	1.2
175.06076	0.3
180.18451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98819	0.5
52.94085	0.5
57.03461	2.6
59.01375	7.5
67.77939	0.6
69.03455	1.5
71.01397	1.4
73.26354	0.7
85.02954	2.6
85.06580	41.6
87.00867	8.1
87.04502	1.4
88.94758	0.7
93.03433	1.1
113.05280	1.6
113.06075	41.5
115.00431	1.0
115.03992	100.0
116.04322	0.9
129.05565	1.1
131.07118	8.0
135.04494	11.2
143.07411	0.7
157.05043	8.9
174.88853	0.8
175.02649	1.0
175.06104	54.1
176.03787	1.5
179.03452	7.1
189.71111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75778	0.2
54.18572	0.2
57.03440	1.1
59.01368	0.9
67.01864	0.2
69.03447	16.0
71.01369	0.5
72.00896	1.0
72.99320	0.2
85.02934	2.7
85.85533	0.2
87.00861	100.0
88.01183	1.8
88.66381	0.2
88.81116	0.2
111.00871	0.2
111.04526	0.4
112.01640	1.1
113.02438	6.9
114.05578	0.3
119.45487	0.3
157.01401	1.9
158.04582	2.3
175.02425	0.9
175.06122	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0244
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
50.14939	0.3
57.03476	0.3
59.01375	0.4
61.30275	0.3
67.01885	0.3
68.50773	0.3
69.03444	15.0
71.01376	0.4
71.52995	0.3
85.02955	3.5
87.00860	100.0
88.01200	1.6
88.98851	0.3
112.01647	0.5
113.02439	5.6
118.43243	0.3
157.01392	2.4
159.66695	0.3
161.53758	0.3
175.02373	0.6
175.06076	0.6
193.27278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0452
Annotation	2-Oxopimelate
Peak:m/z	Relative Intensity
53.63292	0.9
57.03461	6.1
59.01384	30.0
62.98534	1.5
64.04076	1.3
67.01905	7.2
67.05542	1.5
69.03452	2.9
70.11374	1.1
71.01385	6.8
72.99297	85.3
73.02945	2.0
83.05019	14.2
84.40875	1.1
85.02960	7.5
85.06593	8.2
92.64033	1.2
93.03438	27.3
98.39854	1.2
99.04491	20.0
111.00861	10.0
111.04508	81.6
112.04803	1.6
112.98847	1.5
123.50082	1.3
129.05574	21.9
137.02422	3.0
145.66040	1.5
155.03485	100.0
156.03760	2.4
158.82443	1.3
173.04546	13.4
173.08217	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	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.6
55.01884	11.9
57.03450	7.6
59.01372	17.0
59.40112	1.7
61.37453	1.3
67.01891	6.4
68.99825	2.8
69.19810	1.4
71.01372	98.8
71.12206	1.6
72.99303	10.0
73.02947	11.4
83.01366	15.3
83.04988	2.0
85.02938	18.3
87.00865	9.2
89.38140	1.4
93.03433	14.4
96.99292	6.4
99.00866	40.3
99.04566	2.0
111.00873	37.4
111.04500	8.1
112.98795	100.0
113.99162	3.1
115.00349	3.4
124.98793	28.0
129.01918	2.7
133.53191	1.9
137.02438	2.4
142.99852	74.9
173.00905	11.3
173.04501	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	173.0452
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
53.93248	0.7
57.03446	3.4
59.01376	5.8
59.62113	0.7
60.99303	1.5
61.49740	0.7
66.70155	0.8
67.01894	17.5
69.03453	3.8
71.01383	8.1
81.03472	3.3
83.05006	1.4
85.02947	1.7
93.03446	94.7
94.03785	1.9
109.02943	2.0
111.00880	1.7
111.04521	12.2
111.91970	1.1
137.02403	1.8
155.03452	1.5
173.04524	100.0
174.04852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14576	0.6
51.82189	0.7
54.12923	0.7
58.48438	0.7
60.74886	0.7
69.92044	0.7
72.99295	34.8
73.32658	0.7
77.03973	3.7
91.05541	1.9
101.03912	1.5
117.03415	1.4
119.05009	43.5
121.02937	51.2
122.03308	0.8
147.04506	100.0
148.04848	1.7
165.01869	3.9
165.05533	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0347
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
56.56473	0.4
59.29262	0.4
63.43963	0.3
63.63958	0.4
67.01899	1.9
70.63215	0.4
73.98807	0.5
78.95908	0.9
83.01379	2.2
90.84028	0.4
91.86330	0.4
92.10817	1.4
95.01393	3.3
107.01366	0.9
108.02162	11.8
110.91675	0.4
111.00870	13.2
123.00865	6.3
123.04443	0.6
124.01632	11.8
135.00838	0.8
137.13017	0.4
139.00363	3.0
152.01137	29.9
153.01480	1.0
156.44154	0.4
167.03481	100.0
168.03857	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	168.981
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
52.11237	0.3
71.01369	100.0
72.01709	2.1
72.68723	0.3
75.98215	0.4
78.95887	4.7
79.95742	0.7
80.96509	36.9
81.08557	0.4
87.00848	3.0
92.10074	0.4
94.98089	0.4
96.96001	0.5
96.96937	1.4
106.98097	3.2
108.67253	0.4
122.97597	0.6
123.55043	0.4
127.92950	0.4
145.18130	0.4
150.97054	60.0
151.97350	1.6
168.98105	66.4
169.98378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	1.8
53.92803	1.6
54.24343	1.8
55.01867	7.7
57.03445	3.7
59.01378	11.0
63.05391	1.9
64.91586	1.7
67.01876	4.1
68.99867	1.7
69.26687	1.9
71.01368	100.0
71.01748	3.5
72.01723	2.0
72.99289	14.8
73.02930	11.5
83.01378	11.8
85.02949	8.6
87.00845	3.2
92.10760	2.3
93.03423	8.6
96.99310	3.4
99.00856	36.7
100.01256	2.1
111.00865	43.9
111.04501	4.9
112.98795	55.5
124.98790	26.9
138.44345	1.9
142.99834	57.1
144.00043	2.2
155.03481	4.2
161.24599	1.9
173.00853	9.5
192.83261	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	163.0762
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
50.13017	0.3
59.01375	0.5
61.24661	0.3
62.88454	0.4
83.42994	0.4
85.02984	0.4
101.02493	0.5
119.04994	8.6
121.02930	2.6
147.04518	3.4
148.05284	100.0
149.05609	6.1
149.73422	0.4
162.89328	0.4
163.00327	0.4
163.03967	0.4
163.06229	0.6
163.07593	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	164.0715
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
72.00895	37.3
77.03968	0.9
78.95895	1.6
88.44159	0.8
91.05537	3.9
92.10189	1.5
96.68168	0.8
103.05556	1.1
105.01915	0.9
109.51202	0.9
121.02942	17.9
145.81238	0.8
147.04509	100.0
148.04846	4.9
162.12816	1.0
164.07158	49.4
171.82640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0401
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
55.01878	0.5
57.03450	0.9
59.01379	12.4
68.61280	0.5
69.13641	0.4
71.01379	7.2
72.99299	6.9
73.02942	3.7
75.00858	44.1
76.01229	0.5
85.02926	0.7
87.00862	100.0
88.01207	1.0
89.02409	4.3
99.00867	15.7
99.01478	0.9
99.85441	0.6
101.02444	3.0
105.01926	68.4
106.02257	0.9
117.01936	2.4
119.03506	1.0
129.01932	4.8
135.02982	2.6
147.02977	8.0
150.19058	0.6
165.04024	63.4
166.04364	1.1
184.08168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
56.85288	1.2
59.01386	18.5
61.75301	1.3
64.33100	1.4
71.01364	11.8
72.57034	1.3
72.99307	12.5
73.02949	2.4
75.00867	90.7
85.02950	1.6
87.00867	100.0
89.02448	6.0
97.96011	1.4
99.00852	14.9
101.02435	6.5
105.01923	69.9
111.33165	1.3
111.94067	1.6
117.01952	2.2
119.03406	1.5
121.02944	18.6
129.01920	13.6
144.73116	1.5
147.02979	7.9
165.04013	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	100.0
58.21180	0.7
59.01382	24.3
68.74297	0.7
71.01379	1.6
73.02946	1.5
85.02969	2.2
99.04499	78.8
100.04854	0.8
101.02425	31.7
111.51988	0.8
131.03476	0.8
143.03430	1.0
157.11519	0.6
161.04535	16.6
161.49849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
52.98800	3.0
59.01375	4.3
75.79390	2.8
91.05505	15.3
98.31229	2.8
101.02412	4.2
102.16271	3.3
115.35512	3.2
119.05001	100.0
135.00833	4.0
163.00307	5.5
163.03941	11.2
163.06114	7.5
166.88046	3.1
174.86473	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96995	0.3
56.63361	0.3
59.01376	0.3
67.65580	0.3
71.93713	0.3
85.02943	0.5
91.05521	0.6
93.03436	1.7
97.29127	0.3
101.02447	1.5
119.05004	100.0
120.05344	3.6
162.89320	0.8
163.04019	5.0
163.06108	0.8
167.22665	0.4
177.72192	0.4
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
59.01379	0.2
59.32498	0.1
64.57196	0.1
71.01374	0.1
91.05542	0.3
93.03430	1.2
100.23594	0.1
101.02432	0.2
105.88367	0.1
119.05008	100.0
120.05341	3.4
154.22527	0.1
163.00386	0.2
163.02583	0.2
163.03992	7.0
163.06088	0.2
164.04361	0.3
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	4-Coumaric acid
Peak:m/z	Relative Intensity
57.29600	0.5
59.01126	0.7
59.01364	4.6
61.56642	0.5
62.11013	0.5
67.91113	0.5
71.01384	1.3
72.97186	0.5
73.68343	0.6
85.02950	2.9
90.81484	0.6
91.01907	0.6
93.03441	1.3
96.72988	0.7
101.02395	4.6
119.05008	100.0
120.05367	2.6
158.81326	0.7
162.89340	3.6
163.00310	1.0
163.04010	8.2
163.06064	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	153.0555
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
55.60112	0.7
62.34533	0.8
65.03600	0.7
81.03458	1.1
81.70998	0.9
91.61777	1.1
92.38124	0.8
92.86912	0.8
95.05051	1.2
96.95999	4.3
108.02182	3.7
109.02944	30.0
109.03624	1.7
110.00089	5.1
110.03305	0.9
117.86923	0.9
122.03654	1.5
123.04508	100.0
124.04006	7.2
124.04868	3.4
125.02422	1.2
135.04509	1.1
136.04016	1.1
137.99623	3.4
153.01933	12.7
153.05542	16.7
153.86853	1.4
154.05040	4.3
168.13029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0139
Annotation	4-Methylene-2-oxoglutarate
Peak:m/z	Relative Intensity
51.02381	1.1
51.93064	0.7
57.03447	5.1
61.61142	0.8
67.01886	2.2
68.99804	2.1
69.03445	100.0
71.01353	6.9
75.00868	4.6
82.37857	0.9
85.02938	85.9
107.24071	0.8
112.01647	5.6
113.02434	16.6
116.84162	1.1
157.01401	4.1
162.31087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0296
Annotation	2-Oxoadipate
Peak:m/z	Relative Intensity
55.01885	10.8
57.03444	65.1
59.42857	2.7
63.40719	2.2
69.03450	51.4
71.01387	10.5
71.05013	27.9
72.99305	52.3
74.02479	3.3
85.02953	26.3
87.00871	15.4
87.55472	2.9
88.04050	12.2
97.02937	81.0
99.00851	8.7
112.13937	2.8
113.02442	89.4
115.03996	75.4
131.03477	29.0
141.01915	53.0
154.99159	2.4
155.31911	2.5
159.01709	4.5
159.02969	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	161.0453
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
57.03445	100.0
59.01374	30.1
71.01361	7.9
71.05029	0.9
73.02945	3.8
81.03414	0.7
85.02937	4.8
87.00866	2.6
95.01350	0.6
99.04500	90.7
100.04826	0.8
101.02422	34.0
102.02833	0.8
113.02439	3.4
117.05578	1.0
131.03442	1.1
143.03488	3.7
145.82179	0.6
161.04535	21.6
184.00479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0241
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
52.38929	0.5
54.82273	0.4
59.01369	0.9
62.11725	0.5
63.92017	0.5
65.03954	0.6
65.92074	0.4
67.01888	0.7
80.19262	0.4
89.02441	0.6
92.43742	0.5
92.44443	0.5
93.03439	13.0
94.99285	0.9
96.82175	0.4
121.02937	39.3
122.03288	2.3
134.03693	1.2
139.03999	95.8
140.04372	4.4
149.02431	100.0
149.06020	5.9
150.02783	5.7
165.01874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0452
Annotation	D-Ribose
Peak:m/z	Relative Intensity
55.01886	1.6
55.15749	0.7
57.03439	3.4
59.01374	37.6
69.03441	5.5
71.01369	29.9
71.01743	1.2
72.99287	1.1
73.02936	31.1
74.14452	0.8
75.00865	3.6
75.76839	0.8
85.02959	6.8
86.19040	0.7
87.00854	12.4
87.01230	0.7
89.02427	100.0
101.02440	1.4
103.03976	10.1
106.87600	0.8
131.02551	1.5
131.03481	26.4
149.04530	89.9
150.04880	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	153.0191
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
59.01371	0.6
59.14151	0.5
60.60541	0.4
64.31667	0.5
65.00326	3.6
66.03490	0.8
66.52621	0.5
68.99816	1.1
69.03468	0.7
72.99306	5.5
78.95902	15.5
80.96505	0.7
81.03443	1.4
82.00603	3.0
82.02998	0.6
83.01396	1.2
84.99324	3.6
89.02480	0.6
96.99310	1.3
97.02946	1.0
102.33068	0.5
107.01385	0.7
108.02186	0.6
109.02943	14.9
109.04153	0.5
110.00088	100.0
111.00417	2.4
117.83175	0.6
125.00075	7.4
125.02419	7.5
125.99586	3.4
137.99573	31.2
151.00377	1.3
152.91760	2.3
153.01926	65.4
154.02322	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	147.0297
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
53.97147	0.9
55.01880	1.4
57.03445	15.3
57.40999	0.8
59.01375	31.3
64.61239	0.8
69.65556	0.8
71.01367	100.0
71.05006	1.8
72.01693	1.5
72.99291	52.6
77.26963	1.0
83.05014	1.0
85.02939	14.5
87.00858	42.0
88.01257	1.2
92.10189	1.8
96.99284	1.2
99.00879	1.7
101.06080	2.1
103.04028	1.4
121.41682	0.9
129.01926	12.6
138.76089	1.0
147.02942	8.5
147.06642	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	147.0297
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
57.03176	0.7
57.03443	18.0
59.01373	8.9
71.01353	0.6
72.70130	0.4
73.02937	1.0
74.22081	0.4
77.31013	0.5
85.02936	68.2
86.03252	1.8
87.00858	100.0
88.01185	1.1
101.02407	3.9
103.03998	10.3
129.01926	18.2
147.02975	51.9
148.03336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	22.6
59.01373	9.9
65.61346	0.5
71.01375	1.2
73.48395	0.7
80.73122	0.6
85.02939	61.7
86.03275	1.0
87.00861	100.0
88.01213	1.0
101.02406	4.7
102.33065	0.5
103.03986	8.4
129.01929	17.8
147.02977	45.4
148.03236	0.7
155.40263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0452
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.28637	0.4
61.98834	2.6
77.93432	0.4
101.02475	0.5
101.06060	3.6
114.23473	0.5
116.50171	0.6
124.40343	0.5
138.92271	0.6
144.04539	100.0
144.96481	0.6
145.04907	5.9
155.05515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03446	31.6
65.54336	0.8
71.01382	2.0
73.02934	20.6
77.60860	0.8
77.86386	0.8
78.44624	1.0
83.01389	4.5
91.68401	0.9
91.93567	0.8
92.10146	0.9
99.00875	1.6
101.02425	100.0
102.05600	1.4
113.78100	0.8
124.20113	0.9
145.01373	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	145.014
Annotation	Oxoglutaric acid
Peak:m/z	Relative Intensity
55.01871	1.8
57.03447	31.5
71.01405	1.1
73.02927	15.7
77.72586	1.3
78.05927	1.1
83.01410	1.9
98.41588	1.1
101.02424	100.0
101.28123	1.1
102.02743	1.3
122.86796	1.3
130.98036	1.3
144.96487	9.3
145.01462	10.3
146.54909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0504
Annotation	5-Methoxy-5-oxopentanoic acid
Peak:m/z	Relative Intensity
52.50300	0.3
55.24270	0.3
59.66034	0.3
67.01932	0.4
68.65553	0.3
69.03446	45.2
70.03792	0.4
71.01379	2.3
85.02940	4.9
90.53658	0.4
95.43581	0.3
98.00080	1.4
101.06061	0.4
111.88835	0.3
113.02438	100.0
114.02753	2.2
117.03448	13.6
124.53699	0.4
145.02945	7.7
145.05014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90802	1.9
53.00323	16.7
55.67070	2.1
59.01389	5.7
61.51559	2.3
63.38543	2.2
65.47682	2.4
68.99821	3.1
71.01369	41.0
78.72630	2.4
83.01387	2.8
87.00858	10.8
96.99294	21.9
98.21426	2.3
99.04533	3.9
112.98800	29.4
114.17207	2.2
124.98789	48.0
128.70560	2.3
129.25165	2.5
140.98267	17.1
142.99855	100.0
161.29181	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	142.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	15.2
55.16309	2.1
59.01349	2.6
63.97394	2.0
68.99811	2.4
71.01363	29.1
77.45048	2.2
78.53630	2.1
80.99841	2.6
87.00869	5.2
96.99292	17.7
112.98777	16.5
115.00342	4.3
124.98774	46.4
127.75154	2.4
140.98268	10.7
142.99850	100.0
144.00270	3.2
148.55693	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	142.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	16.7
59.01393	2.2
71.01376	30.7
73.74101	1.8
80.99835	2.3
81.03433	2.6
83.01390	3.8
87.00896	4.0
89.61575	2.0
96.99302	16.5
105.57353	2.2
112.98801	20.8
115.00348	9.9
117.25128	2.0
121.52437	1.9
124.98781	47.8
138.32719	1.8
140.98289	9.0
142.99847	100.0
143.00923	4.5
144.00218	3.0
148.70926	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	133.014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12112	0.5
52.67100	0.4
59.01368	1.9
59.58410	0.5
71.01374	66.2
72.99297	16.6
87.00835	1.0
89.02444	8.6
115.00354	100.0
116.00689	3.1
129.27563	0.5
133.01410	28.3
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	o-Phthalaldehyde
Peak:m/z	Relative Intensity
52.81073	0.7
55.23275	0.9
59.22810	0.9
61.35725	0.7
71.01374	21.4
72.99313	4.9
77.03979	1.1
87.04514	2.3
89.02438	1.5
92.10639	1.2
105.03442	5.1
114.36732	1.2
115.00350	32.0
132.02144	15.1
133.01494	9.5
133.02933	100.0
133.05051	4.7
134.03241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0241
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03948	0.3
66.06054	0.2
70.06813	0.2
70.07529	0.2
81.03450	2.6
91.01859	0.3
93.03431	2.0
108.02168	3.8
109.02954	2.9
119.01362	1.0
121.29517	0.3
136.01645	7.7
137.02426	100.0
138.02779	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	137.0242
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.33644	0.1
56.68504	0.2
64.33025	0.2
65.03963	0.4
72.83118	0.2
78.24715	0.2
92.10879	0.4
93.03442	100.0
94.03782	3.5
137.02423	28.8
138.02798	1.0
148.67059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0195
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
56.43685	0.2
58.68792	0.2
64.27832	0.2
72.43517	0.2
92.10880	0.2
108.02162	51.7
109.02521	1.0
130.49368	0.2
138.01953	100.0
138.94032	0.2
139.02316	2.6
142.85725	0.2
153.29253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0871
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
51.71977	0.3
52.37908	0.5
54.78876	0.4
62.82690	0.4
68.02235	0.6
68.99802	0.5
69.03448	15.3
71.36829	0.5
73.02929	0.7
76.55901	0.5
78.62054	0.5
84.08178	0.6
85.02956	1.9
86.03323	0.5
87.00858	25.4
87.04508	3.3
88.04028	6.4
92.10133	1.2
104.23679	0.5
113.02439	10.1
130.08717	100.0
131.03441	0.7
131.09106	1.9
136.15804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0348
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
56.77793	0.3
66.16307	0.3
68.99816	1.1
69.03452	0.7
69.61739	0.3
71.01339	0.4
73.02945	1.2
81.47729	0.3
85.02924	0.7
87.00862	0.4
87.04505	100.0
88.04845	1.6
113.02428	6.7
131.03481	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	131.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93646	0.2
57.03417	0.2
59.01359	0.4
61.05445	0.2
68.99791	0.6
69.03445	1.7
71.01371	0.5
73.02936	1.7
78.39249	0.3
85.02947	0.5
87.00867	0.3
87.04498	100.0
88.04833	1.3
113.01648	0.3
113.02435	7.9
131.03476	22.9
132.03821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.014
Annotation	Malic acid
Peak:m/z	Relative Intensity
58.48126	0.4
59.01376	0.8
71.01373	59.3
72.99297	15.8
72.99711	0.7
87.00853	0.9
89.02436	7.9
115.00359	100.0
116.00652	0.6
118.99718	0.5
133.01414	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0556
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
51.21923	3.7
54.18778	3.6
54.92171	3.2
55.01891	5.3
56.82761	3.1
57.03450	6.4
57.51788	3.7
59.01376	5.8
64.68932	3.7
67.01894	8.0
71.01389	5.7
83.05057	5.7
85.02947	36.9
92.10201	5.2
112.14835	3.7
119.05873	3.7
123.54765	4.8
128.90176	18.4
129.01961	16.9
129.05563	100.0
136.12317	4.0
140.47105	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	129.0192
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01872	13.1
57.03447	59.6
57.03734	2.0
59.01387	1.9
67.01883	100.0
71.01374	2.7
72.99344	1.7
73.02949	1.3
75.14370	1.2
82.26574	1.3
83.01379	6.7
85.02940	11.7
102.70260	1.3
115.65710	1.2
116.62098	1.3
128.90146	2.7
129.01900	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	129.0556
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01881	3.1
57.03451	15.2
59.01383	5.0
59.57436	2.4
67.01887	6.4
71.01382	11.9
73.02952	4.6
83.01355	2.8
83.05023	6.7
84.19265	2.9
85.02940	46.0
85.06572	5.3
89.74216	2.5
111.30333	3.6
121.96091	3.1
128.90163	35.1
129.01935	17.5
129.05557	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	1199.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05079	0.6
85.02937	15.4
87.00874	2.8
89.02396	0.6
91.40722	0.5
93.03429	6.5
97.02905	0.5
99.04508	0.6
101.02451	1.0
106.90992	0.5
109.02955	1.3
113.02447	0.8
117.34906	0.5
121.03034	0.5
124.32391	0.6
127.03988	4.8
133.02942	3.0
135.04483	6.1
148.05266	0.8
157.64337	0.6
160.01620	2.4
161.96893	0.6
162.03320	0.6
171.03069	1.3
171.04552	0.7
172.05321	3.7
173.04601	3.0
174.03192	1.4
176.04794	0.6
179.03549	0.9
183.04477	0.7
184.05319	0.7
185.06087	0.9
191.05600	96.3
192.05978	0.7
197.06061	0.9
199.04012	7.5
200.04811	5.1
202.06355	1.1
204.04314	0.8
213.05707	0.9
214.06395	0.9
225.00734	0.8
227.03496	22.0
228.04288	11.5
255.23241	7.3
257.15506	7.7
281.15509	3.2
283.13400	24.2
285.15033	1.1
292.93631	0.6
297.15100	0.6
299.16473	7.9
301.14328	2.2
309.14926	10.8
311.12833	6.8
317.17667	1.2
325.14453	9.8
327.12344	2.9
327.16129	6.3
329.14142	1.0
335.12762	1.0
343.15674	4.6
344.10275	0.6
345.17172	0.9
353.13962	25.9
371.14999	6.0
469.33234	0.8
769.29749	2.4
963.50073	4.9
989.51025	0.8
1007.52197	100.0
1008.52606	7.2
1025.53040	5.3
1181.57751	4.0
1199.58557	47.0
1200.59192	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	1177.7757
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02432	0.2
92.10837	0.3
97.02936	0.4
101.02397	0.1
109.06574	1.5
113.02391	0.2
114.66779	0.1
126.45995	0.1
129.69923	0.1
163.11227	1.0
189.09175	0.4
207.10248	7.2
225.11302	2.2
225.18036	0.1
235.08232	0.6
242.11200	0.1
253.09253	1.4
267.80676	0.1
277.21695	13.0
278.22003	0.2
443.19241	0.7
455.35306	100.0
456.35739	2.7
461.20197	0.6
467.31613	0.1
513.30798	0.7
514.74133	0.1
703.40375	0.8
721.41730	9.7
877.68732	0.1
881.88354	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	1199.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	0.3
83.05019	0.4
85.02940	13.8
87.00859	3.1
89.02424	1.0
92.10078	0.7
93.03434	5.9
95.01374	1.1
99.00863	0.4
101.02412	1.8
109.02936	2.0
111.00962	0.3
111.04502	2.4
113.02433	1.0
125.02439	0.4
127.03986	3.8
132.10707	0.3
133.02841	0.3
135.04483	0.4
137.02406	0.5
146.08804	0.3
155.03526	0.4
156.05637	0.3
158.03662	0.3
159.04442	1.4
160.05257	0.5
161.02437	1.0
171.03018	1.0
171.04518	0.5
171.58264	0.3
172.05270	5.6
173.04501	1.6
173.05907	0.9
174.03200	1.3
182.03609	0.3
183.04515	1.6
184.05267	0.5
185.06059	1.3
186.03160	0.5
187.04002	2.2
191.05594	95.3
192.06053	0.4
197.06042	1.6
198.06790	0.5
198.63768	0.3
199.02139	0.6
199.03987	11.7
200.04794	3.9
201.05566	0.4
202.06409	0.4
204.04283	1.9
209.11797	1.1
211.03999	2.2
211.07535	0.4
212.04553	0.3
213.05586	0.6
213.65923	0.3
214.06349	1.2
221.06647	0.6
226.02617	0.4
227.03493	34.5
228.04268	17.8
229.04764	0.4
232.03717	1.0
239.07228	0.3
239.14427	0.4
246.05362	0.4
255.13927	0.5
255.23299	7.2
257.15674	0.3
265.12482	0.3
265.16049	0.3
267.13843	1.1
269.11826	0.3
277.21695	3.3
278.21979	0.4
281.11844	0.4
281.15387	1.7
283.13379	39.4
284.13708	1.1
285.14984	0.4
299.16397	1.2
301.14423	5.0
307.13507	0.4
309.14957	12.5
311.12897	12.3
311.16370	0.4
325.14496	5.9
327.12326	5.6
327.16046	7.0
329.14084	2.7
335.13016	0.6
343.15347	1.0
345.13278	1.4
345.17062	0.6
353.13940	32.7
354.14243	1.1
371.14999	6.8
445.18619	0.3
471.34814	9.1
472.34851	2.8
599.28949	0.5
599.79028	0.5
683.41840	0.3
712.42102	3.1
713.41962	1.4
725.26849	1.0
751.28485	0.4
769.29065	2.3
937.51794	0.6
948.92206	0.3
963.49872	9.6
964.50769	0.8
965.50806	1.7
979.53479	0.5
981.54291	1.8
989.51227	1.4
1007.52124	100.0
1008.52332	8.2
1025.53162	6.1
1026.54004	0.6
1055.66455	0.3
1181.57300	4.0
1199.58459	30.9
1200.58801	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	1175.7037
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05029	1.5
92.10841	1.1
93.03442	0.3
106.76561	0.2
116.18086	0.2
117.03438	24.4
119.04999	14.5
121.02911	1.5
123.04500	0.4
133.02927	0.4
145.02934	90.3
146.03302	1.1
162.03198	0.5
163.03996	2.8
177.01900	0.5
189.01907	0.4
191.05649	0.8
204.82419	0.2
217.01329	0.4
391.30008	0.3
419.29141	0.6
423.28821	0.3
455.31595	0.4
465.30048	1.4
467.31494	0.5
483.31134	2.3
485.32727	1.4
503.31583	1.0
511.30487	0.4
521.66357	0.2
543.33258	6.9
569.36371	3.4
587.28113	0.5
587.37396	11.3
588.37396	0.3
601.35852	0.3
609.55853	0.3
613.35059	1.1
631.36407	100.0
632.36816	6.3
643.29089	0.2
770.02380	0.3
1050.54187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.6716
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.6
82.95699	0.4
83.05024	2.4
85.02909	0.4
87.04517	0.5
89.02410	0.7
93.03417	0.5
97.02921	2.0
97.06567	0.8
101.02428	1.1
109.06573	9.5
113.02428	0.7
119.03528	0.4
121.06499	0.5
125.09715	0.8
135.08133	0.9
137.34232	0.4
157.28004	0.5
161.04559	0.6
162.31088	0.5
163.11279	6.8
165.12711	0.5
171.10216	0.6
173.23181	0.4
179.10524	0.5
181.12228	2.0
185.11751	0.8
189.09186	0.4
191.05632	2.4
191.81512	0.4
205.16045	0.5
207.10257	28.0
209.11830	40.7
210.12195	1.0
225.11325	14.1
227.12888	6.1
235.08139	0.9
249.11351	0.8
253.09291	3.4
363.26932	1.9
377.28561	1.0
379.30048	3.6
383.91135	0.5
385.28952	0.7
387.26373	0.6
387.30835	3.9
389.28766	0.5
391.30157	1.6
399.21674	2.8
401.28445	0.5
403.30258	0.6
407.29590	2.3
409.31216	10.4
410.31335	0.5
417.22797	2.3
419.29675	0.8
421.31290	7.2
423.32889	4.7
425.30649	9.3
439.32022	2.6
440.32755	0.6
441.33810	8.2
443.19214	2.5
445.20767	1.9
453.30157	5.2
455.31732	0.6
455.52884	0.5
457.33267	3.8
461.20325	4.5
467.31696	8.8
468.32190	0.5
473.32660	2.4
485.32703	38.3
486.33038	1.7
501.32504	0.6
502.32266	1.0
503.33786	100.0
504.34109	3.5
627.30383	0.7
635.30731	26.7
636.30920	1.7
653.31818	25.0
654.32281	2.1
671.32916	31.3
672.33771	2.3
832.14923	0.6
1199.77441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.4
83.05026	0.4
85.02409	0.1
85.02934	5.0
87.00855	2.5
93.03434	10.7
95.01357	0.1
96.95976	0.1
97.02912	0.1
99.00861	0.1
99.04496	0.3
101.02438	0.1
109.02931	0.6
111.04501	2.3
111.05245	0.1
113.02440	0.1
117.03436	0.8
119.05003	3.0
119.05829	0.1
125.02374	0.1
127.03994	2.0
129.01892	0.4
133.02945	0.1
134.26566	0.1
135.04626	0.1
137.02408	0.5
143.03517	0.1
145.02937	3.5
153.01793	0.1
155.03442	0.7
161.02380	0.1
163.03990	3.1
171.03000	0.6
173.04514	6.0
191.05595	100.0
192.05928	1.1
211.07631	0.2
215.07500	0.1
223.07619	0.7
237.09152	0.5
245.60020	0.1
247.07739	0.5
265.08679	0.4
283.09772	0.3
291.06641	0.1
308.75900	0.1
309.07791	0.6
327.08694	1.2
337.09283	1.9
369.06219	0.1
399.07166	0.1
457.14566	0.1
483.13037	0.6
501.13931	0.9
565.15887	0.5
609.14435	0.1
675.19318	47.6
676.19678	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	1173.6559
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	1.0
83.01330	0.7
83.04996	0.6
85.02945	0.9
89.02427	0.9
97.02930	1.3
97.06554	0.8
99.86588	0.6
101.02402	1.0
101.73618	0.6
109.06577	7.7
122.96516	0.6
125.09697	1.4
135.04401	0.6
135.08115	0.9
161.09668	0.8
163.11226	5.1
181.12312	0.8
191.05614	3.7
207.10257	21.9
209.11835	4.1
211.18336	0.6
225.11322	11.0
235.08148	0.6
253.09174	1.1
263.12708	1.2
305.38974	0.7
371.18527	0.9
377.28427	3.4
389.19687	0.8
391.30188	0.8
393.31769	4.7
397.20227	1.3
399.87360	0.6
409.30847	0.7
415.21167	4.4
419.29337	1.1
421.31082	3.2
423.32916	6.0
425.34128	3.3
433.22144	0.9
437.30597	0.9
439.32196	0.7
443.31555	3.3
453.29840	0.9
459.34402	1.0
461.20270	4.0
469.33380	5.5
471.30841	1.2
483.30753	0.8
485.32748	36.7
486.33084	1.3
489.24991	0.7
499.30649	0.7
502.31671	0.8
503.33804	100.0
504.34134	4.1
597.28955	1.0
607.27856	6.0
623.30817	1.0
625.28607	15.8
626.29187	0.9
633.29120	6.8
651.30243	44.3
652.30652	2.9
669.31171	20.2
670.31635	1.1
676.93317	0.7
705.81085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02930	0.8
87.00863	0.7
93.03449	2.7
96.56280	0.4
109.02922	2.1
117.03419	2.9
119.05013	0.5
133.02945	5.5
134.03696	1.8
135.04483	3.1
147.04533	0.4
149.02408	0.9
159.04454	1.1
161.02399	2.7
161.06081	0.5
163.03995	2.1
173.04549	0.5
175.03961	2.2
177.01926	1.0
177.05544	2.0
179.03383	0.6
187.04016	0.6
189.05585	1.1
191.03584	2.0
191.05580	12.9
192.05876	0.5
201.01985	0.6
203.03464	3.5
205.05003	1.0
207.08142	0.5
211.07620	0.5
215.03363	0.5
217.04962	0.7
223.07603	1.0
225.05464	0.5
233.04451	1.9
235.02261	0.5
239.07150	1.5
245.04424	0.6
249.05614	0.8
251.07137	0.9
253.04930	0.7
255.02837	0.5
265.04932	1.9
266.05850	1.0
267.06583	4.0
268.07294	0.7
269.04703	0.7
269.08237	0.6
279.06638	0.5
281.04492	0.8
282.05264	2.3
283.06079	3.8
284.07053	0.4
293.04535	1.9
295.06122	8.7
296.03693	0.5
296.06696	3.2
297.04007	3.1
297.07578	17.3
298.04865	7.1
298.07944	0.8
299.05533	3.5
307.06052	1.8
309.04163	0.9
309.07736	2.0
310.04761	0.6
311.05551	10.7
312.06369	9.6
313.07172	10.3
321.03928	2.7
323.05624	3.8
324.06256	0.7
325.07166	9.2
327.05038	4.2
328.05713	3.2
335.05585	2.0
337.03580	0.6
337.07077	3.2
338.04276	0.7
339.05075	34.2
340.05313	2.2
341.06580	7.7
344.05258	0.9
349.07098	0.6
351.05075	1.8
353.06662	39.6
354.07086	0.8
355.08401	0.7
356.05164	0.6
357.06204	0.9
365.06628	5.7
369.06131	44.4
370.06293	0.8
371.07703	0.7
381.06168	6.1
383.07709	28.6
393.06046	0.6
395.07837	4.8
399.07214	35.9
399.31937	0.5
400.07526	1.9
407.07684	0.6
409.09540	0.6
411.07220	4.6
413.08762	5.2
419.07413	0.7
423.07227	1.0
425.08844	2.2
429.08273	8.6
441.08203	2.7
453.08154	2.5
455.09653	1.0
459.09293	2.7
471.09506	3.4
473.10880	8.0
489.10394	12.3
489.17300	0.5
503.12039	2.6
513.10358	24.7
514.10773	2.4
515.11322	0.8
519.11438	1.9
556.22681	0.5
579.13568	100.0
580.14008	3.8
593.15125	73.0
594.15100	3.2
691.19202	0.8
705.17151	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	1171.48
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	1.0
83.01379	0.3
83.05022	1.3
85.02937	15.7
87.00854	3.7
89.02421	1.8
93.03435	7.4
95.01357	1.2
95.04951	0.2
97.03001	0.2
99.00849	0.4
99.04493	0.4
101.02432	3.6
106.98968	0.2
108.02168	0.3
109.02937	3.0
109.32053	0.2
111.00874	0.3
111.04505	2.3
113.02436	2.2
115.03979	0.2
119.03464	0.5
120.99615	1.9
125.02436	0.5
127.03989	4.5
135.04498	0.5
137.02420	1.2
143.03424	0.3
143.04991	0.3
146.03720	0.3
155.03529	0.3
156.05742	0.3
158.03743	0.3
159.04462	2.2
160.05281	1.0
161.02399	0.9
161.04515	0.5
163.11276	0.4
165.05588	0.3
171.02974	1.3
171.04495	1.0
172.05284	8.2
173.04512	2.1
173.05940	0.9
174.03224	0.4
182.05844	0.3
183.04541	1.6
184.05179	0.3
184.45850	0.2
185.06120	1.8
186.06833	1.0
187.03995	1.7
191.05597	100.0
192.05945	1.0
196.05304	0.3
197.06116	2.3
198.03212	0.5
198.06821	0.5
199.02133	0.5
199.03998	16.2
200.04776	7.2
201.05531	1.7
202.06360	0.5
204.04263	2.3
209.11818	7.9
210.06773	0.3
211.03987	2.3
211.07527	0.3
213.05557	2.1
214.06297	1.5
221.06612	1.1
224.04807	0.4
225.05583	0.3
226.02710	1.2
227.03488	48.1
228.04254	20.4
229.04767	0.3
230.05635	0.4
232.03706	1.7
239.14453	0.4
242.05788	0.5
246.05347	0.4
255.13873	1.0
257.15558	0.5
261.95065	0.3
267.13843	1.5
274.04984	0.4
281.15466	1.0
283.13376	52.7
284.13733	1.2
285.14890	0.6
289.14481	0.3
297.15240	0.3
301.14444	8.8
307.13416	1.1
309.14969	12.3
310.15237	0.4
311.12881	18.0
312.13080	0.3
325.14450	6.4
327.12363	7.6
327.16092	6.6
329.13928	4.2
335.12875	1.7
339.16010	0.4
343.15604	1.2
345.13428	1.8
345.17059	0.5
351.12686	0.5
353.13947	36.7
354.14337	1.2
369.13437	0.4
371.10318	0.4
371.15005	10.5
399.23895	2.6
400.24191	1.2
417.24850	1.7
418.25391	1.2
427.17615	0.4
445.18457	0.4
459.25873	3.6
460.26453	2.5
503.33841	0.5
504.34387	1.3
505.34903	0.3
537.22577	0.3
667.39069	0.5
725.27783	1.2
736.23340	0.3
736.69171	0.3
743.31152	0.3
769.29095	3.2
800.84918	0.3
909.41364	0.8
935.39252	11.7
936.39227	0.5
937.41248	0.4
953.43823	1.9
961.41083	1.8
979.41742	87.6
980.41998	6.4
997.42719	5.3
998.43604	0.4
1171.48145	33.1
1172.48315	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	1169.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05047	1.1
85.02937	16.4
87.00865	3.3
89.02432	0.6
93.03440	9.6
99.04521	0.8
100.43202	0.5
101.02448	0.7
109.02956	3.6
109.06581	1.3
111.04512	1.0
113.02444	0.7
120.99646	1.4
125.02443	2.4
127.04007	3.2
128.80719	0.6
133.02893	0.8
135.04526	1.3
137.02419	1.0
149.85321	0.6
159.04494	2.6
171.02966	0.9
171.04436	0.7
172.05237	7.0
173.04509	1.4
173.05934	0.9
174.03148	0.9
177.01912	0.6
183.04517	1.1
185.06113	0.8
187.04024	2.3
191.05608	100.0
192.05948	0.7
196.05363	0.8
197.06078	0.9
198.06911	0.6
199.04031	10.6
200.04826	5.4
202.06287	0.7
204.04311	2.3
207.10324	5.5
209.11839	0.6
211.04013	1.2
211.07642	1.2
212.04741	1.1
214.06377	0.9
221.06633	1.1
225.11301	2.4
226.02634	0.7
227.03497	31.5
227.06883	0.8
228.04254	11.6
240.04308	2.4
242.05907	0.6
246.86057	0.6
267.14011	0.8
283.13391	39.0
285.04010	0.7
299.16486	0.7
301.14365	7.7
307.13153	0.8
309.14911	15.8
311.12924	14.3
325.14417	5.8
327.12335	7.4
327.16025	5.2
329.13992	3.6
335.12643	0.7
343.15341	0.7
345.13669	0.8
351.12469	6.1
353.13934	27.5
369.13385	1.4
371.14984	8.7
425.30783	1.0
503.33881	0.8
517.31909	1.0
645.60364	0.6
684.40100	0.6
725.26434	1.1
733.83746	0.7
769.29150	2.8
933.38184	8.7
939.22906	0.7
959.39575	1.4
977.40149	79.3
978.40851	4.0
995.41125	4.6
1151.44568	2.7
1169.46436	22.3
1170.45789	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	1169.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.8
83.05008	0.8
83.85088	0.5
85.02940	7.2
87.00845	6.1
88.90308	0.5
89.02436	0.8
91.05519	0.5
93.03436	31.1
95.01357	0.7
95.05002	0.6
99.00867	0.8
101.02396	0.7
105.03431	4.5
107.05042	1.0
108.02183	0.9
109.02943	6.1
111.04495	5.5
120.09884	0.6
121.02942	2.9
122.03717	1.2
123.04514	1.3
124.01656	3.1
124.21161	0.6
125.02419	2.2
127.03997	2.2
132.02142	3.1
133.02931	32.2
134.03757	6.0
135.04506	74.0
136.05292	0.6
137.02419	3.1
139.03990	0.8
147.90201	0.7
149.02438	1.0
150.03169	3.9
151.03990	6.6
155.03468	1.3
160.01622	2.4
161.02428	8.6
162.03244	0.7
163.03989	0.7
173.04520	9.6
174.03200	0.6
177.01918	7.2
178.02733	4.1
179.03481	18.8
187.03970	0.6
189.05498	0.6
191.05597	70.1
207.10249	3.3
211.13428	0.7
215.05585	6.7
225.11269	1.1
227.03490	0.7
283.13480	0.8
301.14456	0.6
307.07977	0.8
309.14999	3.2
325.14334	0.7
327.15924	4.0
351.07492	5.6
353.13998	4.1
371.14978	0.9
602.14923	0.6
691.46387	0.6
824.37341	0.6
846.99213	0.7
959.39490	0.7
977.39996	16.9
995.40808	1.9
1151.46399	1.7
1169.46509	100.0
1170.46790	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	1157.6592
Annotation	Unknow
Peak:m/z	Relative Intensity
109.06599	4.3
120.61945	0.9
121.84367	0.8
135.08157	1.1
145.79320	0.8
163.11224	3.3
191.05540	2.0
207.10265	12.9
209.11784	4.2
211.13379	15.9
225.11307	7.6
379.30038	4.1
383.22394	1.6
391.29956	5.0
393.27969	1.0
401.23370	4.0
409.30865	3.8
441.30124	3.6
443.19080	0.9
461.19940	1.7
471.31363	0.9
483.31189	27.7
501.32239	100.0
502.32434	4.3
619.30896	1.6
637.32318	27.1
655.33075	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	1159.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02945	0.2
89.03911	0.1
93.03465	0.2
94.04253	0.1
95.01376	0.2
96.96015	0.1
97.02950	0.2
105.78636	0.1
107.01411	0.3
109.02932	2.0
111.00806	0.2
111.04517	0.1
119.05051	0.2
121.24156	0.1
123.04528	0.2
125.02460	0.2
125.91080	0.1
131.04988	0.2
132.02144	0.1
133.02922	7.1
134.03714	0.6
135.04491	1.2
135.05373	0.1
137.02446	0.2
145.02959	0.2
147.04503	0.5
149.02444	0.8
149.06123	0.3
151.04001	0.7
153.13966	0.1
159.04480	0.3
161.02420	0.8
161.06061	0.5
162.03288	0.1
163.00378	0.2
163.03941	0.9
165.01868	0.5
173.02415	0.3
173.06000	0.2
174.03217	0.2
175.03995	2.4
177.01912	2.0
177.05563	1.1
179.03485	0.7
187.03963	0.4
189.01862	0.2
189.05589	0.6
190.02744	0.2
191.03764	1.3
191.05580	1.2
193.05095	0.2
199.04002	0.4
201.01913	1.1
201.05537	0.2
203.03490	1.5
205.01408	1.2
205.05045	0.7
207.02989	0.2
211.04008	0.2
212.04745	0.2
213.05554	0.8
214.02605	0.2
215.03563	0.8
217.01410	0.1
217.05110	0.9
219.02962	0.2
221.04593	0.2
223.07611	0.2
224.04785	0.1
225.05554	0.5
226.06340	0.2
227.03494	0.7
229.01320	0.1
229.05020	0.6
231.02957	0.2
233.04517	0.9
235.02524	0.6
238.06288	0.1
239.07123	0.6
240.04312	0.2
241.05106	0.6
242.02110	0.2
243.03033	0.2
243.06474	0.2
245.04578	1.0
249.05460	0.2
252.04324	0.2
253.05029	0.5
254.05870	0.3
255.03044	0.5
255.06590	0.6
257.04504	0.6
265.04935	0.7
266.05933	0.2
267.06537	1.1
269.04611	0.7
269.08075	0.2
270.05692	0.2
271.02475	0.2
275.05637	0.3
279.06686	0.2
281.04587	0.6
281.08035	0.2
282.05325	0.5
283.06116	1.8
284.03629	0.3
284.06891	0.7
285.04025	0.8
285.07388	0.2
293.04565	0.6
294.05383	0.3
295.06116	0.9
295.09128	0.1
297.04037	3.9
297.07184	0.2
298.04794	10.2
299.05548	4.6
307.06168	0.2
307.33517	0.1
309.04071	1.7
309.07611	0.4
310.04825	1.5
311.05591	9.6
312.06387	11.3
313.07166	10.5
313.10919	0.2
314.07550	0.2
319.05804	0.1
321.04083	0.5
323.05557	2.7
324.02686	0.2
324.06555	0.5
325.03690	0.3
325.07144	2.1
326.04373	0.2
327.05096	6.1
327.08984	0.2
328.05313	0.2
330.03864	0.6
335.05692	0.3
337.03632	0.3
337.07230	0.4
338.04266	0.6
339.05072	15.1
340.05542	0.2
341.06635	7.6
342.03680	0.2
342.07166	0.2
344.05380	1.7
351.05029	1.7
353.06619	4.5
355.04440	0.2
355.08450	0.2
357.06183	2.4
363.05334	0.2
365.06586	0.6
366.03922	0.3
367.04416	0.9
369.06128	45.1
370.06522	1.1
371.07684	1.1
377.06610	0.2
379.04205	0.2
381.06171	7.3
382.06854	0.2
383.07697	1.0
393.06104	0.7
395.07849	1.1
397.05676	0.7
399.07190	43.1
400.07544	1.3
405.06149	0.5
411.07205	6.4
413.08795	0.7
423.07227	2.3
425.08868	0.4
429.08249	12.9
430.08798	0.2
435.07220	0.3
441.08234	7.8
442.08279	0.2
453.08240	1.2
459.09305	17.1
460.09665	0.6
465.08374	0.6
471.09225	2.4
483.09677	0.4
489.10349	6.5
501.10577	0.7
519.11371	0.6
561.12494	1.0
579.13556	100.0
580.13959	3.0
702.81445	0.1
1007.69086	0.2
1050.33069	0.2
1147.51099	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	1149.7805
Annotation	Unknow
Peak:m/z	Relative Intensity
83.65017	0.4
103.73882	0.3
113.98623	0.3
121.25167	0.3
133.45895	0.4
148.57758	0.4
197.11827	1.5
219.49490	0.4
255.98100	0.4
273.27280	0.4
277.21701	1.6
433.94931	0.4
455.35291	100.0
456.35556	3.5
539.63452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0035
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.04259	0.7
58.32718	0.9
58.98203	0.9
60.68399	0.9
64.72277	0.8
66.54142	1.0
71.01372	100.0
74.04436	1.1
82.74800	1.0
91.96055	1.2
115.00356	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	1153.7394
Annotation	Unknow
Peak:m/z	Relative Intensity
82.66467	0.2
85.02934	1.1
93.03440	1.0
94.30576	0.3
123.23154	0.2
126.50446	0.2
127.30764	0.2
133.02951	1.0
135.04488	1.5
173.04581	0.3
177.01900	0.4
179.03439	0.4
191.05598	4.6
227.03493	0.3
298.43246	0.2
357.25912	1.2
359.27591	0.8
373.24969	0.5
378.51691	0.3
389.28555	2.7
391.30298	1.6
393.31989	0.4
406.28668	0.3
407.29565	7.4
409.31018	2.0
419.29492	1.3
421.31161	0.6
423.32999	0.4
425.30679	1.1
437.30392	0.4
439.32251	0.6
441.33682	1.5
453.30270	1.0
457.33206	4.1
459.34702	0.3
467.31412	0.3
473.32755	0.4
485.32623	2.4
487.34360	4.7
488.34229	0.3
501.32678	0.4
503.33780	100.0
504.34277	3.6
957.36176	0.3
961.40698	1.3
1036.48547	0.3
1153.46570	2.4
1153.73767	4.7
1154.48328	0.8
1154.72986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
93.57391	0.7
95.05010	1.0
109.02943	15.8
117.03463	4.0
119.04988	1.8
119.89163	1.0
123.04484	10.1
133.02950	7.1
145.02921	1.6
146.03691	0.9
147.04446	5.9
150.22110	0.8
151.03972	5.9
159.04480	1.6
161.02425	4.8
161.06068	1.5
172.05255	1.4
175.04015	3.4
176.01178	1.1
176.04770	10.0
177.01906	39.0
187.04053	1.7
189.01907	92.2
190.02675	12.0
191.03488	15.3
191.05327	2.1
201.01920	3.5
203.03485	8.5
212.04796	1.2
216.00615	23.0
217.01416	58.2
217.12344	3.5
218.02158	1.0
219.02995	17.2
225.68575	0.8
229.01427	9.9
231.02974	13.3
233.04395	1.0
277.21765	1.1
283.13391	7.4
284.83075	0.9
287.05557	1.4
301.14395	10.1
313.14294	1.0
319.15451	1.1
323.05551	1.7
337.14337	1.6
341.06662	100.0
342.06952	1.8
372.06430	1.5
515.17712	1.4
708.38806	0.9
788.52753	1.0
797.44666	1.2
815.45911	10.9
1029.48535	14.7
1047.49805	1.3
1121.27917	1.2
1139.52161	14.9
1157.53015	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	1149.708
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05007	3.4
97.06594	0.1
111.04484	0.1
119.08608	0.1
191.05566	0.4
221.13353	0.2
259.73944	0.1
290.75662	0.1
305.22537	0.1
323.23788	0.1
325.25446	0.4
341.24857	0.6
353.24930	2.1
355.26883	0.1
361.25137	0.1
371.27069	0.1
373.27554	2.8
375.26993	0.2
377.28384	0.1
385.25449	0.1
387.26889	0.4
389.24539	0.1
389.28961	0.2
391.29977	0.4
399.26935	0.5
401.28574	0.1
405.27902	1.1
407.29520	0.4
409.31235	0.2
415.26233	0.2
417.28021	1.4
419.29596	2.1
421.27258	0.4
423.29053	0.9
425.30524	0.4
427.32156	1.8
429.30026	1.6
433.27560	0.2
435.28970	0.4
437.30496	1.0
439.32083	0.4
441.30026	0.6
451.28531	1.9
453.30231	0.2
455.31537	0.1
457.33359	3.2
465.30325	0.2
467.31631	0.5
471.31152	2.2
481.29745	0.1
483.31146	27.2
484.31271	1.1
485.26279	0.2
485.32681	5.0
486.32959	0.1
489.32141	1.9
500.31223	0.1
501.32224	100.0
502.32578	3.8
647.38220	0.1
704.63330	0.1
1149.70850	4.0
1150.70886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7265
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05045	0.2
81.03437	3.4
83.01367	0.6
83.05009	10.4
85.02939	2.2
87.00877	0.2
89.02428	0.7
92.10136	0.2
95.01385	0.2
99.00874	0.6
100.07651	0.1
101.02418	3.6
101.38274	0.1
107.06139	0.2
108.04572	0.2
113.02440	2.1
119.03468	0.4
125.02415	0.2
125.07150	1.1
126.05582	0.2
126.33007	0.1
143.03479	0.1
143.08199	0.2
159.02975	0.5
161.04504	1.7
191.05597	0.8
199.18234	0.2
207.15013	1.3
224.17682	2.3
225.16066	12.7
226.16331	0.1
242.18692	0.6
250.15512	0.1
255.03008	0.1
268.16312	0.1
283.02322	0.1
290.22339	0.1
309.21848	0.9
324.26773	0.7
333.22937	0.8
339.27487	0.2
341.29160	1.0
367.27109	1.6
373.22269	3.6
374.23068	0.1
385.28247	0.4
415.23376	6.7
416.24490	0.1
433.31519	1.4
450.34418	1.8
451.32892	10.1
452.33151	0.2
492.36108	0.1
535.38660	0.2
550.43561	1.4
559.39874	0.7
565.44312	0.5
567.45905	0.2
593.44086	1.1
659.48645	3.8
677.49707	100.0
678.49976	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	1139.7387
Annotation	Unknow
Peak:m/z	Relative Intensity
109.11438	0.7
117.03421	3.4
119.05014	4.9
121.02947	12.2
133.02936	1.2
135.04506	1.4
145.02934	9.7
150.47263	0.7
159.26825	0.8
161.02446	1.8
188.10374	0.8
191.05629	1.8
200.10347	0.8
469.33322	3.1
487.34280	100.0
488.34723	4.7
589.39185	0.8
607.25201	0.8
633.38275	13.0
649.37360	3.0
650.37311	1.8
651.38904	19.6
764.70612	1.0
1052.13208	0.8
1108.56616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
79.83209	0.2
83.01420	0.2
85.02960	0.4
87.08032	0.2
93.03469	1.0
107.01347	1.4
108.02200	1.2
109.02970	1.1
113.02377	0.2
119.01395	0.3
121.02937	1.0
125.02437	0.3
133.02919	0.2
135.00870	0.4
135.04520	0.3
137.02458	0.2
148.01685	0.8
149.02364	0.2
151.00371	7.3
151.01588	0.3
152.01106	0.2
153.01808	0.2
159.04462	0.2
161.02383	0.7
162.83650	0.2
163.00391	1.8
164.01181	0.2
169.01389	0.3
173.04512	0.3
175.03830	0.2
177.01794	0.3
178.99832	3.0
187.04152	0.6
191.05617	6.9
192.05931	0.3
199.03967	0.7
203.03473	0.3
206.78674	0.2
211.04039	1.0
215.03534	0.4
216.04369	0.2
226.02747	1.5
227.03499	3.3
228.04271	0.3
229.01445	0.2
229.05040	1.1
239.03462	0.4
243.02968	9.2
244.03610	0.9
245.04599	0.9
254.02202	2.0
255.02982	27.7
256.03568	0.8
257.04691	0.3
266.01978	0.2
271.02469	57.2
272.03009	2.6
273.03937	0.4
283.02460	1.1
284.03308	1.6
285.03979	2.3
299.01944	1.4
300.02747	100.0
301.03455	21.1
301.08490	0.3
302.03894	0.3
342.03735	0.2
445.07651	2.3
449.14606	0.2
452.75699	0.2
463.08795	1.2
505.09885	76.6
506.10031	3.3
593.14856	2.0
617.72961	0.2
692.18909	0.2
693.19269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
62.40982	1.6
68.99564	100.0
69.03441	4.3
73.12328	1.6
85.02956	7.6
92.10767	4.1
97.46645	1.8
98.34106	1.6
107.85483	1.9
110.72923	1.8
112.98573	3.5
113.02418	3.3
113.06113	2.0
131.73203	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	1135.7061
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72119	0.9
78.95893	1.9
80.38040	0.8
117.03431	13.5
119.05007	10.5
145.02939	58.0
147.10672	0.9
191.05617	4.1
205.15984	1.0
209.38213	0.9
241.01050	1.4
258.10522	1.0
325.25339	1.3
377.28513	1.4
393.31653	5.1
395.29346	1.7
411.32599	1.6
421.31171	2.1
437.30551	0.9
439.32248	3.9
457.33252	82.1
458.33835	1.8
469.33063	1.7
483.30664	1.4
501.32242	53.7
502.32089	1.1
589.39069	1.1
633.37976	100.0
634.38562	6.9
697.47882	1.1
900.99390	1.0
1135.49170	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	1137.7228
Annotation	Unknow
Peak:m/z	Relative Intensity
80.31123	0.9
83.05009	1.2
92.10142	2.8
93.03456	1.4
117.03439	19.2
119.04996	57.2
121.02929	54.2
145.02931	68.9
163.03944	1.6
191.05626	1.6
423.32529	1.4
467.31705	1.1
487.34482	13.3
498.42661	0.9
511.30591	7.2
527.33453	1.4
548.45355	1.0
569.36475	17.3
587.37646	8.6
605.38849	1.3
631.36310	14.6
648.35468	1.4
649.37488	100.0
650.37909	7.2
733.76471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
67.01874	0.3
68.99562	100.0
69.03439	4.2
69.99894	0.3
70.30228	0.2
71.56321	0.1
72.99288	1.4
82.52369	0.1
85.02943	0.8
93.21112	0.1
112.00129	0.1
112.98570	4.0
113.02438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9855
Annotation	Trifluoroacetic acid
Peak:m/z	Relative Intensity
55.74478	0.1
55.79788	0.1
68.99564	100.0
69.03449	0.6
69.24168	0.1
69.99920	0.2
71.00169	0.1
72.99280	0.6
85.02946	0.1
88.00925	0.1
112.98555	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	1127.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01880	0.2
81.22610	0.1
83.01369	0.1
85.02953	0.1
87.00862	0.1
92.10097	0.4
93.03426	0.9
93.17854	0.1
95.01373	0.1
114.00122	0.1
116.49066	0.1
117.03438	3.0
119.05013	0.6
123.04507	0.1
125.02375	0.1
126.45470	0.1
131.04996	0.1
133.02972	0.1
133.06567	0.2
135.04501	1.3
137.02409	0.2
145.02969	0.2
147.04503	0.6
148.01755	0.1
149.02390	0.8
149.06029	0.1
151.03934	0.2
159.04482	0.6
161.02412	1.8
161.06064	0.1
162.03174	0.1
163.03989	1.2
169.06476	0.1
173.02354	0.1
173.05984	0.2
175.03983	1.3
177.01889	0.5
177.05568	0.9
179.03448	0.6
183.04413	0.1
185.02402	0.1
187.03975	0.4
189.01912	0.5
189.05568	0.4
191.03497	1.6
191.05588	1.8
192.05890	0.1
193.05000	0.2
197.06012	0.2
199.04047	0.1
203.03477	1.3
205.01419	0.1
205.05055	0.8
209.06133	0.1
211.07655	0.1
215.03510	0.2
217.01218	0.1
217.05034	0.5
221.04530	0.4
223.07706	0.2
224.08443	0.2
225.05750	0.1
227.03609	0.2
231.02921	0.2
233.04539	0.8
237.05515	0.2
238.06465	0.1
239.07109	0.1
245.04565	0.7
251.07111	0.4
253.04921	0.2
253.08667	0.7
254.05853	0.1
257.04504	0.1
263.05435	0.2
267.06561	0.7
268.07373	1.0
269.04608	0.2
269.08075	0.2
277.05069	0.1
279.06549	0.7
281.04422	1.2
282.05289	2.3
283.06113	3.9
284.06647	0.1
293.04636	0.4
293.08185	0.4
294.05402	0.2
295.06088	4.8
296.06833	2.3
297.07657	20.6
298.07944	0.5
305.04639	0.2
306.05212	0.2
307.06140	2.2
308.06683	0.2
309.07672	2.5
310.08008	0.1
311.05554	3.8
314.04294	0.1
319.06088	0.2
321.03909	0.4
321.07632	0.5
322.04669	0.5
323.05615	4.6
323.09012	0.3
324.06387	0.8
325.07172	7.8
326.07565	0.1
328.01944	0.2
328.05881	4.8
333.07745	0.1
335.05634	1.7
337.07144	3.6
339.08807	0.5
341.06610	0.7
347.05438	0.2
349.07248	0.2
351.05121	0.6
351.08994	0.1
353.06650	37.2
354.06992	1.3
355.08170	0.9
356.05365	1.3
361.07208	0.1
363.05060	0.2
365.06641	5.4
366.06668	0.2
367.08109	0.7
377.06564	0.5
379.08194	0.6
381.06082	0.7
383.07706	29.3
384.08029	0.7
389.06839	0.2
391.07947	0.2
395.07651	4.3
397.09299	0.7
407.07513	0.8
409.09470	0.2
413.08768	4.8
413.14255	0.2
419.07727	0.3
425.08759	2.1
427.10028	0.1
437.08539	0.7
443.09824	14.4
444.10056	0.2
446.08691	0.1
455.09781	1.5
467.10101	0.2
473.10825	10.3
474.11301	0.2
485.10858	1.2
503.11911	1.0
515.11548	0.2
527.11615	0.2
545.12799	0.7
563.14044	100.0
564.14410	3.3
962.20862	0.1
1090.42346	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	1119.7131
Annotation	Unknow
Peak:m/z	Relative Intensity
117.03445	17.8
119.04996	10.8
121.02916	0.9
123.04519	0.3
133.02916	0.3
145.02936	70.2
146.03276	1.0
147.04517	0.1
162.03165	0.6
163.04005	1.0
171.68350	0.2
191.05576	0.6
334.22910	0.1
409.31290	0.3
428.15378	0.2
455.31519	0.2
469.33109	1.9
485.32825	2.4
487.34653	0.3
513.32275	1.6
571.37262	0.3
587.37158	0.2
589.38849	2.7
633.37976	100.0
634.38354	4.4
634.48181	0.3
650.38995	0.2
1051.73608	0.2
1123.80249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03444	0.9
83.05040	0.4
85.02931	1.9
85.83765	0.2
87.00853	6.6
91.05511	0.2
93.03436	32.2
94.03765	0.3
97.02934	0.3
97.06588	0.4
99.00887	0.4
99.04473	0.2
105.03461	0.3
107.04995	0.3
108.02169	2.6
108.58083	0.2
109.02930	1.7
111.00860	0.4
111.04501	4.6
113.02376	0.3
115.03955	0.2
119.05016	0.2
121.02924	2.9
122.03754	1.7
123.00815	0.2
123.04470	0.3
124.01628	8.1
125.02415	3.7
126.03181	1.4
127.03990	0.8
129.01907	1.0
132.02109	0.6
133.02937	4.4
134.03714	14.8
135.04498	100.0
136.05275	1.7
137.02432	2.2
139.03995	0.4
143.03493	0.2
146.05792	0.3
150.03212	5.5
151.00441	0.2
151.03990	14.8
155.03485	0.9
160.01636	2.0
161.02426	2.7
161.06038	0.3
162.03171	0.9
163.03949	0.7
167.03450	0.4
171.03036	0.2
173.04521	8.3
177.01868	1.5
177.05493	0.3
178.02682	1.3
179.03467	26.8
180.04184	1.8
181.04994	0.4
189.05522	0.3
191.05585	18.4
192.05968	0.3
194.02206	1.0
212.78174	0.2
215.05537	0.3
229.08492	0.2
257.08136	3.5
275.09265	3.3
289.06958	0.2
290.07834	0.8
306.07413	0.4
307.08218	6.2
308.08997	11.4
309.09283	0.2
323.07611	0.8
351.07330	1.0
352.07983	38.8
353.08426	1.1
449.14536	61.9
450.14841	2.2
595.80371	0.2
1014.47821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6971
Annotation	Unknow
Peak:m/z	Relative Intensity
78.20078	0.4
83.05016	1.5
92.10841	0.7
104.40205	0.4
116.92828	0.6
117.03441	20.0
119.04998	14.5
121.02943	0.6
123.04486	0.5
136.46246	0.4
145.02939	79.1
146.03319	0.6
162.03186	0.5
163.04004	0.7
191.05591	0.9
268.81674	0.4
323.08841	0.4
467.31689	1.5
485.32816	5.7
569.36505	2.6
587.37372	9.9
631.36420	100.0
632.36963	3.3
939.25256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6969
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	0.1
81.84530	0.1
82.09746	0.1
83.05006	1.5
83.43253	0.1
89.03941	0.3
93.03435	0.2
97.06564	0.1
117.03441	24.6
119.04996	15.0
121.02925	1.7
123.04469	0.6
129.25012	0.1
133.02934	0.5
134.03616	0.1
137.09752	0.1
145.02934	87.3
146.03291	0.9
147.04485	0.1
162.03172	1.0
163.03984	1.4
187.50360	0.1
191.05565	0.4
270.07474	0.1
337.25308	0.4
367.48944	0.1
423.32980	0.1
437.30585	0.2
455.31522	0.9
467.31665	0.6
485.32648	2.3
503.31836	0.5
511.30228	0.8
515.31488	0.1
517.29669	0.1
569.36285	1.9
587.37421	10.3
588.37848	0.4
601.35461	0.5
613.35071	0.5
631.36414	100.0
632.36780	3.2
903.54492	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	111.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14366	1.0
55.01880	49.4
66.36519	1.5
67.01887	43.7
73.82560	1.3
75.23135	1.3
78.95890	60.3
83.01377	100.0
100.38281	1.7
110.97557	12.7
111.00875	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0086
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.81653	1.2
54.91453	1.1
55.01879	32.3
57.08631	1.0
59.65693	1.0
66.04984	1.0
67.01891	56.2
78.95906	9.5
82.27886	1.1
83.01389	62.4
111.00873	100.0
112.01121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03444	0.9
83.05040	0.4
85.02931	1.9
85.83765	0.2
87.00853	6.6
91.05511	0.2
93.03436	32.2
94.03765	0.3
97.02934	0.3
97.06588	0.4
99.00887	0.4
99.04473	0.2
105.03461	0.3
107.04995	0.3
108.02169	2.6
108.58083	0.2
109.02930	1.7
111.00860	0.4
111.04501	4.6
113.02376	0.3
115.03955	0.2
119.05016	0.2
121.02924	2.9
122.03754	1.7
123.00815	0.2
123.04470	0.3
124.01628	8.1
125.02415	3.7
126.03181	1.4
127.03990	0.8
129.01907	1.0
132.02109	0.6
133.02937	4.4
134.03714	14.8
135.04498	100.0
136.05275	1.7
137.02432	2.2
139.03995	0.4
143.03493	0.2
146.05792	0.3
150.03212	5.5
151.00441	0.2
151.03990	14.8
155.03485	0.9
160.01636	2.0
161.02426	2.7
161.06038	0.3
162.03171	0.9
163.03949	0.7
167.03450	0.4
171.03036	0.2
173.04521	8.3
177.01868	1.5
177.05493	0.3
178.02682	1.3
179.03467	26.8
180.04184	1.8
181.04994	0.4
189.05522	0.3
191.05585	18.4
192.05968	0.3
194.02206	1.0
212.78174	0.2
215.05537	0.3
229.08492	0.2
257.08136	3.5
275.09265	3.3
289.06958	0.2
290.07834	0.8
306.07413	0.4
307.08218	6.2
308.08997	11.4
309.09283	0.2
323.07611	0.8
351.07330	1.0
352.07983	38.8
353.08426	1.1
449.14536	61.9
450.14841	2.2
595.80371	0.2
1014.47821	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7337
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05003	0.3
92.97744	0.2
116.61213	0.2
117.03440	19.0
117.95428	0.2
119.05000	11.0
121.02931	1.3
123.04472	0.3
131.40025	0.2
145.02939	76.0
146.03299	0.5
162.03206	0.3
163.04045	0.5
181.54555	0.2
191.05608	0.4
210.54765	0.2
331.59036	0.2
340.96426	0.2
407.33487	1.5
409.31235	0.4
442.36078	0.2
469.33240	2.0
471.34824	12.4
472.35410	0.4
482.97263	0.2
487.33987	0.3
513.32147	1.8
551.98584	0.2
589.38867	2.8
633.38000	100.0
634.38239	4.4
635.39313	0.3
846.22699	0.2
960.59485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7332
Annotation	Unknow
Peak:m/z	Relative Intensity
117.03445	19.8
119.05000	9.1
121.02903	1.0
123.04516	0.3
134.03741	0.2
141.24359	0.1
145.02937	72.8
146.03247	0.3
162.03244	0.3
163.03989	5.4
191.05606	0.2
258.65799	0.1
374.30276	0.2
409.31204	0.2
451.32388	0.3
453.33731	2.4
469.32968	0.8
471.34790	12.4
513.31909	0.7
533.92456	0.2
541.88104	0.2
571.37744	0.8
573.36176	0.3
589.39050	3.8
615.36853	3.6
633.37982	100.0
634.38287	3.8
668.30542	0.2
678.59320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01365	0.2
85.02958	0.4
93.03442	0.4
107.01447	0.2
109.02973	2.1
114.37350	0.2
125.02459	0.3
129.72543	0.2
133.02925	6.0
134.03682	1.0
135.04523	1.3
145.02933	0.3
147.04414	0.4
149.02415	0.6
149.06079	0.3
151.03969	0.5
161.02347	0.5
163.03983	1.2
169.96458	0.2
173.02504	0.3
173.04620	0.3
175.03951	3.1
177.01917	1.3
177.05595	0.6
179.03447	0.4
185.02432	0.3
187.03984	0.6
189.01877	0.4
189.05548	0.6
191.03517	1.2
191.05577	4.8
201.01929	1.0
201.05600	0.3
203.03574	1.7
205.01262	0.5
205.05096	0.4
207.03098	0.4
213.05547	0.4
217.05013	0.5
225.05638	0.5
226.06430	0.3
227.03484	0.5
229.04945	0.3
233.04504	0.9
235.02292	0.3
239.07227	0.5
241.04996	0.6
245.04541	0.5
253.04932	0.5
254.05803	0.3
255.03072	0.4
255.06537	0.3
257.04361	0.5
265.05188	0.5
267.06461	0.9
269.04453	0.5
269.08212	0.3
274.67142	0.2
281.04633	0.6
282.05246	0.3
283.06036	1.6
284.06931	0.3
285.04099	0.5
293.04553	0.5
295.06119	0.9
297.04083	4.0
297.07220	0.4
298.01404	0.4
298.04797	10.0
299.05566	4.2
303.13580	0.3
309.04034	1.6
310.04749	1.5
311.05618	8.2
312.06409	9.2
313.07147	9.8
321.03979	0.4
323.05634	2.1
325.03656	0.3
325.07104	1.8
327.05115	6.3
335.05679	0.3
337.03525	0.4
339.05093	14.3
340.05356	0.5
341.06668	7.8
344.05463	1.3
351.05109	1.3
353.06604	4.6
357.06152	3.0
365.06598	0.6
367.04608	0.5
369.06128	47.7
370.06509	1.5
371.07785	0.9
381.06131	5.6
383.07657	1.2
393.06137	0.3
395.07950	0.5
397.05661	1.0
399.07190	39.4
400.07410	1.4
411.07199	7.2
413.08582	0.4
423.07056	0.4
429.08255	9.5
435.07245	1.3
437.03577	0.3
441.08203	3.5
447.09177	0.4
453.08340	1.2
459.09265	1.2
465.08240	0.5
471.09100	2.4
483.09067	0.5
489.10373	16.5
490.10794	0.4
499.11072	0.3
501.10352	1.0
519.11536	4.1
531.10803	0.4
609.14661	100.0
610.15155	3.9
703.15375	0.5
707.19446	0.3
771.17664	0.3
1107.52893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.7181
Annotation	Unknow
Peak:m/z	Relative Intensity
80.50007	0.4
81.33308	0.4
89.54671	0.4
117.03441	21.3
119.04998	12.7
121.02914	0.8
142.25737	0.4
145.02939	77.4
146.03271	0.6
147.50281	0.5
161.27946	0.4
163.04027	0.6
191.05603	2.3
195.73694	0.4
294.99084	0.4
423.33044	0.6
425.34290	3.8
428.47531	0.5
439.31943	2.0
457.33508	5.5
469.33252	4.9
490.62378	0.5
513.32062	1.8
547.17584	0.5
589.38745	2.4
633.37946	100.0
634.38159	5.0
640.28516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7342
Annotation	Unknow
Peak:m/z	Relative Intensity
82.30914	0.5
104.09459	0.4
106.74809	0.5
117.03442	20.3
118.03741	0.7
119.04996	11.9
121.02922	0.9
126.22913	0.4
145.02936	69.9
146.03261	4.3
162.03317	0.4
163.04013	0.9
191.05617	2.2
204.29695	0.4
351.26837	2.6
353.28635	5.1
407.33194	4.5
423.32715	0.6
453.33902	0.9
466.27472	0.5
469.33093	1.0
471.34787	100.0
472.34946	3.5
479.35519	0.5
513.32324	0.9
589.38660	2.3
633.37976	80.6
634.38257	17.1
634.48126	0.7
635.38367	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	1099.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03460	0.8
83.05000	0.4
85.02924	1.8
85.54892	0.2
87.00856	7.1
88.95858	0.2
93.03436	31.1
97.02971	0.2
97.06573	0.4
99.00858	0.8
105.67705	0.2
107.05020	0.3
108.02168	3.0
109.02966	1.6
111.00894	0.8
111.04498	4.5
113.02439	1.0
116.80666	0.2
121.02939	2.0
122.03740	1.4
123.00854	0.3
123.04443	0.3
124.01639	7.9
125.02412	3.5
125.04424	0.2
126.03207	1.7
127.03980	1.0
129.01927	1.2
132.02177	0.5
133.02934	4.2
134.03714	16.1
135.04503	100.0
136.05287	1.7
137.02438	2.7
143.03470	0.3
146.05782	0.4
149.02425	0.3
149.06055	0.2
150.03206	5.2
151.03992	15.5
155.03493	1.1
160.01656	1.5
161.02411	3.8
162.03165	0.9
163.04012	1.0
167.03413	0.4
173.04524	8.4
175.03940	0.3
177.01912	1.4
178.02638	1.4
179.03473	28.3
180.04263	2.0
181.05022	0.8
189.05669	0.4
191.05589	18.8
194.02127	0.8
203.03488	0.2
205.05042	0.2
205.42897	0.2
212.03625	0.2
215.05539	0.3
257.08151	3.1
275.09140	3.1
289.07239	0.2
290.07922	1.1
306.07257	0.3
307.08212	6.0
308.09003	11.9
323.07715	0.3
351.07089	1.2
352.07977	39.2
353.08441	0.4
431.13507	0.2
449.14529	63.4
450.14758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
78.98584	2.4
79.95726	17.3
80.23671	1.2
80.96501	57.0
80.96973	1.9
85.02934	4.5
87.00890	2.2
93.03461	1.3
94.98066	13.7
95.01344	1.1
95.14775	1.2
96.96008	1.6
101.02435	1.7
106.98090	1.8
114.93394	1.3
116.92817	4.4
122.97584	2.5
125.02518	3.1
134.97569	6.8
136.99184	1.6
148.99110	7.2
152.98654	7.7
164.98607	16.8
172.05188	1.6
191.05557	16.2
199.03891	2.3
206.99693	5.4
225.00746	40.4
245.90610	1.2
283.13397	2.4
327.15958	1.5
353.14017	4.7
515.20831	1.3
537.27740	1.8
609.29620	1.6
883.45441	1.5
909.43793	8.8
1101.49365	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	1099.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	1.0
82.94962	0.2
83.05034	0.4
85.02943	2.2
87.00853	5.5
89.63491	0.2
93.03436	27.1
97.06552	0.3
99.00854	0.4
99.04468	0.2
107.05041	0.3
108.02161	2.5
109.02963	1.4
111.04497	4.3
113.02415	0.5
115.03949	0.3
120.53677	0.2
121.02925	3.0
122.03743	1.6
123.00845	0.3
123.04473	0.3
124.01637	7.3
125.02400	3.9
126.03205	1.2
127.03957	0.4
129.01895	1.1
133.02925	4.3
134.03709	13.5
135.04500	100.0
136.05373	1.8
136.75357	0.2
137.02435	3.2
139.03943	0.4
146.05807	0.4
149.02324	0.4
149.06039	0.3
150.03214	6.2
151.03992	15.7
153.01868	0.3
154.02547	0.5
155.03482	0.5
158.09634	0.2
160.01666	2.0
161.02408	3.5
162.03192	1.0
162.94705	0.2
163.03955	1.1
167.03494	0.4
173.04514	9.3
173.06007	0.3
175.03998	0.4
177.01909	1.9
177.05463	0.4
178.02715	1.4
179.03471	26.9
180.04198	2.3
181.04964	0.8
189.05576	0.3
191.05591	18.7
192.05830	0.4
194.02171	0.9
209.89539	0.2
213.09242	0.3
215.05501	0.2
245.08134	0.3
247.65005	0.3
257.08154	2.5
263.09082	0.3
275.09271	2.7
290.07996	0.8
306.07385	0.4
307.08252	5.5
308.08997	10.8
309.09485	0.4
323.07864	0.4
351.07095	1.4
352.07977	36.3
353.08334	0.3
440.41678	0.2
449.14529	70.6
450.14899	1.4
943.42401	0.3
1005.25354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.5
91.01860	0.1
92.10194	0.2
93.03421	0.1
107.01366	1.9
108.02169	1.1
109.02946	1.1
111.00829	0.1
118.11086	0.1
119.01391	0.1
120.16660	0.1
121.02921	1.8
124.01653	0.1
125.02422	0.1
125.73953	0.1
135.00854	0.7
147.00832	0.1
148.01605	1.0
149.02420	0.4
151.00349	9.3
152.41083	0.1
153.01840	0.1
159.04549	0.1
161.02409	0.1
163.00320	2.3
163.04034	0.1
164.01097	0.5
167.04941	0.1
169.01410	0.5
171.04504	0.1
175.04021	0.1
178.99820	4.4
183.04453	0.4
187.04002	0.6
190.99785	0.2
192.00606	0.4
192.27023	0.1
193.01305	0.1
199.03983	0.8
201.05547	0.4
203.03435	0.2
211.04010	0.9
213.05609	0.1
215.03563	0.5
216.04251	0.4
226.02750	1.1
227.03473	2.8
228.04272	0.4
229.01407	0.1
229.05074	0.8
239.03442	0.2
243.02957	9.2
244.03557	0.4
245.04536	1.2
254.02194	1.9
255.02965	27.3
256.03418	1.0
257.04581	0.2
266.02045	0.1
271.02454	55.5
272.03015	2.8
273.03934	1.0
283.02396	1.6
299.01965	1.2
300.02731	100.0
301.03479	31.0
302.03827	0.7
305.64420	0.1
343.04337	0.2
463.08844	2.2
505.09879	81.4
506.10162	3.2
507.09766	0.1
975.22217	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	1091.7383
Annotation	Unknow
Peak:m/z	Relative Intensity
79.73240	0.2
79.86978	0.2
83.01401	0.2
83.05029	0.3
83.86407	0.2
85.02967	1.2
86.00091	0.2
87.00883	0.2
89.02455	0.2
93.03466	1.1
98.60509	0.2
101.02418	1.5
131.03485	1.4
135.04533	1.8
191.05576	2.0
352.46588	0.2
369.28018	0.4
377.28281	0.4
393.31488	0.3
403.29739	0.3
405.31766	0.5
407.33115	0.9
416.23373	0.3
421.31277	0.8
423.32687	1.3
425.34225	1.2
427.31876	1.6
430.87988	0.2
437.30713	0.9
439.32025	0.4
441.33780	0.3
443.35330	1.6
453.33484	0.5
457.33075	0.2
467.31735	2.4
469.33200	15.5
470.33420	0.3
487.34274	100.0
488.34756	2.1
513.31744	0.2
532.29962	0.2
543.37030	0.9
585.37939	12.2
603.39026	79.5
604.39557	2.2
1091.50562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
80.28822	0.4
81.03487	0.7
83.05024	0.6
83.76650	0.4
85.02938	12.7
87.00861	1.8
93.03430	5.0
97.22428	0.4
99.04549	0.4
101.02497	0.5
101.52126	0.5
109.02977	1.7
111.04515	2.3
113.02396	0.5
113.47762	0.4
125.02470	0.6
127.04002	3.8
145.02872	0.8
158.03673	0.5
159.04514	2.7
161.06123	0.5
171.02969	0.6
172.05267	2.2
173.04552	1.5
173.05936	0.5
174.03204	2.4
184.05292	0.7
187.03983	6.6
188.04721	0.8
191.05598	100.0
197.05771	0.4
199.03966	2.7
200.04790	2.3
201.05615	0.9
202.06340	1.0
211.03888	0.8
227.03488	3.1
228.04189	2.7
277.21695	2.5
283.13385	13.2
299.12933	2.0
301.14401	3.5
309.14957	3.9
311.12863	6.9
317.13861	1.6
323.12930	0.5
327.16049	4.6
329.13925	2.7
341.17706	1.8
345.17093	0.5
353.13913	7.6
359.18829	1.7
371.14978	3.6
526.58136	0.4
607.23859	0.9
632.36932	0.5
823.45306	0.8
855.48395	2.9
867.45630	8.8
881.43652	2.8
885.46637	0.7
899.47943	45.9
900.47882	3.3
917.49115	2.3
999.52606	0.5
1049.78064	0.5
1059.51953	4.0
1091.53723	6.7
1129.24561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03424	1.5
83.05008	1.3
85.02940	14.9
87.00844	7.6
93.03435	32.8
105.03413	1.7
109.02950	2.3
109.79853	1.0
111.04499	6.5
114.92202	0.8
127.03990	3.8
129.01884	1.1
132.02159	1.5
133.02934	16.8
134.03700	2.0
135.04480	14.9
137.02415	1.6
151.03932	1.7
155.03545	1.4
159.04509	1.2
160.01630	1.6
161.02428	10.3
172.05246	1.3
173.04509	8.4
174.03180	3.6
177.01851	2.2
178.02704	1.7
179.03381	1.8
179.35947	1.0
187.03996	1.6
191.05595	100.0
192.05856	2.1
195.78012	1.1
202.06297	1.3
204.49271	1.0
209.11630	1.1
211.13269	1.0
215.05540	2.1
227.03410	1.6
231.13780	2.1
273.15149	2.2
277.21664	6.1
283.13361	12.1
299.12796	7.1
299.16083	1.0
301.14444	2.1
309.14859	1.8
311.12854	3.4
317.14127	1.4
325.14462	2.1
327.12234	4.2
327.16000	3.5
351.07288	1.6
351.12076	1.0
353.13977	2.4
388.52390	1.4
482.26907	1.3
702.71808	1.2
841.45941	1.2
856.72534	1.4
867.45441	14.3
884.42865	1.0
885.46399	29.0
886.47253	1.2
903.46881	1.3
1059.51599	47.7
1060.51660	1.6
1077.52332	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	1091.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02932	7.6
85.03402	0.3
87.00845	2.6
90.37987	0.3
93.03435	7.6
99.04531	0.3
104.94073	0.3
109.02932	6.7
111.04496	2.7
127.03986	2.3
129.01926	0.3
133.02939	0.4
135.04520	0.6
137.02460	0.6
145.02936	0.6
147.04538	0.4
155.03510	0.6
157.02960	6.0
159.04492	3.5
161.02434	2.0
173.02396	0.6
173.04527	4.9
174.03194	0.5
175.03978	1.2
176.61412	0.4
179.03439	0.5
185.02415	1.8
189.94963	0.3
191.05606	100.0
192.05962	1.5
193.06322	0.3
203.03432	1.3
219.02872	0.7
221.06100	1.2
225.05594	0.4
229.01402	48.5
230.01726	1.2
237.05545	1.1
238.06381	0.4
239.07018	0.6
248.04686	0.6
249.05499	2.4
253.05138	1.2
254.05896	0.3
257.04819	0.4
264.04187	1.7
265.04965	4.6
266.05679	0.6
267.06604	6.3
269.08176	1.6
272.06769	0.4
276.04077	1.0
277.05005	6.0
278.05826	1.1
279.03381	0.4
280.03641	0.5
281.04547	1.1
289.05762	0.4
292.03781	1.5
293.04523	13.4
294.05255	1.3
295.06091	12.6
296.06476	0.4
311.05563	1.9
313.07181	1.5
321.04028	23.4
322.04477	0.5
337.03644	2.0
338.04205	3.1
339.05084	32.7
340.05289	0.5
353.09143	0.8
359.07932	0.4
383.09766	0.4
513.10327	15.4
514.10693	0.4
545.12976	1.2
705.16742	20.1
706.17389	0.4
731.80786	0.3
736.18579	0.3
737.19348	56.0
738.19202	2.1
878.45093	0.3
1023.16321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05013	0.8
85.02938	15.3
85.03415	0.7
87.00854	4.2
89.02416	0.5
91.98096	0.5
93.03437	8.5
95.01406	0.7
98.55373	0.6
109.02953	1.3
109.13868	0.5
111.04529	0.9
127.03992	4.8
145.03056	0.6
159.04529	1.9
171.04433	0.7
172.05327	5.8
173.04546	2.1
174.03229	1.0
183.04503	0.7
185.06032	1.1
187.03990	1.0
191.05611	100.0
195.13905	0.9
199.04013	7.2
200.04800	3.1
201.05786	0.6
211.03912	0.9
214.06235	1.0
227.03494	28.0
228.04294	12.7
228.06375	1.1
255.13788	0.8
281.15604	0.7
283.13364	30.7
285.15012	0.7
293.21295	1.1
301.14432	5.0
309.14917	9.6
311.12888	9.5
325.14395	4.6
327.12280	2.5
327.16071	5.7
329.13965	2.4
353.13989	25.7
371.15070	5.3
393.47971	0.7
464.27261	0.5
501.32257	2.5
607.24182	4.3
760.03784	0.8
773.72198	0.7
839.42029	4.8
857.45789	1.1
865.43512	0.9
883.44824	79.3
884.45319	3.0
901.45660	5.8
1057.49573	2.5
1075.50989	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	1075.51
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03446	1.4
83.05021	0.9
85.02929	10.9
87.00855	11.0
87.01235	0.6
89.78415	0.7
93.03439	53.7
94.24268	0.8
99.04528	0.9
99.92544	0.6
105.03474	0.9
109.02955	5.1
111.04504	10.6
114.35630	1.0
121.02949	1.6
123.04471	0.9
124.01646	1.9
125.02429	1.5
125.30464	0.7
127.03947	3.0
129.02005	1.2
132.02161	4.0
133.02927	27.0
134.03720	8.6
135.04498	51.2
137.02434	5.1
139.03857	1.1
140.38911	0.8
149.02426	0.8
150.03200	1.6
151.04010	4.2
155.03578	1.3
160.01607	3.9
161.02457	8.8
166.03062	0.8
173.04520	13.8
177.01941	6.6
178.02673	4.6
179.03465	11.5
189.01913	1.0
191.05602	70.7
192.06006	0.8
206.25682	0.9
215.05600	3.1
308.09070	0.9
309.15140	0.9
327.16049	1.2
351.07312	4.5
353.14124	1.3
487.34418	0.9
499.70465	0.9
735.57208	1.3
883.44800	15.1
1074.68091	2.5
1075.50867	100.0
1076.51221	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	1077.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05012	0.3
84.52135	0.2
85.02940	6.7
85.03412	0.4
87.00859	2.1
93.03442	6.7
109.02937	3.8
111.04515	1.9
127.03999	2.2
133.02931	1.3
135.04530	0.4
137.01462	0.4
137.02431	6.8
145.02965	0.4
146.03671	0.3
147.04500	5.5
155.03465	0.4
157.02939	0.4
159.04489	2.4
161.02368	0.4
163.03973	1.2
171.02983	0.4
173.02449	0.3
173.04510	3.4
175.03972	4.4
177.05513	0.4
191.05603	100.0
192.05936	1.5
201.01901	3.5
203.03439	0.6
218.02293	0.6
219.02982	10.5
229.01392	6.1
229.31035	0.3
230.01814	0.3
243.91052	0.2
246.79105	0.3
246.82303	0.3
265.05124	0.5
267.06516	1.5
269.04733	0.5
269.08167	4.0
274.06247	0.3
277.05096	1.2
293.04575	2.6
295.06094	5.6
311.05511	0.2
313.07175	1.0
321.04080	3.6
337.03421	0.3
338.04150	0.3
339.05093	4.5
353.08771	2.0
357.06430	0.3
369.08310	0.8
375.07248	1.2
445.90216	0.2
513.10291	1.2
531.11212	1.1
549.13745	0.3
705.16473	1.0
707.18579	0.4
723.17798	50.8
724.18506	1.7
1024.41028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
79.55764	0.1
83.01369	0.9
84.26553	0.1
85.02934	1.5
87.00888	0.4
89.02439	0.2
91.01875	0.1
92.10114	0.2
93.03467	0.2
95.01349	0.4
99.00861	0.7
105.03534	0.1
107.01375	2.9
108.02173	0.9
109.02947	1.5
113.02435	1.3
115.00354	0.2
117.01912	0.2
119.01449	0.1
121.02934	1.5
125.02406	0.2
133.02936	4.3
135.00877	0.6
135.04544	0.1
147.04529	0.2
148.01669	0.5
149.02428	1.4
151.00356	12.1
152.01071	0.1
153.01913	0.2
156.74788	0.1
157.30669	0.1
159.04570	0.2
161.02365	0.1
163.00319	1.8
163.04019	0.2
164.01141	0.6
165.01886	0.2
169.01398	0.8
171.04533	0.4
174.03175	0.2
175.03954	2.1
177.01976	0.2
178.99854	4.3
183.04529	0.4
185.06079	0.5
187.04034	0.6
190.02684	0.1
190.99829	0.2
191.03499	0.2
192.00626	0.4
193.01428	0.2
198.03238	0.4
199.04025	2.5
201.01892	0.9
201.05605	0.2
202.02573	0.1
203.03557	0.2
211.03984	0.9
213.02159	0.1
213.05638	0.8
214.02763	0.2
215.03516	0.9
216.04240	0.7
217.05023	1.1
223.04010	0.2
226.02747	1.4
227.03545	2.3
228.04207	0.2
229.05049	0.5
239.03424	0.4
240.04364	0.2
241.04980	0.8
242.02112	0.1
243.02960	9.4
244.03668	0.7
245.04553	0.7
254.02171	2.5
255.02974	24.0
256.03540	0.6
257.04526	0.6
267.02878	0.2
271.02466	52.9
272.03085	2.6
273.03937	0.8
283.02396	0.8
284.03244	0.6
285.04031	81.8
286.04358	1.7
297.03931	0.5
299.02148	1.0
299.05069	0.1
300.02740	100.0
301.03485	23.3
302.03809	0.4
327.05121	0.7
339.05133	0.1
343.04514	1.1
355.04556	0.1
357.06113	0.5
461.07251	27.1
462.07675	0.8
609.14630	78.1
610.15021	2.7
777.94714	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	1073.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00858	1.7
82.04510	0.2
83.01374	2.9
85.02939	12.0
87.00865	1.3
89.02414	0.5
89.42063	0.2
95.01372	3.5
99.00867	4.2
103.00351	1.7
107.01382	14.5
108.02177	0.3
109.02948	1.5
113.02434	19.7
115.00339	0.6
117.01921	1.3
121.02927	0.4
125.02408	5.1
129.01947	0.9
131.45326	0.3
133.02959	0.4
134.03667	0.5
135.04500	61.0
136.04791	0.4
148.01675	0.3
149.02365	0.4
151.00351	100.0
152.00670	0.6
160.95662	0.2
161.02451	2.7
163.00314	0.5
169.01385	1.4
173.49109	0.3
175.02452	9.2
175.03969	0.4
178.99812	1.6
190.95206	0.3
193.01427	0.4
199.04019	0.4
201.05559	0.5
203.03529	0.3
209.62744	0.3
226.02725	0.3
227.03500	0.5
231.34917	0.3
233.30392	0.3
241.81314	0.3
243.02969	2.5
245.04498	0.3
254.02121	0.6
255.02954	7.2
256.03293	0.4
257.72598	0.3
269.04526	0.3
271.02454	17.9
272.02933	1.8
273.03702	0.4
285.04062	2.0
286.04376	1.2
287.05600	39.9
288.05881	0.5
299.02014	0.4
300.02740	26.6
301.03418	11.1
302.03528	1.3
414.30325	0.3
461.07251	0.6
462.07922	0.3
463.08829	79.4
464.09061	2.0
495.97598	0.3
537.43964	0.3
609.14661	19.5
610.15021	3.4
611.15576	2.0
1093.58081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.655
Annotation	Unknow
Peak:m/z	Relative Intensity
106.58065	1.7
131.12785	1.5
159.23758	1.6
173.04517	2.3
191.05620	14.6
228.83344	1.5
278.97269	1.7
335.23727	2.4
363.26697	6.8
379.30072	8.7
407.29736	3.4
409.31100	37.3
415.31531	2.1
423.29401	2.2
425.30606	8.9
427.32013	3.5
453.30087	18.1
455.31772	11.7
471.31055	9.2
501.32242	100.0
502.32776	3.9
515.33429	12.9
559.27692	23.7
869.40625	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	1064.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95890	69.3
78.96343	2.7
85.02921	12.7
87.00890	2.1
92.10110	4.2
93.03441	8.7
93.21012	1.4
99.41988	1.5
106.90369	1.6
108.43028	1.8
109.02979	1.7
109.79811	1.5
122.98544	7.4
127.04008	1.9
149.24826	1.9
151.01738	2.2
152.99570	20.7
168.04282	3.9
172.05321	3.3
173.06007	2.4
185.06061	1.9
187.04094	2.0
191.05591	72.5
192.05919	2.2
193.05870	1.8
197.05991	3.2
199.03986	8.9
200.04779	2.8
224.06891	3.7
227.03464	20.0
228.04176	11.9
239.06723	1.8
279.23288	45.7
283.13422	30.0
301.14331	6.9
309.14874	17.3
311.13031	9.2
327.12296	3.8
327.16016	7.2
329.13882	6.9
353.13913	23.1
355.14713	1.9
371.15030	16.1
385.16541	3.3
579.05170	1.8
624.31628	2.0
753.07623	1.9
798.09460	2.2
813.40155	6.4
858.45587	26.3
859.44476	2.4
871.46967	3.8
872.46869	7.8
895.72711	2.4
974.17975	2.3
1005.46021	14.0
1064.53467	100.0
1065.53491	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	1061.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05019	0.4
84.05288	0.4
85.02940	6.9
87.00849	3.6
92.10194	0.7
93.03436	12.8
94.03735	0.6
109.02968	2.5
111.04495	3.5
121.02917	0.5
127.03989	2.5
129.01877	0.5
133.02963	1.8
135.04501	3.3
137.02408	0.5
145.02931	0.4
155.03473	0.7
159.04468	1.6
161.02412	4.4
171.02983	0.4
173.02411	0.6
173.04527	7.2
175.03923	0.6
179.03400	1.5
189.01848	0.4
191.05594	100.0
192.05934	4.5
193.06160	1.8
195.08099	1.5
197.05943	0.4
203.03539	0.6
211.07695	0.5
216.47610	0.3
221.06084	1.7
222.06683	1.4
223.07584	3.6
224.04745	0.8
229.01357	3.1
230.01622	0.5
233.05745	0.4
237.05600	2.8
238.06053	0.7
239.07104	3.1
242.05894	1.4
243.06630	1.3
248.04622	0.8
249.05464	3.1
250.06067	0.8
251.07025	5.3
252.07521	0.4
253.05161	0.5
264.04257	1.6
265.05051	4.0
266.05655	1.6
267.06619	7.6
268.07074	0.6
269.08176	0.3
271.09686	0.7
276.04279	0.6
277.05032	5.2
278.05453	2.2
279.06284	0.6
281.04395	0.4
289.05566	0.5
292.03720	0.7
293.04593	7.4
294.04947	3.4
295.06110	12.5
296.06406	4.2
297.07321	2.2
311.05646	2.6
321.04056	12.2
322.04413	5.1
323.05200	2.8
338.03903	0.4
339.05075	55.1
340.05405	10.9
341.05661	3.8
351.65793	0.4
353.09009	4.5
476.76947	0.4
495.09109	1.6
513.10364	62.2
514.10693	14.9
515.11084	7.8
516.10913	0.5
593.15302	0.5
705.16882	7.0
706.17468	4.7
707.18036	14.8
760.72272	0.4
815.28363	0.4
1061.27771	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	1061.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	0.1
83.05009	0.3
83.59374	0.0
85.02936	4.9
87.00851	0.9
92.10981	0.1
93.03436	1.9
99.04510	0.1
102.94434	0.1
109.02936	0.4
109.05860	0.1
111.04496	0.9
122.01096	0.1
127.03981	1.6
130.52068	0.1
133.02928	0.6
134.53159	0.1
135.04506	0.7
155.03432	0.1
161.02402	2.0
171.03006	0.4
173.04533	0.9
178.32990	0.1
179.03471	0.7
191.05595	100.0
192.05945	1.1
229.01295	0.1
286.50543	0.1
352.07132	0.1
353.08762	20.9
354.09183	0.4
439.69519	0.1
608.10571	0.1
707.18243	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	1061.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56356	0.1
80.79265	0.0
81.03445	0.1
85.02933	4.8
87.00859	1.3
87.01381	0.1
92.10123	0.1
93.03431	2.3
99.00870	0.1
99.04498	0.1
109.02939	0.5
111.04485	0.8
118.18504	0.1
121.27567	0.1
123.84780	0.1
127.03983	1.6
133.02931	0.5
135.04486	0.9
137.02409	0.1
155.03465	0.1
161.02408	2.1
171.02986	0.4
173.04500	1.3
179.03462	0.7
191.05592	100.0
192.05945	1.1
222.31746	0.1
229.01407	0.2
230.01630	0.1
242.05896	0.2
243.06561	0.1
271.09726	0.1
289.05756	0.1
295.06186	0.1
321.04135	0.1
323.05655	0.1
352.07443	0.1
353.08755	19.9
354.09079	0.5
356.81219	0.1
442.40634	0.1
514.10596	0.1
532.52490	0.1
707.18201	1.4
708.18542	0.1
910.29962	0.1
940.56879	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03429	0.2
83.04977	0.2
83.32798	0.2
85.02933	6.1
87.00849	3.0
92.10812	0.5
93.03433	8.3
104.34271	0.2
106.39989	0.2
108.02148	0.4
109.02945	2.6
111.04503	2.2
115.00341	1.3
121.02936	0.3
125.02431	0.3
127.03946	2.1
133.02927	1.6
135.04489	2.3
137.02425	0.3
138.51271	0.3
145.02919	0.3
147.04526	0.3
155.03511	0.5
157.02882	0.2
159.04407	0.4
161.02419	5.0
161.06099	0.3
167.03394	0.2
167.04802	0.2
171.02995	1.0
173.04515	6.3
173.05875	0.4
175.03941	0.4
175.95142	0.2
179.03477	1.8
187.03995	1.1
191.05597	100.0
192.05913	1.8
201.02010	0.2
203.03360	0.3
219.02977	0.4
229.01402	1.4
230.02092	0.3
241.05054	0.4
242.05858	2.0
243.06590	1.9
249.05522	0.2
251.07135	0.9
255.06613	0.3
264.04126	0.3
265.04883	0.9
266.05692	0.3
267.06506	0.4
271.09711	1.2
277.04938	0.9
279.06528	1.1
281.04572	0.3
289.05719	1.1
292.03668	0.3
293.04578	1.2
294.05005	0.5
295.06076	1.4
296.06555	0.3
297.07526	1.8
305.04706	0.4
321.03888	1.7
323.05676	3.0
328.41812	0.3
337.03531	0.9
339.05106	0.9
340.05176	0.2
341.06659	0.3
353.08685	1.4
425.08954	0.3
463.11053	0.4
487.00879	0.3
513.10455	0.3
514.10883	0.4
515.11462	1.1
676.18848	0.3
689.17615	0.3
691.18634	0.3
705.17029	0.3
707.18280	35.8
708.18604	1.4
709.18469	0.3
869.21637	0.5
876.44922	0.3
1061.27808	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	1059.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46452	0.2
77.03943	0.4
77.60062	0.3
78.95908	0.3
81.03448	2.1
83.05022	1.8
85.02940	6.2
86.21680	0.3
87.00859	13.0
89.03960	0.5
92.10839	1.3
92.41666	0.3
93.03436	69.2
94.03780	0.3
95.01394	0.5
95.05014	0.6
99.00867	1.1
99.04443	0.3
101.02402	0.3
105.03452	3.3
107.05010	0.5
108.02137	1.9
109.02943	5.0
111.00871	0.6
111.04507	8.0
113.02447	0.5
117.03397	0.3
121.02934	1.8
122.03703	1.1
123.04475	0.6
124.01638	3.8
125.02456	1.5
126.03222	0.5
127.03980	1.8
129.01909	1.3
132.02138	2.7
133.02934	28.1
134.03725	7.9
135.04500	71.4
136.05249	0.5
137.02419	4.7
139.03987	1.1
149.02423	0.6
150.03194	3.6
151.03986	9.1
152.40352	0.3
155.03497	2.6
155.04561	0.3
160.01622	3.6
161.02420	5.8
161.06067	0.3
162.03204	0.5
163.03989	0.6
171.02962	0.4
173.04527	16.8
174.03117	0.3
177.01915	5.9
178.02695	5.5
179.03476	17.3
185.96429	0.3
187.04004	0.3
189.05746	0.5
191.05600	51.4
211.13419	1.1
215.05589	5.0
227.03513	0.3
227.07043	0.3
277.21756	2.4
283.13370	0.5
299.16602	0.4
301.14554	0.3
307.08191	1.3
308.09061	2.0
308.64053	0.3
309.14948	1.9
325.14444	0.6
327.16019	2.1
343.15427	0.4
351.07190	6.4
352.07904	1.1
353.13861	2.3
371.14868	0.5
411.88779	0.3
440.54938	0.3
604.33826	0.3
607.23743	0.4
687.38062	0.3
823.45117	0.3
841.47998	0.4
842.83746	0.3
849.45166	0.3
867.45355	16.1
867.62421	0.6
868.45721	0.7
885.46118	1.2
1041.50525	1.4
1059.51636	100.0
1060.51758	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	1059.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95966	0.1
81.03462	0.7
82.03632	0.2
83.05029	0.8
85.02940	15.0
87.00854	3.0
89.02435	0.3
92.10831	0.9
93.03442	7.2
95.01384	0.6
97.02920	0.2
99.04505	0.7
99.92561	0.2
101.02447	0.9
108.02168	0.2
109.02944	1.8
111.04513	2.5
113.02437	0.2
122.65385	0.1
127.03991	3.8
129.01894	0.2
129.06990	0.2
133.03017	0.2
135.69885	0.2
137.02440	0.3
144.05617	0.1
155.03488	0.3
156.05797	0.1
158.03729	0.7
159.04482	1.1
160.05264	0.7
161.02390	0.3
171.02954	0.8
171.04364	0.3
171.21877	0.2
172.05289	4.6
173.04538	1.9
173.06042	0.5
174.03178	1.9
183.04480	0.8
184.05296	0.6
185.06041	0.8
186.03293	0.3
186.06723	0.2
187.03999	1.4
189.05551	0.2
191.05606	100.0
192.05942	0.7
196.05197	0.2
197.06062	1.1
198.03233	0.2
198.06837	0.8
199.04018	5.8
200.04796	3.5
201.05559	0.6
202.06416	0.3
204.04320	0.8
211.03978	1.2
211.07631	0.6
213.05618	1.0
214.06430	0.6
224.04848	0.2
226.02666	0.3
227.03491	17.2
227.10803	0.3
228.04271	7.3
229.04851	0.2
232.03763	0.3
233.06619	0.2
237.16470	0.2
239.14581	0.2
242.05858	0.3
246.05382	0.3
253.16020	0.3
255.13890	0.7
257.15408	0.3
265.12344	0.3
265.15933	0.2
267.13925	0.3
277.21707	3.1
281.12564	0.2
281.15442	1.5
283.13385	25.5
284.13739	0.6
299.16583	0.2
301.14432	5.6
307.13358	0.3
309.14954	12.0
310.15378	0.2
311.12936	7.5
311.16129	0.3
312.13449	0.2
325.14465	2.9
326.15335	0.2
327.12347	1.7
327.16040	6.9
329.13919	3.1
335.12918	0.3
343.15714	1.0
345.13455	0.2
345.17108	0.6
353.13937	18.2
357.17059	0.2
371.14996	6.7
375.18457	0.2
385.16574	0.2
427.17981	0.2
445.18747	0.3
471.16086	0.1
492.75745	0.1
537.23480	0.2
545.20203	0.2
563.21472	0.3
565.23187	0.2
576.65527	0.2
581.25134	0.2
589.23145	0.4
607.23987	4.1
797.45551	0.3
823.43219	3.1
824.43958	0.3
825.44305	2.2
839.45660	0.6
841.47791	0.8
849.43640	1.1
867.45337	59.5
868.45703	3.8
885.46497	3.4
886.48419	0.2
1041.50745	3.9
1059.51514	9.1
1060.52258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03448	0.4
83.01363	0.2
83.05024	0.8
85.02934	14.5
85.84366	0.2
87.00864	3.4
89.02428	0.4
93.03436	7.5
93.84754	0.2
94.19252	0.2
95.01346	0.4
99.00900	0.2
99.04510	0.4
101.02434	0.9
109.02949	1.9
111.04502	1.9
113.02425	0.4
127.03988	3.9
155.03429	0.4
156.05775	0.2
158.03716	1.0
159.04462	1.3
160.05171	0.2
161.02399	0.3
171.02945	1.3
171.04459	0.7
172.05264	4.6
173.02435	0.3
173.04512	2.4
173.05969	0.5
174.03215	1.2
183.04475	0.8
185.06082	1.2
186.03232	0.2
186.06763	0.3
187.03999	1.3
191.05592	100.0
192.05887	0.4
196.05290	0.3
197.06097	0.9
198.06746	0.4
199.03995	8.5
199.07726	0.2
200.04784	4.1
201.05534	0.4
202.06334	0.7
204.04250	1.1
211.04008	1.5
211.07686	0.3
213.05550	0.8
214.06288	0.7
224.04993	0.2
225.05577	0.3
226.02771	0.3
227.03479	21.6
228.04251	10.3
229.04776	0.2
232.03706	0.4
239.07187	0.2
241.12418	0.2
246.05168	0.3
253.16010	0.2
255.13895	0.8
257.15463	0.3
265.15955	0.3
267.13815	0.3
277.21655	5.4
281.11853	0.2
281.15353	1.5
283.13370	31.8
284.13672	0.5
299.16516	0.4
301.14410	4.2
307.13513	0.8
309.14908	9.6
310.15070	0.3
311.12912	10.0
311.16290	0.4
312.13068	0.3
325.14423	4.4
327.12317	2.5
327.16003	4.2
329.13870	2.2
335.13004	0.3
343.15500	0.8
353.13916	24.0
354.14508	0.3
371.14908	3.5
423.95056	0.2
445.18661	0.2
528.09418	0.2
545.20062	0.2
563.21478	0.3
567.45270	0.2
579.25116	0.2
589.22754	0.3
607.24127	3.0
609.65503	0.2
728.94525	0.2
797.44537	0.3
823.42847	5.1
825.44373	1.7
839.45551	0.3
841.47107	1.4
849.43378	1.1
867.45325	76.2
868.45471	4.8
885.46539	3.8
1041.50806	3.9
1059.51440	10.4
1060.52246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50381	0.3
77.74696	0.2
81.03456	1.0
83.05013	1.2
85.02934	11.2
87.00866	4.5
93.03436	14.6
101.02415	0.4
108.02177	0.5
109.02947	2.9
111.04497	2.7
113.02471	0.3
121.02898	0.5
122.03716	0.2
125.02422	0.3
127.03979	3.7
133.02922	0.6
134.03716	0.9
135.04523	1.7
136.01682	1.0
137.02420	16.6
147.04482	0.3
155.03447	0.3
159.04482	2.1
160.01559	0.3
161.02361	0.9
163.10054	0.2
163.11296	0.6
171.03000	1.2
172.05345	0.3
173.04518	4.4
173.05917	0.4
174.03271	0.9
174.06827	0.4
175.03894	0.3
177.01883	0.5
181.81038	0.2
187.04016	3.6
187.07692	0.3
188.04755	1.9
191.05592	100.0
192.05922	1.0
194.43892	0.2
197.06065	0.6
198.06810	0.3
202.06375	0.4
203.03696	0.3
207.13805	0.3
209.09909	0.3
209.11829	7.3
211.13393	0.3
225.14955	5.1
242.86664	0.3
251.12965	0.3
253.09161	0.3
272.81198	0.2
281.15454	0.3
283.13400	1.3
299.16522	3.3
309.14905	3.9
317.17731	1.1
325.14532	0.4
327.12079	0.4
327.15985	11.9
345.16983	1.8
353.14005	1.4
371.15158	0.5
545.72302	0.3
791.38818	1.5
817.36609	1.7
849.39191	0.9
889.40588	3.2
921.43457	10.5
1009.41968	1.1
1027.43774	5.8
1041.45154	2.3
1059.46472	21.8
1060.46863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56292	0.4
78.89446	0.3
83.01391	0.7
85.02940	4.6
87.00851	1.4
89.02425	16.6
89.02959	0.6
90.56356	0.3
92.10925	0.7
93.03446	2.2
93.09256	0.3
95.01382	1.4
97.02945	0.5
99.04498	10.8
101.01799	0.7
101.02424	9.7
109.02956	1.9
111.04514	0.8
113.02428	6.2
119.03474	6.2
121.02940	0.8
121.06590	0.5
125.02402	2.6
131.03400	0.3
133.02892	5.7
135.04547	1.4
149.02341	0.5
151.04033	0.6
155.03532	0.4
161.02422	2.3
163.00360	0.6
163.03993	1.7
165.01907	0.5
165.48598	0.3
173.04465	0.7
175.03951	1.9
177.01865	1.3
179.03482	0.4
189.12791	4.3
191.03690	1.0
191.05579	12.7
192.06026	0.5
201.01912	0.5
207.13895	29.9
209.11766	0.4
229.01418	0.8
233.11891	0.7
237.05484	0.4
243.02975	0.6
251.12857	35.8
253.05023	0.4
255.03041	0.6
267.06720	0.4
269.13931	0.8
281.04550	0.5
284.03152	4.0
285.04080	3.0
293.04559	0.5
295.06128	0.6
297.03961	7.7
298.04782	3.3
299.05554	9.2
311.05591	1.8
321.04117	1.4
327.05096	34.3
328.05499	0.6
339.05200	2.7
357.06155	8.5
369.06097	0.5
431.19177	18.7
447.09369	11.9
611.25568	100.0
612.25671	3.3
705.17963	0.4
1059.27771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	1.2
83.05019	1.6
85.02934	11.5
87.00861	4.9
89.02431	0.2
92.10167	0.2
93.03433	14.4
97.02953	0.2
99.00904	0.3
99.04499	0.4
99.75140	0.2
101.02445	0.2
108.02229	0.4
109.02948	2.8
111.04495	2.7
113.02426	0.2
118.26404	0.2
121.02940	0.4
123.04495	0.3
125.02415	0.4
127.03980	2.3
133.02965	0.4
134.03688	0.8
135.04477	1.2
136.01608	0.4
137.02420	14.9
146.03740	0.2
155.03474	1.2
159.04497	2.3
165.12837	0.2
171.02946	0.8
172.05290	0.4
173.04527	3.7
173.05954	0.5
174.03177	0.8
174.06818	0.4
175.03877	0.3
177.01900	0.4
178.08707	0.2
187.03999	3.3
187.07616	0.5
188.04784	1.4
191.05595	100.0
192.05954	1.1
197.05963	0.8
197.15498	0.3
198.06789	0.9
200.04659	0.4
201.05602	0.3
202.06357	0.8
207.13884	0.2
209.11823	8.8
211.13431	0.3
225.14975	4.6
227.12865	0.3
281.15308	0.3
283.13245	0.4
285.04034	0.2
297.14938	0.2
299.16534	4.0
309.14960	4.1
317.17670	0.4
325.14395	0.4
327.12152	0.5
327.16013	12.6
343.15488	0.4
345.16965	1.6
353.13950	2.0
371.14902	0.3
399.03659	0.2
435.57318	0.2
607.24518	0.3
715.36774	0.3
789.21814	0.2
791.37891	1.3
817.36456	1.6
849.38342	0.4
889.40430	2.7
921.43280	9.6
921.61627	0.3
1009.42334	1.0
1027.43811	5.7
1041.45630	2.2
1059.46497	25.9
1060.46802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.6455
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05000	0.6
85.02956	1.6
92.15176	0.4
97.06561	0.6
99.04480	0.4
103.18861	0.4
105.25908	0.5
111.10286	0.4
126.27972	0.4
132.16620	0.4
136.44633	0.4
141.82573	0.5
145.02994	0.5
188.84541	0.4
191.05614	3.8
277.21744	0.5
375.26874	0.6
387.23361	2.0
389.28458	0.6
391.30048	2.0
417.28235	1.7
419.29462	4.7
423.29236	4.1
435.29263	0.7
439.32422	0.9
451.28467	0.6
453.30048	2.6
455.31531	0.8
465.30142	21.7
471.34872	4.1
483.31189	27.7
497.29022	0.5
513.27295	0.6
525.32465	1.7
543.33337	100.0
544.33545	2.5
587.20099	0.5
865.43976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02932	7.8
87.00861	1.7
92.10967	1.6
93.03446	8.4
109.02941	11.0
127.03992	1.2
133.02948	4.1
135.04477	1.3
157.02953	9.9
159.04482	4.7
161.02380	3.9
163.12733	0.9
173.04521	4.6
177.01923	1.4
179.03539	1.3
185.02438	1.2
191.05598	100.0
192.02328	1.0
192.05983	2.8
203.03476	1.8
217.33249	1.0
221.06190	1.0
229.01405	84.4
230.01765	1.5
240.04192	0.9
243.06674	1.1
249.05487	3.8
253.04987	1.0
265.04938	4.8
266.05688	1.3
267.06546	7.9
269.08200	1.3
277.04990	6.3
281.04413	1.0
293.04510	14.1
294.05225	1.7
295.06088	14.2
297.07706	0.9
311.05554	4.6
313.07175	3.9
321.04141	12.5
326.02112	1.0
337.03513	3.9
338.04379	6.5
339.05081	39.5
351.07254	2.0
477.70563	0.9
513.10388	34.2
514.10718	1.5
653.50018	0.9
673.51001	0.9
705.16724	48.9
707.18292	15.5
708.19104	1.3
1047.27759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02937	4.2
87.00871	1.0
87.71662	0.2
93.03419	1.8
109.02943	0.3
111.04522	0.8
112.43842	0.1
113.62693	0.2
127.03961	1.2
127.22180	0.2
133.02942	2.1
135.04491	1.2
161.02417	7.3
171.02917	0.4
173.04509	1.4
177.01891	2.3
178.02209	0.4
179.03493	1.3
189.77669	0.2
191.05597	100.0
192.05916	1.7
233.70964	0.2
242.05902	0.3
267.78482	0.2
339.07172	0.8
341.08792	2.1
353.08752	21.8
354.09232	0.7
360.29230	0.2
533.13312	0.3
616.94366	0.2
695.17627	0.3
707.18304	1.2
869.87354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	0.6
91.01898	0.1
93.03453	0.1
107.01381	1.9
108.02179	0.7
109.02938	1.2
121.02937	1.5
124.01698	0.1
125.02457	0.3
135.00882	0.5
135.04532	0.1
139.03947	0.1
148.01640	1.0
149.02428	0.2
151.00346	9.2
152.00978	0.2
153.01886	0.3
161.02383	0.2
163.00346	1.7
164.01132	0.5
169.01402	0.6
171.04535	0.1
177.01950	0.2
178.99832	4.2
183.04539	0.2
185.06036	0.1
187.04012	0.2
190.02667	0.1
190.99863	0.2
191.05621	0.6
192.00742	0.4
193.01424	0.2
199.03915	0.8
201.02097	0.1
201.05557	0.3
203.03476	0.2
211.04070	0.9
213.05571	0.1
214.92068	0.1
215.03517	0.5
216.04335	0.5
226.02664	1.2
227.03496	2.7
228.04155	0.1
229.05072	0.6
239.03419	0.2
243.02962	8.9
244.03606	0.6
245.04533	1.1
254.02165	2.3
255.02971	26.0
256.03421	0.7
257.04578	0.2
271.02460	53.7
272.03064	2.5
273.03943	0.9
283.02301	1.2
299.02063	1.1
300.02734	100.0
301.03488	27.9
302.03769	0.7
343.04453	0.1
345.87820	0.1
463.08771	2.2
505.09869	74.1
506.10098	2.1
524.14423	0.1
565.33539	0.1
765.64502	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	1045.282
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02932	0.1
77.34221	0.1
80.36193	0.1
81.03455	0.2
83.05028	0.4
85.02937	6.2
87.00858	2.5
90.48383	0.1
92.10897	0.2
93.03439	7.5
99.04521	0.3
101.02464	0.1
109.02923	1.1
111.04507	2.1
113.51567	0.1
115.00359	0.5
116.14873	0.1
119.05018	0.5
127.03990	2.2
129.01956	0.2
133.02921	0.9
135.04503	1.3
137.02464	0.3
145.02975	0.4
153.36304	0.1
155.03514	0.6
161.02434	3.2
161.13084	0.1
163.04013	0.7
171.02989	0.6
173.04532	4.8
179.03462	1.3
187.04051	0.1
191.05611	100.0
192.05971	1.5
210.06746	0.1
225.05551	0.1
226.06311	0.4
227.07124	2.2
229.01463	0.2
239.07104	0.5
253.08630	0.2
255.10251	1.6
263.07159	0.1
265.05109	0.1
266.05725	0.2
271.04608	0.1
279.06610	0.4
281.08133	1.0
289.05743	0.6
307.06161	1.0
325.07230	0.3
337.09409	0.6
343.08124	0.3
353.08746	1.1
367.37460	0.1
463.10886	0.2
482.31516	0.1
498.12009	0.1
499.12616	0.4
517.13654	0.4
689.16467	0.1
690.18127	0.1
691.18781	37.0
692.19116	2.5
693.18292	0.1
707.17987	0.1
732.62982	0.1
897.63586	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	1045.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89122	0.2
81.03458	0.4
83.05016	0.3
85.02940	8.1
87.00853	4.2
87.01324	0.2
93.03440	12.8
94.03767	0.2
95.10594	0.2
98.62748	0.2
100.61738	0.2
102.09238	0.2
108.02180	0.5
109.02951	2.7
111.04495	3.5
115.00361	2.5
115.34485	0.2
117.01968	0.3
119.05023	0.3
122.03716	0.3
127.03979	2.4
129.01933	0.5
133.02995	0.4
135.04500	2.0
137.02454	0.2
139.04031	0.3
145.02943	0.3
147.04547	0.3
148.05214	0.2
151.04021	0.3
153.01880	0.4
155.03481	1.5
159.04561	0.2
161.02441	2.3
161.06110	0.3
163.04021	0.8
171.02998	0.5
173.04535	12.0
179.03461	1.2
187.04039	0.2
191.05612	100.0
192.05913	2.5
193.06203	0.3
219.02968	0.3
221.06198	0.3
223.07664	0.3
225.05583	0.4
226.06422	1.3
227.07117	5.3
237.05611	0.4
239.07143	0.7
245.56638	0.2
250.06163	0.2
251.07025	0.8
252.07623	0.4
253.05070	0.2
253.08644	0.5
255.06290	0.3
255.10271	7.3
263.07114	0.3
265.05139	0.3
266.05817	1.0
267.06525	1.7
268.06918	0.4
271.04712	0.4
277.05112	0.8
278.05515	0.4
279.06570	1.5
281.04645	0.4
281.08102	1.5
289.05612	2.4
294.05154	0.4
295.06079	1.2
296.06467	0.3
305.04495	0.4
306.05081	0.3
307.06064	2.5
311.05536	0.3
317.59140	0.2
321.04095	0.4
322.04504	0.4
323.05399	0.9
325.06989	0.4
339.05084	6.9
340.05402	3.1
341.05634	1.1
343.08286	1.3
353.09164	0.5
356.82855	0.2
463.10757	0.4
496.10187	0.2
499.12109	0.5
513.10370	4.7
514.10809	3.8
515.11060	2.9
517.13397	0.8
563.70636	0.2
675.19263	0.3
689.17401	0.4
690.17535	0.9
691.18787	44.5
692.19171	2.1
707.18011	2.9
853.21661	0.4
1045.28418	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	1045.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89122	0.2
81.03458	0.4
83.05016	0.3
85.02940	8.1
87.00853	4.2
87.01324	0.2
93.03440	12.8
94.03767	0.2
95.10594	0.2
98.62748	0.2
100.61738	0.2
102.09238	0.2
108.02180	0.5
109.02951	2.7
111.04495	3.5
115.00361	2.5
115.34485	0.2
117.01968	0.3
119.05023	0.3
122.03716	0.3
127.03979	2.4
129.01933	0.5
133.02995	0.4
135.04500	2.0
137.02454	0.2
139.04031	0.3
145.02943	0.3
147.04547	0.3
148.05214	0.2
151.04021	0.3
153.01880	0.4
155.03481	1.5
159.04561	0.2
161.02441	2.3
161.06110	0.3
163.04021	0.8
171.02998	0.5
173.04535	12.0
179.03461	1.2
187.04039	0.2
191.05612	100.0
192.05913	2.5
193.06203	0.3
219.02968	0.3
221.06198	0.3
223.07664	0.3
225.05583	0.4
226.06422	1.3
227.07117	5.3
237.05611	0.4
239.07143	0.7
245.56638	0.2
250.06163	0.2
251.07025	0.8
252.07623	0.4
253.05070	0.2
253.08644	0.5
255.06290	0.3
255.10271	7.3
263.07114	0.3
265.05139	0.3
266.05817	1.0
267.06525	1.7
268.06918	0.4
271.04712	0.4
277.05112	0.8
278.05515	0.4
279.06570	1.5
281.04645	0.4
281.08102	1.5
289.05612	2.4
294.05154	0.4
295.06079	1.2
296.06467	0.3
305.04495	0.4
306.05081	0.3
307.06064	2.5
311.05536	0.3
317.59140	0.2
321.04095	0.4
322.04504	0.4
323.05399	0.9
325.06989	0.4
339.05084	6.9
340.05402	3.1
341.05634	1.1
343.08286	1.3
353.09164	0.5
356.82855	0.2
463.10757	0.4
496.10187	0.2
499.12109	0.5
513.10370	4.7
514.10809	3.8
515.11060	2.9
517.13397	0.8
563.70636	0.2
675.19263	0.3
689.17401	0.4
690.17535	0.9
691.18787	44.5
692.19171	2.1
707.18011	2.9
853.21661	0.4
1045.28418	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	1043.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	0.1
77.66265	0.1
80.57617	0.1
81.03470	0.3
83.01407	0.2
83.05033	0.2
85.02934	7.4
87.00855	1.6
87.01303	0.1
87.40812	0.1
92.10196	0.2
93.03435	4.0
96.96005	0.1
99.00915	0.1
99.04530	0.3
107.00722	0.1
107.01398	0.2
109.02925	1.1
111.04495	1.1
113.02423	0.1
125.02395	0.2
127.03993	2.3
132.02203	0.1
133.02942	0.1
135.00871	0.1
135.04532	0.3
137.02429	0.4
151.00357	0.8
151.58429	0.1
153.01886	0.1
155.03459	0.2
158.03644	0.1
159.04506	0.4
161.02411	0.1
163.00340	0.5
165.01927	0.1
166.02647	0.1
171.03017	0.7
171.04311	0.1
172.05290	1.2
173.02469	0.1
173.03012	0.1
173.04518	1.8
173.06010	0.3
174.03178	0.1
175.03908	0.1
177.01939	0.2
178.99800	0.1
183.04428	0.7
184.05240	0.1
185.06067	0.4
187.04060	0.7
187.07623	13.7
188.07954	0.1
189.05562	0.3
191.05592	100.0
192.05937	1.0
193.06104	0.1
195.04523	0.1
196.05295	0.1
197.05962	0.1
199.04005	1.3
200.04776	0.8
201.05635	0.2
202.06323	0.3
204.04250	0.4
211.03989	0.5
211.07643	0.2
213.05606	0.5
213.09181	1.9
214.06264	0.2
215.07137	2.4
215.09044	0.2
223.04105	0.1
227.03481	6.9
228.04230	1.8
229.05054	2.3
229.08607	1.0
231.06546	0.1
231.10318	0.8
232.03714	0.1
239.03506	0.1
240.04263	0.2
241.05080	0.4
243.03004	0.3
246.05527	0.1
255.02968	9.8
256.03775	0.8
257.04535	1.1
257.08167	12.2
258.08521	0.3
267.02853	0.1
271.02426	1.2
275.09183	0.8
283.05954	0.1
284.03232	11.6
285.04007	15.9
286.04224	0.5
300.02692	2.2
301.03394	0.6
313.10849	0.4
327.05157	0.2
357.06003	0.1
405.11874	0.4
431.13321	0.4
449.14529	8.6
450.15048	0.2
453.95670	0.1
481.75769	0.1
505.09708	1.6
561.16779	0.1
593.15033	18.4
594.15082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.6593
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02952	0.6
93.03422	0.6
135.04530	0.8
173.04617	0.5
191.05605	5.2
225.12677	0.4
241.12033	0.4
255.97023	0.4
281.10226	0.5
342.71460	0.4
393.31635	0.5
401.28522	0.9
407.29456	0.8
409.31476	3.1
410.31531	0.4
419.29800	0.5
421.31262	3.4
425.30481	1.4
439.32211	1.6
441.33777	9.9
442.34125	0.8
453.30005	0.8
457.33228	4.1
473.32803	4.3
485.32724	7.5
486.33054	0.5
501.31342	0.5
503.33786	100.0
504.34113	8.2
539.31561	12.5
577.71960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03430	0.3
83.05022	0.4
83.23022	0.2
85.02934	5.7
85.03406	0.3
86.93129	0.2
87.00842	4.1
92.10786	0.3
93.03433	11.8
95.01378	0.2
99.04498	0.3
109.02937	1.0
111.04498	2.5
119.05019	0.3
121.02935	0.5
125.02380	0.4
127.03947	1.4
129.01836	0.6
131.50729	0.2
132.02104	0.2
133.02917	1.3
135.04488	2.8
137.02380	0.4
139.03990	0.4
155.03487	0.4
157.02930	0.3
159.04497	1.3
160.01627	0.3
161.02412	3.3
163.03937	0.2
171.03084	0.2
173.02371	0.2
173.04520	4.1
179.03458	1.7
191.05591	46.0
192.05997	0.7
193.06546	0.8
195.04439	0.2
195.08139	3.0
203.03488	0.2
207.08127	0.5
209.06093	0.4
211.04057	0.3
211.07582	1.4
212.04800	0.3
221.06062	2.5
222.06766	1.5
223.07629	5.9
224.04774	1.1
229.01353	1.0
233.06090	0.3
234.06857	0.3
237.05487	2.1
238.06198	0.5
239.07095	4.9
247.03914	0.2
248.04761	0.4
249.05528	4.8
250.06261	1.2
251.07094	8.5
252.04239	0.4
253.05099	0.3
253.08740	0.3
255.10318	0.4
263.03424	0.3
264.04083	0.3
265.05014	3.6
266.05832	1.6
267.06583	14.0
269.08249	0.3
277.05014	5.1
278.05682	0.8
279.06558	2.0
280.03674	0.8
283.06100	0.4
292.03708	0.5
293.04544	4.6
294.04996	0.4
295.06076	14.2
296.06393	0.4
305.04565	1.2
311.05603	5.6
321.00238	0.4
321.04019	12.0
322.04471	0.7
323.05615	1.9
327.08661	0.9
337.03348	1.4
338.04126	0.4
339.05066	96.4
340.05429	4.1
348.42819	0.2
495.09036	2.5
497.10791	0.9
513.10327	100.0
514.10681	6.8
515.11792	0.2
651.53894	0.2
675.19244	1.5
676.19495	0.3
689.17395	2.3
691.18445	1.3
700.36249	0.2
703.15179	0.5
704.15588	0.3
705.16656	7.8
706.17261	0.4
851.19421	1.2
1043.26685	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	1043.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02966	0.3
76.59461	0.2
81.03464	1.4
83.05035	1.3
85.02938	9.7
85.35117	0.2
87.00859	9.8
93.03438	31.6
94.03811	0.3
95.05014	0.2
98.90961	0.2
99.00900	0.6
99.04516	0.5
101.02405	0.5
105.03457	0.9
109.02943	2.0
111.04505	6.6
112.04832	0.2
113.02416	0.5
114.37451	0.2
115.04009	0.2
117.03448	0.3
121.02924	6.9
125.02398	0.3
127.03981	2.7
129.01942	1.2
133.02942	6.9
134.03720	1.4
135.04491	4.9
137.02408	1.1
145.02930	0.4
147.04491	0.3
149.02406	0.3
155.03445	1.6
161.02423	21.6
163.03934	0.4
171.03014	1.0
173.04535	14.7
175.03995	0.3
176.01129	0.2
177.01907	4.4
178.02708	1.3
179.03506	2.7
189.01917	0.3
191.05609	100.0
192.05923	1.0
193.06433	0.2
215.05664	2.2
221.05983	0.9
223.07713	1.1
229.01381	1.2
237.05582	0.4
239.07178	4.0
249.05492	0.8
250.06474	0.3
251.07021	0.5
265.04965	0.4
267.06598	1.9
277.05145	0.4
279.06500	0.3
283.06183	1.6
293.04541	1.0
295.06085	1.3
300.02667	0.3
301.37668	0.3
311.05630	6.2
321.04102	1.2
339.05087	32.0
340.05270	0.9
351.07245	4.9
353.08707	0.3
449.16995	0.2
473.16843	0.9
476.14395	0.3
513.10364	60.2
514.10620	2.1
689.16974	0.4
705.16736	29.8
706.16821	1.5
707.18073	0.3
1043.24548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
75.98633	0.3
81.03461	0.5
83.05019	0.4
85.02940	5.5
87.00853	3.2
93.03436	12.0
109.02964	1.5
111.04533	2.2
115.00366	0.3
121.02930	0.4
127.04008	1.3
129.01874	0.4
133.02962	1.7
135.04500	2.1
137.02423	0.6
149.02415	0.3
159.04468	0.6
160.01672	0.4
161.02431	3.6
163.03981	0.4
171.03021	0.3
173.02422	0.3
173.04529	4.2
179.03517	0.6
185.02374	0.4
191.05597	49.7
192.05945	1.3
193.06543	1.0
195.08127	1.7
201.02022	0.3
207.08051	0.9
209.06081	0.5
211.07611	1.7
220.05295	0.4
221.06078	2.8
222.06837	1.0
223.07658	5.0
224.04770	0.6
225.05486	0.5
227.07198	0.4
229.01448	1.7
229.59914	0.3
232.22835	0.3
233.06055	0.5
237.05528	2.7
238.06456	1.1
239.07155	4.1
247.03738	0.3
248.04669	0.5
249.05583	4.6
250.06270	1.5
251.07104	8.1
253.05089	0.4
255.10312	0.5
263.03519	0.4
264.04019	0.5
265.05051	2.3
266.05768	1.2
267.06589	11.0
268.07022	0.4
269.08136	0.4
271.00406	0.3
277.05045	4.9
278.05753	0.6
279.06616	2.4
280.03561	0.3
292.03583	0.4
293.04559	4.1
294.05179	0.4
295.06088	12.1
296.06531	0.4
305.04636	2.0
308.09067	0.3
311.05682	4.8
319.02441	0.5
321.04013	11.8
321.07639	0.5
322.04794	0.4
323.05673	1.4
327.08765	0.6
337.03378	1.8
338.03897	0.6
339.05078	93.0
340.05420	3.3
344.75699	0.3
374.37183	0.3
495.09290	2.0
497.10727	0.5
511.08380	0.3
513.10327	100.0
514.10687	5.2
515.11023	0.3
634.12146	0.3
660.04456	0.3
675.18805	1.7
676.19769	0.4
689.16718	3.6
691.19000	1.8
703.15106	0.4
704.16162	0.3
705.16772	8.3
706.17816	0.5
851.19946	1.0
888.51257	0.3
1043.27087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02932	0.4
77.20426	0.3
81.03446	1.4
83.01400	0.5
83.05019	0.7
85.02939	16.7
87.00848	4.7
93.03442	11.5
99.04504	0.6
101.02428	0.7
109.02944	2.6
111.00939	0.3
111.04520	2.9
113.02464	0.6
123.04520	0.4
124.01682	0.4
125.02411	0.6
127.03991	3.8
129.01964	0.4
132.02150	2.1
133.02939	3.7
134.03717	1.6
135.04489	6.4
137.02422	1.4
146.03734	0.7
148.05293	2.1
151.04004	0.5
155.03516	0.4
159.04572	0.4
160.01680	5.6
161.02426	1.5
162.03259	0.7
162.19394	0.3
163.11299	0.4
165.12898	0.5
171.02991	1.4
172.05287	0.6
173.02325	0.5
173.04550	4.0
174.03226	3.3
174.06833	0.5
175.03961	0.6
176.04790	0.7
177.01874	1.6
178.02649	0.5
179.03456	1.5
180.04195	0.5
183.04405	0.4
184.05348	0.3
185.02419	0.4
185.06052	0.7
186.03191	0.5
187.03993	0.8
187.07678	0.8
188.04745	0.4
191.05605	100.0
192.05997	0.7
197.05948	0.5
199.04016	1.8
200.04779	3.5
200.08522	0.4
206.02219	0.4
209.11815	7.9
211.13466	0.3
213.05568	1.2
215.05469	0.6
227.03545	0.8
227.07111	0.4
227.12959	0.5
228.04149	1.2
257.15488	11.9
273.14899	0.6
281.15479	4.1
283.13345	2.3
285.03973	4.1
285.14990	2.0
286.04636	0.4
297.14835	1.4
299.16498	12.2
301.14597	0.5
309.15033	2.0
311.12827	1.6
317.17551	3.8
325.14447	10.2
327.15988	6.6
329.13919	0.4
335.12766	0.6
343.15524	7.3
345.17279	2.3
353.13986	6.1
355.15540	0.5
371.14810	2.9
388.88046	0.4
445.18967	0.4
448.07986	0.4
470.74994	0.4
473.80746	0.4
579.24329	1.3
589.23169	1.5
607.23969	2.3
789.36462	0.5
817.36487	39.5
818.37164	2.4
831.36981	0.4
835.37903	0.4
849.39111	50.8
850.39288	2.7
867.39618	1.1
1009.42792	5.8
1041.24915	0.7
1041.45605	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	1041.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02945	0.5
77.03960	0.5
81.03452	2.8
83.01376	0.5
83.05031	2.2
85.02932	13.0
85.03413	0.6
87.00858	13.4
87.29799	0.4
93.03439	70.2
95.05020	1.4
99.00872	1.8
99.04510	1.8
102.48165	0.3
105.03440	4.6
107.05042	0.6
108.02187	1.7
109.02934	5.9
111.00892	0.6
111.04509	11.0
113.02457	0.8
121.02934	2.6
122.03725	0.8
123.04507	0.8
124.01627	4.3
125.02420	3.1
126.03182	0.8
127.04000	4.2
129.01918	1.9
130.97084	0.4
132.02158	4.1
133.02937	37.3
134.03741	9.1
135.04501	73.0
136.05196	0.4
137.02441	6.1
139.03981	2.1
143.03523	0.5
149.02425	2.3
150.03197	3.9
151.03993	9.0
155.03477	2.9
159.04477	0.5
160.01643	3.7
161.02420	10.9
161.05974	0.5
163.03975	0.5
167.03438	0.4
171.02985	0.9
172.05156	0.4
173.04533	17.2
173.06020	0.6
174.03191	0.8
177.01913	8.9
178.02696	7.6
179.03484	20.2
187.03871	0.5
191.05602	100.0
192.05939	1.5
200.04820	0.5
209.11845	5.7
211.13411	1.9
215.05626	8.2
227.03406	0.6
227.12959	0.4
254.88553	0.4
283.13306	1.7
299.16483	0.5
307.08191	1.8
308.09024	1.9
309.14993	3.0
311.12845	0.4
325.14667	1.3
327.16028	4.6
343.15454	0.4
351.07227	7.2
352.07944	1.7
353.14093	4.3
371.15051	0.6
397.18503	0.4
607.24023	0.8
799.35345	0.8
817.36603	14.3
835.37903	1.9
849.39343	5.5
867.40131	0.6
1009.42755	33.3
1010.42346	2.0
1023.44635	0.6
1041.45459	86.9
1042.45410	3.6
1050.03394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	0.4
79.16427	0.2
81.03446	0.9
83.01350	0.3
83.05022	1.1
84.75937	0.2
85.02940	15.5
87.00860	3.4
89.02425	0.4
92.10957	0.4
92.63686	0.2
93.03437	8.2
95.01388	0.5
99.00843	0.2
99.04483	0.5
101.02433	1.0
109.02937	1.7
111.04507	2.2
113.02474	0.3
119.03530	0.2
125.02399	0.2
126.77760	0.2
127.03997	3.8
128.71278	0.2
130.62627	0.2
133.02921	1.0
135.04514	2.5
137.02419	0.6
150.03239	0.3
155.03490	0.5
159.04480	1.0
161.02414	1.0
171.02965	1.1
171.04417	0.4
172.05247	3.6
173.04520	2.6
173.05899	0.5
174.03255	0.5
175.04060	0.5
177.01953	0.4
179.03468	0.4
183.04462	1.1
184.05290	0.2
185.06027	0.5
186.06764	0.4
187.04016	1.3
191.05600	100.0
192.05934	1.9
193.06032	0.2
193.98531	0.2
197.06091	0.5
198.06805	0.3
199.03993	8.7
200.04771	3.1
201.05531	0.3
202.06310	0.6
204.04289	1.2
208.84900	0.3
209.11795	4.5
211.04042	1.3
211.07741	0.5
213.05540	0.4
214.06343	0.4
216.33804	0.2
227.03484	22.5
228.04274	10.3
229.04919	0.2
232.03772	0.9
242.05763	0.2
257.15399	0.3
267.13937	0.4
270.29602	0.2
281.15341	0.4
283.13373	28.0
284.13766	1.0
301.14456	4.3
307.13348	0.9
309.14941	8.2
310.14862	0.3
311.12866	8.4
325.14560	3.4
327.12332	2.0
327.16052	4.1
329.13937	1.5
335.12717	0.4
343.15656	0.4
345.17072	0.3
353.13956	22.9
354.14313	0.9
371.14984	6.0
404.85248	0.2
501.32202	0.2
607.24048	2.8
773.34045	1.7
791.38159	0.9
799.35553	1.2
817.36542	30.5
818.37317	1.5
835.37909	1.9
848.37909	0.8
849.38989	9.6
850.40057	0.3
867.40137	0.9
991.42413	1.5
1009.42859	8.7
1041.45435	21.2
1042.45325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	0.5
81.03461	1.0
83.01425	0.2
83.05022	1.4
84.53469	0.2
85.02940	16.3
87.00858	3.6
89.02440	0.9
92.64784	0.2
93.03440	7.1
95.01401	0.8
99.04523	0.9
101.02433	1.0
101.73635	0.2
109.02935	2.0
111.04499	2.0
113.02413	0.7
114.54343	0.2
125.02427	0.3
127.04009	4.1
130.95927	0.2
135.04504	0.2
137.02460	0.4
150.03175	0.3
155.03485	0.8
158.03696	0.8
159.04488	1.6
160.05281	0.3
161.02499	0.4
163.11273	0.5
165.12854	0.4
171.03020	0.8
171.04472	0.4
172.05304	4.2
173.04541	2.7
173.05952	0.6
174.03252	2.1
183.04529	0.5
185.06065	0.4
186.03195	0.3
187.03967	1.4
191.05609	100.0
191.82611	0.2
192.05943	1.3
197.06050	1.2
198.06801	0.5
199.03996	5.6
200.04820	2.0
201.05617	0.4
202.06339	0.3
203.03522	0.3
204.04242	0.9
209.11809	6.1
211.04024	1.1
211.07610	0.5
213.05643	0.5
226.02817	0.3
227.03499	17.0
228.01956	0.3
228.04257	8.4
232.03821	0.3
242.05672	0.2
253.16005	0.3
255.13924	0.3
257.15375	0.3
267.13849	0.4
281.15448	1.9
283.13391	22.3
283.16766	0.7
284.13626	0.3
285.14853	0.2
297.14862	0.3
299.16385	0.8
301.14484	4.2
307.13492	0.5
309.14948	11.0
310.15594	0.3
311.12912	8.0
311.16278	0.4
325.14407	3.6
327.12344	2.3
327.16043	6.3
329.13962	2.9
339.15973	0.3
343.15564	0.9
345.13229	0.3
345.17133	0.4
353.13928	19.3
354.14255	0.5
371.14984	6.6
427.17789	0.3
445.18774	0.4
503.34027	0.2
521.34607	0.3
565.22919	0.9
589.22876	0.3
607.24054	2.8
710.61053	0.2
773.34003	3.0
775.35809	1.2
789.36993	0.4
791.38086	0.8
799.36029	1.7
817.36499	41.2
818.37048	1.4
835.37225	1.7
849.39008	14.8
867.39905	0.9
991.41852	2.0
991.59216	0.3
1009.42310	4.6
1010.43237	0.3
1023.44305	3.0
1041.45361	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	1040.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95893	67.7
81.03455	0.7
85.02938	12.5
87.00859	1.5
93.03443	6.8
96.96940	2.7
111.04534	2.7
122.98520	7.0
127.04008	3.3
134.98563	0.8
152.99573	21.9
159.04503	0.8
160.05359	1.1
168.04259	5.7
171.02911	1.0
172.05295	6.5
173.04535	0.9
173.05998	2.8
174.03264	0.7
183.04436	0.7
187.04024	2.4
191.05611	65.0
197.06099	3.3
199.04010	7.4
200.04739	3.2
201.05582	2.5
202.06335	1.4
204.04437	1.9
211.03989	0.9
213.05565	0.8
224.06889	7.3
227.03500	20.2
228.04276	14.0
232.03645	1.1
242.05865	0.9
255.23289	49.0
257.15292	0.9
267.13846	1.4
281.15671	0.9
283.13412	31.3
297.15128	0.7
301.14417	8.5
309.14996	15.1
311.12970	11.0
325.14426	3.0
327.12387	6.8
327.16025	7.4
329.13962	5.2
335.12790	2.5
335.16556	2.5
341.13867	0.8
345.13531	1.5
353.13953	25.1
353.18109	1.2
367.15634	0.9
371.14999	15.0
379.15710	0.8
385.16437	3.3
391.22424	1.1
397.16638	1.0
577.22406	1.0
578.21484	1.0
789.39563	7.1
834.45642	25.7
848.46954	3.1
903.68683	0.8
981.46246	12.6
1022.50427	1.3
1040.53345	100.0
1041.53809	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	1031.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
82.69313	1.8
85.02955	11.8
93.03447	10.7
123.97952	2.0
139.74489	2.2
161.02477	2.4
173.04454	2.3
173.40962	2.5
181.15434	2.0
188.14044	2.4
191.05602	100.0
192.71497	2.3
199.03949	5.0
227.03552	27.6
228.04260	14.8
229.94449	2.4
255.10283	22.0
273.11316	8.3
277.21524	3.1
281.11716	3.0
283.09814	9.9
283.13217	3.8
297.11185	2.4
299.13046	3.6
325.10693	13.1
343.11859	5.0
414.63538	2.3
467.31415	3.3
485.32553	18.3
486.32623	8.0
543.27753	3.9
544.28998	10.2
545.28265	11.6
839.42224	86.5
1031.48071	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	1035.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
76.64520	0.7
76.80314	0.8
85.02941	1.1
88.27592	0.9
88.35242	0.7
88.97900	0.7
93.03435	6.3
101.55267	0.8
101.84342	0.7
108.02175	0.9
109.02970	3.6
121.02941	7.3
122.03716	12.6
123.04538	1.3
124.01610	0.9
125.02373	1.0
133.02957	1.4
134.03758	1.0
135.04460	4.2
136.01662	8.6
137.02423	14.1
139.03990	0.8
145.02956	1.2
146.03717	1.4
148.01686	0.9
149.02425	38.1
149.06067	1.5
150.03203	100.0
151.00334	9.0
151.03987	11.2
152.01122	1.3
152.04759	3.0
153.05534	1.2
157.54413	0.7
161.02382	1.3
161.06068	1.2
163.03973	1.6
164.04784	11.0
165.01901	21.2
165.05539	81.8
166.02708	24.1
167.03423	3.4
173.04555	1.1
175.03966	5.0
177.01936	3.2
177.05513	3.8
178.02699	3.3
179.03513	8.5
179.07097	3.5
180.04247	19.5
181.05049	32.6
184.03778	1.5
187.04030	1.3
190.06415	0.9
191.03529	3.0
191.05606	10.5
191.07217	0.9
191.54424	0.7
192.04329	1.5
193.05038	3.2
193.79518	0.8
194.05882	1.7
195.06607	45.0
205.05054	9.1
207.06688	1.8
210.05238	1.4
219.06789	1.3
220.07394	3.5
225.07639	6.9
300.10077	0.9
315.08826	0.9
329.10336	1.2
343.11935	4.0
359.11331	0.9
373.12973	19.5
387.10703	4.2
387.14700	4.3
388.11554	1.2
391.89465	0.8
402.13171	3.7
403.13849	9.1
416.14801	1.1
417.15601	19.1
421.14966	10.9
434.09149	0.8
467.46063	0.8
519.32922	1.2
520.17078	1.1
535.16016	1.7
545.57544	0.8
565.20844	34.0
577.20880	0.9
595.21857	19.5
613.22925	11.8
643.23743	1.1
743.26831	1.8
771.21387	1.0
773.28491	2.8
791.29285	4.4
839.30670	1.8
969.35413	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	1031.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03433	0.4
83.05029	0.6
85.02933	16.0
87.00873	3.3
93.03442	6.7
95.01397	0.4
97.02974	0.5
99.04495	0.6
101.02439	0.8
109.02966	1.7
111.04514	1.6
113.02430	0.5
114.84479	0.3
116.92872	0.5
127.03997	3.3
130.37938	0.3
155.03563	0.4
159.04431	0.5
161.02446	0.8
171.02965	1.4
172.05278	4.0
173.04510	2.4
173.05939	0.5
183.04430	0.7
185.06004	0.5
187.03973	0.7
191.05594	100.0
192.06021	0.7
197.06023	0.8
199.03992	9.5
200.04796	4.1
201.05559	0.5
202.06325	0.6
204.04265	1.7
211.04059	1.8
213.05518	0.7
214.06377	0.5
227.03487	28.3
228.04254	12.6
229.05156	0.4
232.03714	0.7
246.05373	0.5
249.18530	3.1
281.15488	0.6
283.13364	36.3
301.14420	3.8
309.14948	6.4
311.12881	11.0
325.14435	4.8
327.12317	2.2
327.16058	3.8
329.13843	1.7
335.13013	0.5
340.29599	0.3
343.15488	0.5
353.13913	25.8
371.14932	4.6
499.30545	0.3
503.33685	1.3
547.42474	0.4
607.23730	2.4
769.41675	0.4
784.02112	0.4
795.39465	5.8
813.43750	1.8
821.41754	0.4
839.42157	73.9
840.42816	3.3
857.43164	4.3
1031.48401	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	1031.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02942	16.7
87.00872	3.3
89.02440	0.8
92.10108	0.9
93.03433	9.2
99.04523	0.9
101.02439	0.9
109.02950	2.8
111.04506	2.3
113.02442	0.6
127.04018	4.5
135.04506	3.4
139.86882	0.6
155.03510	0.8
156.45711	0.7
158.03761	0.6
159.04427	0.7
161.02499	1.3
171.02974	0.9
171.04399	0.8
172.05283	3.7
173.04547	2.5
173.06006	1.0
174.03195	2.1
183.04517	2.1
185.06087	0.7
187.03961	0.8
191.05602	100.0
192.06071	0.7
199.04037	6.1
200.04774	2.9
201.05402	0.9
204.04324	2.1
211.04117	0.6
227.03485	19.5
227.10669	0.9
228.04305	8.8
239.10626	0.8
244.85986	0.7
255.10266	17.7
255.13365	0.8
271.13614	0.5
273.11383	5.8
277.21707	2.2
281.11859	6.9
283.09720	7.7
283.13351	3.6
297.11273	3.7
299.09262	2.6
299.12897	6.6
301.10815	3.4
301.14059	0.8
309.15076	2.5
311.13007	0.7
315.12338	0.8
325.10825	17.5
325.14496	1.1
343.11832	8.4
353.13889	2.6
394.00525	0.6
421.94708	0.5
442.53839	0.6
467.31961	0.7
485.32736	2.5
486.32932	0.8
545.27979	1.2
579.20880	4.0
795.40240	3.0
797.41278	3.0
813.43628	0.7
821.41205	0.9
839.42212	76.7
840.42743	3.9
857.42957	3.3
1013.47528	4.8
1031.48340	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	1031.484
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	1.0
85.02941	7.0
87.00859	12.7
87.01235	0.8
93.03445	67.8
94.17762	0.8
94.76102	0.8
98.00965	0.9
105.03423	3.3
107.05040	1.4
109.02942	5.6
111.04523	9.9
113.02526	0.9
119.05032	1.2
121.02998	1.1
124.01640	1.8
125.02441	1.7
127.04002	3.5
129.01950	1.6
132.02151	1.7
133.02940	24.1
134.03735	5.9
135.04506	59.2
137.02394	4.0
139.04004	1.5
143.07426	0.8
145.02950	2.2
150.03224	1.6
151.03979	7.4
155.03481	4.4
160.01633	4.0
161.02414	5.8
173.04539	14.3
173.05913	1.5
177.01881	6.2
178.02626	5.2
179.03493	16.8
191.05602	56.9
215.05556	4.0
249.18755	1.0
307.08737	1.0
308.09052	1.1
327.16211	1.6
351.07114	4.7
634.39392	1.3
839.42346	19.8
1031.48499	100.0
1032.48853	3.6
1048.75391	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	1029.6662
Annotation	Unknow
Peak:m/z	Relative Intensity
79.36172	0.3
89.77288	0.3
92.10912	0.3
93.03429	0.4
94.51817	0.3
97.06582	1.2
116.92836	0.3
127.50020	0.3
137.47264	0.3
158.83066	0.3
189.73001	0.3
191.05615	2.4
210.63246	0.3
379.30075	1.5
387.23273	0.6
387.80533	0.4
389.28720	0.5
391.29898	1.5
409.31387	2.3
417.27939	0.6
419.29578	4.0
423.28839	3.5
435.28650	0.8
437.30594	2.6
439.32288	1.7
451.81509	0.4
453.30014	2.1
455.31668	47.6
456.32010	1.2
465.30075	20.8
466.30862	0.5
467.31714	0.5
483.31149	29.5
484.31387	1.3
485.32700	100.0
486.33063	2.9
525.32220	2.0
543.33252	97.6
544.33569	3.3
719.73914	0.3
834.70264	0.4
1058.60449	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	1029.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
72.66373	0.1
73.02962	0.1
80.59738	0.1
81.03461	0.5
83.05022	0.2
85.02934	8.8
87.00855	4.4
88.70490	0.1
93.03434	11.7
95.01382	0.1
96.95988	0.6
96.99291	0.1
99.00892	0.1
99.04491	0.5
102.55542	0.1
102.71639	0.1
109.02930	1.3
111.00887	0.1
111.04510	2.9
113.02427	0.1
115.00351	0.5
119.05001	2.4
121.98460	0.1
123.16677	0.1
125.02426	0.1
127.03990	2.1
129.01915	0.5
131.04990	0.2
133.02959	0.2
137.02426	0.4
143.04991	1.6
145.02925	0.6
145.06689	0.1
155.03481	1.0
163.03969	1.9
171.02948	0.8
171.04326	0.2
173.04517	7.4
189.03943	0.1
191.05597	100.0
192.06013	0.8
210.06834	0.3
211.07623	2.8
223.07742	0.2
235.07642	0.4
237.09187	0.7
239.10657	0.2
246.59175	0.1
253.08748	0.1
255.10240	0.5
265.08667	2.2
283.09769	0.5
289.05679	0.6
309.07648	0.7
327.08743	8.9
332.53922	0.1
337.03604	0.2
337.09372	0.3
483.12750	0.3
501.13919	1.3
551.02826	0.1
675.19324	54.2
676.19366	1.3
691.18591	1.0
1029.28015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	22.3
71.01720	3.3
73.02943	3.6
78.95915	4.4
85.02959	6.2
87.00882	3.4
89.02447	19.4
97.02987	5.3
101.02441	22.2
111.08140	13.0
113.02441	5.2
113.49706	3.0
119.03472	6.4
125.02393	3.9
155.07367	3.1
169.12404	3.7
197.11801	59.9
197.25067	3.7
211.13426	14.0
225.14905	5.9
235.08260	4.7
241.56566	3.6
273.18701	3.6
277.21732	61.7
291.19659	26.7
309.20718	100.0
397.13461	56.5
415.14697	7.8
503.58948	3.9
631.40747	4.2
656.03784	3.7
675.35986	4.9
707.34302	4.6
903.53595	3.9
1027.46240	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	1029.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	0.1
77.26673	0.1
81.03448	0.5
83.05027	0.6
85.02936	6.9
85.51392	0.1
87.00858	3.6
93.03436	12.4
96.95998	0.1
99.00911	0.4
99.04517	0.2
108.02160	0.8
109.02943	2.6
111.04504	3.1
113.02445	0.1
113.66460	0.1
115.00350	2.7
117.03480	0.2
119.05001	0.6
121.02926	0.1
122.03741	0.5
125.02396	0.2
127.03994	2.4
129.01920	0.2
133.02934	0.8
134.03661	0.1
135.04504	1.4
137.02429	0.6
138.48297	0.1
140.06335	0.1
143.03474	0.2
145.02962	0.4
147.04514	0.4
149.06017	0.4
153.01970	0.1
155.03490	1.0
159.04488	0.1
161.02406	2.5
161.06088	0.1
163.04073	0.7
171.02959	0.6
171.04373	0.2
173.04529	9.7
175.03917	0.1
178.02748	0.1
179.03497	1.2
185.05969	0.1
187.04047	0.2
191.05598	100.0
192.05988	1.3
193.04991	0.1
197.05971	0.1
214.02826	0.2
216.39764	0.1
219.02950	0.2
225.05551	0.7
226.06360	1.7
227.07129	5.7
239.07146	0.9
251.07291	0.2
253.08614	0.8
255.10258	8.1
263.07019	0.5
265.05096	0.1
266.05704	0.4
271.04529	0.4
277.05029	0.1
279.03683	0.1
279.06442	1.0
281.05325	0.2
281.08176	2.2
289.05597	1.8
293.04504	0.1
299.09225	0.2
305.04300	0.2
306.04898	0.1
307.02625	0.2
307.06052	1.8
324.05811	0.1
325.03680	0.1
325.07242	0.7
337.09363	0.2
343.08231	1.8
353.08771	0.2
379.82822	0.1
387.12314	0.1
463.10846	0.4
499.12619	1.1
500.12616	0.1
517.13367	1.9
529.15234	0.8
575.75336	0.1
575.84137	0.1
609.14795	0.1
675.19122	1.1
689.17865	0.2
690.17487	0.2
691.18793	51.9
692.19086	2.5
978.43896	0.1
1010.32172	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	1027.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	1.6
71.05048	0.1
73.02932	0.6
81.03443	1.0
83.01373	0.2
83.05018	1.2
85.02938	11.3
87.00858	4.4
89.02440	0.3
93.03438	14.2
95.01382	0.1
95.05027	0.2
97.02923	0.2
99.00878	0.2
99.04485	0.6
101.02432	0.7
105.00891	0.1
108.02155	0.7
109.02933	2.7
111.04498	2.7
113.02444	0.6
115.03967	0.2
121.02902	0.7
122.03728	0.3
123.04480	0.2
125.02409	0.2
125.09728	0.1
127.03989	3.2
129.01921	0.6
133.02910	0.8
134.03716	1.0
135.04497	1.7
136.01649	0.5
137.02428	15.5
146.03705	0.3
153.01929	0.1
155.03517	1.0
158.03690	0.2
159.04483	2.2
160.01648	0.2
161.02405	0.6
163.11310	0.2
165.12804	0.2
171.02975	1.1
171.04385	0.2
172.05246	0.7
173.04552	4.1
173.06017	0.5
174.03156	0.8
174.06856	0.9
175.03915	0.2
176.04646	0.5
177.01874	0.3
178.02763	0.1
179.03452	0.1
183.13826	0.1
184.05371	0.2
185.06035	0.1
187.03983	3.5
187.07571	0.8
188.04759	2.0
191.05603	100.0
192.05916	1.1
197.06117	0.7
197.15472	0.2
198.06891	0.6
200.04803	0.3
201.05594	0.2
201.83826	0.1
202.02771	0.3
202.06276	0.6
207.13863	0.2
209.11827	9.0
211.13354	0.2
213.05710	0.1
225.14954	5.0
227.03470	0.2
227.12926	0.5
228.04295	0.2
251.12865	0.2
253.09271	0.9
257.15472	0.9
260.25891	0.1
271.16956	0.1
281.15463	0.5
283.13385	1.2
283.16580	0.4
297.14911	0.3
299.16507	4.0
301.14520	0.3
301.17926	0.3
309.14941	3.8
317.17639	1.0
325.14511	1.3
327.16019	11.6
343.15564	0.8
345.17093	1.9
353.13989	2.0
371.14969	0.6
446.25293	0.2
459.34921	0.2
538.44397	0.1
581.25946	0.2
607.23956	0.2
715.35199	0.2
773.36407	0.3
791.38568	1.6
817.36664	3.2
818.36993	0.2
835.37421	3.2
853.38440	0.2
889.40759	13.5
890.42218	0.2
991.40955	0.2
1009.42651	2.4
1010.43939	0.2
1027.43982	22.9
1028.43945	1.1
1061.17566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.7
75.16212	0.4
83.01374	3.9
85.02471	0.4
85.02968	3.0
87.00859	0.5
89.03965	3.1
93.03412	4.9
95.01389	0.9
95.05025	2.0
96.52091	0.5
96.95990	10.8
97.02936	2.6
98.95583	2.6
105.03492	0.7
107.05008	0.6
108.02203	0.5
109.02937	23.0
117.03426	1.2
119.05032	2.4
121.02942	2.9
123.04500	8.1
125.02421	72.5
131.05009	0.7
132.02187	0.7
133.02942	11.8
135.00813	0.5
135.04469	3.5
137.02426	17.5
139.03981	1.7
145.02922	2.4
146.03752	0.8
147.04510	3.4
148.01637	1.1
149.02419	4.8
150.03197	2.7
151.03998	12.3
159.04498	5.5
160.05286	0.8
161.02425	41.0
161.06064	2.8
162.03168	2.1
163.00375	3.8
163.03981	3.5
164.01115	7.0
165.01912	9.0
167.03577	0.7
171.04472	0.6
173.04628	0.8
173.06052	0.7
175.03960	9.7
175.07568	0.6
176.01135	2.3
177.01907	100.0
177.05414	2.9
178.02275	0.7
179.03497	2.0
183.04578	0.9
185.02377	0.6
185.06107	0.5
187.03969	6.2
188.04764	2.2
189.01915	12.2
189.05612	1.1
191.03555	2.2
191.05582	23.4
191.09488	0.5
192.05899	0.7
192.84320	0.5
198.03157	0.6
199.04083	2.0
201.01924	2.8
201.05597	5.1
202.06270	0.7
202.99918	0.5
203.03493	10.8
203.07098	4.4
205.01414	1.9
205.05060	5.2
211.04095	1.6
213.05573	2.0
215.03539	4.9
216.00603	7.1
217.01411	5.7
217.05072	2.8
219.02963	8.0
219.06447	1.5
221.08238	0.5
225.05585	3.3
226.02644	0.6
227.03479	17.4
227.06995	0.6
229.01404	14.3
229.05035	3.1
230.02080	0.8
231.02953	2.8
237.05765	0.6
239.03464	1.0
240.04178	0.8
241.05031	2.4
243.02933	5.6
243.06668	2.2
244.03683	0.6
245.04495	12.1
245.08136	7.0
251.03502	2.5
253.04996	2.0
255.02977	11.2
255.05569	0.6
255.06873	0.7
256.03653	3.7
257.04446	3.7
265.05118	2.0
267.02979	1.0
269.04550	24.2
269.07727	1.1
271.02573	7.6
271.05676	0.9
273.04010	2.2
277.05148	2.4
279.02856	1.2
280.03922	0.8
281.04501	3.3
282.01678	0.6
283.02484	2.1
283.06018	1.1
285.04022	3.7
287.05621	17.5
289.07184	16.4
292.03937	0.5
293.04565	3.0
295.02487	9.5
295.06097	4.9
297.00903	0.6
297.03897	4.0
299.02380	0.7
299.05658	3.5
300.02744	5.7
301.03448	2.0
302.03668	0.7
307.02563	0.6
308.03372	0.7
309.04022	1.9
311.05508	0.9
312.06406	0.6
313.03555	4.7
319.06036	0.8
321.04080	7.6
327.05112	0.6
335.05750	0.7
337.03427	2.5
337.07214	6.0
339.00989	0.8
339.05075	22.1
339.08655	2.1
341.06769	2.7
363.05014	1.9
369.06064	0.7
379.08316	3.1
381.06116	4.2
381.10245	0.6
383.07721	2.5
389.06708	1.1
405.06113	11.4
407.07761	18.0
408.07880	0.6
417.06036	0.9
419.07831	0.8
423.07233	11.9
425.08795	7.8
431.07596	1.0
447.07196	1.1
449.08835	15.9
451.10193	6.2
463.08789	4.2
465.08853	1.1
541.11145	0.9
543.09814	0.8
559.12262	1.1
563.13849	12.1
565.12866	0.7
567.09204	1.2
575.11871	19.3
577.13733	9.9
585.10632	4.4
614.11121	3.7
615.11774	1.1
687.11725	2.1
695.13904	3.4
705.12775	3.0
719.13483	0.6
723.13776	0.9
737.15186	14.5
738.16077	0.7
857.17920	5.0
875.18097	5.9
1027.23206	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	1025.493
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	4.2
72.99356	1.8
78.95918	2.3
84.35593	2.4
85.02981	2.4
89.02448	4.2
92.63531	2.0
93.03468	2.1
96.99282	4.5
97.02939	2.8
101.02460	4.5
109.05903	1.8
109.06596	13.6
111.02962	2.3
113.02459	2.5
125.02467	2.3
131.77509	2.3
141.01688	100.0
163.11237	3.0
191.05536	2.7
207.10236	25.9
219.09984	3.6
225.11250	15.4
229.08424	12.3
234.17726	2.2
243.04910	2.3
247.09482	34.8
277.21741	15.4
397.13504	16.1
407.92273	2.1
409.95386	2.5
419.11621	10.3
437.12692	8.0
451.30621	2.5
507.30508	3.0
605.24774	9.0
883.46814	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.589
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	43.9
72.99290	2.1
73.02934	18.9
75.00877	0.5
81.03501	0.5
81.25205	0.4
83.01370	8.2
83.01795	0.6
85.02940	18.1
87.00869	2.9
87.04501	2.9
87.55774	0.4
89.02428	34.1
93.03443	2.9
93.04935	0.4
95.01397	3.9
97.02928	2.5
99.00841	4.8
101.02423	46.5
101.06044	3.7
109.02939	0.6
111.00871	1.0
113.02434	27.5
119.03481	12.5
123.91156	0.4
125.02435	3.2
127.03942	0.5
131.03474	2.3
134.03697	0.5
135.04503	2.6
137.02446	0.7
137.09708	0.8
143.03468	5.4
145.02890	0.5
149.04529	1.0
151.04053	0.4
159.02977	2.0
159.10260	0.9
161.02388	1.0
161.04524	9.3
163.51797	0.4
163.77589	0.4
173.04510	2.5
173.11697	0.5
174.03137	0.5
177.01900	0.8
179.05617	3.2
185.11829	0.8
191.05602	18.2
195.06607	12.6
199.04044	0.6
227.03482	0.8
228.04239	0.5
243.02954	0.6
253.18011	0.7
255.19647	9.3
283.13342	0.9
285.04034	2.7
288.89050	0.5
297.20636	0.6
321.20679	0.5
341.06482	0.8
351.12573	0.7
353.13852	2.2
359.27991	4.9
381.23209	0.5
397.42676	0.5
399.23883	43.5
400.24356	1.7
417.24933	51.3
418.25183	1.9
459.26010	100.0
460.26202	3.3
461.27173	0.6
501.32175	1.0
502.32196	0.7
503.33737	4.5
507.22345	0.7
521.33337	27.9
521.41254	0.9
522.33752	2.1
523.22229	3.9
523.34009	0.7
815.34967	1.8
833.36383	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	1025.6326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05023	3.0
83.54306	0.5
98.01878	0.6
99.04463	0.6
101.06062	1.3
152.73619	0.6
157.34596	0.6
175.44106	0.6
191.05627	0.8
302.95184	0.5
303.71960	0.6
335.94919	0.6
337.25128	0.6
377.28564	2.2
379.30087	8.3
389.28625	2.6
391.30136	8.1
393.28104	2.5
397.31122	3.3
407.29898	0.6
409.31107	8.9
423.28589	0.7
427.32025	2.3
435.29208	0.6
441.29971	3.9
483.31122	30.0
501.32208	62.1
502.32590	2.3
914.44659	0.7
1025.63245	100.0
1026.62585	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	1027.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01344	4.8
85.02947	1.5
87.00863	0.7
89.03949	2.9
91.01873	1.0
92.10117	3.1
93.03442	4.1
95.05019	1.0
96.95978	0.8
97.02979	2.4
107.05018	0.9
108.02149	1.6
109.02939	26.0
111.85706	0.6
117.03446	1.4
121.02957	3.2
122.45206	0.7
123.04498	9.3
125.02419	91.0
130.45244	0.6
133.02940	14.4
135.00923	0.9
135.04488	4.6
137.02432	18.8
139.03990	1.4
145.02930	1.3
146.03732	1.0
148.01672	0.9
149.02437	5.2
150.03224	4.0
151.00336	1.6
151.03978	12.8
159.04475	4.7
161.02420	47.7
161.06062	1.6
162.03201	2.7
163.00319	4.6
163.04028	3.5
164.01160	7.7
165.01903	7.1
167.03519	0.9
171.04543	0.7
173.02339	1.0
174.03200	0.7
175.03961	11.6
175.07658	1.1
176.01135	3.6
177.01904	100.0
177.05360	2.3
178.99811	0.8
179.03453	3.8
183.04468	0.9
185.06209	0.8
187.03981	6.6
188.04776	1.4
189.01930	15.3
190.02715	0.7
191.03629	1.3
191.05595	13.9
192.05972	1.3
199.04004	4.1
201.01941	3.6
201.05573	4.6
203.03494	8.5
203.07114	4.0
205.01416	1.7
205.05078	4.6
206.41457	0.7
210.34241	0.7
211.03986	2.7
212.04826	1.2
213.05487	2.6
214.02596	1.0
215.03503	5.8
216.00620	6.9
217.01430	7.1
217.05046	4.4
219.03003	1.2
219.06573	0.8
221.08176	0.8
225.05592	1.5
226.02745	0.7
227.03465	20.0
227.07040	1.0
228.04204	1.6
229.01389	18.2
229.04881	5.1
230.05722	0.7
231.02904	2.6
237.05583	0.9
239.03760	0.9
241.04944	2.6
242.02150	0.9
243.02977	7.1
243.06572	2.8
244.03719	0.9
245.04495	16.7
245.08133	6.6
251.03427	1.4
253.05057	1.1
255.02985	17.6
255.06592	1.2
256.03622	3.7
257.04465	4.1
267.02890	1.1
267.06580	0.8
268.03470	0.7
269.04526	22.8
269.07251	1.3
271.02451	17.0
271.05710	1.4
271.06177	1.2
272.02945	1.0
273.04071	3.0
277.05109	1.6
281.04590	4.0
283.02319	2.8
283.06018	1.2
285.03906	5.8
287.05591	25.1
289.07205	18.0
293.04648	2.7
295.02457	9.0
295.06088	2.8
297.04138	5.2
297.07233	0.9
299.05637	2.9
300.02783	19.2
301.03433	5.3
309.04013	1.1
311.05722	1.3
313.03519	4.2
321.04041	10.2
323.05478	0.8
325.03561	1.0
327.05130	2.7
335.02185	1.0
337.03479	0.9
337.06882	4.9
339.05099	21.6
339.08789	2.4
341.06567	3.8
353.06760	0.7
363.05090	2.7
369.05905	1.5
379.08124	3.0
381.06247	4.3
383.07751	0.9
389.07132	0.7
399.07175	1.0
405.06116	11.6
407.07767	20.9
417.06424	0.7
419.07736	1.0
423.07211	11.0
425.08627	6.1
447.07031	1.6
449.08749	17.2
449.14694	0.8
451.10019	5.4
491.09833	0.8
505.09787	10.4
543.09619	3.1
559.12238	1.1
563.13965	1.3
567.09369	1.6
569.10266	2.5
575.11914	21.7
575.20844	1.0
577.13934	10.2
585.10590	6.4
614.10541	3.4
621.28058	0.8
687.11639	1.5
694.26123	0.7
695.14166	2.8
705.12183	4.6
723.13953	1.0
737.15265	17.4
857.17145	4.4
875.18445	6.0
1027.22827	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	1023.6405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	1.4
81.90721	0.6
83.05050	0.9
83.59324	0.5
83.79914	0.6
89.02458	1.1
96.17603	0.6
101.02442	2.7
113.02432	1.2
130.99818	0.6
148.31818	0.6
161.04570	0.6
161.27846	0.6
163.11258	1.1
165.12863	0.9
183.58205	0.7
209.11829	58.8
227.12840	7.1
235.08203	4.7
253.09277	6.9
253.49692	0.7
273.05066	0.7
277.21704	93.6
278.22101	1.3
291.19534	0.8
299.20154	100.0
300.20511	2.9
373.51218	0.7
435.00848	0.6
445.20929	1.1
467.96442	0.6
495.34219	0.8
513.30322	1.1
692.75220	1.0
772.36993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	4.5
79.11552	2.0
89.02440	4.8
90.99116	2.3
92.10056	4.3
97.02960	2.8
101.02424	5.5
101.76072	2.7
104.02697	2.0
109.06577	3.9
131.72191	2.3
141.01685	100.0
163.11212	5.1
188.52562	2.2
207.10283	30.5
219.09978	5.3
222.23093	2.3
225.11250	14.9
229.08382	9.4
229.66432	2.7
243.04805	3.7
243.12270	2.3
247.09447	27.9
277.21713	13.7
379.12091	2.6
397.13235	9.5
419.11411	3.9
437.12512	5.3
507.30566	3.7
605.24487	4.9
623.25787	3.0
627.22589	3.7
697.33929	3.2
883.47681	22.7
941.36096	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	1021.6597
Annotation	Unknow
Peak:m/z	Relative Intensity
92.10811	1.3
158.98579	0.7
164.91238	0.8
164.97850	0.8
191.05621	5.2
401.28784	0.9
407.29657	3.3
409.31241	3.0
421.31323	5.5
425.30423	2.7
437.30560	1.3
441.33752	8.3
451.27982	0.8
453.30310	1.7
457.33261	6.4
473.32684	4.4
485.32617	10.2
503.33783	100.0
504.34167	11.2
505.34497	3.4
515.30328	0.9
517.31116	9.5
683.88641	0.9
704.39996	0.8
718.21552	0.8
1021.65491	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	48.6
71.05060	0.5
72.99286	1.1
73.02930	14.4
75.00885	0.5
76.58617	0.4
77.30711	0.4
83.01363	8.9
83.01777	0.5
83.87287	0.4
85.02937	24.1
86.00085	0.4
86.49106	0.5
87.00850	4.2
87.04490	5.3
89.02421	26.0
95.01363	4.9
95.15356	0.4
97.02961	1.9
99.00862	5.8
101.02420	47.1
101.06065	8.9
111.00861	1.8
112.01660	0.5
113.01629	1.0
113.02431	30.0
119.03463	11.2
125.02464	1.9
131.03462	0.8
143.03470	2.6
146.71754	0.4
159.02962	3.4
161.04532	11.5
163.73508	0.5
165.12787	0.5
169.12210	0.7
171.13947	0.7
179.05542	1.9
179.14455	0.8
183.27391	0.5
185.11905	0.5
185.15254	0.6
191.05563	2.1
255.19598	3.3
297.20657	2.5
304.98013	0.5
339.25232	0.7
351.21622	0.6
357.26508	0.9
362.19424	2.8
381.22681	0.9
399.23853	87.0
400.24280	2.5
417.24911	57.4
418.25174	1.1
453.97299	0.5
459.25995	100.0
460.26321	3.7
519.31720	44.9
520.32355	2.0
772.34747	0.6
861.84985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
73.34083	1.4
77.06874	1.3
83.05016	14.5
93.03464	3.4
95.47503	1.5
111.04560	2.0
149.02271	1.5
163.15607	1.7
179.03391	1.5
191.05621	13.9
226.74684	1.8
299.84912	1.6
311.23727	8.5
323.23703	1.9
341.24802	31.3
369.24146	2.0
375.52600	1.6
377.28500	2.4
397.27219	2.2
407.29636	6.3
425.30759	6.8
440.32843	1.7
451.28476	32.8
455.31805	2.0
469.29724	3.2
470.30978	1.7
481.29709	11.6
499.30804	23.6
500.31219	13.5
501.31577	8.2
502.32666	2.4
517.31250	1.8
519.33099	9.8
520.33624	6.9
521.34637	7.7
674.30975	1.8
722.26801	1.7
800.91162	1.7
991.60321	1.8
1021.60205	100.0
1022.61365	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	1019.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.2
71.05006	1.0
72.99274	0.2
73.02939	0.3
75.82401	0.2
83.05022	1.2
111.08173	0.2
154.31146	0.3
165.54465	0.2
191.05557	1.1
341.24966	1.5
377.28430	0.4
391.94592	0.2
399.32602	1.0
406.28833	0.4
407.29474	0.5
411.32434	0.3
439.32278	1.9
451.28500	4.0
452.29102	0.7
455.31573	0.8
457.33426	0.4
467.31729	0.3
471.30728	0.3
473.32669	8.6
475.34341	0.3
481.29401	1.6
482.29816	0.4
485.32776	2.6
499.23346	0.5
499.30676	15.6
500.31116	3.0
501.32190	4.4
517.31628	1.3
518.31586	0.8
519.33240	100.0
520.33649	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	1017.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.2
83.01379	0.3
85.02923	0.4
92.10175	1.0
93.03429	1.5
105.12643	0.2
107.01377	2.5
108.02190	1.1
109.02928	1.5
113.02415	0.2
117.95750	0.2
119.01373	0.3
121.02933	1.5
125.02393	0.4
135.00899	0.7
139.03912	0.2
147.00867	0.2
148.01672	1.2
149.06070	0.2
151.00348	9.1
153.01959	0.2
159.04478	0.2
163.00349	2.0
164.01047	0.3
165.01830	0.2
169.01422	0.7
173.04491	0.4
174.03244	0.2
178.99832	4.0
187.04015	0.3
191.05586	5.9
199.04042	0.3
203.03493	0.3
211.03975	1.1
226.02687	0.9
227.03488	2.6
229.05060	0.7
239.03462	0.3
243.02959	9.2
244.03459	0.3
245.04530	1.4
254.02228	1.7
255.02963	26.2
256.03339	1.0
257.04361	0.2
271.02457	49.2
272.02975	3.1
273.03751	0.8
283.02359	1.4
299.02002	1.4
300.02731	100.0
301.03473	28.5
302.03699	1.6
343.04367	0.3
463.08939	1.9
467.15546	1.8
505.09879	75.6
506.10254	3.2
507.10178	0.3
508.09787	0.2
871.03760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	0.1
83.01397	0.5
85.02985	0.2
85.75567	0.1
95.01414	0.2
107.01379	2.2
107.13324	0.1
108.02130	1.1
109.02950	1.0
113.02467	0.5
121.02940	1.3
124.01660	0.1
125.02450	0.6
135.00868	0.7
135.04509	1.5
145.03029	0.1
148.01649	1.1
149.02408	0.2
151.00362	10.7
153.01779	0.1
161.02464	0.3
163.00339	2.0
164.01085	0.6
165.01868	0.2
169.01418	0.5
173.13661	0.1
175.02519	0.2
178.99838	3.9
183.04480	0.2
187.03955	0.3
189.02051	0.2
189.85286	0.1
191.03728	0.1
191.05588	0.7
192.00592	0.2
199.03993	0.5
201.05565	0.2
203.03436	0.5
207.17764	0.1
207.72655	0.1
211.04018	1.0
213.05612	0.1
215.03493	0.6
216.04269	0.2
226.02783	1.2
227.03537	2.3
229.05069	0.8
239.03412	0.2
243.02985	8.5
244.03506	0.5
245.04460	0.8
246.22043	0.1
254.02190	2.0
255.02980	24.2
256.03397	0.8
271.02472	47.7
272.03040	2.8
273.03839	0.7
283.02417	1.1
285.04071	0.7
287.05621	0.9
299.01932	1.4
300.02753	100.0
301.03479	29.0
302.03806	1.3
323.42929	0.1
341.02802	0.2
403.85956	0.2
463.08804	4.2
503.08261	0.2
505.09891	69.3
506.10223	3.2
507.10449	0.6
700.03101	0.1
730.24860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.5
76.08899	0.1
79.27998	0.1
81.03450	0.5
83.05012	0.6
83.05476	0.1
85.02939	5.7
87.00863	3.1
93.03437	11.4
99.04494	0.3
109.02957	0.7
111.04510	2.4
113.02435	0.2
115.00301	0.1
117.03456	0.5
119.05006	3.3
125.56609	0.1
127.03979	2.0
129.01921	0.3
137.02466	0.2
145.02942	3.5
155.03502	0.6
163.04007	2.9
171.02977	0.5
173.04521	6.3
173.06053	0.2
191.05598	100.0
191.27475	0.1
192.05949	1.1
211.07642	0.5
223.07596	0.7
237.09175	0.2
247.07613	0.1
265.08691	0.6
296.99335	0.1
327.08667	1.1
337.09387	1.7
444.45047	0.1
483.13071	0.6
501.14099	0.6
609.14722	0.3
675.19330	37.2
676.19849	2.1
763.82269	0.2
768.16064	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	1013.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.6
73.02949	0.1
81.03451	0.5
83.05020	0.5
85.02936	6.0
87.00861	2.8
89.01480	0.1
93.03434	11.1
94.03780	0.1
99.04507	0.3
109.02917	0.6
111.04504	2.1
113.02454	0.1
115.04021	0.1
117.03449	0.7
119.05006	3.2
122.92110	0.1
126.58341	0.1
127.03986	2.0
129.01901	0.5
137.02382	0.3
143.03455	0.1
145.02939	3.5
155.03470	0.8
163.03989	2.8
171.03021	0.6
173.04515	5.9
191.05595	100.0
192.05945	0.9
198.39128	0.1
211.07616	0.3
223.07573	0.5
237.09114	0.5
247.07613	0.3
265.08636	0.4
283.09708	0.3
286.10052	0.1
309.07651	0.5
327.08707	1.2
337.09274	1.8
457.15125	0.1
483.12534	0.5
501.13898	1.0
675.19312	37.2
676.19586	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	1012.6849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05019	0.6
72.09151	0.5
78.95891	6.0
92.10857	0.9
94.79174	0.5
111.35409	0.6
112.50614	0.5
125.09673	1.2
152.99539	2.2
168.04352	0.8
191.05664	0.7
191.84657	0.6
213.43651	0.6
224.06834	3.3
255.23282	47.0
299.40179	0.6
349.29019	0.8
377.32224	2.8
393.31543	3.5
395.33179	16.9
397.31271	3.6
405.31308	1.4
409.31183	1.2
413.34235	18.6
417.02023	0.6
423.32635	10.8
439.32230	2.5
441.33768	1.0
480.30933	45.2
481.31287	0.8
499.34280	14.3
516.33838	2.4
517.35339	100.0
518.35699	1.1
548.88788	0.6
1012.68402	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	1013.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
73.77237	0.1
76.43481	0.1
76.44581	0.1
76.55936	0.2
79.20503	0.1
83.01385	0.7
93.03458	0.2
106.04690	0.1
107.01374	1.6
108.02164	1.1
109.02934	0.6
111.78221	0.2
121.02944	1.3
135.00854	0.7
148.01633	1.0
151.00351	6.9
155.05045	0.2
159.04495	0.3
163.00325	2.1
164.01128	0.8
169.01468	0.2
178.99826	3.6
183.04521	0.2
187.04034	0.2
190.99843	0.2
191.05544	1.3
192.00620	0.2
198.03125	0.2
199.04007	0.7
203.03542	0.2
211.04007	0.9
215.03574	0.3
216.04231	0.3
226.02742	1.0
227.03508	2.8
229.05057	0.3
239.03569	0.2
243.02971	8.7
244.03734	0.2
245.04585	1.4
254.02187	1.7
255.02975	25.3
256.03378	0.2
271.02466	52.0
272.03122	1.7
273.03995	0.7
283.02438	1.1
299.02002	1.9
300.02740	100.0
301.03494	25.1
302.03912	0.2
463.08856	3.7
484.59433	0.2
505.09900	70.3
506.09891	2.1
549.08569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	11.9
73.02939	1.5
76.55444	0.8
78.53040	0.9
82.00203	0.9
82.00690	0.9
83.01385	1.2
83.58558	1.0
84.74816	0.8
85.02959	4.3
87.00887	1.5
89.02436	12.9
101.02428	10.0
112.08535	0.9
113.02460	8.8
119.03434	1.5
125.02369	5.9
143.03516	1.1
161.00749	0.8
161.04567	3.3
174.29167	1.0
179.05583	1.7
195.13858	9.8
199.53496	0.9
221.06438	1.0
223.13319	4.9
235.08177	3.5
256.13300	1.1
275.20160	10.4
277.21692	39.1
278.22043	0.9
287.07443	1.0
293.21225	100.0
332.99316	0.9
367.47363	0.9
379.12308	3.4
397.13525	28.5
415.14490	7.9
673.34753	1.2
675.35449	1.7
691.35406	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	1011.6688
Annotation	Unknow
Peak:m/z	Relative Intensity
72.92618	1.4
96.95992	1.9
106.56262	1.6
147.42273	1.7
148.38780	1.8
191.05595	3.2
250.39822	2.0
393.32004	2.6
423.32791	8.2
425.34244	3.6
441.33838	5.5
460.77652	1.9
467.31561	3.3
469.33273	6.0
487.34283	100.0
523.31830	8.5
685.33209	2.1
691.48511	1.8
858.87488	1.8
932.33899	1.9
1011.64545	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	1011.6685
Annotation	Unknow
Peak:m/z	Relative Intensity
80.13486	0.3
86.19120	0.4
120.59454	0.4
160.41815	0.4
186.31668	0.4
191.05574	1.8
251.73874	0.4
382.72250	0.4
487.34262	100.0
488.34448	3.5
489.38181	0.4
523.31946	26.6
524.32581	0.6
772.13385	0.5
834.33527	0.5
1011.66064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.24
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.5
85.02950	0.5
87.00851	0.5
91.05503	0.4
93.03439	1.7
109.02946	0.6
115.00354	0.4
116.62197	0.3
117.03453	3.5
119.05007	1.0
121.02886	0.4
125.02412	0.4
131.04933	0.3
133.02913	2.7
135.04515	2.7
145.02979	0.4
147.04498	1.2
149.02409	1.1
149.06026	0.4
151.00333	0.6
158.57082	0.3
159.04419	0.5
161.02388	3.3
161.06120	0.3
163.00406	0.6
163.03993	1.4
165.01965	0.5
167.03345	0.3
171.04588	0.3
173.06088	0.3
175.02454	1.0
175.03972	2.8
177.01868	1.3
177.05530	1.5
179.03510	1.3
180.04218	0.3
185.02473	0.6
186.59892	0.3
187.03989	0.3
189.01892	0.4
189.05585	1.2
191.03484	2.0
191.05566	4.7
193.01379	0.4
193.80347	0.3
197.06035	0.5
199.04008	0.5
201.01877	0.6
201.05510	0.3
203.03490	1.8
205.05045	0.6
216.49538	0.3
217.05070	0.5
221.04506	0.5
224.08345	0.4
225.05557	0.5
229.01460	0.3
233.04449	0.7
241.04964	0.4
245.04457	0.4
253.04988	0.7
253.08745	0.4
255.02876	0.3
255.06512	0.5
267.06641	0.5
268.07397	1.4
269.04538	1.1
271.02316	0.4
281.04553	1.4
282.05350	2.2
283.06137	5.4
284.03241	1.8
285.04053	4.4
293.04532	0.6
295.06113	6.3
296.06918	3.2
297.04044	6.6
297.07663	22.1
298.04926	4.5
298.07959	0.8
299.05630	3.8
301.03473	0.4
307.06055	2.1
309.04330	0.7
309.07703	2.9
311.05615	4.9
314.04184	0.4
321.04056	0.4
323.05676	5.8
323.09314	0.5
324.06381	1.0
325.03769	0.4
325.07178	8.0
327.05099	16.2
328.05872	5.5
335.05746	2.2
337.07251	3.4
339.05280	2.3
341.06711	1.4
349.07159	0.6
351.05072	0.5
353.06671	45.4
354.07108	1.5
355.08075	1.4
356.05301	1.5
357.06171	13.8
365.06628	9.5
367.08197	0.4
369.06259	1.0
379.08170	0.5
381.06128	1.2
383.07733	39.5
384.08063	1.1
395.07553	4.0
397.09219	0.4
399.06934	0.3
402.06683	0.3
407.07648	1.9
413.08817	5.7
425.08804	4.9
429.08212	0.5
437.09042	0.3
443.09857	6.0
447.09357	18.1
448.09515	0.4
455.09964	0.6
473.10904	4.6
503.11893	3.0
545.12872	0.5
563.14075	100.0
564.14514	4.0
600.00732	0.4
625.13391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.24
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.5
85.02950	0.5
87.00851	0.5
91.05503	0.4
93.03439	1.7
109.02946	0.6
115.00354	0.4
116.62197	0.3
117.03453	3.5
119.05007	1.0
121.02886	0.4
125.02412	0.4
131.04933	0.3
133.02913	2.7
135.04515	2.7
145.02979	0.4
147.04498	1.2
149.02409	1.1
149.06026	0.4
151.00333	0.6
158.57082	0.3
159.04419	0.5
161.02388	3.3
161.06120	0.3
163.00406	0.6
163.03993	1.4
165.01965	0.5
167.03345	0.3
171.04588	0.3
173.06088	0.3
175.02454	1.0
175.03972	2.8
177.01868	1.3
177.05530	1.5
179.03510	1.3
180.04218	0.3
185.02473	0.6
186.59892	0.3
187.03989	0.3
189.01892	0.4
189.05585	1.2
191.03484	2.0
191.05566	4.7
193.01379	0.4
193.80347	0.3
197.06035	0.5
199.04008	0.5
201.01877	0.6
201.05510	0.3
203.03490	1.8
205.05045	0.6
216.49538	0.3
217.05070	0.5
221.04506	0.5
224.08345	0.4
225.05557	0.5
229.01460	0.3
233.04449	0.7
241.04964	0.4
245.04457	0.4
253.04988	0.7
253.08745	0.4
255.02876	0.3
255.06512	0.5
267.06641	0.5
268.07397	1.4
269.04538	1.1
271.02316	0.4
281.04553	1.4
282.05350	2.2
283.06137	5.4
284.03241	1.8
285.04053	4.4
293.04532	0.6
295.06113	6.3
296.06918	3.2
297.04044	6.6
297.07663	22.1
298.04926	4.5
298.07959	0.8
299.05630	3.8
301.03473	0.4
307.06055	2.1
309.04330	0.7
309.07703	2.9
311.05615	4.9
314.04184	0.4
321.04056	0.4
323.05676	5.8
323.09314	0.5
324.06381	1.0
325.03769	0.4
325.07178	8.0
327.05099	16.2
328.05872	5.5
335.05746	2.2
337.07251	3.4
339.05280	2.3
341.06711	1.4
349.07159	0.6
351.05072	0.5
353.06671	45.4
354.07108	1.5
355.08075	1.4
356.05301	1.5
357.06171	13.8
365.06628	9.5
367.08197	0.4
369.06259	1.0
379.08170	0.5
381.06128	1.2
383.07733	39.5
384.08063	1.1
395.07553	4.0
397.09219	0.4
399.06934	0.3
402.06683	0.3
407.07648	1.9
413.08817	5.7
425.08804	4.9
429.08212	0.5
437.09042	0.3
443.09857	6.0
447.09357	18.1
448.09515	0.4
455.09964	0.6
473.10904	4.6
503.11893	3.0
545.12872	0.5
563.14075	100.0
564.14514	4.0
600.00732	0.4
625.13391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.6378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05009	3.0
72.99320	0.6
83.05013	1.5
93.03452	0.6
97.70508	0.3
125.09712	1.4
135.04448	0.4
174.39856	0.4
191.05598	1.6
218.55077	0.3
291.79401	0.3
319.87637	0.4
325.25122	0.6
355.26364	0.5
370.72131	0.4
395.29221	0.6
397.31146	2.3
398.31467	1.1
413.34311	4.4
414.34799	2.3
415.35095	0.4
441.33627	0.5
442.34137	0.6
457.33270	9.9
458.33572	6.7
459.34192	4.2
460.35001	0.7
465.30396	1.3
471.57779	0.3
479.31366	1.6
483.30939	0.6
485.32791	0.7
486.33185	0.7
493.29230	1.4
503.33801	100.0
504.34152	99.0
505.34421	39.7
505.45563	0.5
511.30298	0.5
525.31647	0.7
817.38086	0.4
1009.63751	25.6
1010.63910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	2.0
73.02954	0.4
81.03424	0.8
83.01357	0.3
83.05032	1.1
85.02937	16.4
87.00856	3.8
88.70171	0.2
89.02430	0.4
93.03435	9.4
94.03768	0.2
95.01376	0.5
99.00847	0.3
99.04494	0.4
101.02413	0.9
109.02916	2.0
111.00820	0.2
111.04531	2.7
113.02492	0.7
113.42058	0.2
125.02444	0.9
125.71201	0.2
127.04002	4.3
132.02174	0.3
133.02963	0.5
134.03728	0.4
135.04510	2.1
137.02397	1.0
147.04544	0.3
151.03873	0.2
158.03775	0.3
159.04498	1.1
160.05281	0.3
161.02446	1.2
163.11272	0.3
165.12790	0.3
171.02959	1.0
171.04410	0.5
172.05298	4.9
173.04521	2.7
173.06015	0.9
174.03204	1.0
177.01901	0.3
179.03445	0.4
183.04555	0.5
185.06058	0.5
186.06792	0.5
187.03990	1.5
188.04834	0.3
191.05608	100.0
192.05949	1.7
193.06033	0.3
197.06189	1.6
199.03996	8.3
200.04800	4.4
201.05441	0.8
202.06358	0.4
204.04282	1.5
209.11803	5.9
211.04022	1.6
211.07669	0.3
213.05603	0.9
214.06361	0.8
215.03354	0.3
224.04785	0.4
226.02719	0.4
227.03497	25.6
228.04254	10.8
229.04681	0.4
232.03769	0.3
239.14522	0.2
255.13911	0.7
257.15579	0.4
267.13879	0.5
281.11700	0.3
283.13391	32.3
284.13739	0.9
285.15018	0.3
297.14954	0.3
299.16418	0.3
301.14465	4.8
307.13455	0.3
309.14944	9.8
311.12936	9.9
311.16406	0.4
325.14413	3.8
327.12366	2.2
327.16046	3.6
329.13904	1.5
335.12860	0.4
343.15564	0.4
345.17227	0.4
353.13947	22.5
354.14157	1.0
371.14984	5.7
503.33987	0.4
589.22894	0.5
607.24078	2.5
747.36450	0.3
773.34125	3.7
791.38007	0.5
799.34930	1.9
816.36041	0.8
817.36499	41.4
818.36780	1.9
835.37677	3.0
859.67255	0.3
991.42798	2.2
1009.42743	19.7
1010.43268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	1.9
73.02946	0.6
81.03439	1.0
83.01389	0.4
83.05013	1.4
84.02164	0.2
85.02935	16.2
87.00857	3.2
87.42097	0.1
89.02420	0.5
93.03434	7.1
95.01373	1.0
97.02917	0.2
99.00866	0.1
99.04482	0.9
101.02405	1.0
108.02168	0.3
109.02930	2.2
110.66565	0.1
111.04498	2.3
113.02453	0.6
115.04031	0.1
119.03469	0.1
122.36321	0.1
125.02431	0.1
125.51910	0.1
127.03985	4.5
133.02943	0.1
135.04451	0.1
137.02415	0.5
146.03720	0.2
150.03255	0.2
153.01935	0.4
155.03491	0.5
156.05746	0.2
158.03680	0.6
159.04477	1.2
160.05278	0.7
161.02400	0.7
163.11270	0.7
171.02963	1.2
171.04494	0.5
172.05272	5.8
173.04509	2.6
173.06018	0.7
174.03203	0.3
183.04472	1.1
183.13850	0.5
184.05263	0.3
185.06024	1.4
186.03250	0.2
186.06819	0.7
187.03983	1.4
188.04742	0.2
189.05594	0.2
191.05597	100.0
192.05931	1.0
196.05202	0.2
197.06081	1.1
198.06810	0.2
199.03993	10.9
199.07616	0.2
200.04781	5.5
201.05565	1.1
202.06303	0.7
203.03590	0.2
204.04288	1.7
209.06154	0.2
209.11809	6.3
211.04013	2.3
211.07607	0.6
212.04738	0.2
213.05531	0.9
214.06343	1.0
223.07574	0.2
224.04688	0.4
225.05571	0.2
225.09276	0.1
226.02655	0.6
226.06154	0.1
226.84837	0.1
227.03481	28.8
227.12759	0.2
228.04253	13.3
229.04846	0.2
230.05635	0.4
232.03751	1.0
238.06238	0.1
239.14384	0.4
240.04221	0.1
241.08630	0.1
241.12381	0.2
242.05797	0.2
246.05310	0.5
253.09352	0.1
255.13873	0.8
257.15424	0.6
265.12573	0.2
267.13837	1.2
281.11920	0.2
281.15436	0.5
283.13385	40.7
284.13733	0.8
285.14911	0.6
297.15060	0.4
299.16568	0.2
301.14413	5.8
307.13235	0.8
309.14938	8.4
310.15436	0.2
311.12906	13.2
312.13464	0.2
323.12872	0.2
325.14423	4.2
327.12332	3.4
327.16052	3.9
328.16443	0.1
329.13916	2.8
335.12952	0.6
337.14365	0.2
339.16052	0.2
343.15567	0.8
345.13223	0.6
345.17090	0.5
351.12317	0.2
353.13943	26.3
354.14407	0.6
369.13187	0.1
371.10275	0.2
371.14969	6.3
373.43713	0.1
403.17575	0.2
427.17673	0.2
445.18710	0.5
449.14420	0.2
537.23376	0.2
545.20197	0.4
563.21857	0.2
565.22992	0.5
581.26190	0.2
589.23273	0.6
607.24109	3.6
633.88129	0.1
655.63989	0.1
747.36060	0.4
755.34479	0.2
773.33875	5.4
774.34515	0.1
775.35321	0.5
786.37024	0.1
789.36780	0.2
791.38184	1.3
794.94464	0.1
799.35950	0.9
817.36536	56.9
818.37018	2.8
835.37476	3.8
1009.42810	11.8
1010.43542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	6.1
71.05011	0.3
73.02949	2.2
81.03470	1.2
83.01382	1.5
83.05041	1.6
85.02937	19.4
86.03295	0.5
87.00866	4.6
89.02436	1.3
93.03439	11.3
95.01380	0.6
95.05019	0.4
97.02940	0.5
99.00875	1.3
99.04521	0.5
101.02427	5.2
101.03034	0.3
108.02193	0.3
109.02951	2.3
109.06564	0.3
111.00882	1.0
111.04488	2.2
113.02438	2.9
120.28245	0.2
121.06616	0.3
122.03700	0.3
125.02421	1.1
127.03985	4.8
129.01930	0.4
132.02162	2.4
133.02921	2.2
134.03725	1.7
135.04494	4.6
136.05270	0.3
137.02370	0.4
137.85512	0.2
146.03725	1.1
148.05298	3.2
150.06787	0.3
151.04013	0.6
158.03722	0.5
159.04475	0.4
160.01631	6.8
160.05270	0.4
161.02414	1.0
161.04552	0.4
161.06004	0.3
162.03233	1.4
163.11244	1.0
165.12738	0.3
171.02988	1.5
171.04466	1.0
172.05267	1.5
173.02385	0.6
173.04550	2.8
173.05939	0.4
174.03195	3.8
174.06993	0.3
175.03920	0.5
176.04749	1.4
177.01888	1.2
179.03494	1.1
183.04486	0.3
184.05246	0.4
185.02420	1.6
185.06050	1.0
186.03194	1.0
187.04019	1.6
187.07642	1.2
188.04840	0.4
191.05608	100.0
192.05910	3.5
193.06105	0.9
195.04562	0.4
197.06053	0.5
199.03989	1.9
200.04836	3.9
202.02846	0.3
202.06447	0.3
206.02229	0.4
207.10184	0.3
209.11827	9.6
213.05579	1.7
224.04770	0.4
227.03488	1.8
227.07254	0.4
228.04152	1.9
239.07053	0.3
255.13870	0.3
257.15466	13.0
271.17203	0.4
273.15033	0.5
281.15445	5.4
283.13358	2.3
283.16681	0.4
284.13846	1.0
285.14996	1.6
297.15045	0.4
299.16513	13.3
299.19946	0.5
301.14359	1.0
307.16931	0.3
309.15109	2.8
311.12860	1.3
311.16147	0.4
313.14087	0.3
317.17621	4.1
325.14468	12.9
326.14893	0.4
327.12369	0.3
327.16025	5.9
328.16315	0.6
341.27072	0.3
343.15512	9.1
345.17020	1.9
351.12106	0.3
353.13959	7.0
354.14301	0.5
355.15271	1.0
355.19299	0.3
371.14911	2.4
399.18021	0.3
503.32419	10.3
504.32797	9.9
505.32907	3.6
579.24518	1.3
589.22949	0.4
607.23712	2.1
773.34351	1.3
789.36346	0.4
799.35876	0.3
816.35388	1.9
817.36475	88.4
818.36926	3.6
835.38007	2.1
863.41229	0.3
991.40546	0.4
1009.42590	12.3
1010.42291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	3.8
73.02938	0.7
77.03972	0.4
81.03457	3.2
83.05040	2.0
85.02943	13.2
87.00858	15.3
93.03436	76.0
95.05009	1.7
99.00884	1.6
99.04507	0.9
101.02431	0.5
105.03455	5.2
105.11409	0.4
107.05017	0.9
108.02168	3.0
109.02953	7.3
111.00869	0.7
111.04497	11.1
111.05236	0.4
113.02467	0.6
115.03983	0.8
121.02945	2.6
122.03732	0.8
123.04517	0.9
124.01644	4.4
125.02402	2.0
126.03193	1.5
127.04027	3.4
129.01903	2.3
132.02171	3.6
133.02936	44.0
134.03729	10.8
135.04501	76.8
136.05281	0.5
137.02405	5.6
139.04034	2.3
149.02434	1.6
150.03201	3.7
151.03984	9.3
155.03471	3.6
157.27452	0.4
159.04433	0.7
160.01634	4.9
161.02419	12.8
162.03159	0.7
163.04013	0.7
171.02957	0.7
173.04524	21.8
173.06024	0.9
174.03214	0.6
175.03879	0.5
177.01923	9.3
178.02699	8.3
179.03481	19.2
187.04083	0.6
191.05597	100.0
192.05901	1.0
209.11848	6.2
211.13408	3.5
215.03712	0.7
215.05576	6.5
226.62347	0.4
228.04161	0.7
283.13391	2.0
299.16626	0.5
301.14429	0.6
307.08264	1.9
308.09018	1.0
309.14932	2.5
311.12906	0.6
325.14493	2.1
327.16153	4.1
329.13843	0.5
343.15616	1.0
351.07254	7.9
353.13983	3.7
439.32031	0.6
440.32596	0.7
441.33868	2.5
442.34213	1.7
443.35229	0.6
485.32825	0.6
486.33411	0.5
503.33777	4.3
504.34338	3.9
505.35025	2.3
535.39697	0.5
558.18848	0.4
563.22229	0.4
773.38293	0.7
791.38818	0.7
799.35785	2.2
817.36475	23.9
817.51434	0.9
818.38165	0.6
835.37915	2.8
878.82208	0.5
885.48291	0.5
991.40900	1.5
1009.42792	99.4
1010.43695	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	1007.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54712	0.4
71.01369	40.4
71.05028	0.5
71.48309	0.4
72.10490	0.4
72.99304	2.1
73.02933	12.6
73.03323	0.6
74.06084	0.4
80.83750	0.4
83.01375	7.6
85.02938	20.6
87.00886	2.9
87.04496	6.0
89.02431	21.2
89.02955	0.9
92.10199	0.9
93.03474	1.7
95.01378	4.3
95.53481	0.4
97.02946	2.1
99.00850	5.2
101.02425	39.6
101.06062	10.0
105.71674	0.5
111.48379	0.4
112.01652	1.7
113.02438	22.5
115.04020	0.5
119.03490	9.5
125.02440	2.4
129.01909	0.7
131.03372	0.4
135.04500	0.9
140.99129	0.4
143.03506	4.0
149.04581	0.7
149.13306	0.6
159.02950	2.1
161.04530	11.5
178.49658	0.4
179.05614	2.9
183.31725	0.5
191.05603	6.6
255.19627	3.0
276.95151	0.4
277.76788	0.5
279.19434	0.5
297.20718	1.7
341.06598	0.4
351.21683	0.8
381.22754	10.8
399.23865	100.0
400.24292	2.2
417.24936	56.8
418.24942	0.7
443.23428	0.6
459.26010	57.7
460.26587	0.8
720.38049	0.4
786.83923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99197	0.4
70.22347	0.3
71.01368	3.7
71.05009	0.9
73.02920	0.4
81.03436	3.3
83.05011	2.4
85.02941	12.1
87.00857	14.6
89.03976	0.5
90.66267	0.3
93.03439	74.2
95.05006	0.9
97.02963	0.5
99.00856	1.8
99.04498	1.4
101.02435	0.6
105.03439	4.4
107.05041	0.5
108.02164	2.0
109.02944	6.8
109.06567	0.8
109.12517	0.4
111.04508	10.8
113.02453	0.8
115.04039	0.5
121.02923	3.0
122.03687	0.4
123.04526	1.4
124.01643	3.9
125.02422	2.5
126.03213	0.8
127.03992	3.7
129.01927	2.7
132.02133	3.9
133.02937	42.0
134.03725	9.3
135.04504	81.5
136.05283	0.8
137.02408	6.3
139.03996	2.3
149.02457	1.3
150.03203	4.8
151.03995	9.3
155.03517	3.6
159.04376	0.7
160.01646	5.1
161.02415	11.9
161.06046	0.6
162.03128	0.8
163.04027	0.7
171.02913	0.6
172.05347	0.4
173.04526	19.1
173.06038	0.8
177.01894	10.7
178.02687	6.8
179.03481	20.5
180.04240	0.4
181.05005	0.4
187.03976	1.4
189.05548	0.5
191.05602	95.3
192.05896	0.8
202.02571	0.5
205.93405	0.4
207.10258	2.4
207.43340	0.4
211.13396	1.6
215.05591	6.1
225.11313	2.4
226.66946	0.4
227.03613	0.5
228.04283	0.7
237.48767	0.4
281.15332	0.5
283.13290	0.4
301.14569	0.6
307.08234	1.5
308.09003	1.9
309.14963	2.3
311.12979	0.5
325.14413	1.5
327.15945	3.1
343.15076	0.5
351.07269	7.3
352.08017	0.9
353.13889	3.9
367.26566	0.6
371.15106	0.5
458.66986	0.4
473.32648	1.9
501.32086	1.9
502.32474	2.9
503.33990	5.3
519.33124	2.0
520.33917	0.5
573.47784	0.4
620.90271	0.5
739.63849	0.4
771.36169	1.5
789.37317	0.7
797.34143	0.8
815.34967	20.7
816.35260	0.8
833.36609	0.9
989.41168	1.3
1007.41217	100.0
1008.41437	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	1005.6649
Annotation	Unknow
Peak:m/z	Relative Intensity
81.86852	1.8
83.05024	2.3
88.44633	2.2
93.03449	4.2
94.54286	1.7
98.21429	1.7
113.58958	2.4
121.77766	1.7
125.02407	1.9
131.17709	1.9
135.04498	3.5
191.05638	17.2
406.28879	2.3
419.29465	3.8
421.31369	2.5
439.32120	2.4
441.33670	4.0
457.33118	3.4
473.32785	2.5
483.31067	32.3
485.32648	3.2
501.32230	100.0
502.32593	15.2
503.33740	64.7
837.99805	2.1
855.02948	2.1
1004.55597	2.3
1005.43347	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	1007.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	2.0
73.02943	0.8
75.90096	0.2
76.56321	0.2
81.03442	1.0
83.05040	1.1
85.02936	17.7
87.00863	4.0
89.02423	0.9
92.10114	0.4
93.03438	8.1
93.04031	0.3
95.01350	0.3
97.02924	1.0
99.04505	0.5
101.02443	1.0
109.02928	2.5
109.06578	2.1
111.04504	2.0
113.02458	0.5
121.06586	0.2
125.02415	0.5
127.03996	4.0
133.02980	0.3
135.04520	0.8
137.02399	0.4
158.03767	0.3
159.04477	1.2
160.05252	0.3
161.02399	0.4
163.11252	0.9
171.02962	1.3
171.04375	0.6
172.05284	5.0
173.04581	2.7
173.05946	0.5
174.03189	1.2
181.12390	0.2
183.04454	1.0
184.05255	0.2
185.06046	1.1
186.03111	0.3
186.06731	0.3
187.03981	1.4
191.05602	100.0
192.05974	1.1
197.06027	1.3
198.06880	0.4
199.04004	9.8
199.07755	0.3
200.04776	4.2
201.05522	0.8
202.06299	0.4
202.88492	0.2
204.04272	1.5
207.10283	4.1
209.11926	0.2
210.02937	0.3
211.04124	1.8
211.07591	0.9
213.05559	1.0
213.93546	0.2
214.06253	0.8
225.11247	1.7
226.02710	0.7
227.03488	23.5
228.04254	9.9
232.03796	0.3
239.14397	0.3
240.04286	1.0
242.05957	0.3
246.05263	0.2
253.12152	0.2
255.13782	0.3
257.15433	0.3
267.13852	0.4
281.15503	1.0
283.13379	33.5
284.13696	0.9
285.15021	0.2
295.13474	0.2
297.14859	0.3
299.16116	0.2
301.14432	5.5
307.13336	0.9
309.14975	7.8
311.09320	0.4
311.12903	10.4
325.14478	4.2
327.12329	2.3
327.16028	4.0
329.13901	2.8
335.12976	0.4
342.14713	0.2
343.15564	0.5
345.13248	0.3
345.17047	0.7
351.12427	3.7
352.12814	0.3
353.13947	21.7
354.14285	0.4
369.13345	0.8
371.14957	6.1
406.01654	0.2
439.32141	0.4
445.18335	0.2
501.32248	2.9
503.33499	0.5
520.37848	0.2
563.21161	0.3
589.22449	0.5
607.24017	3.8
704.33630	0.2
745.35583	0.2
753.34137	0.3
771.32550	4.8
772.33966	0.8
773.34216	0.8
787.35889	0.4
789.36578	1.1
797.33710	2.0
815.34912	59.3
816.35339	4.0
833.35938	4.0
972.20697	0.2
989.39014	0.4
990.39313	0.2
1007.41260	9.2
1007.62555	0.3
1008.41516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6517
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02962	0.6
83.05007	5.7
92.10899	1.2
95.05058	0.6
119.08721	0.7
162.51740	0.6
191.05539	4.4
191.64966	0.6
259.98413	0.6
341.24811	7.3
377.28424	1.2
405.27979	0.7
407.29810	4.4
421.26724	0.9
451.28568	18.4
455.31744	3.7
469.28992	1.0
481.29593	20.0
482.30173	0.8
485.32397	1.2
499.30667	100.0
500.30878	6.1
501.32260	2.5
502.31967	1.0
503.33725	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	1004.6588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75599	0.3
74.22913	0.4
78.95891	2.7
93.03442	0.4
101.16997	0.4
101.75508	0.4
146.98770	0.4
147.41978	0.4
152.99545	0.6
166.70464	0.4
184.98061	0.4
191.05618	2.0
220.80438	0.4
224.06892	0.8
243.13449	0.5
277.21698	19.9
278.22037	0.7
359.07034	0.4
439.33246	0.4
487.34274	100.0
488.34586	4.4
501.32040	0.5
502.21866	0.9
502.29355	29.3
503.29938	0.7
523.73022	0.4
1004.65826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.524
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73651	2.5
71.01382	12.1
87.00887	3.9
89.02441	13.2
90.60507	3.2
94.91954	2.6
101.02445	11.9
108.04083	3.6
113.02441	11.7
125.02486	3.7
141.01700	41.7
153.46399	2.9
156.32439	3.0
164.35135	2.9
169.79900	2.8
188.36760	3.0
209.11815	100.0
209.13782	4.1
227.12828	6.7
231.10016	11.0
249.11067	15.4
255.23291	54.0
337.23428	3.4
379.12537	15.3
397.13574	33.6
415.14792	3.3
419.11594	3.2
437.12802	11.1
485.67953	3.1
487.34033	15.7
527.05579	3.4
563.67944	3.0
589.25079	4.4
607.26227	4.2
631.77856	3.2
635.36310	4.2
648.12518	3.3
653.37433	11.1
675.35760	18.2
684.28564	3.7
803.40973	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	1003.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16483	0.2
70.74931	0.2
73.02940	0.4
81.03443	0.2
85.02962	0.2
93.03433	0.2
99.92567	12.3
114.93389	1.2
116.92841	100.0
116.97234	0.9
117.01923	0.9
117.92832	0.7
191.05585	1.1
192.06039	0.2
771.92084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.6512
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58501	0.4
73.02930	0.7
74.71261	0.4
79.68314	0.3
83.05029	4.2
84.96665	0.3
86.30056	0.5
106.36440	0.4
122.66956	0.4
125.99519	0.4
133.02872	0.5
137.04376	0.4
191.05620	3.7
205.57591	0.4
309.28568	0.5
311.23871	1.0
341.24872	7.4
361.25330	1.9
375.26767	0.5
377.28491	2.4
387.27203	0.4
389.28598	0.7
393.31671	1.0
397.27737	0.6
405.28171	0.7
407.29474	4.4
421.27454	1.6
423.33063	3.2
425.29630	0.6
425.34421	2.1
451.28500	21.3
455.31836	0.6
469.28906	0.9
469.34201	1.3
481.29614	14.1
482.29297	0.4
485.32715	5.8
499.30667	100.0
500.31064	3.2
501.32016	1.8
502.32437	0.6
503.33804	21.6
503.41125	0.8
504.33734	0.6
682.51855	0.5
781.84857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02957	0.3
91.78265	0.2
92.10133	0.6
92.46383	0.2
99.92563	11.8
100.78436	0.2
114.93386	0.9
116.92841	100.0
117.01930	0.8
117.92867	1.0
147.50772	0.2
166.61308	0.2
191.05609	0.7
242.25517	0.2
471.34344	0.3
472.34543	0.2
732.63354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	0.4
73.02953	1.0
78.95899	0.8
80.96507	0.3
85.02970	0.4
90.16219	0.2
92.10084	0.6
93.03457	1.6
99.00863	0.3
99.92571	12.8
111.53387	0.2
114.93406	1.1
116.92849	100.0
116.97206	1.9
117.01934	0.9
117.92844	0.9
191.05603	2.0
255.23242	0.2
258.61319	0.2
335.17670	0.3
360.61990	0.2
396.25708	0.2
453.55460	0.2
558.24463	0.4
558.74957	0.3
559.25000	1.3
902.35217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.404
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39237	0.4
78.95866	0.6
81.01550	0.4
81.60783	0.4
87.64732	0.4
93.03438	1.0
98.70659	0.5
99.92558	13.3
114.93343	0.5
116.92843	100.0
116.97232	2.3
117.92847	1.9
128.75592	0.4
135.04427	0.5
191.05556	3.2
255.23308	0.7
455.82309	0.5
520.26849	0.5
558.24414	0.9
559.24866	2.0
559.75024	0.7
567.64899	0.5
836.91388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6343
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05008	1.3
73.02929	0.4
76.17153	0.2
77.58569	0.3
79.82011	0.3
83.05020	5.7
85.02911	0.3
101.06079	0.5
175.11357	0.3
189.12733	0.5
191.05600	3.1
280.90057	0.3
311.23773	1.7
321.21826	0.3
323.23755	2.3
324.24017	0.4
341.24747	2.9
355.26440	0.4
361.25278	0.3
363.27020	3.6
373.25171	0.4
375.26962	0.7
377.24271	0.4
377.28522	3.7
378.29150	0.5
379.29996	4.7
381.31863	0.4
389.24698	0.4
389.28638	5.3
390.29001	1.0
391.30051	1.8
393.28159	1.0
405.28015	1.1
407.29562	6.0
408.30228	0.6
409.31155	21.6
410.31348	0.4
411.29260	0.5
419.29678	0.3
423.29108	0.6
425.30685	2.4
427.32990	2.2
435.28970	0.6
437.30460	1.1
439.28445	0.5
441.30054	0.5
451.28806	0.5
453.30075	8.6
455.31708	3.4
457.33118	1.6
458.34244	0.4
469.29553	3.1
470.29797	1.1
471.31030	3.9
481.29620	18.5
482.29865	3.2
483.30579	1.8
499.30676	100.0
500.31036	20.7
501.32150	85.5
502.32611	2.8
520.75128	0.3
727.18121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6441
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	2.9
69.07040	16.7
71.04941	2.8
71.08603	32.1
79.05460	26.2
81.03386	3.8
81.07019	46.6
83.08591	16.9
85.02878	6.1
85.10157	18.9
90.28830	2.5
91.03915	3.0
91.05442	29.7
93.07017	29.9
95.08574	44.4
97.02857	3.9
97.06463	4.9
97.10152	10.8
105.06974	16.5
107.08556	25.3
109.06437	2.6
109.10120	82.0
111.08070	4.3
117.06957	4.9
119.08553	13.9
121.10082	4.1
123.11711	3.2
131.08528	3.2
133.06450	2.5
133.10080	5.8
135.11635	4.2
145.10080	13.7
147.11629	3.5
149.13222	3.6
159.11627	4.3
163.06027	3.5
173.11659	17.9
218.77191	2.9
227.12712	5.6
229.14264	68.5
239.23572	5.0
257.18912	5.0
269.17416	5.5
275.19958	15.7
293.60193	3.6
313.27249	100.0
331.22479	4.0
349.23712	20.9
379.30783	2.8
413.21362	3.1
467.37076	56.1
507.40225	65.5
547.43170	16.5
587.46490	51.1
605.47058	4.5
615.18427	3.0
619.48993	12.2
651.44629	5.9
961.67426	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	991.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	4.2
69.07054	0.5
70.85406	0.3
73.02898	3.3
79.05453	2.7
81.03408	1.7
81.07041	2.6
82.13412	0.3
83.04979	0.5
85.02878	4.1
85.03311	0.3
86.68543	0.3
91.03913	2.9
91.05483	2.2
92.09380	0.4
93.07002	3.0
93.60197	0.3
95.04973	0.8
95.08573	1.7
97.02866	5.4
101.02378	1.6
105.07017	0.5
107.08586	1.4
109.02865	0.4
109.06604	0.4
109.10112	0.6
119.08543	0.6
121.10122	1.6
127.03926	1.6
133.10104	0.4
135.11713	0.4
147.11662	0.6
185.04295	0.5
190.35339	0.4
199.52371	0.3
208.63713	0.4
243.08260	2.6
333.20419	1.8
347.09323	2.7
363.09067	0.5
365.10800	0.6
405.13541	6.1
439.19354	0.6
453.20950	0.8
519.29120	6.9
545.24969	0.5
551.27826	3.7
681.34344	7.1
713.33270	4.1
717.42261	0.4
829.50562	0.7
955.35724	0.5
991.55719	100.0
992.55573	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	991.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	3.0
69.07041	0.4
71.01334	0.3
71.04964	0.4
73.02895	3.5
78.09298	0.3
78.78596	0.3
79.05457	3.0
81.03403	1.4
81.07019	3.1
85.02873	6.7
91.03913	2.9
91.05467	1.8
93.07021	2.3
95.04929	0.5
95.08569	1.9
97.02857	5.2
99.04439	1.3
101.02357	2.5
105.07017	1.4
107.08578	0.6
109.02869	0.6
109.10148	0.5
115.03925	0.4
117.07010	0.7
119.08564	0.7
121.10116	0.5
127.03864	0.7
127.21740	0.3
131.08531	0.5
133.10045	0.5
133.28256	0.3
135.11653	0.4
147.89790	0.3
149.13156	0.4
185.04245	1.2
239.89571	0.3
243.08458	1.8
329.58609	0.3
333.20300	2.6
347.09467	3.2
353.03000	0.3
363.09174	0.3
365.10611	1.9
405.13605	6.9
519.29071	6.5
551.28143	2.9
615.24255	0.3
681.34210	7.3
713.33392	2.7
829.50580	1.3
991.55676	100.0
992.56006	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	996.6078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07038	13.9
69.35080	2.6
71.08612	26.1
73.02869	3.7
79.05472	15.8
81.03408	6.4
81.07024	32.4
83.04960	12.5
83.08599	18.7
85.02854	23.3
85.10165	20.1
91.03923	3.5
91.05447	14.3
93.06998	12.9
94.79428	2.7
95.08571	35.3
97.02888	6.2
97.06522	3.2
97.10140	15.6
99.55265	3.6
105.06990	3.8
107.04913	2.9
107.08583	16.4
109.10122	55.5
113.09661	3.1
113.20174	3.1
119.08511	4.3
123.11693	3.7
125.09570	6.5
131.08612	3.2
145.10069	3.9
168.45334	2.5
173.11725	16.4
199.13251	5.3
213.71507	3.1
227.12859	5.4
229.14307	35.6
247.31796	3.2
267.15915	3.0
279.43552	2.9
283.15308	3.2
301.16434	16.7
313.27249	100.0
326.33530	3.2
354.22751	2.9
399.23495	13.1
437.36197	3.5
455.37152	6.8
467.37152	42.0
539.38934	16.1
557.40112	4.6
611.06860	3.1
637.46704	60.0
835.19446	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	989.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	4.0
73.02895	4.2
79.05471	3.3
81.03408	0.7
81.07024	2.5
83.04961	0.6
85.02888	5.1
91.03923	2.9
91.05450	1.0
92.09248	0.9
93.07037	1.5
93.72549	0.7
95.08603	1.5
97.02852	5.2
107.08614	0.7
127.03910	0.9
143.71423	0.6
185.04294	1.4
213.18643	0.7
218.76250	0.7
243.08391	2.4
331.18842	2.5
347.09482	1.5
405.13345	7.6
501.75601	0.8
519.29321	6.7
549.26715	2.5
681.34741	6.6
711.32568	0.9
735.31384	0.9
748.46521	0.8
827.49347	1.0
989.54077	100.0
990.53546	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.6
73.02903	1.6
75.56009	1.2
76.95295	1.3
79.05493	1.7
81.06994	2.0
85.02870	2.4
91.03967	1.6
93.07027	2.0
95.08591	1.6
97.02869	5.1
107.88164	1.3
127.03899	1.3
186.10318	1.8
188.08899	1.3
243.08510	2.0
405.13538	4.8
417.49908	1.3
471.69016	1.7
513.79333	1.4
519.28882	2.8
543.22809	1.4
549.26642	5.5
591.96954	1.4
597.42114	1.6
625.29230	1.4
642.74286	1.6
681.34564	4.9
711.32489	2.1
740.43378	1.5
793.22815	1.9
800.09515	1.7
989.54120	100.0
990.53766	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	987.6528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	0.5
69.07039	7.5
69.66609	0.5
71.04967	2.3
77.03879	0.6
77.92216	0.5
79.05453	15.5
81.03376	3.8
81.07022	24.5
83.04945	5.5
83.08583	5.6
85.02879	0.9
85.06515	2.3
89.33752	0.5
90.65951	0.5
91.05436	18.3
92.09290	1.2
93.07003	32.9
95.04935	6.7
95.08566	46.8
97.06479	2.3
97.10102	1.0
99.08057	5.8
101.05923	0.7
103.05431	0.7
105.06990	40.4
107.04900	1.0
107.08554	98.0
109.06461	5.1
109.10120	18.5
109.10854	0.8
109.72178	0.6
111.08049	1.3
115.05423	0.7
116.06155	0.7
117.06967	7.8
119.08533	100.0
121.06477	3.6
121.10094	36.9
123.08019	20.9
123.11639	6.6
125.05956	0.7
125.09589	3.5
127.07478	0.7
128.06133	0.8
129.06929	5.7
131.08516	35.6
131.75894	0.6
133.06462	1.1
133.10075	51.0
135.08003	14.9
135.11636	22.4
137.05902	1.4
137.09546	6.1
137.13223	2.4
139.07515	0.9
141.06860	0.7
142.07739	3.1
143.08496	15.1
144.09290	1.3
145.10072	64.0
147.08035	3.6
147.10469	1.2
147.11636	32.6
149.09602	4.2
149.13194	10.1
151.07515	3.4
151.11148	1.1
153.09053	4.4
154.07896	0.6
155.08540	4.7
156.09312	3.6
157.10074	25.4
158.10884	3.5
159.07993	3.0
159.11624	37.5
161.09564	13.0
161.13188	39.3
163.07472	4.7
163.11101	5.0
163.14758	14.2
165.09070	0.8
165.12706	1.0
167.08627	0.8
169.10034	9.4
170.10818	3.6
171.11609	22.4
172.12379	1.4
173.09557	8.0
173.13182	35.8
174.24245	0.6
175.11174	8.3
175.14748	27.1
177.09093	1.3
177.12708	5.0
177.16322	10.0
179.10568	5.1
179.14214	8.3
181.10014	2.1
181.12157	1.1
182.10809	2.4
183.08188	0.8
183.11603	11.7
184.12448	1.0
185.09593	3.8
185.13182	24.1
187.11197	7.1
187.14743	60.9
189.12643	9.8
189.16313	13.8
191.10544	0.8
191.14250	6.9
191.17804	1.1
193.12160	2.5
193.15964	0.7
195.11597	5.2
196.12387	0.9
197.13200	9.6
198.13962	0.8
199.11115	3.6
199.14757	20.0
201.12643	6.2
201.16307	28.2
203.14247	12.9
203.17926	4.1
205.12218	2.3
205.15816	7.3
207.11765	1.2
207.13747	3.2
209.13208	5.6
209.15279	2.2
211.14763	9.1
213.12750	3.2
213.16272	18.2
215.14262	14.9
215.17812	7.6
217.15810	5.5
219.13788	2.6
221.13173	2.0
221.15309	3.7
223.14742	4.1
223.16771	1.3
225.16354	6.3
227.14226	3.9
227.17827	5.9
229.15793	10.4
229.19313	4.0
231.13774	1.4
231.17293	4.7
233.13231	1.2
233.15266	8.6
235.14745	1.1
235.16905	0.9
237.16338	3.7
238.16916	1.0
239.14143	2.3
239.17886	3.8
241.15787	4.9
241.19394	4.6
243.17366	5.9
245.15329	3.8
247.14680	1.0
247.16853	5.6
249.16508	1.0
251.17828	3.9
253.19363	4.1
255.17186	1.3
255.20932	0.8
257.15231	0.7
257.18823	0.9
259.16858	7.3
261.18414	2.2
263.17877	2.3
265.19382	2.1
267.17529	1.1
267.21005	3.3
269.18655	0.7
271.20468	0.9
273.18619	1.1
275.20102	2.1
279.17355	1.0
279.21017	2.4
281.18863	2.4
283.17053	0.6
283.20575	1.1
285.18430	1.2
285.22009	0.7
287.20032	2.5
289.19308	0.9
291.21136	0.7
293.22516	1.2
295.20584	0.8
295.24103	0.8
299.19876	3.6
305.22476	3.2
307.20581	1.2
307.23996	1.2
313.21506	1.2
315.23428	0.9
319.24268	1.0
321.25543	4.0
323.23651	2.4
325.21371	1.3
331.24097	1.4
333.21860	1.1
335.23535	0.7
337.25366	1.0
349.25085	2.3
351.23035	2.3
361.29126	0.7
365.24640	1.0
367.26105	6.7
373.28653	0.8
375.30380	2.4
377.28342	2.6
379.29736	2.7
385.28400	3.2
391.29697	5.4
393.31387	3.3
395.29684	5.0
403.29874	18.0
404.30228	0.7
405.31332	2.6
409.30753	4.1
411.32422	1.2
419.29254	3.0
421.30835	77.3
422.30942	1.2
423.28085	16.7
423.33154	3.3
431.29245	2.9
437.30307	8.2
439.31888	99.3
440.32291	1.3
441.29684	35.6
449.30341	26.4
455.31268	2.7
457.32928	28.6
467.31400	85.0
468.31747	2.2
485.32422	60.1
486.32599	1.3
503.33417	5.1
726.35938	0.6
887.13171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
92.08742	11.9
167.10402	3.7
206.57176	3.5
252.92880	4.7
311.38922	3.4
557.62292	4.4
629.27167	100.0
660.86292	3.8
772.21722	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	987.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99744	0.4
69.03406	2.1
71.04967	0.1
73.02876	0.4
77.70291	0.1
81.03387	1.2
82.49054	0.1
83.01303	0.1
85.02872	6.2
87.04416	0.2
91.03916	0.3
93.03359	0.1
93.61404	0.1
95.04926	0.2
97.02850	2.2
99.04389	0.4
107.04868	0.1
109.02838	1.0
111.00754	0.8
111.04430	0.1
114.64886	0.1
117.06949	0.1
121.02814	1.1
123.04398	0.1
127.03864	1.2
131.04811	0.1
135.04358	0.1
137.02287	2.8
137.03267	0.1
137.05901	0.1
145.04906	0.7
145.06456	0.1
149.02258	0.5
153.01779	3.8
155.04851	0.1
158.07181	0.1
161.05901	0.3
163.03822	0.7
164.61569	0.1
165.01772	2.4
166.02516	0.4
167.03162	0.1
173.05902	0.3
179.03395	0.1
182.63005	0.1
183.02826	1.2
183.04387	0.3
185.05951	0.1
187.03867	0.3
191.03363	0.1
191.07014	0.1
195.02858	0.2
201.05392	1.5
205.04915	0.3
207.02771	0.1
213.05363	0.1
215.03404	0.1
219.02689	0.1
219.06432	0.1
228.04007	0.2
229.04872	5.0
233.04324	0.1
245.04184	0.1
247.05939	0.9
257.04349	3.4
257.07043	0.1
274.04645	0.8
275.05273	0.3
279.06949	0.1
280.95187	0.1
285.03845	1.5
286.04468	0.1
287.05423	0.6
288.05685	0.3
302.03989	0.1
303.04874	100.0
304.05212	1.7
331.15405	0.1
363.75330	0.1
377.01691	0.1
465.09988	0.6
485.72751	0.1
504.27179	0.1
759.30334	0.1
857.51416	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	986.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03390	1.7
69.07041	11.0
71.04957	1.8
72.95137	0.9
73.02895	3.6
77.03936	0.8
79.05460	38.1
81.03380	1.7
81.07026	39.1
83.04957	1.5
83.08603	7.4
85.02885	10.1
85.06496	1.4
90.81852	0.8
91.03933	6.4
91.05445	47.9
93.07009	38.8
94.41071	0.9
95.04932	7.9
95.08563	29.0
97.02840	5.3
97.06482	1.6
97.10143	1.7
98.03022	0.8
103.05396	1.7
105.04514	0.9
105.06290	1.5
105.07001	43.9
107.04888	1.5
107.07879	1.7
107.08558	23.2
109.06509	3.3
109.10129	12.5
115.05421	2.0
116.06204	1.0
117.06982	21.8
119.08540	32.6
121.10101	13.2
123.08021	0.9
123.11645	3.6
125.09567	1.5
127.03879	1.0
128.06195	5.1
129.06963	17.3
130.07729	1.3
131.08519	29.6
132.08844	0.9
133.10085	22.0
135.11656	7.7
141.06956	5.8
142.07759	3.6
143.08514	17.8
144.09300	1.3
145.04907	1.2
145.06447	1.1
145.10089	23.6
147.11642	17.7
149.09630	1.3
149.13220	1.9
153.06883	1.1
155.08501	11.8
156.09361	1.6
157.10098	17.0
159.11636	20.4
161.09497	1.3
161.13179	7.9
163.05945	1.1
165.06966	1.4
166.07719	1.1
167.08507	4.9
168.09291	1.6
169.10071	16.1
171.11632	12.6
173.13211	13.5
175.11148	0.9
175.14801	3.1
179.08469	1.4
181.10068	7.3
183.11629	14.2
185.13194	10.8
187.14789	4.1
189.16536	1.1
193.10094	3.5
195.11591	9.1
197.13242	9.9
199.13136	1.1
199.14760	6.4
201.16319	1.3
207.11610	3.5
209.13182	7.5
211.14719	7.9
213.16327	3.7
221.13202	3.6
223.14726	3.7
225.16264	4.5
225.18608	0.8
235.14851	1.9
237.16299	3.6
239.17812	1.9
241.19507	1.6
249.16316	0.9
251.17813	1.1
257.18958	1.6
259.20468	3.9
267.20804	1.2
323.23456	1.0
333.24054	1.5
335.25824	1.6
337.25305	1.2
403.28091	1.0
447.32437	1.1
501.35461	1.7
513.35406	1.5
517.40479	10.3
525.35193	1.3
535.41315	3.3
576.16571	0.9
591.43829	11.4
609.44934	100.0
610.44958	3.6
621.44330	1.3
643.42780	1.0
651.45142	1.2
717.47528	1.1
753.47693	1.4
771.50281	9.1
810.07013	0.9
889.15967	1.1
890.49042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	6.7
69.07041	36.7
79.05459	71.7
81.03391	4.8
81.07027	100.0
83.04950	6.5
83.08589	19.2
85.02882	5.6
87.47944	3.4
87.97883	3.5
91.03922	4.9
91.05441	71.0
93.07013	86.9
95.04932	19.5
95.08575	59.4
97.02835	5.3
105.06997	59.1
107.04927	5.5
107.08580	45.1
109.10147	26.6
111.08076	5.8
117.06944	27.1
119.08509	31.0
121.10114	32.8
121.95895	4.0
123.11667	7.4
127.03870	6.6
129.06914	5.9
131.08490	41.6
133.10081	24.2
135.11693	21.1
143.08508	9.4
145.10075	19.9
145.71834	3.5
147.11642	17.7
149.09615	5.0
149.13211	9.3
155.08501	4.8
157.10023	5.6
159.11627	23.4
161.13234	5.4
163.11125	5.8
169.10069	5.4
173.13165	5.4
185.13237	4.0
186.91060	4.7
203.14236	4.3
257.19131	5.0
261.22153	6.8
269.17438	9.1
275.20001	21.6
292.09842	3.9
335.25635	73.0
349.23636	20.2
515.37109	16.1
529.38708	32.2
559.23145	4.5
569.41986	8.3
591.28009	5.1
596.93286	4.0
609.45001	62.9
627.46155	13.0
758.00812	4.4
987.57361	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	986.602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03392	8.9
69.07037	23.4
71.01329	1.2
71.04961	5.4
73.02894	1.8
79.05456	77.0
79.28103	0.7
81.03384	11.7
81.07019	100.0
83.04941	10.7
83.08588	13.3
85.02866	13.7
85.06520	4.1
91.03917	4.0
91.05439	61.4
93.07002	80.0
95.04930	14.7
95.08564	62.8
97.02840	8.8
97.06485	10.2
97.10120	7.7
99.08050	1.4
99.93655	0.8
101.02369	1.0
103.05458	1.4
105.04475	1.9
105.06992	44.8
106.40218	0.8
107.04906	5.7
107.08552	48.9
109.02827	1.5
109.06481	7.5
109.10116	29.4
111.04386	1.2
111.08068	5.2
113.09602	1.3
115.05431	1.4
117.06969	23.7
119.08529	30.4
121.06463	3.7
121.10087	32.9
123.08038	4.4
123.11660	6.2
125.09618	3.2
125.79324	0.8
127.03828	3.9
128.06186	1.7
129.06949	4.6
130.07756	1.1
131.08516	26.5
133.06476	1.3
133.10085	27.4
135.08031	3.2
135.11630	19.3
137.09604	3.1
137.13206	1.3
139.11163	0.9
141.06949	3.3
143.08488	7.5
145.04927	1.0
145.10063	21.4
147.08023	1.0
147.11641	11.7
149.09569	8.3
149.13237	10.7
155.08568	4.3
157.10094	7.6
159.11641	16.7
161.13216	5.5
163.11102	4.6
163.14799	2.0
165.12708	1.1
169.10059	1.9
171.11603	6.5
173.04385	1.0
173.11780	1.7
173.13162	11.8
175.14740	1.6
177.12657	1.9
177.16594	1.0
179.14188	0.9
183.11610	3.3
185.13208	4.1
187.11127	0.9
187.14793	1.6
195.13750	3.3
197.13249	3.6
199.14784	1.5
219.17340	1.5
227.12685	1.5
229.14214	6.3
229.19377	1.0
239.18016	1.2
241.19263	1.3
243.21043	1.5
247.20430	1.7
255.15816	3.7
257.18854	3.0
261.22006	9.9
269.17282	13.5
275.19922	14.5
291.19836	1.0
293.20941	0.9
309.20547	3.6
317.24710	1.7
331.22617	1.3
335.25671	89.3
336.26373	1.0
349.23569	17.9
367.24741	1.3
489.35611	6.1
515.37122	15.1
529.38702	64.4
530.38916	1.3
543.40338	1.6
569.41675	16.1
609.44891	36.1
627.45874	11.9
673.42871	1.6
771.49359	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	10.5
69.07044	26.6
71.04967	6.2
73.02889	4.2
77.03886	1.6
77.24442	0.7
79.05461	85.8
81.03394	10.4
81.07026	100.0
83.04956	12.5
83.08591	14.2
85.02868	16.3
85.06519	3.5
91.03902	5.3
91.05442	66.1
92.08670	2.2
93.07007	90.3
95.04938	17.0
95.08570	68.4
97.02840	11.1
97.06496	12.2
97.10133	5.0
99.04437	1.6
99.08041	1.5
102.27603	0.8
103.05400	1.0
105.04491	1.6
105.06993	44.7
107.04916	5.4
107.08562	46.6
109.02880	2.6
109.06477	6.0
109.10125	23.2
111.04436	0.8
111.08068	5.6
115.05422	1.9
117.06973	23.3
119.08539	41.4
121.06449	4.8
121.10093	31.8
123.08016	4.5
123.11652	5.7
125.09615	1.6
127.03868	3.6
128.06152	1.6
129.05464	1.2
129.06937	8.2
129.87120	0.8
130.07735	0.8
130.62440	0.9
131.08522	30.2
133.06441	1.6
133.10081	28.7
135.08038	4.0
135.11639	23.9
137.09573	3.4
139.11176	1.1
141.07004	1.1
142.07707	1.5
143.08466	6.3
144.09264	1.1
145.04922	1.4
145.10074	20.5
147.11662	15.3
149.09590	8.7
149.13216	12.1
151.11104	1.2
155.08519	2.9
157.10094	7.0
159.11633	16.3
161.09529	1.4
161.13190	6.2
163.11113	3.8
163.14754	1.8
169.10028	1.9
171.11597	5.6
173.04391	1.3
173.13181	11.3
175.11096	1.0
175.14735	1.7
177.12685	1.8
183.11626	4.5
183.93025	0.8
185.13200	5.0
187.11121	1.0
187.14754	1.9
195.11646	1.5
195.13780	3.2
197.13206	1.4
199.14787	2.0
201.16327	0.9
205.15747	0.9
209.13286	0.9
211.14900	1.1
213.12724	1.0
217.15758	0.9
219.17355	1.7
235.16838	0.9
239.17883	1.4
243.20953	1.8
255.15793	4.8
255.69005	0.8
257.18942	4.6
259.20456	1.7
261.22067	9.7
269.17337	21.2
275.19971	15.8
291.19568	1.1
309.20309	5.6
317.24695	1.4
331.22446	1.4
333.24005	1.1
335.25681	71.8
336.26071	1.2
349.23657	16.0
367.24466	3.2
410.12064	0.9
489.35782	1.3
515.37158	12.3
529.38702	70.5
530.38873	3.1
543.39746	1.7
547.39642	1.3
569.41724	21.7
609.44922	33.3
627.45953	11.6
637.40668	0.9
673.42798	2.8
771.49854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	10.0
69.07040	25.8
71.04947	1.4
73.02860	1.3
75.80459	0.8
79.05009	1.8
79.05454	44.0
81.03373	7.0
81.06548	2.1
81.07019	49.7
83.04937	6.1
83.08553	9.8
85.02859	5.1
91.03883	1.5
91.05433	29.1
93.07001	37.0
95.04937	13.0
95.08558	35.3
97.02839	10.3
97.06470	4.6
97.10131	14.7
105.04410	1.4
105.06986	19.4
107.04913	9.9
107.08556	23.2
108.70068	1.0
109.06461	2.2
109.10124	16.3
111.08042	1.2
117.06988	11.6
119.04834	1.2
119.08518	16.6
121.06454	4.8
121.10099	12.8
123.08005	4.5
123.11647	1.6
125.09558	7.2
129.06924	4.6
131.08522	14.6
133.06422	2.3
133.10081	7.8
134.07184	1.2
135.08015	4.3
135.11588	7.8
137.09558	4.4
143.08496	2.2
145.10103	11.7
147.07986	6.7
147.11632	7.8
149.09589	1.6
149.13228	4.6
157.10057	2.5
159.11621	5.9
161.09602	1.8
161.13147	2.1
163.11035	1.7
171.11557	1.5
173.13200	1.8
185.13242	1.5
189.11147	1.6
205.12161	1.7
223.13197	23.9
227.12570	1.8
243.21046	2.1
249.14764	4.7
261.22052	2.5
261.61887	1.2
263.19980	1.6
273.18356	12.3
275.19736	1.2
291.19431	100.0
317.24496	1.4
335.25681	50.1
337.94412	1.2
347.21750	1.3
365.23090	52.6
545.38202	4.8
607.43170	2.7
625.44403	88.1
626.44690	1.4
769.76074	1.4
985.54944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	6.3
69.07041	23.3
71.04959	1.5
73.02912	1.0
79.05458	33.6
80.54875	0.9
81.03387	6.8
81.07023	41.2
83.04933	1.9
83.08580	6.8
85.02859	2.4
91.05453	25.1
92.08636	2.2
92.63914	1.2
93.07004	38.6
93.81953	1.0
95.04932	9.4
95.08564	29.1
97.02859	10.8
97.06499	1.3
97.10135	9.9
105.04459	1.1
105.06987	15.6
107.04907	5.4
107.08557	22.1
107.09242	1.7
109.10115	13.9
117.06971	8.6
119.04901	1.1
119.08525	12.9
121.06433	2.0
121.10113	10.8
123.08033	1.8
123.11635	1.4
125.09582	8.8
129.06877	1.1
131.08528	11.6
133.06433	2.1
133.10068	7.5
135.08006	1.4
135.11653	6.0
143.08522	1.8
143.23111	1.1
145.10098	7.9
147.08025	4.3
147.11629	3.8
149.09593	1.5
149.13190	2.3
157.10062	2.2
159.11674	1.7
161.09520	2.3
161.13158	1.8
162.10333	1.5
163.11137	1.2
173.13182	1.3
189.11168	1.4
205.12158	1.2
214.99030	1.2
223.13185	18.2
227.12762	1.3
249.14696	2.2
261.22052	4.3
273.18393	6.7
291.19437	74.7
317.24554	1.4
335.25705	52.0
365.23096	33.4
545.38245	5.5
607.42877	4.1
625.44464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	1.9
69.07042	21.4
71.04945	1.3
71.08607	31.0
73.02879	2.1
74.54358	1.1
79.05466	30.5
81.03383	2.4
81.07028	65.8
83.04947	5.1
83.08590	24.3
85.02863	9.6
85.06525	1.9
85.10147	16.9
91.03920	2.7
91.05449	23.9
92.08607	2.5
93.07008	30.5
95.04931	7.0
95.08569	42.1
97.02848	2.4
97.06498	8.2
97.10123	12.4
105.06995	19.9
106.17954	1.2
107.04943	5.0
107.08566	26.5
108.12624	1.4
109.06479	3.1
109.10126	50.9
109.10876	1.9
111.08049	5.7
111.11742	1.5
117.06987	9.9
119.08553	21.0
121.10107	11.1
123.08020	2.3
123.11668	6.6
125.09600	6.3
129.06894	2.5
131.08553	11.6
133.10095	14.2
135.08047	5.0
135.11646	7.8
137.09592	2.8
137.13219	2.5
143.49849	1.3
145.04883	1.8
145.10077	10.6
147.11652	6.9
149.09581	6.6
149.13208	8.0
155.08527	1.7
159.07996	2.3
159.11656	9.6
161.13120	2.0
163.11174	5.3
173.11700	11.5
173.13135	2.9
177.12679	1.6
183.11597	1.9
189.11156	3.0
201.12558	1.5
227.12715	8.8
229.14291	37.4
239.23734	5.3
257.18869	4.7
257.24594	1.8
269.17310	17.5
275.19962	19.6
293.21121	3.1
313.27283	100.0
335.25858	2.0
349.23718	17.7
367.24686	12.8
390.06775	1.6
413.21362	1.7
467.37207	32.4
507.40311	68.1
547.43024	3.2
587.46527	50.1
605.47583	33.8
623.42413	6.5
640.45313	1.4
857.91699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	17.0
79.05459	33.8
81.03393	3.3
81.07030	38.2
83.04944	2.3
83.08612	2.8
91.05445	64.5
93.07008	33.0
95.01295	11.2
95.04935	11.3
95.08567	27.9
95.60574	1.5
97.06489	13.3
100.71857	1.7
103.05431	2.2
105.06293	2.9
105.07000	85.2
105.07681	3.7
107.04895	12.2
107.08569	21.1
109.10132	8.2
117.06995	18.9
119.08537	46.0
121.10111	12.3
121.96039	1.7
123.08055	2.7
129.06996	9.3
131.08531	23.7
133.10089	41.0
135.08028	2.4
135.11649	7.7
143.08566	6.8
145.10083	17.3
147.11653	23.2
149.09560	2.7
149.13264	3.1
157.10046	3.6
159.11584	19.7
161.13240	11.8
169.10106	3.2
171.11665	7.2
173.13211	3.1
175.14757	1.7
177.12708	2.1
179.14258	3.8
185.13249	2.2
215.18298	1.6
241.19411	8.1
243.21075	1.8
257.18991	1.9
259.20514	19.0
275.19998	24.9
315.23038	3.0
333.24170	27.3
342.57993	1.8
349.23618	29.2
587.22095	1.8
607.43390	100.0
608.43140	6.6
625.44049	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	977.7052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	0.3
69.07040	5.0
70.12892	0.3
70.64583	0.3
71.04924	0.3
73.80075	0.4
77.03876	0.4
79.05457	7.9
81.06544	0.7
81.07023	20.7
83.04947	26.1
83.08582	2.8
85.06488	0.3
91.05436	8.7
92.09399	0.4
93.07004	24.0
95.04926	6.6
95.08566	38.0
96.08883	0.4
97.06485	1.3
97.10139	2.3
99.08107	0.4
103.05403	0.4
105.04480	0.5
105.06992	25.5
107.08556	40.6
109.06458	2.8
109.10117	20.9
111.08037	3.3
111.11645	0.4
115.05391	0.4
117.06960	3.3
119.08533	39.5
121.06431	0.3
121.10094	23.0
123.08015	5.0
123.11652	8.9
125.09579	6.1
128.06180	0.5
129.06967	1.5
131.08525	13.5
133.10077	28.3
135.08038	0.6
135.11646	15.6
137.09595	1.2
137.13240	2.0
139.07462	0.4
142.07753	0.7
143.08502	6.3
144.09299	0.6
145.10078	24.4
146.10864	0.4
147.11641	15.1
149.09579	1.5
149.13205	10.7
151.07448	0.5
151.11153	2.3
153.09068	1.3
155.08553	1.3
156.09282	0.6
157.10081	6.5
158.10881	1.4
159.11626	27.2
160.12433	0.5
161.09569	0.7
161.13191	21.4
163.07570	0.4
163.11176	0.5
163.14758	11.6
165.12646	0.6
165.16344	0.6
167.10564	1.1
169.10069	1.4
170.10849	0.8
171.11624	6.3
172.12381	1.2
173.13187	23.0
175.13229	0.7
175.14755	19.5
177.09161	0.4
177.12761	0.4
177.16309	11.2
179.10667	0.4
183.11653	1.3
184.12444	1.3
185.13196	3.1
187.14751	25.2
189.16310	36.1
191.14223	1.8
191.17892	5.6
193.15868	2.7
197.13181	0.8
199.14754	12.0
201.16313	31.7
203.17899	11.6
205.15788	2.6
207.17456	1.6
211.14764	1.7
213.16306	21.2
214.16801	0.4
215.14597	0.5
215.17877	18.2
217.15811	9.5
217.19460	1.8
219.17406	5.1
221.15289	0.4
221.18889	0.3
223.14729	0.6
225.16322	1.9
227.17905	3.2
229.19484	1.4
231.17273	2.2
233.15372	0.5
233.18933	2.1
235.16801	2.3
237.16234	0.4
239.17938	2.0
241.19392	4.7
243.20987	2.2
245.15202	0.6
245.19080	0.4
247.16910	2.9
249.18521	1.5
253.19402	1.4
255.21007	2.0
257.18762	0.4
257.22766	0.4
259.16800	4.9
261.18402	4.9
267.20999	4.3
269.22552	0.8
279.20996	0.4
281.22507	2.7
283.24277	1.6
285.18503	0.4
287.20096	0.7
293.22552	0.5
295.24249	1.3
299.19778	0.4
301.21439	0.4
307.24191	0.4
311.27295	0.4
325.28806	1.3
327.23044	3.0
329.24634	0.3
333.25909	0.4
333.85532	0.3
341.24677	4.2
343.26224	1.6
349.28812	2.0
357.27740	2.7
371.29373	1.8
377.31839	0.4
389.31943	6.2
391.33398	1.4
395.29193	3.6
407.32913	23.1
409.34589	6.5
423.32419	4.6
425.34216	2.3
427.35648	0.4
435.32437	17.8
443.35089	1.4
453.33463	100.0
454.33752	2.3
471.34509	7.3
486.85223	0.4
489.35526	2.0
636.26379	0.4
711.10645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.7057
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	6.8
71.37103	0.9
79.05459	12.9
81.07024	27.8
83.04951	22.4
83.08578	4.4
91.05451	13.6
93.07010	31.3
95.04951	2.2
95.08571	42.5
97.10069	1.3
102.85228	1.0
105.06992	31.1
107.08557	53.7
109.06487	1.6
109.10119	23.4
111.08057	7.6
117.06996	3.7
119.07738	1.8
119.08543	35.9
121.10099	25.0
123.07987	1.6
123.11656	10.6
125.09586	10.4
129.06961	1.2
131.08517	16.3
133.09085	1.2
133.10091	31.2
135.11642	21.8
137.13295	1.1
143.08519	7.7
145.10080	25.3
147.11630	22.7
149.09592	1.3
149.13213	15.2
151.11055	1.9
155.08498	1.4
156.09212	0.9
157.10089	7.8
159.11621	28.4
161.13203	18.3
161.14426	1.6
163.14757	8.2
169.10040	2.3
171.11575	10.3
173.13196	18.7
175.14784	25.7
177.16319	10.1
179.14183	1.1
183.11566	3.7
185.13179	13.2
187.14749	22.3
189.16310	17.9
191.17912	2.0
193.15785	5.8
197.13211	5.8
199.14738	12.4
201.16309	32.4
203.14290	1.2
203.17880	12.7
205.15932	1.1
207.17383	4.6
209.43845	1.1
211.14725	4.9
213.16290	14.4
215.14227	1.1
215.17851	13.9
217.15880	1.3
219.13623	1.6
219.17358	6.7
223.14752	1.1
225.16312	1.2
227.17821	5.3
228.38289	1.1
229.19402	2.1
233.15314	2.0
233.18964	1.4
239.17828	2.4
241.19447	6.4
245.15298	1.9
247.16878	1.3
253.19330	2.0
255.20964	3.9
257.27548	1.0
259.16788	6.5
265.19498	1.1
267.20993	2.4
271.16852	1.6
273.18564	1.4
279.20999	1.2
283.23950	1.1
285.18375	1.5
287.19809	2.1
307.23682	1.1
336.87949	1.2
341.24603	1.5
349.28784	4.3
350.71185	1.0
377.31805	1.3
389.31799	5.5
395.29306	8.9
407.32916	33.0
409.34695	6.8
423.32465	9.6
425.33832	4.3
427.35617	2.0
435.26541	1.2
435.32391	25.2
453.33472	100.0
471.34744	8.5
489.35403	1.2
498.38898	1.2
700.43176	1.1
827.32605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	2.5
73.02893	2.4
79.05470	1.6
81.07019	4.8
85.02884	5.4
91.03951	1.6
91.05477	1.4
93.07001	2.0
95.08578	2.5
97.02870	6.1
109.02879	1.2
119.08558	1.1
121.10072	1.3
127.03879	1.4
135.06525	1.1
183.65747	1.1
204.70412	1.0
217.83292	0.9
243.08432	1.3
265.03439	1.0
335.25244	1.2
347.09433	1.3
365.10925	1.3
405.13589	6.6
442.27625	1.2
519.29364	7.0
529.74945	1.1
535.28931	5.6
646.47424	1.3
681.34454	5.9
697.34119	5.1
863.59656	1.2
975.56061	100.0
976.56134	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	1.8
69.07051	1.5
70.15313	1.1
73.02880	2.0
79.05478	2.2
81.07017	4.6
85.02892	4.6
87.17078	1.1
91.05475	2.3
93.07042	1.8
95.04945	1.1
97.02885	5.2
103.02577	1.4
105.07018	1.5
118.67062	1.2
143.20958	1.3
146.20177	1.1
150.50883	1.2
151.55988	1.2
159.00444	1.1
165.77780	1.0
241.73242	1.2
315.19183	2.1
365.10483	1.7
384.64697	1.2
397.45554	1.3
405.13867	6.3
413.35312	1.4
519.29608	6.6
533.27191	4.1
681.33905	8.1
695.32196	2.0
973.54578	100.0
974.54303	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	973.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.0
70.47428	2.4
79.05451	4.3
81.06989	4.5
85.02860	3.2
92.09305	5.3
93.06994	2.8
95.08572	3.5
97.02839	4.8
101.02351	2.3
167.34561	2.3
174.72597	2.0
179.34235	2.2
209.67229	2.9
217.56833	2.4
343.91821	2.5
390.32751	2.4
405.13321	4.8
433.36465	2.5
519.28827	8.5
533.26605	8.7
681.34967	6.5
683.02094	2.7
973.54431	100.0
974.53802	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	975.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17137	0.3
69.03400	3.6
69.07040	0.5
71.01340	0.4
71.04975	0.3
73.02889	3.6
77.18199	0.3
77.84023	0.3
79.05475	2.2
81.03403	1.4
81.07034	2.3
82.03681	0.3
85.02873	4.8
86.96793	0.3
91.03934	1.6
91.05454	2.4
93.07001	3.6
95.04999	0.4
95.08586	1.5
97.02856	4.6
99.04386	0.4
101.02370	1.6
105.07025	2.2
107.08575	0.9
109.02898	0.4
119.08563	0.6
121.10157	0.7
127.03870	0.7
131.08621	0.4
133.10178	0.4
135.11714	0.7
141.38309	0.4
147.11653	0.7
157.10138	0.4
161.13272	0.4
172.12032	0.4
185.04276	0.5
201.03760	0.6
203.05225	0.5
209.06871	0.3
243.08394	1.5
259.20514	0.5
301.08990	0.4
329.08679	0.5
347.09262	3.2
363.08917	1.3
364.01648	0.4
365.10724	0.7
405.13605	6.9
463.14682	0.4
465.20798	0.5
475.13989	0.5
477.15463	0.4
519.29059	5.0
535.28796	3.8
559.23383	0.4
681.34088	5.2
697.33710	4.6
734.33948	0.4
813.51141	1.3
899.50134	0.5
911.28784	0.4
975.56171	100.0
976.56403	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	970.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.8
69.07044	24.1
70.53440	1.7
71.04959	4.4
72.16302	2.0
73.02886	4.5
79.05466	82.9
81.03387	2.9
81.07029	99.6
82.72960	1.8
83.04942	4.1
83.08607	10.5
85.02878	18.1
85.06495	3.9
89.65540	1.9
91.03931	8.3
91.05447	66.6
93.07014	97.7
95.04952	16.1
95.08578	79.2
95.09142	1.8
97.02844	15.4
97.06474	4.0
97.10130	3.1
99.08045	3.0
105.07001	56.6
107.07884	3.2
107.08565	50.3
109.06504	2.2
109.10143	26.0
111.08103	2.2
117.06989	19.7
119.08556	40.3
121.10108	40.9
123.11687	7.4
125.37473	2.0
127.03944	2.7
129.06963	11.0
131.08533	28.9
133.10092	36.4
135.11656	20.6
143.08484	4.4
145.10098	20.4
147.11639	24.9
149.13220	10.6
157.10030	3.6
159.11664	20.0
161.13177	13.4
163.11073	2.4
163.14755	2.1
171.11647	4.5
173.13174	11.4
175.14758	3.5
185.13188	2.6
187.14769	8.1
199.14751	4.5
241.19447	7.4
259.20407	17.6
261.22025	4.3
277.21539	9.2
333.24115	16.7
335.25699	100.0
336.21735	2.5
336.25711	2.4
351.25131	33.5
369.84863	2.5
428.62280	2.1
593.45532	3.0
611.46588	68.5
612.46198	3.5
625.17725	2.4
659.35413	2.5
660.36212	2.6
714.33655	2.7
969.57257	14.8
970.57788	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05818	0.6
69.07040	0.5
79.05463	3.4
81.07022	4.0
85.02911	0.6
91.05458	2.4
91.78582	0.4
92.05750	0.5
93.07014	3.5
94.07339	0.6
95.04928	0.6
95.08576	2.6
97.02888	0.6
105.07010	3.3
107.08576	2.1
107.53625	0.5
117.06993	0.8
119.08559	2.3
120.08833	0.9
121.10165	1.1
131.08575	1.1
133.10078	0.7
133.51970	0.5
145.10118	0.5
147.11661	1.2
261.20663	0.5
326.68320	0.5
611.46820	0.9
612.47186	1.0
613.46741	1.0
643.25055	100.0
644.25525	4.3
991.87146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03395	5.4
69.07043	23.7
71.04968	3.5
73.02882	7.5
77.03873	1.5
79.05459	92.1
81.03401	3.4
81.07024	88.6
83.04952	5.5
83.08589	10.2
85.02874	22.1
85.06522	4.8
91.03928	12.0
91.05442	100.0
93.07006	98.3
95.04920	12.9
95.08567	68.5
97.02864	9.8
97.06486	6.0
97.10133	5.3
99.04430	1.4
99.08080	1.2
103.05433	1.6
105.04504	2.0
105.06994	92.2
107.04891	1.5
107.08562	47.7
109.06460	4.9
109.10117	24.1
111.08012	1.6
111.63497	0.9
115.05431	1.2
117.06982	29.5
119.08540	75.3
121.10096	43.0
123.08043	3.7
123.11674	5.5
123.87158	0.8
127.03874	5.0
128.06190	3.8
129.05484	1.5
129.06963	17.4
130.07721	1.6
131.08528	43.6
133.10089	54.3
135.08049	2.1
135.11639	27.2
137.09547	1.6
137.13179	1.5
140.95744	0.9
141.06924	1.3
142.07742	2.0
143.08501	16.6
144.09261	1.1
145.04887	3.7
145.10078	32.9
147.10472	1.5
147.11647	45.6
149.09598	1.5
149.13231	13.6
155.07355	1.0
155.08528	5.3
157.10075	17.4
159.11630	27.0
161.13184	28.1
163.05954	4.7
163.11137	2.0
163.14754	6.0
165.12779	0.9
167.08475	1.3
169.10066	4.5
171.11627	16.3
173.09521	1.6
173.13148	17.0
175.11125	1.1
175.14780	8.0
175.16020	0.8
177.12660	1.2
181.10059	1.4
183.11649	4.8
185.13156	11.8
187.14803	6.1
189.12683	1.2
197.13254	3.5
199.14787	10.3
201.16333	1.5
209.13133	1.1
211.14761	2.0
213.16374	4.2
215.17815	1.9
217.19398	1.2
225.16350	1.9
227.17865	1.1
229.19327	1.1
231.21069	5.7
239.17935	1.3
241.19438	22.6
243.21094	3.3
257.18854	6.2
259.20477	51.5
260.20834	1.5
261.21979	8.6
287.19977	0.9
297.22052	1.4
301.21536	1.7
315.23001	5.0
315.26505	1.1
331.22681	1.0
333.24127	35.5
335.25677	51.5
337.27264	4.5
489.35797	1.4
495.28903	1.8
501.35117	1.2
519.41760	6.9
537.43048	1.3
593.45691	13.1
609.45123	1.4
611.46466	87.1
612.46698	4.8
623.46893	1.2
701.47113	4.4
719.48364	1.8
737.49811	2.2
755.49683	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	969.642
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	8.4
67.05812	0.5
69.03379	0.5
69.07037	5.8
69.66990	0.4
70.47475	0.4
71.04958	0.7
79.05451	11.0
79.43473	0.3
81.03376	5.1
81.07016	15.8
83.04938	5.6
83.05392	0.5
83.08583	5.2
85.02882	1.6
85.06508	0.9
91.05434	14.3
92.07034	0.5
93.06998	24.5
95.04928	8.0
95.06152	0.4
95.08559	34.0
97.06503	1.0
97.10121	1.7
99.08031	6.4
103.05396	0.5
105.06989	31.6
107.04938	0.9
107.08549	70.1
109.06489	3.4
109.10117	14.0
111.08041	2.1
113.05965	0.6
113.09618	0.5
117.06956	6.6
119.08526	72.9
120.08823	0.5
121.06472	1.8
121.10089	26.3
123.08012	24.4
123.11629	4.3
125.05920	0.7
125.09575	2.2
128.06157	0.8
129.06940	4.2
130.07745	0.8
131.08508	24.2
133.06380	0.7
133.10069	41.7
135.08002	8.5
135.11638	17.3
137.05917	0.7
137.09538	3.7
137.13231	0.7
139.07487	0.9
139.11087	0.5
141.06908	0.6
142.07733	2.5
143.08499	11.7
144.09311	0.8
145.10066	50.4
147.07986	2.4
147.11633	22.8
149.09517	3.1
149.13184	7.3
151.07491	2.3
151.11153	1.7
153.09073	3.9
155.08464	3.4
156.09323	2.6
157.10065	14.6
157.11391	0.5
158.10852	2.7
159.08020	1.8
159.11624	29.1
161.09555	9.7
161.13181	31.6
163.07481	3.0
163.11118	4.4
163.14746	11.4
165.06847	0.5
165.12749	2.2
167.08469	0.9
169.10054	7.9
170.10825	3.2
171.10143	0.6
171.11612	15.6
171.13000	0.7
172.12381	0.9
173.09532	6.9
173.13181	25.6
175.11130	6.8
175.14738	19.6
177.09210	0.5
177.12732	3.9
177.16296	7.1
179.10614	3.5
179.14220	6.2
181.10060	2.2
181.12138	1.7
182.10895	1.7
183.11578	8.0
184.12424	0.6
185.09576	2.1
185.13170	16.5
187.11169	5.7
187.14738	46.8
188.15195	0.5
189.12665	7.5
189.16295	9.2
191.10626	0.9
191.14198	5.6
191.17902	0.7
193.10049	1.6
193.12204	1.9
193.15746	0.9
195.11627	3.8
195.13461	0.6
196.12421	0.8
197.13182	7.2
199.11151	1.9
199.14732	15.0
201.12648	4.4
201.16312	21.5
201.18195	0.8
203.14241	8.8
203.17863	2.3
205.12097	1.6
205.15820	4.9
207.11688	1.4
207.13779	2.5
209.13211	3.6
209.15353	1.7
211.14745	6.9
213.12828	3.0
213.16295	12.7
215.14243	10.7
215.17825	5.0
216.14844	0.7
217.12283	0.5
217.15796	4.4
219.13786	2.2
219.17397	0.6
221.13246	2.4
221.15323	2.6
223.14784	3.3
223.16785	1.1
225.12766	0.9
225.16309	4.9
227.14217	1.9
227.17778	4.2
229.15799	6.2
229.19485	2.4
231.13728	1.6
231.17339	3.6
233.15279	7.1
235.14787	1.4
235.16905	0.7
237.16327	2.5
238.16870	0.5
239.14288	0.6
239.17807	3.0
241.15805	3.2
241.19394	5.1
243.17340	4.0
243.21100	0.7
245.15211	2.9
247.14726	0.5
247.16879	3.8
249.16312	2.0
251.17799	1.8
253.19362	4.0
255.17403	1.5
255.21060	0.5
257.18973	0.8
259.16833	5.4
259.20627	0.7
261.18491	0.7
263.17990	0.9
265.19403	2.1
267.17770	1.1
267.20987	2.8
269.18887	0.9
271.20605	0.6
273.18369	2.0
275.20197	0.8
277.19330	0.8
279.21017	1.8
281.18890	2.0
281.21933	0.5
285.18344	0.7
285.22009	0.6
287.19971	3.0
291.20920	0.7
295.20374	1.6
297.18552	0.7
297.21964	0.9
299.20032	2.3
305.22430	0.9
307.20657	0.8
307.24152	1.7
309.22049	0.7
311.20175	0.7
313.21582	0.9
313.25122	0.4
315.23114	0.7
317.22556	0.6
319.24084	0.5
321.22293	0.8
321.25677	3.5
323.23547	2.2
325.21552	0.8
331.23969	0.9
339.22958	0.6
339.26761	0.6
349.25171	4.1
351.23035	2.2
353.24533	0.6
361.28726	0.5
367.26151	10.3
373.28720	0.8
375.30350	2.1
377.28256	3.7
379.29938	1.7
385.28668	2.0
391.29663	3.6
393.31705	2.9
395.29471	6.1
403.29730	11.1
405.31348	1.8
409.30823	1.8
419.29266	1.5
421.30820	81.7
422.31223	1.8
423.28186	12.6
431.29266	2.6
437.30255	6.1
439.31873	100.0
440.32184	2.1
441.29785	47.8
442.30588	0.7
449.30283	15.6
455.31259	1.6
457.33023	3.5
467.31390	54.2
468.31665	1.7
485.32428	33.0
556.42059	0.4
668.48370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	3.0
69.03403	3.3
69.07040	0.8
71.08626	0.9
73.02895	3.4
79.05477	3.5
81.03399	1.2
81.07040	4.3
83.08613	0.8
85.02866	6.5
91.03918	4.1
91.05472	2.6
93.07030	3.1
95.08588	3.5
95.92031	0.7
97.02848	5.3
99.04440	0.7
101.02339	1.3
107.08561	1.0
119.08540	0.7
127.03886	0.8
133.10066	0.6
147.11653	0.8
185.04240	0.7
203.05432	0.8
243.08456	2.7
284.58298	0.5
299.33304	0.5
333.20108	0.9
347.09598	3.0
365.10577	2.4
405.13391	7.2
439.19418	1.4
497.30612	6.3
551.27869	5.1
561.68604	0.6
613.99536	0.7
645.47906	0.8
647.91016	0.7
659.35852	4.9
713.33167	5.5
767.08331	0.7
780.34644	0.6
807.52124	1.3
969.57220	100.0
970.57672	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	968.5918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	22.8
69.07032	4.3
79.05460	44.3
81.07031	25.3
83.04939	11.7
91.05460	22.8
92.08650	3.1
93.06995	39.4
95.08553	20.9
95.55795	2.5
97.10129	3.8
97.83031	2.8
104.11770	2.5
104.28131	2.8
105.06994	21.9
107.04926	11.8
107.08563	25.1
109.10128	18.0
109.83643	2.5
117.06983	6.0
119.08514	18.2
121.10109	9.4
123.11636	5.0
125.01208	2.5
131.08522	5.6
133.10059	12.4
135.11639	4.5
145.10118	4.4
147.11598	5.7
149.09554	25.9
173.13182	3.6
248.22954	2.5
275.19922	20.8
335.25696	22.7
349.23550	20.7
609.44879	100.0
925.22546	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	968.5913
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	22.6
67.14263	0.6
69.06684	0.6
69.07044	10.6
70.23212	0.5
71.04950	0.5
72.47408	0.6
79.05466	19.5
79.13831	0.5
81.03379	3.0
81.07029	27.6
83.04951	2.7
83.08586	3.4
85.02856	0.9
85.06506	0.8
90.30454	0.6
91.05446	24.9
93.07014	22.7
95.01295	2.8
95.04945	5.6
95.08572	18.9
97.06498	7.8
97.10144	0.6
99.08031	0.6
105.06997	35.2
105.27834	0.6
107.04925	8.0
107.08566	10.6
109.06491	1.3
109.10133	3.8
117.06975	7.5
119.08542	19.1
121.06406	0.8
121.10101	6.0
123.04376	1.2
123.08015	1.4
123.11657	0.8
125.09591	0.7
129.06926	0.8
131.08539	10.7
133.10098	18.8
135.07994	0.9
135.11636	3.3
137.09555	1.1
139.77129	0.7
143.08492	0.9
145.10072	7.2
147.11647	6.9
149.09517	0.8
149.13228	1.0
151.11053	0.7
157.10135	0.7
159.11624	4.4
161.13205	3.0
163.11128	2.3
168.53883	0.7
169.10086	0.8
171.11707	0.8
173.13239	1.5
174.42941	0.6
177.12642	1.0
179.14268	5.5
187.11108	1.2
219.17368	9.8
257.18823	2.3
275.19949	20.6
335.25677	17.9
349.23566	11.2
447.84235	0.6
539.23608	1.0
609.44940	100.0
610.44769	3.3
627.45929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.2
69.03410	4.1
69.07050	0.7
73.02895	4.4
73.18867	0.8
81.03397	1.1
81.07026	1.5
85.02895	5.5
86.02560	0.7
91.03923	1.7
91.05457	0.9
92.58586	0.8
92.99497	0.9
95.08576	1.2
97.02879	3.9
170.25960	0.9
291.19470	1.4
347.09601	1.9
399.40515	0.9
405.13474	8.7
417.90903	1.0
497.30942	5.1
549.26868	7.9
634.58801	1.0
659.36353	3.8
711.31934	5.5
805.49280	1.4
854.33185	1.0
914.92480	1.2
967.55609	100.0
968.56238	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	964.6185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05219	3.0
67.05487	57.5
69.03391	7.6
69.07037	22.0
71.08620	29.6
76.43630	3.8
79.05454	42.6
81.03401	4.3
81.07028	81.0
83.08589	24.2
85.02893	9.0
85.06461	3.5
85.10145	14.4
91.03882	3.7
91.05441	44.9
93.07002	50.9
95.04925	4.2
95.08557	47.0
97.10129	9.0
100.44415	3.1
105.07005	30.7
107.08570	25.1
109.10110	19.3
114.44879	3.3
117.06979	16.2
119.08551	17.8
121.10126	15.2
123.11677	5.4
129.06906	4.3
131.08476	14.6
133.10054	8.8
135.11656	15.5
135.46202	4.2
140.57986	3.6
145.10088	17.4
147.11693	5.3
149.13237	8.8
157.13725	3.9
159.11687	4.9
172.34682	3.9
226.14363	3.7
255.15770	15.2
257.18924	5.8
269.17471	32.1
275.19934	17.2
313.27209	100.0
349.23853	26.7
493.38565	23.9
507.40393	63.0
545.96387	4.0
587.46527	41.0
605.47095	16.8
682.96783	4.7
749.51495	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	964.6182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	61.7
69.03410	11.2
69.07045	28.2
71.04967	4.5
71.08605	38.3
73.02885	2.5
79.05468	51.0
81.03402	12.2
81.07029	81.5
83.04964	11.1
83.08595	24.6
85.02885	15.3
85.06527	4.3
85.10161	20.7
85.80296	1.0
89.05987	1.4
91.03938	5.4
91.05448	41.0
93.07012	52.5
95.04947	10.9
95.08571	58.2
97.02874	12.6
97.06502	14.6
97.10123	9.5
99.08065	1.8
103.05505	1.1
105.06998	38.0
105.07677	1.7
107.04920	5.7
107.08565	24.8
109.06490	6.6
109.10126	28.0
111.04459	1.3
111.08058	2.4
111.11723	1.2
117.06986	23.1
119.08545	22.5
121.06491	5.3
121.10116	16.1
123.08009	1.9
123.11669	9.8
125.09595	1.7
127.03883	5.6
129.06955	5.4
130.07834	1.2
131.08524	22.2
133.06433	1.5
133.10088	20.3
135.08000	2.7
135.11650	10.9
137.09552	1.8
137.13225	1.9
141.07001	1.1
143.08554	5.5
145.04890	1.4
145.06436	1.3
145.10088	14.6
145.21866	1.2
147.11665	9.7
149.09613	11.4
149.13213	10.1
151.11189	1.1
155.08487	2.1
157.10123	3.7
159.11613	12.1
161.09560	1.4
161.13220	1.6
163.11134	5.9
169.10054	2.1
171.11664	1.5
173.04488	1.1
173.05995	1.0
173.11844	1.6
173.13290	4.5
177.12660	1.9
181.62851	1.0
183.11597	1.4
185.13171	1.4
192.76245	1.2
195.13771	5.5
199.14888	1.4
217.15764	1.3
227.12657	4.2
229.14326	5.5
229.19327	1.1
239.17894	1.5
239.23581	2.0
255.15761	10.9
257.18997	7.6
257.24487	1.5
269.17374	26.3
275.19962	23.1
309.20502	5.3
313.27261	100.0
314.27432	1.7
331.22476	2.7
349.23599	26.1
367.24414	4.1
413.21555	2.6
467.37152	6.9
493.38828	20.3
507.40314	93.9
508.40305	2.4
521.41766	1.9
547.43286	17.9
559.46826	1.4
587.46521	52.7
588.46405	1.2
605.47363	14.5
651.44690	2.1
749.51563	2.4
795.70093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5837
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.9
69.03408	2.9
73.02898	6.8
77.78006	1.6
78.85046	1.4
79.05486	2.1
81.07029	2.8
85.02895	3.8
88.61478	1.5
91.03954	2.0
97.02886	4.0
101.50043	1.6
164.24991	1.6
193.36673	1.7
204.90579	1.7
219.69202	1.6
225.96265	1.6
263.50226	1.6
405.13611	3.7
519.29382	3.9
521.30737	2.5
681.34363	3.1
683.36896	2.7
718.33405	2.0
961.58264	100.0
962.58722	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04832	1.2
67.05151	5.2
67.05485	25.3
69.03407	9.6
69.06731	1.6
69.07048	27.9
71.08619	17.1
73.02892	1.3
75.49093	1.2
79.05474	16.8
81.03379	6.1
81.07021	25.3
83.04958	3.0
83.08600	13.1
85.02867	8.4
85.06492	1.5
85.10141	9.2
91.03894	2.4
91.05439	11.5
93.07033	13.1
95.04913	7.2
95.08567	24.1
97.02842	11.2
97.06491	2.3
97.10149	17.7
105.07005	11.2
107.04920	5.6
107.08566	14.2
109.10113	11.6
116.20152	1.3
117.06966	6.2
119.08540	8.5
121.06486	5.4
121.10098	2.9
123.08013	2.5
123.11636	2.4
125.09573	7.6
127.60165	1.3
129.06935	3.0
131.08495	6.4
133.06462	3.0
133.10071	2.8
134.07205	1.5
135.08008	2.2
135.11632	1.7
143.08553	1.8
145.06483	1.2
145.10065	5.4
147.08026	3.1
147.11610	1.7
151.11011	1.2
157.10132	2.2
161.09618	1.9
162.10283	1.2
169.09901	1.6
175.11177	1.3
205.12041	1.3
223.13210	25.5
227.12711	5.8
249.14769	2.3
267.15640	1.7
273.18408	10.9
288.87494	1.6
291.19440	94.5
292.19986	1.6
303.27554	1.3
313.23785	2.5
313.27258	62.7
365.23099	49.3
441.23181	1.3
523.39478	2.6
603.46008	100.0
604.46246	2.3
772.13245	1.5
793.15332	1.8
920.59515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	3.7
69.03410	4.3
69.07061	0.8
73.02893	4.7
76.15820	0.6
79.05481	3.3
81.03400	0.9
81.07040	4.1
85.02860	6.5
86.26723	0.7
91.03926	2.8
91.05485	1.2
92.08654	2.0
93.07025	3.2
95.04971	0.7
95.08612	3.7
97.02859	6.9
101.02393	2.8
105.53156	0.7
107.08583	1.4
121.10123	1.1
127.03900	2.5
131.08537	0.7
135.11731	0.6
145.10138	0.7
185.04305	0.9
203.05298	0.7
243.08284	1.7
347.09558	2.6
365.10678	1.5
405.13666	7.3
519.29169	12.4
681.34180	10.0
818.11011	0.8
959.56635	100.0
960.57086	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	956.6286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	100.0
69.06725	3.9
69.07045	31.6
73.02894	5.8
75.42872	4.2
79.05464	45.1
81.07027	100.0
83.08583	19.4
85.02882	11.2
91.03913	9.2
91.05450	33.9
93.07014	57.2
95.08578	85.8
97.02901	5.9
99.62899	4.9
105.07001	23.2
107.08556	32.3
109.10130	35.0
119.08553	18.3
121.10090	39.5
123.11700	4.9
131.08554	9.5
133.09169	4.6
133.10086	15.2
135.11674	9.3
145.10086	9.1
147.11665	6.9
148.67093	5.2
149.13208	6.6
159.11632	7.0
261.22025	10.5
335.25546	46.4
337.27164	48.8
358.55923	4.9
445.37534	4.8
495.90384	5.2
597.48724	33.8
615.49512	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	959.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.0
69.03407	4.1
69.07069	0.6
70.58984	0.3
71.01319	0.4
71.05006	0.3
72.78107	0.3
73.02886	4.7
79.05466	3.0
80.80477	0.3
81.03405	1.5
81.07037	2.6
85.02879	5.8
91.03920	3.6
91.05470	1.6
92.09397	0.5
93.07023	2.6
95.04940	0.4
95.08569	2.4
97.02859	6.2
97.03441	0.4
99.04433	1.2
99.29977	0.3
101.02380	1.4
103.03965	0.4
105.07037	0.6
107.08588	1.1
109.10160	1.2
119.08575	0.4
121.10142	0.7
127.03914	1.8
131.08595	0.3
131.45605	0.3
133.10129	0.5
135.11697	0.6
145.04968	0.4
149.66415	0.3
185.04169	1.1
203.05313	0.7
243.08298	2.8
335.25760	0.7
347.09424	2.5
356.16406	0.3
363.08923	0.4
365.10544	1.3
405.13577	6.7
497.46954	0.3
519.29095	8.7
681.34277	9.6
681.45026	0.5
784.49725	0.3
797.51691	1.7
959.56702	100.0
960.56830	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	953.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	13.1
69.03405	2.4
69.07037	2.7
71.45220	2.7
73.02892	3.9
79.05443	6.7
81.07014	14.2
82.73059	3.5
85.02887	10.1
91.03906	3.6
91.05445	12.5
92.09419	5.2
93.07005	5.5
95.08577	6.4
97.02849	5.2
105.06995	11.1
107.08560	3.8
119.08552	3.0
121.10083	3.4
122.67365	2.5
133.10129	5.2
347.09357	3.3
405.13440	3.9
546.12115	3.3
592.83221	2.9
648.11346	3.3
744.86481	2.9
764.04382	3.1
873.01300	3.4
952.55804	5.4
953.40338	5.4
953.57574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	85.6
68.00619	0.6
69.03396	4.0
69.06672	1.1
69.07040	22.2
71.04955	3.2
73.02876	8.0
76.12798	0.7
79.05457	62.1
81.03376	2.7
81.07024	96.9
83.04939	1.2
83.08583	10.4
83.90910	0.6
85.02870	26.4
85.06507	1.4
91.03922	12.5
91.05443	37.9
93.07003	75.1
95.04927	7.9
95.08567	73.8
95.09039	1.2
96.04466	0.9
97.02843	14.1
97.06478	3.5
97.10141	2.9
99.04395	1.3
99.08054	1.0
103.05419	0.7
105.04470	1.4
105.06992	35.4
107.08562	41.8
109.06465	2.9
109.10114	30.1
111.08031	1.7
115.03884	0.8
117.06974	14.0
119.07737	1.3
119.08540	26.5
121.10105	33.0
123.08006	1.2
123.11676	11.1
127.03886	5.1
129.06964	3.7
130.07785	0.8
131.08527	22.1
133.10075	22.0
135.11649	19.3
137.09644	0.9
137.13188	3.0
143.08495	0.7
145.04927	5.2
145.10089	14.3
147.11652	12.0
149.09607	1.3
149.13216	10.8
152.44995	0.8
157.10060	3.5
159.11627	12.0
161.13194	10.2
163.05971	5.4
163.14742	6.6
169.10016	0.9
171.11641	3.3
173.13196	10.2
175.14742	3.1
183.11583	0.9
185.13237	3.5
187.14861	4.9
189.16338	0.8
195.39485	0.7
199.14792	1.0
201.16360	1.3
203.17886	0.6
213.16464	0.9
227.16339	0.8
227.74788	0.7
229.19379	0.9
231.21057	0.8
233.22772	0.8
241.19461	4.5
243.20949	4.8
259.20425	8.0
261.22009	20.4
263.23627	0.8
273.31903	0.8
279.23007	0.8
317.24542	4.8
333.24158	8.3
335.25681	100.0
336.25900	3.6
337.27243	15.2
521.43018	2.9
529.38794	0.9
539.44080	2.9
595.47028	21.5
613.48047	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	952.545
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	100.0
67.81868	1.6
69.03392	4.6
69.07045	22.0
71.04958	14.7
73.02888	3.6
79.05006	3.8
79.05459	66.4
81.03381	14.6
81.07024	62.3
83.01294	1.9
83.04924	7.7
83.08595	19.9
83.72784	1.7
85.02878	19.8
85.06500	2.8
87.04442	28.9
91.03918	7.7
91.05439	32.8
93.07002	53.4
95.04920	9.0
95.08569	43.3
97.02836	8.1
97.06439	2.5
97.10137	21.2
99.04430	17.0
105.06984	24.4
107.04887	4.1
107.08556	35.4
109.02931	2.2
109.06502	2.5
109.10119	51.4
111.04369	3.2
111.08023	2.2
117.06975	11.3
119.08538	17.0
121.06382	2.2
121.10090	20.1
121.34251	2.0
125.09579	21.0
127.03894	2.9
129.06975	2.8
131.08508	12.1
133.10066	12.7
135.11644	14.3
135.28374	2.0
141.06966	2.0
145.04947	2.4
145.10078	15.9
147.11646	7.5
149.13219	6.8
157.66867	1.7
159.11636	4.6
163.05865	2.8
163.11133	9.9
163.14909	2.2
173.09583	2.1
173.11653	10.1
182.84117	1.9
183.19148	1.8
199.13205	8.7
227.12659	7.1
229.14226	18.9
239.45245	2.0
241.14172	2.5
261.22110	4.3
267.15747	3.6
315.17926	11.2
333.19073	2.7
333.24271	2.1
335.25705	41.4
363.25558	3.0
477.35428	17.0
489.35587	28.1
509.46823	2.4
525.35211	2.5
543.36780	14.6
563.16937	2.0
575.38940	8.4
593.39185	3.0
819.79401	2.2
928.37079	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	952.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	100.0
69.03388	4.0
69.07047	14.6
71.04955	12.0
73.46320	1.8
79.05456	41.6
81.03370	11.9
81.07018	56.1
83.04936	4.3
83.08590	17.8
85.02872	14.9
85.06500	2.9
87.04432	47.7
91.03950	3.9
91.05445	28.6
93.07010	44.9
95.04896	4.8
95.08558	33.7
97.02847	10.7
97.06493	3.0
97.10108	8.2
99.04435	4.4
101.57252	1.7
105.06998	19.6
107.04916	4.6
107.08555	28.0
109.06445	3.6
109.09416	2.9
109.10120	68.2
111.04401	2.1
111.08024	2.4
112.33920	2.0
117.06969	9.0
119.08534	16.7
121.10085	17.5
123.11664	3.0
127.03877	2.0
131.08527	14.9
133.10107	8.0
135.11600	9.7
137.09566	2.2
145.10081	10.5
147.11652	8.3
149.13211	6.8
161.13120	3.0
163.11119	4.4
173.11668	12.0
229.14307	27.0
241.14305	3.0
261.22028	7.4
267.15753	4.7
271.20538	2.1
315.17743	4.5
333.24307	1.9
335.25677	40.1
343.83774	2.0
343.88385	2.2
363.25226	4.7
376.77341	2.1
477.35498	3.0
489.35571	52.1
543.36487	9.1
575.38953	11.2
898.81476	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	100.0
69.03390	6.3
69.07043	16.7
71.04967	12.5
73.02882	2.6
79.05465	52.9
81.03395	11.8
81.07028	57.8
83.04955	5.8
83.08584	12.9
85.02879	14.8
85.06499	2.9
87.03960	2.3
87.04440	44.9
91.03916	3.7
91.05441	31.3
93.07004	52.8
95.04897	13.0
95.08569	38.9
97.02837	9.3
97.10131	11.2
99.04444	11.0
105.04543	1.4
105.06996	19.8
105.22117	1.4
107.08559	27.9
109.02917	1.8
109.06458	2.3
109.10126	67.6
111.08068	2.5
113.40086	1.6
117.06995	11.4
119.08546	16.6
121.10078	15.4
123.08020	2.0
123.11643	1.8
125.09596	8.2
127.03857	2.1
131.08521	13.0
133.10081	8.2
135.08020	1.9
135.11621	11.9
137.09538	1.6
143.08488	2.2
145.10117	9.3
147.11662	3.2
147.27422	1.7
149.13255	3.5
159.11627	2.1
163.11093	3.0
163.14714	2.4
173.11684	11.7
173.13217	6.7
181.12096	2.0
199.13255	3.2
227.12674	3.4
229.14238	27.4
249.12581	1.6
261.21967	11.2
267.15817	6.2
283.15283	1.7
315.17880	2.3
335.25687	39.6
363.25159	2.4
477.35553	9.9
489.29404	2.1
489.35754	54.4
490.35901	2.6
543.36682	11.0
575.39185	5.9
645.92810	1.8
685.28595	1.7
781.20581	1.8
835.08167	1.7
951.10492	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	10.7
69.03389	0.8
69.07042	8.6
71.04953	2.5
79.05456	13.7
81.03392	6.1
81.07027	24.1
81.65376	0.7
83.04957	7.0
83.08597	5.0
85.06458	1.0
91.05441	16.7
93.07012	31.2
95.04941	8.0
95.08568	43.6
97.06474	1.4
97.10123	1.0
99.08031	3.7
105.06290	1.1
105.06996	36.0
107.08559	68.1
109.06501	5.1
109.10120	18.4
111.08041	1.4
111.21046	0.8
113.05899	1.3
117.07005	6.6
117.57313	0.7
119.08540	85.5
120.08887	0.8
121.06461	3.3
121.10104	32.8
123.07162	1.2
123.08022	22.9
123.11690	5.7
125.05963	1.2
125.09613	2.9
128.06146	0.9
129.06932	5.1
130.07697	1.2
131.07527	1.1
131.08517	26.6
133.06447	2.4
133.10083	43.2
135.08009	10.6
135.11638	17.2
137.05984	1.5
137.09561	5.2
139.07497	1.0
141.06900	1.5
142.07722	2.8
143.08514	13.5
144.09184	1.0
145.10081	55.8
147.07982	3.6
147.11638	32.8
149.05954	0.9
149.09587	3.3
149.13220	10.1
151.07501	2.6
151.11160	1.3
153.09058	6.8
155.08481	3.9
156.09264	3.6
157.10078	19.9
158.10828	1.2
159.07991	3.6
159.11635	32.0
161.09560	9.4
161.11922	1.3
161.13203	29.6
163.07446	4.3
163.11113	3.8
163.14783	12.5
165.12689	1.0
167.08397	1.2
168.09261	0.7
169.10046	9.3
170.10840	1.5
171.08003	0.8
171.11639	16.7
172.12331	1.2
173.09541	6.8
173.11665	1.0
173.13181	28.6
175.11154	5.9
175.14757	25.4
177.12645	3.1
177.16330	9.4
179.10605	7.2
179.14178	2.5
181.10022	2.2
181.12265	0.8
182.10812	1.2
183.11603	9.2
184.12431	1.2
185.09589	3.5
185.13199	19.5
187.11142	4.3
187.14749	49.3
189.12660	7.3
189.16283	12.2
191.10596	1.2
191.14259	4.8
191.17882	1.2
193.10182	0.9
193.12086	1.4
193.15790	1.3
195.11644	3.5
195.13652	1.2
197.13173	8.6
199.11107	1.4
199.14781	13.7
201.12668	4.9
201.16293	23.3
203.14249	7.5
203.17926	2.9
205.15839	3.6
207.11940	0.8
207.13759	2.9
209.13205	4.1
209.15334	2.9
211.14771	8.3
213.12703	1.2
213.16309	14.2
215.14235	12.4
215.17873	5.6
217.15802	3.4
219.13824	1.4
221.15225	2.7
223.14685	3.8
223.16779	1.2
225.16258	3.9
227.14207	3.2
227.17894	3.8
229.15790	8.1
229.19374	1.2
231.13745	1.1
231.17328	4.3
233.13289	0.8
233.15280	6.4
235.16878	0.9
237.16350	4.0
239.17857	1.2
241.15807	2.8
241.19405	3.6
243.17345	3.0
243.20984	1.1
245.15240	3.2
247.16872	3.9
249.16512	0.9
251.17860	4.1
253.15804	1.1
253.19437	4.2
255.17316	1.2
259.16898	6.1
259.20496	0.7
263.17776	1.0
265.19418	1.6
267.17383	1.0
267.20795	2.5
269.18954	1.4
269.22418	0.7
271.16797	0.9
271.20206	0.8
273.18353	1.4
277.19449	0.8
279.20715	1.2
281.18961	3.0
285.18375	0.8
287.19916	1.3
299.19913	2.7
307.20273	1.0
307.23788	0.9
321.25571	3.7
323.23529	1.1
337.21484	1.0
349.25055	1.4
351.22986	1.4
367.26105	5.6
373.28751	0.9
375.30283	1.6
377.28113	2.5
378.51917	0.7
379.30209	0.8
385.28360	1.1
391.29791	1.6
393.31369	1.5
395.29254	3.1
403.29855	10.0
405.31158	1.2
419.29184	4.3
421.30847	100.0
422.31021	1.5
423.28589	26.8
431.29086	2.6
437.30206	9.3
439.31891	47.4
440.32486	1.2
441.24109	1.3
441.29825	27.0
449.30350	13.2
450.38907	0.8
467.31396	59.2
468.31726	2.6
485.32486	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	951.563
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74088	0.8
67.05496	1.8
69.03415	4.0
69.07059	1.7
70.14131	0.7
70.48483	0.7
71.01320	0.9
73.02900	2.8
79.05451	1.2
81.03391	0.9
81.07026	2.6
85.02876	5.7
85.10161	0.9
91.03941	3.0
91.05480	1.5
92.09393	2.9
93.07015	1.2
95.08588	1.5
97.02871	6.4
98.93546	0.7
100.76556	0.8
105.06992	2.8
105.17272	0.8
107.08608	0.8
109.02889	0.8
119.08487	0.7
123.51974	0.7
127.03838	0.9
149.09618	0.9
174.33928	0.8
201.26964	0.8
243.08444	1.6
315.19327	4.1
347.09406	1.5
371.22049	1.5
405.13516	6.7
415.00259	0.8
497.30807	7.1
533.27148	11.7
659.36310	4.8
695.31927	6.5
754.01001	0.8
789.49408	1.2
941.79919	0.8
951.56238	100.0
952.56372	4.5
959.33087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	57.1
69.07027	26.6
71.08623	33.2
73.02864	5.2
79.05463	43.9
81.03363	5.1
81.07026	58.2
83.08599	8.7
85.02863	20.0
85.10164	18.2
91.03928	7.3
91.05443	52.7
93.07015	44.0
95.08583	36.4
97.02826	7.9
97.10130	4.6
105.06989	60.0
107.08539	26.5
109.10130	27.1
117.06986	19.3
119.08537	57.2
119.88766	4.4
121.10118	21.7
123.08183	3.9
125.53666	4.1
129.06946	8.8
131.08530	28.1
133.10062	39.8
133.21927	5.0
135.11681	14.7
143.08531	5.8
145.10080	21.6
147.11620	37.5
149.13145	9.2
159.11632	24.3
161.13190	23.5
163.06079	4.6
171.11696	8.0
175.14667	5.4
185.13075	14.8
241.19379	34.5
255.07796	4.4
259.20480	73.2
313.27246	97.5
333.24127	44.9
342.76871	5.3
404.96777	5.2
571.46667	26.5
589.48138	100.0
750.27618	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	950.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	0.3
68.99767	1.4
69.53330	0.2
74.06125	0.2
77.03886	0.2
79.05479	0.4
81.03377	0.8
83.04939	0.3
85.02897	0.2
85.88110	0.2
89.03881	3.1
91.05451	0.2
95.04929	0.9
107.04916	2.5
109.02850	0.9
111.00769	0.8
111.04428	1.8
117.03336	4.3
119.04887	0.9
121.02781	0.4
123.04382	18.5
127.03869	40.7
128.04210	0.2
129.05380	0.2
131.04897	0.9
135.04366	24.3
137.02292	1.2
139.03854	23.9
140.04205	0.2
143.04846	0.2
145.02802	10.8
145.03952	0.4
147.04338	3.3
149.02237	1.6
149.05923	0.4
151.03876	3.0
153.06882	0.2
157.06378	0.2
159.04326	1.7
161.05936	1.3
163.03841	100.0
164.04201	1.1
165.05412	2.7
167.03337	3.2
169.06383	0.4
173.05978	1.4
175.03851	1.5
177.05396	1.8
179.03299	1.8
181.04843	0.4
181.06378	0.3
183.04369	0.2
185.05908	0.4
187.03836	3.3
187.07425	0.3
189.05371	0.8
191.03304	5.5
193.04883	1.8
193.06987	0.8
197.05888	1.5
201.05408	2.9
203.03326	3.5
203.06952	0.9
205.04910	1.9
206.85834	0.2
207.06416	0.8
213.05252	0.3
215.03334	0.3
215.06917	1.8
217.04927	0.8
225.05330	0.3
229.04805	3.6
231.06383	1.0
233.04434	2.3
237.05386	0.3
241.04803	0.4
243.06404	2.2
245.04372	3.9
246.04887	0.3
247.05904	6.4
251.05350	0.9
253.04771	0.3
254.82309	0.2
255.06393	0.8
257.04364	5.1
258.04956	0.3
259.05951	3.2
266.25452	0.2
269.04437	1.5
269.07135	0.2
271.05905	6.9
273.07477	0.4
275.05392	5.3
283.05902	3.6
287.05396	10.6
289.03772	0.3
289.06946	8.6
291.08521	11.4
295.05823	0.7
299.05487	1.8
301.06979	3.3
303.08466	0.8
325.06931	0.8
355.10156	3.5
356.10229	0.3
360.09225	0.3
379.07986	0.3
409.09009	8.2
411.10468	1.5
421.09106	0.2
427.10107	10.5
435.10605	0.2
439.09988	0.4
453.11499	0.4
578.15173	0.3
579.14783	12.6
880.90015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	95.0
69.03404	17.7
69.07044	28.8
71.04965	14.6
78.34693	3.1
79.05460	90.7
81.03384	67.0
81.07032	82.6
81.47239	3.4
81.94537	3.0
83.04961	25.5
83.08582	23.8
83.15590	3.2
85.02875	8.2
91.05449	60.8
93.07008	100.0
95.04920	19.6
95.08566	61.8
97.02846	21.7
97.06495	15.4
97.10117	7.9
99.04423	5.0
101.63054	3.2
105.07007	39.6
107.04909	23.8
107.08560	48.1
109.02858	13.5
109.06466	4.6
109.10136	25.9
111.04402	17.4
111.08040	5.3
117.06986	18.6
119.08531	36.9
121.06467	8.2
121.10091	23.1
123.08025	6.9
124.09348	3.6
125.05997	3.7
127.03882	18.7
131.08522	29.5
133.10089	18.1
135.08002	4.3
135.11630	36.1
145.10118	31.9
147.11642	7.2
149.13264	5.3
153.09132	4.1
153.12668	15.8
157.10097	6.6
159.11644	12.7
161.13203	4.7
163.11125	32.0
173.09547	5.3
175.14780	3.8
181.12167	19.6
191.10616	6.6
227.12730	20.2
261.22025	5.1
283.15308	17.5
335.25677	93.9
335.29361	5.7
353.15668	4.3
411.11487	4.0
427.19589	48.6
525.35266	7.2
543.36572	74.4
641.35846	4.0
687.40594	95.4
705.41565	37.8
901.39587	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	948.551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	88.3
67.35708	6.9
69.03401	13.3
69.07030	14.5
71.04956	11.2
74.93510	7.4
79.05470	94.3
81.03403	50.8
81.07024	79.8
83.04955	33.5
83.08591	10.7
85.02866	16.5
88.44549	6.6
91.05449	62.4
93.06999	100.0
95.04920	17.7
95.08565	60.2
97.02868	29.0
97.06469	9.7
97.10139	11.6
105.06993	40.6
107.04913	16.8
107.08569	48.3
109.02851	9.1
109.10111	29.8
111.04388	12.1
117.06977	28.7
119.08539	38.7
121.10117	28.6
127.03907	13.5
131.08546	17.1
133.10141	13.9
135.11652	40.9
137.09584	7.3
143.08575	9.3
145.10109	37.1
149.13148	12.5
153.12715	30.2
163.11133	34.9
173.05939	7.9
191.10661	11.6
235.23900	8.3
252.41402	7.2
258.55978	7.1
335.25760	84.9
337.71140	7.3
353.16147	9.4
427.19385	34.4
525.35516	14.5
543.36487	87.3
687.40991	92.9
705.41418	33.9
711.08276	8.7
758.60480	8.3
792.80719	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	946.6078
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	14.9
69.03408	0.8
69.07051	13.2
71.08604	7.6
79.05466	12.5
81.03391	2.4
81.07030	27.3
83.04960	3.6
83.08578	6.8
85.02867	1.5
85.10157	5.3
90.92775	0.8
91.05444	24.0
92.09260	1.4
93.07005	13.2
95.01286	4.0
95.04941	4.4
95.08580	17.5
97.06490	6.2
97.10089	1.7
105.04545	1.1
105.07002	35.2
107.04936	6.1
107.08589	6.9
109.06483	1.5
109.10120	6.6
109.64573	0.9
115.05457	1.0
117.06989	5.7
119.08545	16.4
121.06487	1.4
121.10091	1.5
123.04385	1.1
123.11697	1.4
129.06950	1.2
131.08536	9.8
133.10095	18.8
135.11653	2.2
143.08511	1.5
145.06342	1.0
145.10062	6.8
147.11658	6.0
149.09592	1.3
159.11632	5.5
161.13202	1.5
163.11209	1.1
169.10075	1.4
179.14243	5.4
183.11609	0.9
219.15457	1.3
219.17296	11.1
257.19113	1.4
275.19952	19.8
276.84818	1.0
304.41171	1.0
313.27335	21.3
332.80435	1.0
349.23709	11.0
351.71939	1.0
391.26303	1.3
427.65485	1.0
462.64371	1.0
587.46509	100.0
588.46649	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	2.6
73.02885	3.0
76.55873	1.2
79.05476	3.0
81.03403	1.3
81.07037	1.7
85.02898	6.9
91.03928	2.2
93.07061	2.1
95.08586	2.0
97.02882	6.0
100.50878	1.3
127.03853	1.7
141.68501	1.5
168.93358	1.1
187.33087	1.2
232.93631	1.3
243.08406	1.3
347.09509	2.1
405.13455	8.3
505.27939	4.9
519.29211	6.1
589.39404	1.5
611.57593	1.5
621.75458	1.5
667.32501	6.4
681.34619	2.1
945.55115	100.0
946.55298	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	945.7154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	21.4
69.07042	18.5
71.04956	0.5
77.97053	0.5
79.05453	15.1
81.07023	55.6
83.08578	10.6
91.05436	15.4
93.07005	45.4
95.04920	1.3
95.08566	96.1
97.10137	5.6
105.06990	50.9
106.09035	0.5
107.08559	69.5
109.06480	3.7
109.10120	54.5
111.08042	41.5
111.08819	1.1
111.11691	2.6
115.05386	0.7
117.06949	4.6
119.08535	75.9
120.08878	0.7
121.10096	62.4
122.10404	0.7
123.08018	0.8
123.11658	22.7
125.09570	2.6
129.06949	1.1
131.08519	18.5
133.10081	70.0
135.07883	0.9
135.11633	32.9
137.09554	1.2
137.13190	4.5
139.07478	0.7
139.11136	9.0
143.08476	6.0
144.09277	1.0
145.10077	35.0
146.10822	1.1
147.11639	46.4
149.13214	39.6
151.11098	3.8
153.09038	5.9
153.12744	0.8
155.08450	1.1
157.10066	5.7
159.11630	31.7
161.13193	39.5
163.07480	1.0
163.14761	46.4
165.12653	3.2
165.16322	0.9
167.10611	1.2
169.10060	0.8
171.11656	5.9
173.13197	24.7
175.14752	39.3
177.09059	1.1
177.12703	0.8
177.16307	30.5
179.10606	2.8
179.14252	2.7
179.17865	0.8
183.11615	2.1
185.13232	4.8
186.13947	0.6
187.14761	30.6
189.16313	84.9
190.16692	2.2
191.10590	0.8
191.17873	15.0
193.12300	0.6
193.15785	0.6
195.17319	4.1
197.13214	1.4
199.14735	6.7
201.16316	66.7
203.17885	73.0
205.15862	4.3
205.19452	3.4
207.13698	0.7
207.17366	21.8
211.14587	2.1
213.16295	15.9
213.18178	0.9
215.17868	42.6
217.15912	1.4
217.19485	8.1
219.17371	11.2
221.15369	1.2
221.18915	12.0
225.16208	1.5
227.17853	6.4
229.15767	1.1
229.19435	7.8
231.17337	1.5
231.20912	1.2
233.15271	1.2
233.18925	3.5
235.16827	7.2
239.17888	3.2
241.19406	8.3
243.20984	10.8
245.15225	0.9
247.16887	12.3
247.19505	0.8
247.20486	0.6
249.18359	5.4
253.19388	2.4
255.20998	6.6
257.22519	3.4
259.16907	2.4
261.18390	13.6
261.21542	0.9
261.22021	0.8
267.20941	3.4
269.22528	5.1
273.18372	1.1
273.22015	1.0
275.19986	2.1
281.22491	3.2
283.24100	2.4
285.21875	0.7
287.19882	3.1
289.21475	3.3
295.24017	1.3
299.19949	1.0
301.21536	1.4
313.21640	0.7
315.23050	2.7
321.25610	0.9
327.22754	0.6
329.24609	1.3
335.27234	0.6
343.26068	1.0
351.30322	3.2
379.33475	2.8
381.34741	0.8
391.33484	18.6
393.35007	1.0
397.30850	10.7
409.34491	51.1
411.36157	8.7
419.32822	1.2
425.33923	19.7
427.35648	6.0
437.33984	100.0
438.34415	3.1
455.35028	70.8
456.35211	2.4
473.35788	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	939.49
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	4.2
69.03393	3.7
69.07063	0.4
73.02888	4.7
79.05479	3.1
81.03389	2.9
81.07027	4.8
85.02866	7.0
91.03938	4.2
91.05479	1.0
92.09338	2.0
93.07012	3.7
95.04919	0.6
95.08591	2.3
97.02856	6.8
101.02369	2.1
105.07015	0.6
107.08595	0.7
109.02901	0.5
109.10149	0.7
119.08596	0.9
121.10123	1.0
121.42830	0.5
127.03900	2.0
135.11644	0.6
145.10085	2.1
152.90128	0.5
163.11240	0.6
217.32417	0.6
243.08405	2.1
266.00424	0.5
266.65530	0.5
281.13495	5.7
289.78760	0.6
335.25827	0.6
337.16400	0.6
347.09528	2.9
365.10889	0.8
405.13577	6.6
499.21225	4.8
519.29071	6.9
661.26599	2.8
681.34021	7.0
724.31366	0.7
732.58643	0.5
756.40875	0.6
777.43097	1.1
939.48859	100.0
940.48944	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	940.597
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	88.8
69.03419	2.6
69.07044	18.8
71.77299	2.5
73.02893	4.2
73.97124	2.7
79.05459	66.3
81.07024	100.0
81.07495	5.6
83.08611	9.9
85.02886	22.4
85.06523	3.4
87.24614	2.6
87.59262	2.6
91.03919	15.0
91.05449	38.6
93.07011	76.7
95.04909	3.3
95.08571	84.0
97.02858	12.6
105.07008	30.3
107.08556	39.0
109.10114	27.0
117.06973	6.8
119.08553	27.6
121.10114	26.2
123.11710	4.1
131.08492	22.2
133.10062	23.6
135.11635	18.3
145.04916	5.7
145.10080	14.8
147.11635	14.7
149.13222	6.7
159.11569	12.5
161.13197	4.7
163.06056	2.7
163.14809	5.1
171.11584	4.1
173.13257	5.8
245.19002	3.3
247.20334	6.2
261.22043	7.2
263.19974	3.3
321.24139	58.1
323.25397	3.9
335.25616	46.9
337.27173	5.0
475.68430	3.4
514.70349	3.7
565.50793	3.2
581.45587	21.0
599.46649	30.0
646.31897	3.1
814.26868	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	939.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.4
69.03411	2.0
71.04958	0.9
73.02907	4.1
79.05477	1.5
81.03404	3.6
81.07045	1.7
85.02911	5.6
90.07466	0.9
91.03951	2.3
91.05479	1.6
93.07005	1.7
95.04871	0.9
95.08602	1.2
97.02895	5.6
101.02325	1.1
105.06979	1.2
108.76744	1.1
109.10133	1.3
117.71970	0.9
144.33728	1.1
163.11191	1.6
209.11760	1.2
241.14368	1.2
243.08429	1.7
281.13553	3.5
335.26007	1.0
347.09534	3.7
405.13376	6.7
499.21469	7.3
519.29340	5.4
610.68256	1.1
642.28375	1.1
661.26935	5.7
681.34637	1.8
939.48969	100.0
940.48877	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.3
69.03411	4.0
69.07072	0.6
71.08622	0.6
73.02872	4.3
79.05470	2.1
81.03403	2.3
81.07032	2.3
83.04968	0.4
83.08566	0.5
85.02888	4.9
86.50003	0.5
91.03931	3.0
91.05489	0.8
93.06483	0.4
93.07031	2.1
95.08590	2.1
97.02857	5.7
101.02359	2.3
121.10132	0.5
127.03894	1.1
158.21080	0.6
185.04173	0.9
203.05145	0.6
243.08461	1.7
313.27155	0.7
315.17499	0.5
335.25851	0.6
347.09509	2.0
365.10355	0.8
405.13480	6.5
426.01779	0.6
497.30896	5.0
519.29108	6.3
659.36011	4.0
681.34406	7.6
727.07379	0.7
775.53418	1.2
815.79688	0.8
937.58270	100.0
938.58423	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	937.6531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	12.6
69.03397	0.8
69.07037	16.5
71.04968	0.9
77.03874	0.8
79.05451	14.8
81.03397	0.7
81.07024	29.3
83.04939	4.1
83.08137	0.6
83.08591	12.5
85.06491	0.7
91.05443	19.0
93.07008	32.5
95.04916	2.7
95.08568	49.5
97.06493	3.2
97.10118	3.1
99.08090	0.9
103.05396	0.9
105.06995	43.5
107.04917	3.2
107.08556	67.6
109.06485	4.6
109.10121	38.0
110.66438	0.6
111.08054	3.9
111.11691	1.0
115.05415	0.8
117.06976	9.3
119.08534	93.7
121.06470	2.8
121.10098	74.7
123.08036	6.2
123.11646	17.5
125.09589	2.5
127.07481	0.8
128.06177	1.0
129.06984	4.8
130.07707	4.2
131.07523	1.2
131.08517	34.4
133.10081	47.8
133.46852	0.7
135.08020	5.3
135.11639	33.2
137.09535	2.8
137.13174	5.3
139.07579	0.7
139.11122	0.9
142.07747	6.9
143.08528	19.7
144.09238	4.7
145.10074	100.0
147.08020	0.8
147.11639	33.3
149.09552	6.4
149.13197	23.4
151.07506	1.5
151.11136	3.6
151.14752	1.0
154.59897	0.7
154.65588	0.6
155.08493	4.2
156.09282	8.0
157.10074	48.5
158.10812	5.9
159.11635	65.2
161.09612	1.3
161.13187	28.2
163.07481	9.6
163.11108	21.6
163.14763	22.4
165.12691	1.1
169.10057	9.7
170.10811	8.2
171.11612	29.8
172.12447	3.1
173.13193	43.8
174.13878	0.9
175.11098	1.0
175.14754	32.5
177.12718	6.9
177.16313	32.1
181.10060	1.6
182.10835	1.5
183.11572	11.9
184.12331	4.7
185.13184	30.4
186.14018	1.4
187.14752	72.1
189.09047	1.0
189.16319	23.0
191.14197	2.6
191.17902	7.3
195.11578	2.7
195.13702	1.3
196.12398	0.9
197.13191	9.8
199.14749	75.9
201.16313	58.2
201.18221	1.6
201.22566	0.7
203.14291	0.9
203.17844	6.3
205.15808	76.0
207.17401	3.0
209.13110	3.3
211.14713	6.8
213.16327	11.7
215.14227	4.5
215.17879	11.0
217.12201	0.9
217.15796	3.4
217.19589	0.9
219.13823	0.8
219.17325	13.0
221.13245	0.9
221.15344	1.1
223.14740	2.9
223.16814	18.9
224.15408	0.9
225.16325	4.2
227.14223	1.0
227.17883	6.6
229.19437	1.3
231.13739	1.1
231.17430	1.5
233.15346	8.5
233.18898	3.3
237.16245	1.3
239.17853	4.1
241.19498	1.2
245.15266	7.8
247.16928	1.6
249.16260	1.0
251.17897	1.4
253.19485	4.7
255.20956	1.4
257.15393	0.9
259.17017	1.2
263.17831	1.0
265.19519	0.9
267.20914	2.8
319.23932	0.9
377.32062	1.6
387.30255	4.9
389.31973	2.9
403.29865	0.8
405.31390	28.5
407.28726	0.8
407.33109	11.7
423.32385	23.1
425.33963	10.6
433.30835	6.3
451.31900	75.9
452.32376	1.0
469.32953	98.5
470.33255	2.8
673.74951	0.8
827.62848	1.1
855.62463	1.1
891.63855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.0
65.59316	0.7
67.05484	70.3
69.03396	3.9
69.07044	15.3
71.04955	3.9
73.02895	3.4
74.26727	0.7
77.03925	0.9
77.57359	0.8
79.05466	50.3
81.03389	100.0
81.07029	67.2
83.04963	6.4
83.08595	22.6
85.02887	9.4
85.06521	1.4
91.03922	5.0
91.05447	42.3
93.07011	58.5
95.04933	34.6
95.05533	1.4
95.08569	54.4
97.02862	8.0
97.06491	5.2
97.10142	11.7
99.08022	0.9
104.63947	0.8
105.06294	1.4
105.07000	37.1
107.04897	8.4
107.08563	35.5
107.09296	0.8
109.02789	0.9
109.06495	6.6
109.10130	21.8
111.04424	3.2
111.08060	6.7
112.98348	0.7
115.05378	1.2
117.06979	10.5
119.08535	32.5
121.06464	6.3
121.09277	1.3
121.10110	29.1
121.37737	0.9
123.04407	1.7
123.08028	5.8
123.11684	7.0
125.09570	5.5
127.03852	1.7
129.06943	13.9
131.08521	28.7
133.06450	5.4
133.10091	19.2
135.07982	1.8
135.11659	16.3
137.09532	1.9
142.07745	4.7
143.08517	3.8
145.04938	3.3
145.06442	1.0
145.10083	14.8
147.04390	1.0
147.08009	4.8
147.11632	19.0
149.09602	7.3
149.13214	8.2
153.09044	0.9
157.10083	14.3
159.11647	10.2
161.09540	1.1
161.13211	6.4
163.05920	3.1
163.11111	5.0
163.14766	4.5
165.12711	1.5
169.10144	1.7
171.11620	3.2
173.09537	1.3
173.13194	7.9
175.11166	9.6
175.14763	3.4
177.16335	1.0
183.11664	0.9
185.13202	1.9
187.14807	4.0
189.05502	1.0
189.11137	1.1
193.12186	24.3
198.86493	0.8
199.14777	1.0
201.16275	1.6
211.13150	1.0
227.12703	1.5
233.15266	0.9
235.13158	3.9
243.20979	4.0
249.14883	1.2
259.20554	1.2
261.22028	15.4
267.15820	65.5
285.21985	1.0
299.23376	1.1
301.14252	0.9
301.25159	4.7
309.16864	1.7
317.24881	2.6
335.25699	80.9
336.26096	1.4
421.25754	3.4
433.29562	0.8
435.27075	1.6
435.32297	4.2
443.28830	0.8
445.93335	0.9
448.30045	0.8
453.33292	7.5
461.29080	1.2
471.34198	3.7
509.35654	1.6
527.37152	70.6
528.37018	1.0
545.38190	81.1
546.38727	0.9
559.39545	0.8
569.38116	11.4
577.40900	0.9
587.38965	1.9
611.39355	1.4
623.38983	3.1
635.38977	4.8
653.39703	3.1
671.40900	4.3
692.95984	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.0
69.03412	3.1
71.75235	1.3
71.92614	1.2
73.02901	2.7
79.05476	1.3
81.07040	3.0
85.02905	6.9
91.03944	3.1
93.07035	1.6
95.08576	1.8
97.02895	5.8
101.02364	2.1
116.56519	1.3
131.91344	1.3
138.43445	1.1
173.00806	1.2
173.13559	1.3
173.86374	1.7
241.03915	1.5
243.08588	1.5
347.09586	1.9
372.79660	1.6
405.13705	7.4
495.29089	2.4
519.29175	7.2
657.34729	2.2
681.34418	6.2
935.56677	100.0
936.56281	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	936.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03883	2.5
65.65014	2.1
67.05154	3.8
67.05482	72.4
69.03394	14.8
69.07053	31.9
70.24641	2.1
71.04960	9.5
73.02857	3.0
79.05461	71.0
81.03379	80.4
81.07020	100.0
83.04954	23.4
83.08588	35.1
85.02875	35.1
85.06512	4.1
91.03889	4.4
91.04903	4.1
91.05443	71.1
92.64111	2.9
93.07010	77.3
95.04935	36.2
95.08569	37.1
97.02827	14.7
97.06465	18.8
97.10124	10.1
99.04458	3.0
99.08043	4.3
103.05425	2.3
105.06991	69.0
107.04922	23.1
107.08569	46.0
109.06464	12.4
109.10110	9.9
111.08056	15.8
117.06973	16.0
119.08538	39.8
119.44858	2.7
121.06467	11.1
121.10085	21.3
123.08011	5.0
123.11635	3.0
127.03901	4.5
129.06938	22.1
131.08521	34.9
133.06474	4.9
133.10088	32.1
135.07994	3.3
135.11644	14.4
137.09518	4.9
142.07742	3.9
143.08478	4.9
145.10049	19.0
147.07993	4.2
147.11610	26.5
149.09569	20.8
149.13229	12.0
155.08492	4.7
157.10071	25.2
159.11658	10.1
161.13257	3.3
163.11131	11.6
165.12627	3.7
166.69098	2.6
175.11154	17.7
185.13222	2.9
193.12177	37.2
195.13835	2.8
211.13211	33.4
255.15810	10.7
257.18857	4.3
267.15839	20.5
269.17355	15.3
275.19922	19.8
285.16891	35.2
302.13141	2.5
304.86105	2.5
311.12695	2.8
333.94330	2.9
349.23734	22.3
367.24777	3.5
435.27072	2.8
439.26535	4.1
447.27435	9.4
461.28696	32.4
465.28461	19.5
479.29865	64.8
514.88708	3.4
519.32507	5.1
541.35132	21.1
551.00739	2.9
559.36066	40.3
577.36835	9.8
623.33862	5.0
625.61243	3.3
696.62256	3.0
780.01172	2.7
907.95184	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	934.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03894	1.9
67.05479	63.4
69.03387	5.2
69.07043	18.9
71.01317	2.5
71.04955	7.2
73.02872	5.1
79.05457	64.5
81.03385	30.8
81.07021	63.4
83.01316	2.6
83.04945	16.9
83.08588	15.4
85.02865	20.4
85.06511	7.1
89.88865	1.3
91.03903	5.9
91.05441	36.9
93.06999	69.7
95.04932	17.3
95.08570	46.7
97.02854	17.8
97.06502	13.2
97.10125	6.2
99.04417	4.6
99.08035	2.3
105.07011	21.9
107.04910	17.5
107.08555	38.0
109.02837	1.7
109.06483	13.5
109.10123	18.7
111.04403	38.0
111.08033	7.5
111.11738	1.1
113.05949	1.8
115.05415	1.7
117.06972	17.6
119.08536	25.6
121.06442	9.4
121.10097	30.2
123.04338	1.3
123.08010	10.4
123.11669	2.3
125.05965	8.5
125.09587	2.7
127.03822	1.9
129.06931	5.7
130.07750	2.1
131.08521	20.8
133.10056	10.6
135.08029	2.5
135.11635	25.7
136.16249	1.1
136.29245	1.1
137.09554	2.6
143.08508	1.9
145.06427	1.6
145.10081	36.6
147.08012	7.2
147.11626	6.8
149.09587	1.2
149.13258	2.0
153.12715	14.7
155.08469	4.9
157.10063	2.0
159.11633	4.6
161.09569	1.5
161.13217	2.8
163.11111	38.3
171.11580	1.4
173.09616	9.7
177.12727	2.1
181.12187	6.3
187.14778	1.3
191.10532	9.0
195.13661	1.9
209.11638	12.9
215.17780	1.3
223.13152	29.2
227.12680	9.1
241.14221	30.9
261.22015	9.4
283.15292	13.9
293.55746	1.2
315.17905	45.6
335.25668	48.3
433.30643	2.6
451.32034	4.6
469.32578	2.4
507.34216	1.8
525.35553	14.4
543.36572	100.0
544.37152	1.9
557.38080	1.5
561.37787	2.7
575.39233	75.7
576.39581	1.4
614.10541	1.3
922.82709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	1.5
67.05482	50.4
69.03400	3.3
69.07037	12.8
71.01324	1.6
71.04965	5.6
73.02882	2.9
79.05459	52.7
81.03386	22.7
81.03829	1.4
81.07023	49.8
83.01294	3.6
83.04945	11.9
83.08594	8.8
85.02882	14.9
85.06506	3.7
91.03918	4.1
91.05442	26.9
93.07007	53.9
95.04931	12.2
95.07952	1.5
95.08565	42.3
97.02854	12.7
97.06476	9.6
97.10132	3.1
99.04430	1.7
99.30463	0.7
100.69157	0.7
105.04474	0.8
105.06996	19.0
107.04924	13.4
107.08556	27.7
109.02890	0.7
109.06486	8.6
109.10118	16.1
111.04396	22.4
111.08023	3.7
111.67959	0.8
113.05959	0.9
117.06998	13.3
119.08543	21.4
121.06450	5.8
121.10096	24.3
123.08039	7.6
123.11669	3.6
125.05950	5.9
125.09581	3.2
127.03853	1.4
129.06976	4.1
130.07709	1.5
131.08513	16.4
133.10069	7.2
135.08003	2.9
135.11636	18.0
137.09590	1.2
143.08485	1.5
145.06432	1.5
145.10075	24.5
147.08028	4.7
147.11642	4.2
149.09564	1.6
149.13229	5.3
153.12688	9.1
155.08513	3.3
157.10014	0.8
159.11636	4.9
161.09564	0.8
161.13162	1.6
163.11116	28.2
163.14767	1.1
167.14290	0.8
173.09576	7.7
173.13130	2.5
177.12602	1.3
181.12115	5.0
187.14751	1.3
189.11256	0.8
191.10590	6.0
209.11639	6.9
223.13216	15.4
227.12715	3.7
233.91663	0.7
241.14278	12.5
243.20996	1.1
257.93787	0.7
261.22046	4.6
265.14255	4.0
283.15286	9.7
297.16809	0.7
299.23483	1.0
315.17923	23.4
317.24597	1.1
318.32913	0.8
324.61835	0.8
335.25674	53.3
363.69275	0.7
433.31219	1.1
451.31754	1.2
469.32587	1.0
525.35553	12.7
543.36591	66.3
544.37097	0.9
561.37421	0.9
575.39240	100.0
576.39185	1.3
682.23047	0.8
719.43378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05154	3.0
67.05484	55.6
69.03394	7.4
69.07034	21.7
71.04954	3.2
73.02900	3.9
79.05460	54.9
81.03380	26.0
81.07024	65.9
83.01311	8.2
83.04948	21.9
83.08585	18.1
85.02866	15.8
85.06471	1.9
89.98465	1.5
91.03916	4.2
91.05442	48.3
93.07002	66.9
95.04922	16.0
95.08564	31.7
97.02857	11.7
97.06501	13.1
97.10121	3.5
99.04431	2.5
105.06993	43.4
107.04903	15.4
107.07890	2.5
107.08565	41.9
109.06462	11.7
109.10125	12.4
111.04394	2.4
111.08051	8.2
115.05401	1.9
117.06965	25.7
119.08529	31.5
121.06435	9.8
121.10117	20.8
123.08031	8.9
123.11665	1.9
125.09620	2.2
129.06932	4.1
131.08522	19.2
133.10075	29.6
135.07985	2.1
135.11646	23.6
137.09508	2.0
141.11877	1.7
143.08533	6.3
145.06444	1.7
145.10077	29.5
147.07945	2.7
147.11662	7.1
149.09546	7.5
149.13196	9.0
153.12717	3.8
155.08432	2.0
157.10089	7.8
159.11626	12.1
161.13181	6.7
163.11102	29.5
171.11617	2.3
173.09584	3.9
173.13208	3.7
175.14755	3.7
181.12228	2.4
187.14709	2.6
192.35918	1.8
193.12146	3.7
195.13715	2.3
208.63255	2.1
209.11635	2.2
211.13165	2.0
227.12758	3.7
236.89409	1.6
243.29338	1.8
253.14090	2.1
255.15819	2.7
257.18909	2.6
259.20425	2.5
269.17404	16.7
273.18369	2.4
275.19913	7.1
283.15256	50.3
305.49020	1.8
314.57114	1.6
341.17328	2.0
349.23495	6.4
365.23062	1.9
421.30774	8.7
437.25143	2.3
459.27002	2.6
463.26678	19.1
467.31439	2.4
477.28345	100.0
539.33435	3.9
557.34424	28.7
575.35699	14.2
621.32428	3.0
768.98059	2.3
917.86377	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	2.1
67.05481	70.5
69.03400	16.2
69.07043	41.2
71.04963	9.8
73.02890	2.5
79.05460	80.5
80.75069	1.5
81.03384	52.3
81.06543	3.6
81.07023	92.8
83.01299	9.4
83.04946	32.5
83.08596	34.5
85.02869	28.4
85.06509	3.1
91.03918	8.5
91.05439	75.9
93.07011	84.5
95.04932	37.0
95.08570	33.7
97.02852	25.0
97.06503	19.4
97.10126	16.2
99.04423	2.1
99.08064	2.4
103.05420	1.6
105.04482	2.2
105.06992	51.0
107.04918	28.4
107.08556	53.9
109.06489	17.0
109.10111	13.2
111.04453	3.9
111.08055	12.0
115.05410	2.8
117.06989	31.4
119.08540	43.5
121.06451	13.0
121.10098	25.0
123.08002	15.5
123.11636	3.4
125.05943	2.0
125.09577	10.9
127.03873	3.6
129.06940	13.2
131.08525	26.6
133.06467	4.0
133.10107	25.0
135.08008	7.2
135.11658	23.0
137.09561	5.4
139.07440	1.6
142.07719	2.3
143.08530	9.2
145.06525	3.3
145.10088	32.2
147.08011	7.8
147.11609	14.4
149.09581	10.9
149.13239	11.6
153.12697	3.0
155.08548	5.8
157.10078	10.1
159.11641	11.1
161.09598	2.9
161.13185	2.4
163.11127	36.3
165.08968	1.6
169.10089	3.9
171.08040	2.0
173.09586	3.1
173.13211	3.6
175.11151	7.4
177.12714	2.7
189.11154	6.2
191.10632	2.7
193.12154	13.9
195.13664	1.8
209.11639	6.9
211.13184	11.7
223.13136	11.2
227.12720	8.9
239.12592	1.8
249.14781	2.7
255.15752	3.4
257.19046	3.2
267.15732	8.5
269.17422	13.4
273.18372	9.2
275.19839	15.8
283.15286	60.7
285.16876	19.0
291.19449	66.9
320.67889	1.8
349.23688	16.6
365.23041	29.5
413.22067	1.9
437.24966	2.0
459.27274	2.9
463.26718	24.6
467.20847	1.7
477.28311	100.0
478.28549	2.2
517.31036	1.7
539.33252	2.6
557.34521	61.9
575.35583	76.1
621.32190	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.9
69.03413	2.4
69.19235	1.3
73.02895	4.6
81.07026	5.1
85.02892	6.9
91.03945	4.6
92.62724	1.1
95.08602	2.9
97.02883	7.7
101.02361	1.4
107.78114	1.1
108.17709	1.1
114.35353	1.3
117.43304	1.2
127.03942	1.1
305.08505	1.7
316.43503	1.3
340.63248	1.1
347.09329	1.7
359.55304	1.2
405.13681	4.8
408.50571	1.3
493.27747	2.7
505.21600	1.5
519.29370	7.0
528.92603	1.4
613.94165	1.2
655.33093	4.5
681.34540	5.2
742.60938	1.3
933.55157	100.0
934.55719	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	934.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	94.9
71.01324	0.6
71.04955	2.0
71.55604	0.4
73.02888	14.4
74.27342	0.4
75.04448	6.6
79.05413	0.7
81.03405	5.7
81.03800	0.7
83.04945	0.9
85.02872	80.4
87.04433	66.0
91.03931	1.2
91.05446	0.6
92.63285	0.5
93.07008	0.5
95.04914	0.6
97.02852	83.8
99.04414	3.2
101.02311	0.6
103.03905	0.8
103.05437	0.8
104.73126	0.6
105.06999	11.5
109.02843	4.2
109.06494	1.0
111.04343	0.7
115.03889	100.0
119.92461	0.5
121.10102	0.6
123.04334	0.7
124.05167	15.0
127.03864	9.2
129.06966	2.1
131.04778	0.5
133.04916	77.5
133.06395	11.2
137.05930	22.7
144.06535	2.2
145.04918	10.6
147.04387	0.7
148.05167	0.6
150.07581	12.7
157.06419	3.1
161.04424	0.7
161.05919	0.9
162.07672	1.4
163.03888	0.6
163.05939	2.3
165.09042	40.8
169.04913	2.4
174.06711	0.9
177.05342	0.6
177.09029	2.1
180.08623	2.4
183.07918	0.6
187.06013	0.6
189.09062	5.1
198.08801	0.5
201.09038	5.0
203.10580	0.7
207.10095	3.2
215.10670	0.7
223.06012	2.3
231.10030	1.2
238.90205	0.6
241.06949	3.4
243.10005	3.8
250.57014	0.6
251.02885	0.6
259.08026	15.6
261.11084	5.1
263.50620	0.5
277.09027	3.4
287.05359	0.9
294.11697	1.0
295.10132	14.8
307.07300	0.7
344.16946	0.6
476.21335	3.7
608.27100	0.6
665.75287	0.6
816.16260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.8
66.86958	1.8
67.05161	3.6
67.05486	79.0
69.03407	8.2
69.07050	25.4
71.04958	3.6
71.68028	2.5
79.05460	95.4
81.03382	14.3
81.07027	89.9
83.04948	20.8
83.08585	14.2
85.02860	8.8
85.06512	3.8
91.04899	4.0
91.05443	89.8
93.07008	85.1
95.04929	31.3
95.08566	44.4
97.02848	9.4
97.06471	12.5
97.10136	2.5
98.97786	2.3
99.08092	2.6
105.07000	61.7
107.04919	11.8
107.08561	37.8
109.06505	8.4
109.10169	14.7
109.10759	2.5
117.06983	20.6
119.08534	43.1
121.10087	20.7
123.08025	3.7
125.09562	2.7
128.06184	2.7
129.06923	19.9
131.08539	19.8
133.06422	2.7
133.10094	27.3
135.11649	12.9
137.09552	2.4
143.08511	12.7
145.10078	18.4
147.08054	2.8
147.11658	33.3
149.09572	12.0
149.13179	4.4
157.10152	3.6
159.11601	19.9
161.09616	3.6
161.13199	12.0
163.11115	9.5
169.10130	2.8
171.11583	22.7
173.13228	3.3
189.12691	5.1
207.13753	15.4
269.17325	10.8
275.19949	14.4
281.17374	42.8
321.29050	2.3
349.23541	13.8
435.26904	2.3
457.29047	2.6
461.29001	26.8
475.30374	100.0
476.30591	3.3
555.36646	44.4
573.37183	9.6
619.34589	3.6
628.83771	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.8
66.86958	1.8
67.05161	3.6
67.05486	79.0
69.03407	8.2
69.07050	25.4
71.04958	3.6
71.68028	2.5
79.05460	95.4
81.03382	14.3
81.07027	89.9
83.04948	20.8
83.08585	14.2
85.02860	8.8
85.06512	3.8
91.04899	4.0
91.05443	89.8
93.07008	85.1
95.04929	31.3
95.08566	44.4
97.02848	9.4
97.06471	12.5
97.10136	2.5
98.97786	2.3
99.08092	2.6
105.07000	61.7
107.04919	11.8
107.08561	37.8
109.06505	8.4
109.10169	14.7
109.10759	2.5
117.06983	20.6
119.08534	43.1
121.10087	20.7
123.08025	3.7
125.09562	2.7
128.06184	2.7
129.06923	19.9
131.08539	19.8
133.06422	2.7
133.10094	27.3
135.11649	12.9
137.09552	2.4
143.08511	12.7
145.10078	18.4
147.08054	2.8
147.11658	33.3
149.09572	12.0
149.13179	4.4
157.10152	3.6
159.11601	19.9
161.09616	3.6
161.13199	12.0
163.11115	9.5
169.10130	2.8
171.11583	22.7
173.13228	3.3
189.12691	5.1
207.13753	15.4
269.17325	10.8
275.19949	14.4
281.17374	42.8
321.29050	2.3
349.23541	13.8
435.26904	2.3
457.29047	2.6
461.29001	26.8
475.30374	100.0
476.30591	3.3
555.36646	44.4
573.37183	9.6
619.34589	3.6
628.83771	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.0
69.03411	5.2
69.07056	0.8
73.02905	6.0
79.05491	1.0
81.03409	1.4
81.07020	1.8
85.02871	6.8
91.03944	3.7
92.63239	0.8
92.72923	0.9
93.07037	3.8
95.08611	2.1
97.02863	8.8
101.02365	1.6
107.08560	1.3
121.10131	1.4
127.03889	1.5
150.29581	0.8
162.77399	0.8
233.41672	0.9
243.08348	1.7
347.09558	1.9
405.13712	5.8
491.26270	2.1
519.29279	5.6
653.31781	2.0
681.34229	5.3
931.53558	100.0
932.54095	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	932.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	26.2
68.58535	1.3
69.03390	8.4
69.07040	23.1
71.04954	1.9
71.07908	1.2
73.02892	1.4
79.05466	31.1
81.03391	11.5
81.07026	34.0
83.01321	5.6
83.04942	13.1
83.08582	14.5
83.50591	1.3
85.02863	10.2
91.03890	1.7
91.05444	24.5
92.09376	3.0
93.07008	32.6
95.04960	12.9
95.08564	12.8
95.09111	1.4
97.02835	11.8
97.06497	7.4
97.10118	12.7
99.04364	1.8
105.06985	19.4
107.04925	12.5
107.08560	17.9
109.06487	6.6
109.10136	10.6
111.04385	2.0
111.08071	2.1
117.06963	14.4
119.08544	19.6
121.06451	3.4
121.10111	9.1
123.04343	1.6
123.07998	6.7
125.09591	11.5
129.06970	2.7
131.08511	7.1
133.06454	2.4
133.10080	7.0
135.08002	3.7
135.11650	7.4
143.08546	3.5
145.10088	14.4
147.08037	8.8
147.11632	3.6
149.13246	1.9
157.10075	1.8
159.11638	2.4
161.09602	2.5
163.11087	16.1
171.11597	2.1
173.09563	3.0
181.12141	2.2
184.52742	1.4
205.12164	1.7
209.11658	1.9
223.13182	17.4
227.12715	7.9
249.14722	3.1
264.18127	1.4
269.17313	1.7
271.79016	1.4
273.18335	9.4
283.15277	38.1
291.19427	82.9
296.02460	1.6
365.23071	32.9
493.27560	3.3
555.35388	2.6
573.34021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	84.3
68.84503	5.1
69.07047	50.3
73.02883	9.1
77.89812	4.7
78.28487	4.9
79.05466	46.8
81.07028	100.0
83.08589	37.1
85.02870	32.0
91.03919	12.4
91.05447	26.7
93.07017	74.5
95.08563	74.0
97.02858	7.2
97.10148	7.0
105.07014	20.7
107.08561	34.2
109.10107	28.7
118.13898	5.0
119.08561	5.6
121.10091	36.9
122.69164	4.5
123.11674	7.9
131.08537	8.5
133.10129	7.1
135.11630	25.9
145.10147	5.3
149.13196	7.4
159.11739	8.7
183.61601	4.6
186.33539	5.3
193.11137	5.4
215.05780	5.4
243.20909	10.8
261.22037	30.8
308.56763	5.0
311.25693	86.2
332.27548	5.6
335.25659	82.9
444.17462	5.8
571.46960	65.4
589.48279	38.1
604.37531	5.0
780.06018	6.3
963.23785	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	930.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	65.7
69.03397	3.4
69.07037	15.2
71.04958	4.0
71.08604	25.2
75.81789	2.7
79.05453	7.1
79.35809	2.7
81.03407	4.1
81.07036	28.4
83.04954	4.6
83.08595	19.2
85.02885	15.7
85.10153	7.3
87.04433	44.5
91.05438	12.8
93.06995	6.9
93.16125	2.6
95.08540	22.3
97.02891	5.7
97.10150	7.3
99.04430	3.7
107.08562	6.4
109.10131	55.0
111.08074	5.6
119.08557	6.3
121.10009	3.4
123.11657	2.9
137.09583	3.8
173.11664	5.7
229.14278	38.1
240.60591	3.4
313.27307	65.6
455.37015	4.9
467.37146	100.0
478.91327	3.7
795.13892	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	930.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	65.7
69.03397	3.4
69.07037	15.2
71.04958	4.0
71.08604	25.2
75.81789	2.7
79.05453	7.1
79.35809	2.7
81.03407	4.1
81.07036	28.4
83.04954	4.6
83.08595	19.2
85.02885	15.7
85.10153	7.3
87.04433	44.5
91.05438	12.8
93.06995	6.9
93.16125	2.6
95.08540	22.3
97.02891	5.7
97.10150	7.3
99.04430	3.7
107.08562	6.4
109.10131	55.0
111.08074	5.6
119.08557	6.3
121.10009	3.4
123.11657	2.9
137.09583	3.8
173.11664	5.7
229.14278	38.1
240.60591	3.4
313.27307	65.6
455.37015	4.9
467.37146	100.0
478.91327	3.7
795.13892	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	929.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.35065	0.2
66.27576	0.2
68.99755	0.9
69.03400	1.2
73.02883	1.3
81.03362	0.5
85.02882	5.3
91.03938	2.4
95.04911	0.3
97.02872	2.8
108.32462	0.2
109.02836	0.4
111.00790	1.1
119.70055	0.2
121.02828	0.9
123.04417	0.2
127.03860	0.9
128.13850	0.2
135.04364	0.3
137.02309	2.9
149.02324	0.4
153.01781	5.2
155.69701	0.2
163.03874	1.3
165.01784	2.9
173.05928	0.3
183.02831	0.9
195.02823	0.3
201.05446	2.1
229.04898	5.6
240.99225	0.2
247.05969	0.9
257.04376	3.5
274.04633	1.1
275.05750	0.2
285.03894	1.7
287.05469	0.9
303.04898	100.0
304.05176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	63.7
69.03411	4.9
69.07039	15.0
69.77106	2.2
69.89384	2.2
71.04966	6.2
71.08614	20.1
73.02898	3.9
74.94007	2.4
79.05463	9.5
81.03385	6.0
81.07019	32.9
83.08591	16.8
85.02886	10.9
85.10167	11.5
87.04436	43.1
91.03917	2.8
91.05448	5.6
92.08688	5.8
93.07022	10.1
95.08567	30.7
96.38677	2.3
97.02859	10.9
97.10144	11.7
99.04426	5.8
102.18593	2.5
102.97676	2.5
107.04896	3.0
109.10120	70.3
119.08511	10.0
125.09624	5.1
135.11606	2.8
173.11681	22.6
229.14244	44.6
267.15845	3.7
313.27255	59.6
315.17957	5.0
455.37222	5.9
467.37164	100.0
467.43591	6.1
642.65924	2.7
662.78235	3.1
773.08069	2.9
912.93127	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	926.5811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	3.6
67.05484	100.0
69.03397	4.1
69.07043	20.6
71.04954	3.9
73.02882	8.3
73.95566	0.7
75.04463	1.1
79.05466	83.9
81.03363	1.5
81.07030	94.1
83.04942	2.0
83.08590	11.3
85.02879	31.1
85.06531	3.7
91.03928	16.9
91.05450	46.4
92.08599	1.9
93.07012	88.1
95.04961	8.2
95.08571	65.6
97.02866	15.0
97.06483	4.5
97.10122	5.3
99.04396	1.0
99.08035	2.0
105.04505	1.6
105.07003	33.5
106.99746	0.9
107.08566	45.0
109.02888	1.0
109.06495	1.9
109.10131	29.0
111.08067	3.3
117.07004	14.9
119.08537	24.5
119.09389	0.9
121.10107	39.5
123.08031	1.2
123.11662	11.1
127.03896	6.3
129.06960	4.9
130.07710	1.4
131.08536	27.8
133.10089	27.9
135.11661	25.5
137.09564	1.2
137.13199	3.5
143.08507	4.9
145.04927	5.7
145.10098	19.9
147.11636	16.1
149.09616	1.1
149.13220	15.4
150.13531	0.9
155.08450	1.0
157.10066	4.2
159.11629	14.1
161.13199	8.6
163.05981	4.8
163.11134	1.0
163.14822	4.2
169.10017	1.0
171.11610	5.8
173.13171	12.2
175.14807	4.0
185.13235	3.1
186.12260	0.9
187.14748	3.4
189.16360	1.4
199.14751	1.5
205.19363	0.9
213.16350	4.2
215.17911	11.4
224.49275	1.0
231.17366	5.0
233.19000	8.3
241.19347	1.6
243.20966	3.5
259.20483	5.0
261.22031	9.9
305.21069	3.4
307.22577	38.1
309.24161	4.7
333.24158	4.0
335.25702	59.8
335.29858	1.9
337.27310	7.6
364.29465	0.9
493.40115	4.1
501.35349	0.8
511.40512	1.0
567.43909	17.1
585.44971	29.7
655.80676	1.1
819.37738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	96.3
69.03387	4.5
69.07043	31.3
73.02881	5.3
79.05020	3.7
79.05462	59.6
80.82092	2.8
81.06553	4.0
81.07025	100.0
82.63129	2.5
83.08595	15.0
85.02866	23.7
91.03918	13.2
91.05437	34.9
91.42018	2.8
93.07001	65.6
95.04922	5.4
95.08567	69.3
97.02856	10.7
97.06453	2.7
97.10099	3.0
99.08060	3.6
100.74781	2.9
103.85287	2.9
105.06989	27.8
107.08569	27.8
109.10115	32.2
117.06896	3.9
119.08554	25.5
121.10093	37.3
123.07928	3.3
123.11673	13.1
127.03904	3.3
131.08536	10.7
133.10081	20.2
135.11682	19.0
137.13219	2.8
143.08556	3.9
145.04935	4.8
145.10065	12.3
147.11649	17.0
149.13182	5.0
159.11667	5.2
161.13184	12.6
163.05977	5.3
163.14751	3.9
173.13211	3.8
204.05203	2.8
261.21988	11.5
309.24106	44.8
335.25684	71.2
337.27206	5.3
569.45099	32.5
571.11090	2.8
587.46527	42.7
952.72253	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	925.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35229	0.6
67.05495	1.5
81.07038	0.7
85.02908	1.1
91.05455	0.7
93.07037	1.3
95.08617	1.0
97.02862	1.2
97.51936	0.6
101.22569	0.6
213.83952	0.8
225.69313	0.7
347.09369	0.8
372.84384	0.7
376.84204	0.7
398.88049	0.7
405.13397	0.9
519.29663	1.5
786.26514	0.8
925.45544	100.0
926.45837	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	925.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	7.9
69.03423	3.3
69.26814	1.1
70.79370	1.1
73.02894	5.1
79.05476	1.4
79.66290	1.2
81.03407	1.8
81.07043	6.1
85.02893	7.2
86.73081	1.3
91.03939	2.7
91.05473	2.5
93.07018	2.9
95.08575	6.3
97.02879	7.6
97.59253	1.2
101.02342	1.4
107.08559	2.1
109.10111	1.9
127.03862	2.0
191.14555	1.5
243.08484	1.5
249.10870	1.7
258.80051	1.3
347.09335	3.0
405.13843	5.4
467.18771	2.1
470.21121	1.3
496.21082	1.4
519.29370	8.9
539.44116	1.7
681.35052	5.5
870.89917	1.9
907.46790	2.8
925.47272	100.0
926.47906	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	925.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.7
69.03408	7.3
71.87214	1.1
73.02892	6.2
79.05459	2.7
81.03359	1.4
81.07039	5.7
83.08577	1.6
84.05908	1.2
85.02898	7.8
89.07117	1.0
91.03949	5.0
91.05455	2.5
92.09338	1.3
93.07028	4.5
95.08600	1.8
97.02854	9.3
99.04461	1.3
101.02345	1.7
105.07018	2.2
107.08565	2.2
109.10159	2.2
119.08549	1.8
121.10123	1.5
127.03879	1.3
147.84471	1.3
163.11279	1.8
209.05083	1.2
243.08372	2.2
347.09372	1.4
405.13785	5.6
463.12369	1.6
463.18402	1.4
467.18784	4.7
519.29388	7.2
629.23895	1.7
646.23132	1.4
681.34485	5.9
907.46143	2.5
925.47284	100.0
926.48120	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	925.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78123	0.6
67.05493	1.2
81.07039	1.0
85.02895	1.5
93.06989	1.4
97.02840	0.9
97.19250	0.6
109.10121	0.7
116.51064	0.6
196.47165	0.7
196.49036	0.7
313.81458	0.7
360.28030	0.7
388.31445	0.7
388.42383	0.6
535.87140	0.7
592.34351	0.7
599.84900	0.7
688.31018	0.8
755.41650	1.0
923.38409	0.7
925.45477	100.0
926.46429	3.1
938.19110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.7
67.05482	65.1
69.03407	4.0
69.07045	17.3
71.04956	4.6
73.02892	3.9
79.05460	56.8
80.05810	1.0
81.03387	100.0
81.07027	75.3
83.04948	8.9
83.08589	22.3
85.02872	12.1
85.06514	1.9
91.03922	7.3
91.05448	40.8
92.08681	1.8
93.07011	64.1
95.04926	33.9
95.05531	1.3
95.08571	55.6
97.02865	6.1
97.06504	4.8
97.10134	9.3
99.08067	1.1
103.59312	0.9
105.07000	35.9
107.04920	10.7
107.08552	30.4
109.02813	1.2
109.06491	6.9
109.10120	22.8
111.04426	1.4
111.08041	10.2
113.26424	0.9
115.05420	1.6
117.06981	10.9
119.04894	1.2
119.08542	32.5
121.06454	4.1
121.10104	28.3
123.04419	1.6
123.08031	5.2
123.11661	8.8
123.49467	0.8
125.09576	5.0
127.03900	1.4
128.06093	0.8
129.06966	14.9
131.08530	26.7
133.06436	6.6
133.10085	16.6
135.08009	1.7
135.11642	14.7
137.09557	2.2
137.13148	1.1
141.06935	1.0
142.07738	4.0
143.08508	2.1
145.04967	1.6
145.06337	1.1
145.10089	13.1
147.04398	1.1
147.08005	4.2
147.11635	19.4
149.09589	5.4
149.13144	6.9
151.11150	1.6
155.08472	1.5
157.10101	14.5
159.11636	8.0
161.13229	6.4
163.05974	2.1
163.11148	3.9
163.14810	3.7
165.12709	2.1
171.11633	3.3
173.09657	1.1
173.13184	6.3
175.11143	10.9
175.14738	1.2
177.12592	1.3
183.11604	1.2
185.13148	1.2
187.14766	4.5
189.11212	1.9
193.12190	16.7
199.14703	1.4
227.12718	4.5
243.21049	3.7
247.77977	1.1
259.13196	1.3
261.22018	13.2
267.15802	64.1
285.16653	1.1
301.14120	1.7
301.25195	4.4
309.16864	4.0
317.24893	3.2
335.25693	67.1
336.26236	1.3
421.25589	1.5
435.26913	1.6
435.32410	4.1
453.33435	7.3
471.34613	5.7
475.29993	1.0
527.37164	57.5
545.38190	70.4
546.38629	1.5
563.39093	6.0
569.38147	7.7
587.38855	2.0
611.38727	1.1
623.39069	1.7
635.38562	1.6
642.62000	0.9
653.40173	1.2
671.41284	3.4
745.88361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54237	0.9
81.07024	1.4
81.20468	1.0
99.86534	1.0
182.06714	1.2
282.20667	1.0
358.75894	1.2
435.32254	1.1
639.37213	1.3
875.78876	1.4
889.88184	1.4
922.48450	1.5
923.43750	100.0
924.43872	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	923.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53645	1.3
82.85406	1.1
84.56106	1.2
91.64845	1.1
280.48669	1.6
380.94894	1.7
527.08118	1.4
923.43683	100.0
924.43988	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.7
69.03404	5.4
69.07031	2.0
71.04945	0.6
73.02899	0.4
79.05441	0.5
79.74079	0.3
81.03375	2.5
81.07005	1.5
83.04949	3.8
83.08588	5.3
85.02876	20.7
85.06508	1.6
87.04430	0.6
91.03921	0.5
91.05428	1.7
93.07031	4.7
95.04942	4.1
95.08555	1.6
97.02854	6.9
97.06492	2.1
97.10143	1.3
99.04408	2.1
101.02286	0.5
105.06991	0.9
107.04895	0.6
107.08560	7.0
109.02845	2.5
109.06481	2.0
109.10149	2.9
111.04417	0.5
111.08032	0.8
115.07536	2.1
117.03317	0.4
119.04891	0.4
119.08523	1.6
121.10097	15.3
123.04381	2.0
123.11671	1.3
125.09585	1.8
126.70329	0.5
127.03872	3.9
131.04857	1.5
131.08499	0.5
133.10051	2.6
135.04366	2.9
135.11562	1.3
139.03819	0.9
145.02815	2.2
145.04941	2.1
145.10149	0.5
147.04353	8.9
147.11627	0.8
149.02283	4.5
149.05916	1.6
149.13242	0.7
151.11110	8.8
153.09032	1.9
159.04370	1.4
161.05913	1.9
163.03841	23.6
163.14771	5.1
165.05435	0.7
167.14250	7.5
173.13176	3.3
175.03824	2.2
175.14700	0.7
177.01759	7.9
177.05370	3.8
185.05974	0.5
187.03786	3.9
189.05380	2.3
191.03310	0.5
191.14236	4.0
193.04860	0.4
201.05434	0.6
203.03331	100.0
204.03696	1.7
205.04907	7.7
209.15302	34.5
210.15625	0.5
213.05428	1.8
215.03348	10.2
216.03926	0.4
217.04803	0.7
219.02818	0.8
221.04370	0.7
227.16388	4.8
229.04903	2.5
231.00424	0.5
231.02802	15.1
231.06458	1.3
233.04356	7.2
247.05948	0.8
257.04385	0.5
259.05893	0.6
261.03821	8.4
279.04871	16.0
291.04858	13.1
291.08148	0.5
303.04858	0.8
321.05984	4.6
339.06982	49.5
340.07193	0.7
357.07980	2.2
360.56305	0.4
371.20523	0.5
501.12015	1.7
518.14697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.336
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05455	0.2
69.03365	0.3
76.55323	0.2
79.01818	1.7
81.03352	0.2
81.06995	0.8
85.02804	0.3
95.04883	0.4
97.02787	0.3
98.97485	0.2
105.06942	0.3
107.08492	1.2
109.06502	0.3
109.10046	0.3
111.04350	0.3
112.39127	0.2
119.20409	0.2
121.02781	0.4
121.06512	0.2
121.10035	1.1
122.07180	0.2
125.31455	0.2
125.74191	0.2
128.00259	0.2
128.07236	0.2
131.51662	0.2
133.09100	0.4
133.10080	9.5
135.04298	1.4
135.07986	1.8
137.02292	7.9
137.08545	0.3
137.09564	5.5
145.02698	0.3
147.04280	0.2
149.13170	1.3
153.01685	0.2
155.48151	0.2
161.02240	1.4
163.03813	1.2
165.01790	0.2
173.13121	1.0
175.03809	0.4
177.01749	0.2
177.05365	0.3
179.03287	0.3
183.02855	0.4
187.03917	0.2
191.03322	0.4
191.14247	4.8
195.02742	0.2
199.41920	0.2
203.03275	0.9
205.04947	1.7
207.02873	0.2
209.15288	5.4
219.02806	0.3
227.06897	0.8
229.04857	2.6
231.02756	1.1
243.06445	1.0
247.05875	1.6
249.03871	2.3
250.05847	0.3
258.05127	0.2
259.05875	1.1
271.05869	2.5
272.06641	3.7
283.05972	0.2
284.06473	0.4
287.05331	1.3
295.05890	0.5
299.05399	32.6
300.06155	23.7
301.06702	1.2
311.05365	7.9
312.05823	0.2
313.06946	20.2
314.04205	0.4
321.07468	1.1
324.06009	1.9
325.06842	4.3
327.04794	1.6
327.08508	5.1
329.06421	46.1
330.06717	0.5
332.05194	0.3
337.06909	3.5
339.04977	0.5
340.05441	0.3
341.06421	5.5
343.08041	0.5
353.06427	22.2
354.07053	0.3
355.07959	4.1
359.07492	10.3
365.06241	3.1
371.07446	0.3
371.20544	0.3
383.07462	53.0
384.07773	0.8
401.08533	14.4
419.09558	100.0
420.09872	2.1
524.23364	0.3
524.74097	0.2
679.49756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
67.05479	56.2
69.03413	3.2
69.07040	14.7
71.04969	3.2
72.61359	1.2
73.02892	3.3
79.05459	64.6
80.05797	1.5
81.03386	45.0
81.07023	52.6
81.07486	2.5
83.04955	13.8
83.08592	17.3
85.02870	28.4
85.06515	2.1
87.04448	2.4
91.03935	8.0
91.05441	76.0
93.07003	60.9
95.04926	26.5
95.08564	32.7
97.02871	6.4
97.06518	5.2
97.10129	3.1
105.06994	80.2
105.07676	3.0
107.04934	7.5
107.08557	32.3
109.06503	6.0
109.10121	13.5
111.04426	2.1
111.08057	9.5
115.05462	2.5
117.06989	19.1
119.08530	67.8
121.06475	1.5
121.10123	27.1
123.08050	2.7
123.11662	2.5
129.06960	17.7
131.08536	33.5
133.06509	3.4
133.10080	50.1
135.11650	13.4
142.07748	6.2
143.08496	12.1
145.10078	26.4
147.08034	3.0
147.11647	41.4
149.09569	9.0
149.13240	5.9
155.08524	2.4
157.10088	22.0
159.11636	19.2
161.13220	17.9
165.12657	2.3
169.10045	2.2
171.11609	13.6
173.13232	8.1
175.11143	9.6
175.14786	8.0
177.12755	1.8
183.11732	1.8
185.13194	9.1
187.14775	2.9
193.12177	19.4
197.13277	3.0
199.14734	7.2
211.13185	20.6
213.16356	1.9
231.20993	2.3
241.19379	14.8
259.20453	58.9
267.15784	11.0
277.21619	3.2
285.16840	34.2
311.23459	1.8
315.23151	6.9
333.24109	41.8
415.10443	1.7
418.99265	1.6
433.30719	3.0
451.31808	6.7
507.34265	3.0
515.37012	2.0
525.35559	35.7
543.36609	100.0
544.37402	2.2
561.37994	3.3
651.38556	2.9
687.41119	2.0
883.99683	1.8
916.58643	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	2.1
66.00978	1.1
67.05479	82.8
69.03390	2.9
69.07041	20.4
69.97571	1.4
71.01305	1.3
71.04948	6.2
73.02880	6.4
79.05018	1.9
79.05463	63.1
81.03371	11.6
81.07023	78.0
81.79897	1.4
83.01285	1.6
83.04953	19.2
83.08589	11.6
85.02869	25.0
85.06470	1.5
91.03911	9.1
91.05439	47.2
92.09299	2.7
92.43540	1.2
93.06427	2.8
93.07008	72.6
95.04926	18.8
95.08566	56.0
97.02842	18.0
97.06480	10.9
97.10110	5.8
99.04422	3.3
103.05418	1.8
105.07002	31.6
107.04936	16.0
107.08562	37.0
109.02803	2.3
109.06487	6.3
109.10130	29.1
111.04391	14.7
111.08031	7.1
113.05932	1.5
117.06986	18.9
119.08533	27.5
121.06446	2.4
121.10097	31.2
123.08009	9.3
123.11674	6.9
124.83872	1.6
125.09551	2.5
127.03835	2.1
129.06976	2.7
130.07709	3.1
131.08528	17.2
133.10075	18.6
135.07983	3.0
135.11652	26.8
137.09538	2.2
143.08507	2.5
145.04932	2.7
145.06454	2.4
145.10080	30.8
147.08035	3.3
147.11629	6.4
149.09546	3.2
149.13170	8.7
151.11206	1.3
153.12703	5.7
155.08524	1.6
157.10036	7.3
159.11638	7.8
161.13205	6.1
163.05980	1.8
163.11143	21.6
163.14830	2.5
166.13922	1.6
171.07953	1.7
171.11615	2.4
173.09546	3.2
173.13222	5.7
175.14644	2.2
181.12151	2.1
187.14723	5.6
191.10574	6.7
209.11652	24.9
221.31288	1.4
226.01465	1.4
227.12698	6.5
243.21056	3.0
255.15706	1.7
261.22025	11.6
283.15262	50.8
283.85101	1.5
301.16342	7.2
335.25659	68.2
346.40359	1.6
355.68161	1.6
363.25449	1.4
433.30759	5.7
451.31897	10.9
469.32645	7.0
487.34235	2.8
525.35486	21.2
543.36627	100.0
544.36853	3.2
561.37769	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06411	1.6
66.86498	1.3
67.05484	70.4
69.03403	6.5
69.07054	17.0
71.04953	3.1
73.02884	8.4
79.05466	50.7
81.03391	7.6
81.06545	2.7
81.07030	76.8
82.75738	1.4
83.04951	5.5
83.08595	23.4
85.02876	20.6
85.06469	1.7
91.03932	9.0
91.05452	46.4
93.07011	63.8
95.04939	13.2
95.08573	51.1
95.09143	2.6
97.02860	16.7
97.06499	2.9
97.10142	3.0
99.00782	30.2
99.04391	1.6
103.05447	2.0
105.07005	38.8
107.04935	8.1
107.08563	41.2
109.02851	13.9
109.06480	6.1
109.10125	23.9
111.08078	5.3
115.03894	5.4
117.06979	11.9
119.08543	28.6
121.06447	10.5
121.10110	21.8
123.04478	2.1
123.07990	1.6
123.11660	8.4
127.03876	6.2
128.06148	2.0
131.08517	16.4
133.10091	54.7
135.11638	15.1
137.13239	2.6
139.07510	3.1
141.05414	1.4
143.08536	7.3
145.04909	2.3
145.10057	12.0
147.11662	8.5
149.13217	10.6
151.11163	12.8
159.11674	7.9
161.09596	26.1
161.13200	5.9
163.14760	6.3
165.09169	1.8
171.08020	6.4
173.13261	6.1
175.14848	1.7
175.38658	1.3
179.10637	13.6
181.90685	1.7
187.14813	2.8
189.09071	11.8
197.11627	2.5
207.10081	6.4
225.11128	12.8
243.12169	1.7
243.21051	3.4
261.22006	20.3
281.13953	2.3
299.14810	93.5
315.23230	2.1
317.24655	2.6
335.25693	100.0
421.31125	1.7
449.30682	1.8
467.31381	6.4
485.32095	1.8
513.35565	2.6
515.36725	6.7
531.36444	3.5
541.35132	20.6
559.36169	88.2
560.36395	1.7
577.36926	2.1
682.37152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	2.0
67.42268	0.3
69.03403	3.5
69.07036	0.4
71.01328	0.7
71.04977	1.2
71.08606	1.5
73.02890	4.2
79.05475	1.9
81.03387	3.9
81.07040	1.9
83.08587	1.2
84.40051	0.3
85.02881	6.1
85.10162	0.6
87.04470	0.4
91.03912	3.5
91.05456	1.6
92.09438	0.5
93.07013	0.6
95.04936	1.5
95.08594	2.0
97.02859	6.2
99.04417	1.1
101.02360	2.1
105.07009	0.8
107.04913	0.3
107.08572	1.3
109.02869	0.7
109.06536	0.4
109.10136	0.4
111.08023	0.4
119.08562	0.4
119.76822	0.3
121.10120	1.2
127.03912	2.0
131.08501	0.6
147.11699	1.4
149.09621	1.2
149.47272	0.3
157.10112	0.5
171.37534	0.3
175.11124	0.4
185.04059	0.8
193.12262	1.9
203.05267	0.6
213.05365	0.3
243.08423	1.8
267.16006	0.5
283.15018	3.1
313.27499	1.9
339.17801	1.3
347.09338	3.4
365.10623	1.8
405.13522	7.8
408.01935	0.3
424.62543	0.3
497.30814	6.1
498.31320	0.3
501.22897	10.5
501.29745	0.4
595.41766	0.5
659.35876	7.9
663.28149	10.4
757.46783	3.1
821.02197	0.3
919.52045	100.0
920.52100	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	918.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06411	1.6
66.86498	1.3
67.05484	70.4
69.03403	6.5
69.07054	17.0
71.04953	3.1
73.02884	8.4
79.05466	50.7
81.03391	7.6
81.06545	2.7
81.07030	76.8
82.75738	1.4
83.04951	5.5
83.08595	23.4
85.02876	20.6
85.06469	1.7
91.03932	9.0
91.05452	46.4
93.07011	63.8
95.04939	13.2
95.08573	51.1
95.09143	2.6
97.02860	16.7
97.06499	2.9
97.10142	3.0
99.00782	30.2
99.04391	1.6
103.05447	2.0
105.07005	38.8
107.04935	8.1
107.08563	41.2
109.02851	13.9
109.06480	6.1
109.10125	23.9
111.08078	5.3
115.03894	5.4
117.06979	11.9
119.08543	28.6
121.06447	10.5
121.10110	21.8
123.04478	2.1
123.07990	1.6
123.11660	8.4
127.03876	6.2
128.06148	2.0
131.08517	16.4
133.10091	54.7
135.11638	15.1
137.13239	2.6
139.07510	3.1
141.05414	1.4
143.08536	7.3
145.04909	2.3
145.10057	12.0
147.11662	8.5
149.13217	10.6
151.11163	12.8
159.11674	7.9
161.09596	26.1
161.13200	5.9
163.14760	6.3
165.09169	1.8
171.08020	6.4
173.13261	6.1
175.14848	1.7
175.38658	1.3
179.10637	13.6
181.90685	1.7
187.14813	2.8
189.09071	11.8
197.11627	2.5
207.10081	6.4
225.11128	12.8
243.12169	1.7
243.21051	3.4
261.22006	20.3
281.13953	2.3
299.14810	93.5
315.23230	2.1
317.24655	2.6
335.25693	100.0
421.31125	1.7
449.30682	1.8
467.31381	6.4
485.32095	1.8
513.35565	2.6
515.36725	6.7
531.36444	3.5
541.35132	20.6
559.36169	88.2
560.36395	1.7
577.36926	2.1
682.37152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.7
67.05125	1.8
67.05480	43.6
67.12161	1.5
69.03416	2.0
69.07044	12.8
71.04980	3.8
73.02897	6.6
79.05458	56.4
81.03387	11.0
81.07024	47.4
83.01302	9.3
83.04935	14.4
83.08591	22.3
85.02870	23.5
85.06518	2.7
91.03909	8.2
91.05444	60.8
91.70522	1.5
92.08803	1.8
93.07008	69.4
95.04936	12.3
95.08561	31.2
97.02863	9.9
97.06493	7.3
97.10149	7.8
99.04426	1.9
105.06997	68.4
107.04886	12.5
107.08559	39.9
109.06468	11.5
109.10139	9.6
110.60862	1.7
111.04446	2.8
111.08045	3.0
115.05399	2.4
117.06995	25.9
119.08540	52.9
121.06472	3.6
121.10093	23.7
122.46519	1.5
123.08051	12.1
125.05984	2.2
125.09521	6.4
127.03875	2.5
128.06194	3.1
129.06937	14.0
130.07758	2.8
131.08508	27.2
133.10089	31.6
135.08054	1.9
135.11641	22.9
135.22929	1.7
143.08495	15.1
145.06496	1.4
145.10072	36.2
147.11649	33.9
149.09564	3.0
149.13248	8.1
155.08488	3.2
157.10062	14.1
159.11647	15.8
161.13182	20.0
163.11128	28.5
169.10104	3.1
171.11627	13.3
173.09557	3.4
173.13217	8.6
175.11147	1.6
175.14722	5.6
181.12241	2.0
183.11568	2.3
185.13202	9.6
189.11197	2.4
191.10672	1.7
199.14735	6.5
209.11684	6.6
227.12730	9.5
241.19330	12.3
259.20468	37.9
271.20343	1.7
283.15298	46.9
297.22049	3.1
315.22949	3.8
331.22766	1.7
333.24182	25.8
383.08505	1.6
449.30402	8.7
452.92377	2.1
467.31400	7.1
485.32343	1.8
523.34088	9.8
541.35040	100.0
559.36041	32.0
649.36652	1.8
703.39935	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05152	1.9
67.05482	32.0
69.07045	22.3
71.04948	2.3
78.94138	1.0
79.05465	31.3
81.03380	23.3
81.07025	44.8
83.04953	11.8
83.08590	11.4
85.02882	13.1
85.06489	1.4
86.38163	1.0
91.04900	2.1
91.05443	52.7
92.09348	2.2
93.07009	27.6
95.01273	6.5
95.04927	17.4
95.08569	20.9
96.03432	1.2
97.02831	1.3
97.06500	17.5
97.10126	2.5
99.04373	1.3
103.05434	2.0
103.40563	1.1
105.06288	2.4
105.06994	65.7
107.04928	16.2
107.08549	15.6
109.06448	4.7
109.10126	6.4
111.04383	1.7
111.08031	5.4
117.06964	14.4
119.08546	43.1
121.06436	2.8
121.10091	10.0
123.04443	1.6
123.08014	6.1
123.11652	1.4
129.06956	7.6
131.08527	20.8
133.06439	1.3
133.10081	36.6
135.07965	2.3
135.11647	6.1
137.09608	1.7
142.61569	1.3
143.08490	2.2
145.06427	2.1
145.10051	13.0
147.07980	2.5
147.11633	20.8
149.09598	8.7
151.76529	1.1
152.70616	1.3
156.94820	1.1
157.10051	9.3
159.11639	6.5
161.13203	5.2
163.11162	4.3
164.40991	1.3
169.09964	1.2
173.13252	1.9
175.11096	7.0
179.14215	9.9
180.99353	1.2
187.11096	1.5
193.12207	13.8
211.13191	9.6
219.17352	8.9
257.19006	1.7
267.15796	10.9
275.19965	38.6
276.20328	1.5
279.15738	2.1
285.16830	16.7
318.11337	1.4
349.23618	23.5
541.26904	2.2
541.35022	55.1
559.36115	100.0
560.36023	2.2
701.01569	1.4
703.39398	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	918.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	41.0
69.03386	3.1
69.07034	24.9
71.04952	2.6
77.67249	1.4
79.05453	40.0
81.03384	40.1
81.07021	50.0
83.04952	18.2
83.08588	17.5
85.02879	21.3
91.05441	56.2
93.07008	38.1
95.01286	8.6
95.04932	20.0
95.08566	30.5
97.02858	6.8
97.06493	24.0
97.10122	2.4
103.07522	1.4
104.88719	1.6
105.06997	89.6
107.04910	21.9
107.07964	1.7
107.08570	19.0
109.06503	3.9
109.10110	7.3
111.08070	3.8
117.06967	14.2
119.08535	49.1
121.06384	2.2
121.10109	12.2
123.04409	2.5
123.08020	2.7
125.09607	2.6
129.06947	10.9
131.08536	24.8
132.32759	1.7
133.06415	2.8
133.10089	36.8
135.08014	2.4
135.11670	9.0
137.09531	2.1
141.06947	3.0
142.07726	2.9
143.08530	6.7
145.06398	2.6
145.10062	16.9
147.07990	2.4
147.11652	21.7
149.09592	9.0
157.10098	9.5
159.11604	7.7
161.13316	1.7
163.11089	6.2
165.09019	2.0
173.13193	3.8
175.11147	6.8
177.12646	2.1
179.14261	8.3
183.11681	1.9
187.11087	2.1
189.25378	2.0
193.12163	23.7
197.13071	1.8
211.13239	15.9
257.19058	2.7
267.15839	19.0
275.19916	37.1
285.16809	35.4
307.07205	1.6
349.23535	22.5
498.65015	1.7
541.35089	67.9
542.35278	2.2
559.27319	3.3
559.36090	100.0
560.36426	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	916.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	50.0
69.03413	9.2
69.07051	23.0
71.04962	4.0
71.08604	30.7
73.02895	4.3
79.05460	39.9
81.03384	12.0
81.07028	49.2
81.67464	2.0
83.04944	12.0
83.08588	26.6
85.02871	23.7
85.10155	17.5
87.04459	2.2
91.03916	13.1
91.05453	24.8
93.07014	33.5
95.04929	8.1
95.08574	41.1
97.02852	22.3
97.06494	9.9
97.10126	14.9
105.07011	11.0
107.04922	12.4
107.08543	22.0
109.06463	2.0
109.10127	32.2
111.04407	26.0
111.08038	2.6
117.06992	8.4
119.08542	13.4
119.48148	2.4
121.06452	3.5
121.10104	31.3
123.08042	4.9
123.11668	7.9
125.09612	3.2
125.13262	2.0
128.82397	2.3
129.06978	2.9
131.08534	11.4
133.10088	4.5
135.11676	14.2
137.09662	2.9
139.11081	4.4
144.74199	2.0
145.04938	2.4
145.10080	15.2
149.09573	11.9
157.10068	2.2
163.11130	9.6
167.10664	3.5
169.32507	2.7
173.09558	8.6
188.81012	1.9
191.10637	12.5
192.57472	2.5
193.12242	2.4
209.11659	87.4
227.12701	14.1
241.14192	9.0
266.62918	1.9
283.15274	52.2
301.16370	65.9
309.95599	3.2
313.27240	100.0
321.72867	2.0
335.25607	3.2
439.11243	2.2
445.20456	2.4
467.36945	11.1
479.37039	8.3
518.05975	2.6
521.38312	56.5
525.96362	2.5
539.39331	43.3
557.40179	10.3
683.43695	3.4
719.39252	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	917.506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.0
69.03416	4.4
69.07057	0.6
71.08613	1.2
73.02892	6.8
79.05477	2.7
81.03402	2.7
81.07015	1.2
83.04974	0.7
83.08622	1.0
85.02882	8.5
85.10191	0.7
86.40828	0.6
91.03938	3.6
91.05434	1.2
91.98694	0.6
93.07043	1.5
95.08594	1.1
97.02864	9.5
100.31438	0.7
101.02378	3.2
109.02838	1.0
111.04402	0.9
115.03924	0.8
127.03938	1.1
155.49486	0.8
163.11176	2.9
173.02121	0.7
209.11703	0.9
223.13332	1.5
240.35951	0.7
243.08464	1.5
281.13678	4.5
313.27759	0.8
339.68900	0.8
347.09518	2.8
365.10406	1.0
405.13589	9.0
426.33444	0.7
497.30798	5.9
499.21298	11.4
659.36371	4.9
661.26691	7.1
755.45221	3.0
917.50500	100.0
918.50702	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	916.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	3.7
67.05481	57.1
69.03403	1.3
69.07048	20.0
69.43916	0.9
69.95540	0.7
71.04966	3.5
73.02870	2.0
73.06518	1.3
77.03857	0.8
79.05460	89.9
81.03376	9.2
81.07021	66.6
83.04951	13.6
83.08596	7.7
85.02866	7.6
85.06528	3.5
87.92782	0.8
91.03901	3.3
91.05443	100.0
92.08673	0.8
93.07004	97.2
95.04926	23.7
95.08566	44.0
97.02840	5.9
97.06484	4.8
97.10141	4.7
99.08038	1.2
102.88478	0.8
103.05395	1.0
105.04440	2.8
105.06995	90.1
107.04922	9.7
107.08553	36.5
109.06503	6.7
109.10114	10.2
111.08050	1.3
113.09670	0.9
115.05436	3.2
117.06972	27.4
119.08532	66.3
121.06436	3.5
121.10100	21.4
123.08028	5.2
123.11621	1.1
125.40502	0.8
128.06169	4.9
129.05444	1.7
129.06956	25.5
130.07715	1.1
131.08517	26.2
133.10081	47.1
135.07996	1.5
135.11665	15.3
137.09540	1.2
141.06937	1.7
142.07787	0.9
143.08521	19.8
145.06485	1.4
145.10081	26.5
146.95348	0.9
147.08006	1.4
147.11639	60.6
149.09563	1.3
149.13217	9.2
155.08438	1.9
157.10088	8.4
159.11624	17.4
161.09532	3.2
161.13188	28.2
163.06006	0.9
163.11108	2.0
163.14764	1.8
165.06877	1.0
169.10085	3.8
171.11613	33.0
171.13019	1.5
173.13162	9.5
175.11023	1.0
175.14771	8.6
177.12633	1.2
179.14279	0.9
181.10078	1.0
183.11588	4.4
185.13199	11.7
187.11142	1.1
187.14783	2.0
189.12718	6.2
197.13165	3.3
199.14729	5.5
207.13683	11.1
209.13167	1.1
213.16377	2.0
231.17610	0.9
231.20988	4.4
241.19414	20.0
257.18900	1.8
259.20465	46.4
279.15808	13.8
281.17365	42.8
283.19022	1.0
297.16656	1.2
315.23041	4.2
333.24142	32.4
447.32538	7.7
465.33441	5.5
483.34839	2.5
501.35080	1.2
521.36066	1.6
529.38409	1.4
539.37079	94.3
540.37177	3.0
557.38226	37.9
647.39301	1.8
701.41742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	68.0
69.03392	4.8
69.07040	17.0
71.01313	0.9
71.04954	1.6
71.08207	1.7
71.08601	32.7
73.02874	5.5
79.05466	24.1
81.03376	5.7
81.07026	42.1
83.04941	7.0
83.08591	20.6
85.02876	28.8
85.06535	4.6
85.10153	16.5
87.04420	5.6
89.05988	2.2
91.03905	7.3
91.05441	11.3
93.07008	12.0
95.04921	4.7
95.08570	32.6
97.02858	12.8
97.06498	2.7
97.10133	25.9
103.07540	1.5
105.06973	5.1
107.04948	1.9
107.08556	13.8
109.10120	60.4
109.87175	1.1
110.77877	1.2
111.04393	5.4
111.08022	2.7
111.11698	1.4
117.06940	1.7
119.08519	6.6
121.06480	1.1
121.10103	6.2
123.08010	1.7
123.11671	4.5
125.09596	17.2
127.03873	2.0
130.11693	1.1
131.08539	1.6
133.10048	2.0
135.07991	1.2
135.11652	2.1
137.09613	1.3
137.13205	1.2
143.10645	2.3
145.04924	2.7
145.10112	4.1
155.10579	1.5
158.63455	1.1
163.05917	1.4
163.11140	5.1
173.11691	11.3
184.07314	1.6
199.13174	8.2
209.11577	6.1
223.13214	1.6
227.12717	6.1
229.14268	48.0
239.23679	5.7
257.24622	1.5
283.15268	6.0
297.16666	2.2
301.16299	25.3
313.27261	100.0
314.27679	1.5
335.25754	8.3
386.11951	1.7
437.35895	7.2
438.77118	1.2
455.37250	16.1
467.37134	35.3
489.35349	1.4
521.37671	5.9
539.39130	18.5
557.38873	6.7
581.28674	1.1
613.14795	1.5
701.44867	1.5
748.43964	1.3
764.78363	1.4
864.96490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11293	0.5
67.05480	14.8
69.03387	0.7
69.07045	11.3
69.34469	0.5
69.43828	0.5
71.04967	2.4
73.62867	0.6
79.05460	16.6
81.03394	6.4
81.07027	20.9
83.01316	1.4
83.04955	5.0
83.08594	6.6
85.02869	2.8
85.06500	0.9
91.05445	24.7
93.07007	16.2
95.01299	4.7
95.04932	5.7
95.08577	11.6
97.02881	0.8
97.06483	7.5
97.10146	1.4
105.07000	38.1
107.04927	11.0
107.08544	8.9
109.06506	3.8
109.10115	3.5
111.04401	0.9
111.08066	1.0
117.06990	8.4
119.08542	19.2
121.06451	1.5
121.10116	4.2
121.41448	0.5
123.07993	4.3
125.05934	0.7
131.08524	9.7
133.06509	0.8
133.10092	17.2
135.08047	1.0
135.11635	5.5
135.37654	0.5
137.09595	0.6
143.08455	0.9
145.06520	0.9
145.10075	11.5
147.07970	0.8
147.11636	5.5
149.09602	1.5
149.13217	0.9
151.11121	0.8
157.10152	1.2
159.08055	1.2
159.11661	5.3
161.13222	2.4
163.11115	8.0
171.11607	0.8
173.09601	0.6
173.13274	0.8
177.12617	1.1
179.14246	4.9
187.11140	1.3
209.11761	1.0
219.17349	1.3
227.12657	0.7
237.43860	0.6
257.19003	1.1
275.19980	17.5
283.15302	13.7
349.23587	7.4
383.11575	0.7
404.34726	0.7
477.03598	0.7
507.90823	0.9
539.33142	1.4
556.18494	0.7
557.34558	100.0
558.34985	1.3
870.73621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11293	0.5
67.05480	14.8
69.03387	0.7
69.07045	11.3
69.34469	0.5
69.43828	0.5
71.04967	2.4
73.62867	0.6
79.05460	16.6
81.03394	6.4
81.07027	20.9
83.01316	1.4
83.04955	5.0
83.08594	6.6
85.02869	2.8
85.06500	0.9
91.05445	24.7
93.07007	16.2
95.01299	4.7
95.04932	5.7
95.08577	11.6
97.02881	0.8
97.06483	7.5
97.10146	1.4
105.07000	38.1
107.04927	11.0
107.08544	8.9
109.06506	3.8
109.10115	3.5
111.04401	0.9
111.08066	1.0
117.06990	8.4
119.08542	19.2
121.06451	1.5
121.10116	4.2
121.41448	0.5
123.07993	4.3
125.05934	0.7
131.08524	9.7
133.06509	0.8
133.10092	17.2
135.08047	1.0
135.11635	5.5
135.37654	0.5
137.09595	0.6
143.08455	0.9
145.06520	0.9
145.10075	11.5
147.07970	0.8
147.11636	5.5
149.09602	1.5
149.13217	0.9
151.11121	0.8
157.10152	1.2
159.08055	1.2
159.11661	5.3
161.13222	2.4
163.11115	8.0
171.11607	0.8
173.09601	0.6
173.13274	0.8
177.12617	1.1
179.14246	4.9
187.11140	1.3
209.11761	1.0
219.17349	1.3
227.12657	0.7
237.43860	0.6
257.19003	1.1
275.19980	17.5
283.15302	13.7
349.23587	7.4
383.11575	0.7
404.34726	0.7
477.03598	0.7
507.90823	0.9
539.33142	1.4
556.18494	0.7
557.34558	100.0
558.34985	1.3
870.73621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.6
67.05154	0.9
67.05481	16.6
69.03396	2.7
69.07050	7.6
71.04950	1.0
71.08602	25.4
73.02884	2.4
78.01750	0.5
79.05464	10.6
81.03387	75.7
81.07026	18.1
83.04942	3.8
83.08591	22.1
85.02879	6.8
85.06500	1.0
85.10152	15.4
89.05989	1.3
91.03912	3.9
91.05444	15.3
93.07011	7.4
95.04337	1.0
95.04928	23.1
95.08568	22.0
97.02864	5.3
97.06480	1.2
97.10133	5.8
99.11677	1.0
103.07561	0.8
105.06995	9.8
107.04918	5.9
107.08542	4.2
109.06462	2.5
109.10125	9.8
111.04382	0.8
111.08041	7.1
111.11699	0.6
117.06956	1.1
119.04910	0.7
119.08540	11.4
121.06457	3.2
121.10095	5.5
123.04391	2.3
123.08036	0.8
123.11649	4.0
125.09633	0.8
125.13251	0.5
127.03864	1.0
129.06966	7.3
131.08524	7.2
133.06447	3.4
133.10097	4.6
135.11563	0.8
137.05986	0.9
137.09576	0.8
137.13200	0.8
142.07686	1.2
145.04921	0.6
145.10030	1.0
147.04333	0.6
147.08020	3.3
147.11653	6.5
149.09566	5.0
157.10063	9.5
163.05948	2.3
163.11057	0.8
165.12692	2.3
173.40564	0.5
175.11089	8.9
193.12172	29.3
203.79935	0.7
205.12144	0.6
211.13239	1.1
235.13168	2.5
239.23567	2.6
249.14760	2.3
257.24664	3.0
259.13144	0.6
266.97571	0.7
267.15802	89.4
268.16153	1.1
273.14597	0.6
283.13242	0.7
301.14166	2.3
309.16815	3.3
313.27252	100.0
314.27615	2.1
319.15292	0.6
460.22128	0.6
505.38705	83.1
506.39188	2.0
523.39734	5.3
547.39697	6.0
565.40698	1.1
589.40527	0.9
601.40735	3.0
613.40503	2.0
631.41620	2.4
649.42670	1.2
746.04462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.2
68.16019	0.8
69.03405	5.4
71.08617	1.2
73.02895	4.8
77.50070	1.2
81.03403	2.3
81.07030	1.2
85.02876	8.0
89.59999	0.9
91.03936	4.3
97.02834	7.0
101.02339	1.3
119.08592	1.3
124.16141	1.0
127.03896	1.3
134.42863	0.9
189.43042	1.1
198.96080	0.9
243.08340	1.3
251.12482	1.1
347.09564	2.0
380.58578	1.1
405.13702	4.5
433.21774	1.1
469.20215	7.8
525.33813	2.1
631.25433	7.1
687.39258	2.4
915.52496	100.0
916.52216	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	913.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41512	0.9
66.82508	0.9
67.05489	1.3
69.03423	1.5
71.04999	1.3
73.02905	7.2
81.03406	1.1
81.07048	1.7
84.62730	1.0
85.02881	6.4
91.03950	5.7
91.05432	1.4
95.08563	1.6
97.02858	7.6
99.04385	1.1
110.39288	1.4
113.16737	1.2
127.03915	2.3
140.32251	1.1
145.10237	1.1
148.43030	1.1
174.86984	1.1
178.32080	1.2
185.04160	1.3
194.62607	1.2
207.81323	1.0
243.08420	2.0
283.15530	1.5
324.47601	1.2
347.09439	2.6
405.13803	7.4
422.93137	1.1
467.18774	10.0
483.68457	1.3
514.91193	1.2
525.34003	2.6
629.23584	11.6
687.39380	4.7
711.13519	1.4
751.45551	1.6
813.05243	1.3
913.50995	100.0
914.51398	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	914.509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.1
67.05479	20.6
69.03412	0.7
69.07043	11.1
69.98978	0.6
71.04961	0.8
79.05458	27.3
81.03379	3.9
81.07026	26.4
83.04958	6.0
83.08578	4.2
85.02877	1.2
85.06518	1.2
91.05447	30.1
91.06020	1.0
92.62977	0.6
93.07008	24.9
95.01294	3.2
95.04922	9.6
95.08566	18.1
97.02858	2.6
97.06492	17.7
97.10155	2.4
102.89794	0.6
103.05433	0.7
105.06997	36.3
105.07684	1.3
107.04929	7.9
107.08563	11.5
109.06470	3.1
109.10117	4.4
111.04423	0.8
111.08010	0.7
114.81647	0.7
115.05433	0.7
117.06963	7.2
119.07743	0.9
119.08539	19.2
121.06500	2.6
121.10108	4.0
123.08024	1.0
125.09596	0.7
129.06929	6.2
129.09135	0.9
131.08528	7.8
133.10088	19.6
135.08023	0.7
135.11668	3.1
137.09572	0.7
139.38470	0.6
143.08537	4.8
145.06363	1.0
145.10114	8.1
147.11630	15.0
149.09550	4.7
151.11154	0.8
155.08528	0.7
157.10065	0.9
159.11615	5.4
161.09485	0.9
161.13225	5.0
163.11113	3.8
165.09027	0.9
169.09958	0.9
171.11636	6.9
173.05925	1.1
173.13269	0.8
177.12750	1.4
179.14211	4.6
183.11653	0.7
187.11092	1.0
189.12578	1.0
207.13805	2.8
275.19992	19.0
279.15842	1.6
281.17407	16.2
293.20871	0.8
349.23636	8.3
537.35474	2.5
555.36633	100.0
556.36847	2.8
573.38141	2.5
914.46222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.5
69.03404	4.6
69.07054	0.9
71.01347	0.5
71.04990	0.3
71.58764	0.3
73.02882	5.8
79.05476	2.5
81.03389	2.8
81.07025	5.6
83.04943	0.7
85.02870	8.0
87.04459	0.6
90.00417	0.3
91.03929	4.5
91.05457	2.4
93.07012	3.3
95.08590	2.6
97.02859	7.1
97.06537	0.4
99.04434	0.6
105.07006	2.6
107.08568	1.6
109.02839	0.8
109.10159	0.7
119.08586	2.0
121.10143	2.3
123.11671	1.8
127.03897	2.6
127.81277	0.4
133.10094	0.7
138.44159	0.4
145.04933	0.5
147.11644	4.1
165.12709	0.8
185.04251	2.2
203.05276	1.8
243.08463	0.9
251.12662	0.4
259.07767	0.5
269.12259	0.8
307.15137	0.6
335.26105	0.5
347.09366	3.3
365.10580	2.4
405.13446	4.6
425.21280	0.6
469.20203	16.0
519.29065	5.0
585.37653	0.5
631.25372	7.6
681.34113	3.5
747.42877	1.8
854.23621	0.4
901.11713	0.5
908.46912	0.7
909.47827	100.0
910.47882	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	910.5711
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	22.4
69.03407	7.1
69.07047	9.6
71.04958	3.5
71.08604	21.4
73.02911	3.9
76.55050	1.1
79.05466	20.7
81.03386	44.0
81.07027	29.1
83.04958	13.3
83.08596	22.6
85.02880	31.2
85.10143	12.2
91.03927	9.6
91.05444	23.9
93.07005	13.9
95.04936	21.4
95.08573	19.8
97.02860	9.5
97.06489	2.0
97.10118	7.3
99.04428	1.1
105.06992	17.7
107.04898	5.6
107.08584	4.7
109.06503	2.0
109.10147	7.4
111.04456	1.5
111.08039	8.8
113.06011	1.0
115.05448	1.2
117.07043	1.1
118.28507	1.1
118.75352	1.1
119.08533	15.4
121.10094	8.9
123.08008	1.2
123.11669	4.0
125.88715	1.0
129.06966	10.0
131.08473	9.2
133.06398	1.6
133.10069	8.7
134.84633	0.9
139.38789	1.1
142.07805	1.5
145.04982	1.4
147.07985	1.5
147.11629	11.9
149.09573	4.1
157.10075	12.1
175.11133	12.8
193.12172	33.7
211.13223	35.8
211.15079	1.7
267.15829	12.4
285.16852	46.0
285.27957	1.1
286.17288	1.1
341.30386	52.6
466.65097	1.1
516.41193	1.2
518.07227	1.1
533.41803	11.6
551.42914	100.0
552.43140	2.0
844.33435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60294	0.7
65.03908	1.1
67.05119	0.7
67.05478	22.6
69.03386	3.7
69.07039	11.9
71.01319	3.4
71.04962	6.9
71.08601	26.0
73.02880	4.1
79.05461	22.7
81.03383	27.6
81.07022	34.9
83.01293	4.9
83.04941	11.8
83.08593	15.7
85.02879	17.2
85.06498	4.3
85.10155	15.0
91.03905	6.3
91.05438	14.4
92.08682	2.5
93.07005	25.7
95.04935	10.7
95.08566	30.5
97.02849	14.4
97.06496	9.8
97.10132	5.7
99.04398	1.7
103.05413	0.9
103.07514	0.9
105.06982	8.8
107.04919	20.3
107.08558	16.9
109.02803	1.2
109.06487	8.5
109.10114	11.9
111.04411	24.1
111.08017	3.3
111.11669	3.0
117.06963	10.1
119.08543	10.4
121.06432	7.8
121.10083	10.9
123.08001	8.2
123.11659	3.4
125.05968	8.0
125.09608	1.8
127.03825	2.9
129.06978	1.2
131.04871	1.1
131.08524	7.6
135.07996	3.5
135.11639	16.6
137.09579	3.0
137.13199	1.1
139.07495	1.2
145.06505	0.9
145.10081	21.6
147.08003	4.5
149.09581	1.7
153.12712	11.6
155.08473	5.5
163.11111	34.7
173.09575	11.0
181.12111	6.4
191.10599	8.8
195.13774	0.9
209.11664	9.6
223.13216	20.8
227.12698	4.5
239.23517	1.3
241.14243	20.9
257.24677	1.8
265.14206	10.6
283.15283	18.1
297.16983	0.8
313.27243	80.4
314.27484	0.9
315.17883	39.1
427.19482	0.8
439.24585	1.0
503.37167	10.7
521.38165	100.0
522.38300	3.3
539.39496	0.8
553.40778	66.1
554.41138	1.4
816.45465	1.0
817.12860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38839	0.6
67.05479	4.1
69.03403	4.5
71.55856	0.7
72.76222	0.6
73.02887	5.4
73.41766	0.6
79.05461	3.9
81.03391	2.7
81.07020	6.7
85.02871	8.8
89.37207	0.7
91.03924	4.2
91.05460	1.4
93.07019	4.2
95.08566	3.7
97.02849	9.5
99.04379	0.7
105.07018	1.1
107.08568	1.2
109.02854	0.8
109.10149	0.7
110.09312	0.7
121.10109	1.5
127.03894	1.3
135.11671	0.6
147.11722	0.8
203.05255	0.8
243.08357	2.6
251.12665	0.7
287.75113	0.8
347.09525	3.2
363.09338	0.9
365.10699	1.4
405.13809	3.8
457.06097	0.7
469.20084	5.8
519.28912	5.7
631.25403	2.6
681.34369	7.2
747.42700	3.0
908.46161	5.5
909.47687	100.0
910.48627	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	909.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	3.3
69.03403	4.4
69.07036	0.4
71.01328	0.4
71.04963	1.0
73.02885	5.8
79.05458	2.6
81.03384	3.9
81.07023	3.4
83.04954	0.5
83.08596	1.0
85.02871	9.5
87.04427	0.5
89.09692	0.2
91.03913	4.2
91.05457	2.6
93.06998	2.7
95.04946	1.6
95.08564	2.3
97.02848	7.5
97.10098	0.2
99.04429	1.0
103.03899	0.4
105.06997	1.7
107.04931	0.3
107.08570	1.1
109.02838	0.5
109.06479	0.4
109.10147	0.9
111.08081	0.2
115.06927	0.2
119.08561	1.3
119.63757	0.2
121.10123	1.0
123.11658	0.2
127.03864	2.1
129.06984	0.5
131.08511	0.4
133.10100	0.9
135.11641	0.4
145.04945	0.3
145.10092	0.4
147.11697	0.9
157.10092	0.5
175.11142	0.5
185.04182	1.4
193.12254	1.2
203.05296	0.9
211.13231	0.5
243.08348	2.3
251.12627	1.0
285.17044	0.2
286.17557	0.3
298.25821	0.3
307.14832	0.5
335.25723	0.9
347.09430	3.1
350.94839	0.2
365.10599	1.3
405.13498	6.7
469.20212	8.7
519.28937	4.6
547.38513	0.3
548.39337	0.3
631.25507	7.1
670.84601	0.3
681.34125	4.3
747.42529	1.6
909.47784	100.0
910.47931	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	909.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	4.5
68.09986	0.3
69.03410	4.7
69.07052	0.8
71.01350	0.6
71.04976	0.8
73.02897	5.4
76.55911	0.4
79.05462	4.0
81.03386	3.1
81.07026	5.1
83.08617	0.4
85.02867	8.2
85.03310	0.5
91.03928	5.5
91.05466	2.3
93.07037	2.4
95.04961	0.5
95.08585	2.6
97.02861	8.1
99.04431	1.7
105.07028	2.4
107.08579	1.9
109.02859	0.6
109.10123	0.6
115.03868	0.4
119.08565	1.7
121.10138	1.9
123.11710	0.4
127.03914	2.2
128.14621	0.4
129.03323	0.4
135.11732	0.6
145.04951	0.5
147.11662	1.7
165.12720	0.5
185.04198	1.8
195.91908	0.3
203.05339	0.7
243.08429	2.4
251.12558	0.9
335.25781	0.8
347.09409	3.2
365.10504	1.5
405.13513	4.6
469.20313	7.9
519.29163	6.8
631.25592	2.2
636.99268	0.4
681.34412	7.4
747.42426	2.1
908.46033	0.9
909.47839	100.0
910.48376	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	909.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.7
69.03406	5.3
69.07052	0.9
71.01336	0.4
71.04971	1.2
73.02891	5.8
79.05460	3.0
79.06271	0.2
81.03389	3.8
81.07022	3.5
83.04969	0.3
83.08608	1.0
85.02879	9.1
85.03380	0.4
87.04453	0.9
91.03919	5.4
91.05445	3.1
93.07005	3.7
95.04955	1.1
95.08571	3.3
97.02857	9.7
97.06532	0.3
99.04436	1.3
103.03928	0.4
105.06980	1.5
107.08547	1.5
109.02857	1.4
109.10126	0.9
115.03915	1.0
117.07004	0.2
119.08582	1.2
121.10095	0.9
127.03848	1.9
129.06905	0.3
131.08562	0.9
132.52823	0.2
133.10124	1.0
135.11693	0.5
145.04980	0.3
145.10136	0.4
147.11656	0.4
149.13145	0.2
157.10121	0.4
162.10335	0.2
173.13228	0.2
185.04233	0.9
193.12206	0.8
203.05283	0.5
243.08395	2.3
251.12592	0.9
259.07925	0.3
275.07541	0.2
307.15192	0.5
335.25751	1.3
347.09314	3.3
363.09216	0.4
365.10632	1.4
405.13571	7.1
405.18631	0.3
469.20239	5.3
519.29089	7.0
519.36621	0.3
621.10492	0.3
631.25531	3.8
681.34418	6.2
691.74591	0.2
747.42664	1.6
840.87427	0.2
878.26587	0.2
909.47858	100.0
910.48260	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76856	0.7
67.05483	16.9
69.03403	4.0
69.07039	6.8
71.04965	3.2
71.08607	26.1
73.02887	5.6
73.62862	0.7
79.05460	15.2
80.15920	0.9
81.03394	9.6
81.07025	24.2
83.01311	9.4
83.04950	13.0
83.08591	17.8
85.02877	16.7
85.06530	1.4
85.10155	14.6
89.06013	1.3
91.03930	10.7
91.05439	10.6
93.07015	23.6
95.04401	0.7
95.04920	6.8
95.08573	22.7
97.02847	12.0
97.06484	5.8
97.10125	6.0
99.04399	1.9
100.53485	0.8
105.06995	6.9
106.65533	0.8
107.04937	9.6
107.08560	9.7
109.06479	5.7
109.10125	8.7
111.04358	1.3
111.08013	1.1
111.11655	1.9
116.17228	0.8
117.06976	5.3
119.08546	8.1
121.06493	2.0
121.10114	7.4
123.08025	8.7
123.11652	3.8
125.05989	1.0
125.09560	0.9
127.03874	3.2
129.06946	1.2
130.07796	1.2
131.08493	1.4
135.11626	11.8
137.09552	0.9
137.13200	1.0
145.04965	3.2
145.10103	17.3
147.08084	1.3
149.09561	1.0
153.12708	1.1
155.08525	1.3
163.05896	1.4
163.11125	26.7
173.09554	3.8
181.12149	1.2
191.10690	2.9
209.11661	3.9
219.53215	0.9
257.28979	1.0
267.27136	1.0
268.13092	0.9
283.15302	100.0
285.27631	1.5
341.30386	86.5
343.94058	0.9
541.42499	1.1
549.41309	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	907.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	6.9
69.03407	5.9
69.07036	1.1
71.01305	0.7
71.04951	0.9
73.02882	6.3
79.05470	5.8
81.03390	3.7
81.07021	7.2
83.04922	0.7
83.08595	1.1
85.02879	8.3
89.27791	0.6
91.03919	5.1
91.05434	3.9
93.07000	9.1
95.04923	1.4
95.08572	5.2
95.47443	0.5
97.02853	7.8
99.04383	0.9
101.02354	2.9
105.07019	1.3
107.08559	3.2
109.02844	1.0
109.10143	2.1
117.06931	0.6
119.08556	2.3
121.10077	1.1
127.03891	1.3
131.08554	2.3
133.10085	1.0
135.11681	2.9
144.73936	0.7
145.10107	1.2
161.13187	0.9
163.09926	0.7
163.11189	3.1
185.04117	1.0
193.12317	0.7
227.12840	0.9
233.06422	0.5
243.08281	2.9
249.10902	8.8
305.13654	0.9
335.25699	2.2
337.26450	0.8
347.09467	3.4
365.10437	1.0
405.13611	7.9
467.18784	5.0
519.28882	8.3
546.38641	1.3
547.38989	4.7
609.26611	0.6
629.23883	2.9
681.34485	7.8
745.41534	1.1
885.46564	0.8
907.46143	100.0
908.46356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	3.8
67.05756	0.2
69.03402	5.8
69.07051	1.2
69.48476	0.3
71.01334	0.6
71.04954	0.9
73.02888	6.7
79.05465	3.7
79.91197	0.2
81.03380	3.2
81.07027	5.3
83.01301	0.3
83.04973	1.1
83.08588	1.1
85.02875	9.9
86.73691	0.2
91.03912	4.6
91.05475	1.5
93.07011	3.7
95.04936	0.9
95.08575	3.2
97.02850	8.8
97.03412	0.3
99.04441	1.3
101.02345	3.2
102.37320	0.2
103.03918	0.4
105.07018	1.3
107.08550	2.0
109.02881	1.5
109.10152	1.6
115.03918	0.5
117.05529	0.3
117.07021	0.3
119.08557	1.6
121.10130	1.8
123.08000	0.3
127.03884	3.0
131.08568	1.2
133.10117	0.5
135.11702	1.3
143.08569	0.3
145.04961	1.2
145.10132	1.3
149.13193	0.4
154.95605	0.3
163.11200	1.1
177.52538	0.3
178.37151	0.3
185.04211	1.4
203.05266	0.5
208.23764	0.3
243.08273	2.6
261.22113	0.3
283.15259	0.3
335.25787	1.0
347.09387	3.8
363.08771	0.4
365.10532	1.6
373.86530	0.3
405.13553	6.7
430.25418	0.3
467.18570	5.5
519.29041	7.1
629.24182	3.0
681.34351	6.7
745.41071	1.6
754.35620	0.3
907.46240	100.0
908.46686	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	907.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85215	0.2
67.05474	3.8
69.03399	5.0
69.07042	0.5
71.01340	0.3
71.04979	0.5
73.02887	5.3
79.05467	3.1
80.05721	0.3
81.03389	2.7
81.07023	4.0
83.01308	0.8
83.04966	1.1
83.08604	1.1
85.02876	8.6
91.03917	3.7
91.05454	1.6
93.07004	3.9
95.04929	0.9
95.08573	2.3
97.02857	8.2
97.06518	0.3
97.10144	0.3
99.04427	1.5
101.02342	2.4
103.03921	0.3
105.07011	1.0
107.04935	0.3
107.08606	1.5
109.02879	1.1
109.10139	0.9
117.06990	0.5
119.08563	1.3
121.10103	1.7
123.08042	0.4
123.11739	0.3
127.03864	1.7
131.08537	0.4
135.11678	1.4
136.00218	0.3
143.19319	0.4
145.04993	0.2
145.10114	1.4
147.11751	0.2
153.12962	0.2
162.61742	0.2
163.11171	1.5
167.91138	0.2
185.04279	1.0
203.05215	0.9
209.11734	0.3
227.12811	0.3
243.08324	2.7
283.15463	0.5
335.25742	0.9
336.26407	0.4
347.09528	2.5
363.08997	0.4
365.10571	0.6
405.13480	6.6
421.13184	0.3
467.18695	8.1
519.29193	3.9
520.28967	0.3
545.38477	0.3
547.39368	0.3
629.23914	7.2
657.17255	0.3
681.34259	3.5
745.41034	1.4
811.29150	0.4
907.46228	100.0
908.46698	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	906.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61509	1.9
67.05489	27.0
67.59550	1.8
69.03395	4.1
69.07040	26.6
71.08598	4.6
73.02900	6.9
76.66335	1.8
79.05463	18.3
81.03377	7.7
81.07020	31.0
83.01309	10.9
83.04943	11.7
83.08585	30.0
85.02858	20.5
85.10152	3.0
91.03922	8.1
91.05449	9.0
93.07011	24.4
95.04936	3.2
95.08566	26.0
97.02863	11.6
97.06511	7.4
97.10147	11.6
105.06973	8.4
107.04944	4.0
107.08559	15.1
109.06486	7.5
109.10128	10.3
114.26905	2.0
117.06960	9.3
119.08498	4.1
121.10099	15.2
123.08022	10.1
127.03860	2.9
131.08455	2.4
135.11629	18.9
136.94644	1.9
145.10080	17.2
163.05977	2.4
163.11110	22.4
164.43312	1.9
181.12285	2.2
197.13394	1.8
209.11800	2.4
230.34248	1.9
283.15286	100.0
339.28809	78.5
547.39813	58.4
548.39795	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14448	1.2
65.03903	1.1
65.45876	0.9
67.05482	100.0
69.03388	1.8
69.07046	14.0
71.04971	18.3
71.21687	0.9
73.02879	6.4
79.05463	40.7
80.45334	0.9
81.03377	5.7
81.07029	45.7
83.04935	4.5
83.08578	8.1
85.02882	11.5
85.06503	5.2
91.03929	7.9
91.05453	26.5
93.07005	48.3
95.04932	4.5
95.08570	35.7
97.02864	8.0
97.06501	4.1
97.10143	2.1
105.07004	12.9
107.08558	24.1
109.10123	68.0
111.08024	4.5
114.85621	1.1
117.06973	4.8
119.08533	20.5
121.10107	19.2
123.11630	1.7
126.38593	1.2
131.08560	8.5
133.10074	8.9
135.08008	1.2
135.11652	16.3
137.09573	8.3
145.04916	2.2
145.10054	8.7
147.11665	5.8
149.13197	4.9
155.10583	1.2
159.11656	4.0
161.13272	2.1
163.11147	2.0
168.72096	1.0
173.11650	10.2
173.13095	3.0
181.12103	1.4
187.14729	1.7
230.74712	1.1
243.15999	1.7
255.15874	4.3
261.22037	2.1
287.18356	9.1
335.25726	22.5
344.58939	1.0
471.34265	2.3
489.35526	75.5
511.85043	1.1
515.37213	19.7
547.39752	83.5
691.43030	2.1
819.48810	1.2
905.49475	1.6
906.50012	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	904.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	50.5
69.03394	3.6
69.07044	19.3
71.04960	3.6
71.05827	0.7
73.02882	4.3
77.03940	0.8
79.05462	32.9
81.03377	1.9
81.07023	100.0
83.04945	6.8
83.08584	10.0
85.02879	12.2
85.06512	5.2
91.03928	8.9
91.05449	30.7
92.05762	0.9
93.07005	41.0
95.04926	5.1
95.08569	38.9
97.02845	9.3
97.06497	8.4
97.10142	3.4
99.04361	0.9
99.08035	4.2
101.06004	1.3
105.06997	36.6
107.08556	25.1
109.06466	6.3
109.10123	13.2
111.08058	1.3
117.06982	4.0
119.08537	34.1
121.10101	31.6
123.08036	4.4
123.10795	1.5
123.11662	29.4
127.03879	1.3
127.07500	3.8
129.06961	1.7
131.08534	5.7
133.10085	9.2
135.11670	10.6
137.09587	1.8
137.13206	2.9
141.09128	1.1
145.04897	0.9
145.10100	5.1
147.11641	65.5
148.12006	1.1
149.13225	4.6
155.76857	0.8
157.10089	3.3
159.11670	3.6
161.13150	3.7
162.54906	0.9
163.05962	1.1
163.14728	1.0
165.12695	22.4
173.13164	3.4
175.11122	3.2
175.14696	1.0
183.13684	1.7
187.14659	1.4
229.14262	4.0
243.21004	5.0
261.21982	14.5
267.15799	43.1
279.23077	1.2
284.15506	1.4
285.16867	69.2
317.24548	1.3
335.25662	61.8
353.26880	3.1
471.34128	1.2
527.37012	7.2
545.38190	65.9
563.38971	8.0
611.19611	1.0
784.64081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	5.1
69.03414	5.4
73.02886	6.0
79.05480	6.7
81.03418	1.3
81.07038	6.1
85.02881	9.7
85.10338	0.7
90.83243	0.7
91.03951	4.2
91.05469	3.7
93.07040	3.9
95.08590	3.7
97.02864	7.3
97.73055	0.8
99.04427	1.0
101.02381	2.9
105.07027	0.9
107.04965	0.9
107.08592	1.6
109.02867	0.8
109.57171	0.7
117.07011	0.8
120.16060	0.7
127.03899	2.9
131.08578	0.9
135.11711	0.9
145.10146	0.8
157.77530	0.9
159.35646	0.8
208.47978	0.8
243.08415	2.9
281.18869	0.7
283.15463	0.8
337.27151	0.8
347.09628	3.0
405.13605	7.6
413.49213	0.9
465.20898	3.5
468.92648	0.8
519.29346	6.3
543.28937	0.7
554.98370	0.8
627.26501	3.5
681.34521	7.6
743.43268	1.0
827.95685	0.8
905.48425	100.0
906.48578	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	904.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.5
67.05479	50.5
69.03401	7.2
69.07033	11.1
71.04964	8.2
73.02868	2.9
79.05462	41.5
79.70092	1.6
81.02950	2.7
81.03387	52.7
81.07018	57.9
83.04947	17.2
83.08592	21.6
85.02876	35.2
85.06511	1.5
91.03933	10.1
91.05448	37.4
92.08662	1.4
93.07006	41.7
95.04923	26.0
95.08570	38.4
97.02857	11.9
97.06506	3.0
97.10120	2.4
105.06988	31.3
107.04908	7.1
107.08559	24.8
109.06458	2.1
109.10109	13.2
111.04386	2.0
111.08059	3.6
113.05972	1.7
116.73788	1.6
117.06956	3.5
119.08525	29.2
121.10097	24.3
123.08008	3.1
123.11698	5.3
127.03888	2.7
129.06960	11.1
131.08514	20.4
133.10045	15.1
135.11650	12.8
137.09535	2.1
141.80667	1.4
143.08455	1.9
145.04883	2.2
145.10091	7.7
147.07985	3.1
147.11618	20.5
149.09560	9.1
149.13239	6.0
150.88417	1.7
157.10048	11.3
163.05984	1.8
173.13226	2.1
175.11130	10.8
193.12155	33.8
211.13220	45.7
240.72163	1.8
243.20958	2.0
261.22018	7.9
267.15802	8.5
285.16824	49.3
285.19724	2.7
335.25677	60.2
336.25888	1.7
527.36926	14.8
545.38141	100.0
546.38123	1.5
798.85913	1.6
851.99133	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32503	1.1
67.05480	43.2
69.03402	5.0
69.07042	7.8
69.20056	1.2
71.04938	2.7
73.02878	2.2
79.05457	38.6
80.38191	1.3
81.03382	34.4
81.07021	42.9
83.04947	11.9
83.08186	1.3
83.08594	17.1
85.02438	1.7
85.02876	25.8
85.06517	2.1
91.03895	5.3
91.05442	31.1
92.08715	2.1
93.06428	2.2
93.07001	41.0
95.04927	17.7
95.08561	29.6
97.02842	7.6
97.06496	1.9
97.10137	1.7
100.29942	1.3
105.06985	20.4
107.04910	5.6
107.08545	19.6
109.06468	4.9
109.10135	9.0
111.08036	7.3
114.21567	1.1
117.06972	6.5
119.08517	18.0
121.10087	16.5
123.11652	2.8
127.03880	2.0
129.06937	7.0
131.08511	14.8
133.10095	12.1
135.11646	6.9
142.07698	1.7
145.04922	1.3
145.10075	5.1
147.07991	1.8
147.11647	13.2
149.09534	4.6
149.13203	1.7
157.10017	10.0
159.11607	2.3
161.13210	2.0
173.13277	1.5
175.11124	7.8
175.14720	1.9
187.14926	1.3
193.12158	20.3
211.13177	20.5
239.68494	1.1
243.20935	1.6
261.22067	5.6
267.15826	7.2
285.16852	29.2
335.25644	50.7
509.35934	1.3
527.36890	16.1
545.38123	100.0
546.39044	2.5
572.64954	1.7
689.41553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.1
67.05480	54.3
68.86480	0.7
69.03398	6.5
69.06676	0.9
69.07040	15.6
71.01295	1.7
71.04944	4.1
71.08604	0.7
73.02887	8.2
79.05457	57.0
81.03380	14.2
81.07023	66.6
83.01295	12.0
83.04951	14.8
83.08582	17.8
85.02872	27.5
85.06500	1.2
91.03911	14.7
91.04898	1.5
91.05444	34.3
93.07005	64.9
95.04931	12.1
95.08564	45.2
97.02847	15.4
97.06487	8.6
97.10120	4.2
99.04411	5.2
99.08031	0.8
103.05438	1.4
105.06995	23.1
107.04928	9.2
107.08556	40.4
109.02834	1.7
109.06463	8.2
109.10120	15.8
111.04411	1.6
111.08004	2.7
117.06979	15.8
119.08537	21.2
121.06457	4.4
121.10094	23.9
123.08023	11.4
123.11621	4.3
125.05915	2.5
125.09576	3.6
126.94754	0.7
127.03867	4.5
129.06927	1.6
130.07707	1.7
131.08510	14.1
133.10083	12.4
134.10828	0.7
135.07977	2.5
135.11641	24.7
137.09526	3.0
137.13216	1.2
143.08502	1.4
145.04897	3.8
145.06468	0.8
145.10077	25.7
147.07990	3.0
147.11647	5.5
149.09543	0.8
149.12164	0.6
149.13179	5.9
153.12682	1.5
155.08490	1.6
157.10059	1.5
159.11627	6.9
161.13213	3.9
163.05972	5.3
163.11122	29.4
163.14778	3.5
169.09998	0.8
171.11580	1.7
173.09567	5.7
173.13185	4.4
175.14769	1.3
181.12149	3.5
187.14742	2.7
189.11162	1.7
191.10562	3.2
195.11531	0.8
201.16248	1.2
209.11574	6.0
217.53381	0.8
227.12643	9.2
243.20883	4.9
259.20358	1.2
261.22055	14.8
267.15939	1.6
283.15283	100.0
299.23535	3.4
317.24661	3.5
323.02936	0.7
333.24115	3.3
335.25671	72.0
433.30533	2.5
451.31842	5.3
469.32922	5.4
487.33868	1.1
520.67450	0.8
525.35498	10.8
543.36591	81.1
544.37024	1.3
561.37701	7.3
739.53412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	0.7
67.05479	57.2
68.05819	0.5
69.03408	2.7
69.06673	0.7
69.07038	17.8
71.04958	4.1
71.08602	0.5
73.02888	4.4
73.06506	0.4
79.05458	35.6
81.03397	3.0
81.07022	100.0
82.07323	0.6
83.04948	6.4
83.08583	11.3
85.02871	13.4
85.06496	4.2
87.04440	0.4
91.03921	7.7
91.05443	30.7
92.63196	0.4
93.07005	44.7
94.90806	0.4
95.04921	4.7
95.08566	48.3
97.02849	7.2
97.06487	7.2
97.10110	2.8
99.04440	0.9
99.08034	4.3
101.05992	0.6
105.04471	0.8
105.06992	36.6
107.04917	0.7
107.08558	27.6
108.08903	0.8
109.06467	6.5
109.10123	14.1
111.08048	2.4
113.05950	0.7
115.03888	0.5
115.07566	0.4
116.06210	0.4
117.06998	4.0
119.08535	30.1
121.10096	31.3
122.29577	0.4
123.08045	4.8
123.11658	26.3
127.03885	2.7
127.07516	2.5
129.06966	1.8
131.08504	8.7
133.10085	7.8
135.08069	0.5
135.11647	11.4
137.09575	0.6
137.13222	3.2
142.07739	0.8
145.04906	1.8
145.10072	6.3
147.11638	56.4
149.09650	0.6
149.13199	5.8
157.10106	2.1
159.11583	4.5
161.13205	3.1
163.06000	2.3
163.11163	1.5
163.14713	2.7
165.12685	21.2
173.13156	3.6
175.11128	2.7
175.14734	1.7
183.11400	0.4
183.13785	0.9
187.14743	2.0
193.12187	0.8
201.16399	0.4
229.14192	2.9
243.20949	3.4
258.16531	0.4
261.22012	13.2
267.15799	43.5
270.28439	0.4
279.23221	2.0
283.15405	2.1
284.15671	0.9
285.16846	45.7
317.21323	0.4
317.24695	2.5
335.25681	95.2
336.26132	1.8
353.26566	1.6
471.34271	0.5
527.37067	3.7
544.37134	1.4
545.38159	65.5
546.38391	0.8
563.39197	4.9
621.87939	0.4
902.02124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79210	0.5
65.03907	2.6
67.05480	68.7
69.03395	4.1
69.07043	17.5
71.01301	0.9
71.04968	4.8
71.08589	0.8
73.02891	8.4
79.05460	61.4
81.03390	13.8
81.07023	75.4
82.91868	0.7
83.01311	14.9
83.04487	0.7
83.04952	15.4
83.08131	1.0
83.08589	19.5
85.02367	1.2
85.02871	31.7
85.06506	2.6
85.91080	0.6
87.04431	0.7
88.64479	0.7
91.03395	1.1
91.03919	15.0
91.05441	35.4
93.07006	79.6
95.04934	14.5
95.08569	53.2
96.04425	0.8
97.02856	15.0
97.06493	8.2
97.10120	5.3
99.04430	4.4
99.08021	1.0
101.02350	0.7
105.04483	1.0
105.06993	28.5
107.04921	9.5
107.08559	42.0
109.02844	1.1
109.06495	9.1
109.10127	19.7
111.04402	3.6
111.08035	3.7
117.06984	16.1
119.02177	0.6
119.08537	24.3
121.06457	4.2
121.10098	28.7
123.08032	10.0
123.11674	6.4
125.09567	3.9
127.03870	4.2
128.06183	0.9
129.06955	2.8
130.07719	1.2
131.08525	18.3
133.10089	14.2
135.08003	3.8
135.11644	25.6
137.09552	1.5
143.08519	1.3
145.04927	4.5
145.06450	0.9
145.10080	26.9
147.08003	2.9
147.11639	8.5
149.13199	9.4
151.11110	0.7
153.12695	3.1
153.88539	0.7
155.08484	2.6
157.10054	1.4
159.11630	7.5
161.13185	4.6
163.05904	5.6
163.11124	28.5
163.14774	3.4
169.10071	0.9
171.11559	0.9
173.09621	3.0
173.13216	7.4
175.14731	0.9
177.16362	0.8
181.12184	3.9
187.14726	3.3
189.11237	1.2
191.10640	2.9
201.16341	1.4
201.55949	0.6
209.11688	7.4
209.13354	0.8
223.16931	0.7
225.55359	0.7
227.12662	8.5
243.20934	5.8
259.20456	1.1
261.22012	16.4
267.15817	1.3
272.53079	0.7
283.15289	82.4
284.15768	0.9
299.23486	4.6
317.24677	4.8
333.23965	1.4
335.25687	84.1
433.30801	1.3
451.31775	3.9
469.33072	1.2
487.34085	1.3
504.44348	0.7
515.37268	0.9
525.35382	8.6
543.36627	100.0
544.36761	3.0
561.37897	7.8
752.56445	1.0
772.06226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.1
67.05477	53.3
68.05804	0.7
69.03409	3.1
69.07039	16.6
71.04955	3.5
73.02890	1.4
74.96349	0.5
79.05455	49.3
79.49645	0.5
81.03379	6.0
81.07019	56.1
83.01318	2.4
83.04948	7.2
83.08582	14.8
85.02866	9.7
85.06511	1.1
89.19425	0.5
91.03915	4.1
91.05441	22.9
92.09316	1.5
93.07002	69.0
95.04919	11.7
95.08562	63.0
97.02843	7.8
97.06490	4.7
97.10130	3.3
99.04386	4.3
103.05407	0.8
105.06991	18.3
107.04910	9.8
107.08553	40.2
109.06480	4.9
109.10117	17.3
109.10861	0.7
111.04417	2.5
111.08033	1.0
117.06970	11.6
119.08527	19.8
121.06445	6.8
121.10096	25.3
123.08036	3.9
123.11659	3.9
125.05947	3.7
125.09593	0.9
127.03860	1.3
127.07450	0.7
129.06976	1.2
130.07724	1.2
131.08488	7.1
133.10075	8.4
135.08032	1.2
135.11644	46.3
139.07501	0.7
145.04901	1.3
145.10069	34.5
147.07977	0.7
147.11644	4.3
149.13231	5.2
153.12685	1.1
155.08493	0.7
159.11633	3.9
161.13202	2.9
163.11115	56.5
163.14691	1.3
169.10133	0.7
173.09586	1.4
173.13170	3.7
175.14754	0.8
181.12163	8.1
187.14819	2.3
191.10588	0.9
193.12146	0.8
205.15678	0.6
209.11687	2.6
227.12691	44.2
243.20972	2.9
261.22021	8.2
267.15964	0.6
283.15289	52.1
284.15500	0.7
299.23645	1.0
307.45181	0.7
317.24628	1.4
333.24344	0.9
335.25659	92.5
336.25937	1.2
469.32788	0.9
499.34198	0.8
525.35449	0.9
543.36584	100.0
544.36707	2.3
561.37695	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	1.3
67.05484	43.9
69.03408	1.3
69.06678	0.5
69.07043	9.4
71.04956	1.6
71.08594	0.3
73.02892	1.8
73.06530	0.5
77.03912	0.4
79.05464	49.3
81.03403	4.2
81.07027	39.1
82.07368	0.3
83.04959	6.3
83.08595	5.2
85.02882	3.8
85.06508	2.2
91.03894	2.3
91.05447	33.4
92.08521	0.3
93.07011	49.0
95.04937	10.4
95.08573	28.1
97.02852	2.6
97.06519	3.0
97.10114	1.9
99.08048	0.6
100.04949	0.4
103.05443	0.5
105.04493	1.5
105.06999	24.9
107.04940	2.7
107.08559	18.6
109.06471	3.5
109.10131	9.8
111.08057	1.5
115.05357	0.4
117.06983	5.8
119.08540	17.3
119.09409	0.6
121.06458	0.5
121.10094	11.4
123.08022	2.9
123.11667	2.0
127.07433	0.3
128.06184	0.8
129.06963	8.5
131.08536	6.3
133.06470	0.4
133.10086	9.0
133.11041	0.5
135.08098	0.4
135.11644	6.3
137.09578	0.6
143.08507	5.2
145.04965	0.5
145.10077	8.5
147.08017	1.3
147.11642	17.5
149.13213	2.3
159.11676	2.7
161.09613	1.2
161.13211	6.8
161.14403	0.5
163.11128	0.4
163.14803	0.7
165.07043	0.4
169.10094	0.6
171.11629	9.4
173.13217	2.0
175.14798	0.5
187.14784	0.6
189.12656	3.2
207.13779	5.2
222.76866	0.4
243.21013	1.2
261.22079	3.6
281.17383	21.2
313.27423	0.6
317.24670	0.5
335.25696	31.6
449.33704	0.4
523.38849	0.5
541.38721	100.0
542.38794	3.2
559.39575	2.1
571.71234	0.3
576.15039	0.3
900.48688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87401	0.9
67.05153	1.7
67.05483	23.2
69.03408	2.3
69.07051	9.3
71.04961	2.2
71.08605	31.1
73.02893	1.7
78.39476	1.0
79.05465	14.3
81.03389	84.9
81.07030	26.5
83.04959	4.2
83.08600	25.9
85.02881	10.4
85.06509	1.2
85.10156	15.9
85.51186	0.9
86.66617	1.0
89.06005	3.6
91.03917	5.6
91.05456	15.5
92.08671	2.4
93.07016	9.8
95.04929	17.6
95.08568	27.5
97.02842	4.8
97.06458	1.2
97.10138	5.5
103.07568	1.3
105.06996	11.9
107.04948	5.4
107.08566	4.4
109.06495	2.2
109.10133	12.2
111.08055	5.0
117.06994	1.8
119.04862	1.4
119.08555	12.4
121.06415	1.9
121.10126	8.8
123.08057	1.5
123.11658	5.0
129.06958	8.9
131.08534	9.1
133.06470	2.5
133.10074	2.5
142.07753	2.1
147.08043	2.0
147.11684	7.4
149.09590	4.6
157.10063	11.5
163.03831	1.8
163.05957	2.2
163.11131	1.2
175.11160	6.6
193.12193	26.5
239.23529	3.7
248.40756	1.0
249.14711	2.1
267.15820	87.2
273.47589	1.0
284.15692	1.3
292.71152	1.0
309.16852	1.6
313.27267	100.0
314.27597	1.8
356.58441	1.0
487.30435	1.4
505.38712	78.8
523.39838	7.5
547.39807	5.6
595.95758	1.2
596.91699	1.2
601.41168	1.7
649.42603	1.1
812.83173	1.2
883.99854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	41.4
69.03420	1.5
69.07050	11.3
71.17983	1.4
77.03889	1.6
78.93346	1.7
79.05458	44.2
80.50971	1.6
81.03377	16.5
81.07029	43.1
83.04964	8.2
83.08565	5.4
85.06494	2.0
91.05444	28.3
93.07012	43.5
95.04932	11.5
95.08574	28.0
97.06491	2.7
97.10077	2.0
103.05453	1.7
105.06993	23.3
107.04933	2.4
107.08574	18.2
109.06488	3.4
109.10122	9.6
115.05417	3.8
117.07019	7.3
119.04913	1.9
119.08518	19.5
121.10107	16.9
123.04384	7.1
123.08032	2.0
123.11668	2.5
129.07027	5.8
131.08521	11.8
133.10103	10.1
135.04422	2.2
135.11681	7.5
137.02271	1.5
137.51224	1.6
141.06998	6.4
143.08603	2.5
145.06517	3.1
145.10066	7.0
147.11642	9.7
149.09596	3.2
149.13213	2.2
153.06937	3.5
157.06473	2.7
157.10030	2.9
158.10747	1.7
159.04350	6.8
161.02307	7.6
161.05943	12.2
161.13176	2.6
163.03833	21.8
165.06879	1.9
171.04366	2.9
171.11644	2.7
173.02292	10.0
173.05919	67.3
173.13226	2.3
175.03902	2.3
175.07481	2.1
181.06424	8.4
185.05959	9.3
187.03836	19.9
187.07466	13.2
189.05504	12.0
193.12143	2.5
195.08018	2.4
197.05948	8.1
199.03854	8.6
199.07460	18.2
201.05417	33.2
211.07449	11.5
213.05383	35.4
213.09033	6.6
215.03300	3.1
215.06978	6.9
217.04890	100.0
218.05188	2.3
223.07349	2.2
225.05508	8.8
225.08961	3.5
227.03476	2.0
227.06952	11.7
229.04909	6.7
239.06941	7.1
241.12242	2.4
261.22015	4.0
264.16885	1.8
265.12234	2.8
267.13739	6.9
283.13135	6.9
285.14645	1.8
293.11426	2.3
309.14789	3.8
311.12830	22.8
311.16397	2.6
313.14365	7.4
319.13309	2.1
327.15869	7.1
329.13724	44.6
335.25571	16.5
337.14236	10.8
339.15796	2.0
347.14935	2.7
355.15329	22.6
357.16895	3.3
359.83765	1.7
373.16193	4.1
385.16324	47.5
403.17331	3.3
411.17688	8.3
429.18973	41.9
431.20303	2.1
615.36365	2.2
633.37720	3.2
645.37158	2.5
661.39069	2.1
663.38855	11.8
689.40393	22.7
701.08612	1.8
707.41144	22.9
881.45093	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	900.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.3
65.71177	0.5
67.05482	50.5
69.03395	2.3
69.07045	11.4
71.04940	1.3
73.02892	2.6
73.06537	0.8
79.05462	62.2
80.00771	0.5
80.05797	0.6
81.03383	6.6
81.07027	51.7
83.04957	10.1
83.08591	7.6
85.02879	6.6
85.06514	1.2
90.33615	0.5
91.03914	3.7
91.05447	43.7
93.07012	68.2
95.04932	17.8
95.08575	35.0
95.09040	0.6
97.02856	4.7
97.06502	3.4
97.10119	3.9
99.04376	0.6
99.08046	1.1
100.95015	0.6
103.05419	0.6
105.04499	1.1
105.07001	32.7
107.04926	5.4
107.08559	23.3
109.06479	4.7
109.10133	10.0
111.08048	0.8
114.36042	0.6
117.06989	8.4
119.08549	20.4
121.06463	1.1
121.10097	12.6
123.08038	3.9
123.11662	2.3
125.09700	0.6
127.03884	0.8
128.06200	1.2
129.06950	12.7
131.08548	6.5
133.10080	11.6
135.11673	6.8
143.08527	6.6
144.73444	0.6
145.10100	10.0
147.08023	0.9
147.11649	26.9
149.13216	3.1
159.11661	3.8
161.09563	1.3
161.13203	7.6
163.11082	0.9
164.38553	0.6
164.54114	0.6
171.11639	16.0
173.13239	2.2
187.14754	0.7
189.12688	4.7
207.13727	11.9
211.30859	0.5
227.56924	0.6
240.53085	0.6
243.21219	0.7
261.22058	5.2
279.15912	2.7
281.17374	46.6
313.27393	0.9
335.25696	38.0
351.16867	0.8
449.33865	0.8
523.37598	0.9
541.38727	100.0
542.38977	3.1
559.39886	4.5
710.52594	0.7
823.55994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61771	1.4
67.05491	35.1
69.07034	8.4
79.05457	35.1
81.03389	11.3
81.07027	34.9
83.04955	2.5
83.08595	3.2
91.05437	22.4
93.07008	36.2
95.04924	8.4
95.08581	24.2
97.10134	1.9
105.07005	17.8
107.08542	10.9
109.10117	9.4
115.05414	1.9
117.06959	8.8
119.08540	13.2
121.10112	9.9
129.06958	4.0
131.08513	8.8
133.10106	4.2
135.11620	4.0
143.04947	1.7
143.08577	2.8
145.06516	2.8
145.10078	4.1
149.13263	2.2
157.06445	3.5
161.05962	15.0
163.03854	7.6
167.08459	3.2
172.48219	1.7
173.02423	2.7
173.05930	79.4
181.06384	2.4
185.05887	6.3
187.03844	3.7
187.07495	15.4
189.05399	7.4
195.07983	3.8
199.03825	2.7
199.07516	18.0
201.05414	37.4
211.07562	6.2
213.05396	17.1
213.08954	12.3
215.07019	3.4
217.04901	100.0
223.07484	2.1
225.05360	6.9
225.09048	3.6
227.06953	8.2
229.04906	10.1
241.04958	1.9
255.13643	1.8
261.21994	6.8
265.11969	2.0
267.13467	5.7
283.13049	3.5
309.14828	2.5
311.12668	25.4
313.14255	11.2
329.13770	42.4
333.23941	2.6
335.25671	16.8
337.14124	6.6
347.14944	2.3
355.15164	14.3
373.16006	3.0
385.16342	46.4
386.63614	1.8
403.17310	7.5
411.18042	2.9
429.18979	28.4
458.53964	1.7
472.99881	1.6
544.24213	2.0
663.38660	17.4
689.40405	13.3
707.41565	12.4
887.32996	2.1
899.48181	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12930	1.7
67.05221	1.5
67.05486	28.3
69.03395	2.0
69.07047	14.1
71.04980	2.9
71.08609	28.7
73.02895	7.7
79.05466	25.1
80.39582	1.6
81.03390	3.6
81.07025	20.4
82.33939	1.4
83.04959	12.9
83.08602	12.1
85.02869	18.6
85.06532	1.6
85.10152	13.4
91.03910	8.7
91.05426	17.5
93.07001	22.7
95.04936	8.5
95.08564	24.6
97.02856	15.6
97.06491	8.4
97.10159	3.5
99.04416	2.5
105.07000	4.0
107.04924	10.5
107.08579	12.4
109.02860	1.9
109.06520	2.4
109.10134	11.4
111.04416	14.1
111.08022	2.5
117.06967	9.8
119.08537	6.8
121.10094	7.3
123.04403	1.9
126.95515	1.6
127.03933	2.3
129.06963	2.2
131.08521	6.6
133.10115	2.7
133.69965	1.7
135.11650	16.7
145.04941	1.9
145.10085	22.4
147.08022	1.9
153.37108	1.7
163.05867	2.3
163.11099	18.9
173.09564	7.3
180.22951	1.7
180.86371	1.9
181.12126	2.2
191.10640	10.9
209.11674	28.2
227.12799	3.6
255.16000	2.4
283.15311	100.0
289.81082	1.7
301.16403	2.6
313.27277	84.4
314.27533	1.9
323.08386	1.6
355.90936	1.7
521.38281	77.6
522.38263	2.1
539.38831	11.0
556.57214	2.1
640.37073	1.8
821.13190	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	26.2
69.03397	1.5
69.07047	14.0
71.04965	1.9
71.08604	19.6
73.02890	3.0
79.05457	20.1
81.03380	4.8
81.07024	26.3
83.04953	13.8
83.08607	11.9
85.02875	18.3
85.10171	12.8
86.09670	1.4
91.03932	9.0
91.05444	13.2
93.07005	23.1
95.04919	8.7
95.08578	26.3
97.02859	12.4
97.06504	4.9
97.10121	5.6
99.04414	1.6
105.06985	5.8
107.04922	10.7
107.08535	10.9
109.02817	1.6
109.10127	8.9
111.04408	12.8
111.08073	1.5
117.06961	6.7
119.08521	6.8
121.10087	7.2
123.11642	4.9
125.06016	1.3
129.06975	2.4
131.08495	6.3
133.10129	1.5
135.07993	1.6
135.11662	13.9
145.06483	1.8
145.10094	19.9
147.07962	1.4
149.09676	2.0
155.08618	1.9
163.05893	1.9
163.11137	19.3
173.09563	7.1
178.88988	1.2
191.10585	10.4
209.11670	24.5
239.23601	3.0
255.15771	4.7
257.24518	2.5
283.15283	100.0
284.15613	2.3
301.16400	2.9
313.27271	79.2
521.38171	76.0
522.38892	1.5
539.38965	7.8
922.92188	1.4
928.42316	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	18.7
69.03405	2.8
69.07043	7.6
71.01360	1.5
71.08609	26.5
73.02885	7.2
77.99242	1.1
79.05468	8.8
81.03403	2.5
81.07032	26.9
83.04962	2.4
83.08594	18.8
85.02886	16.0
85.06537	1.8
85.10152	15.3
86.87422	1.2
91.03903	9.0
91.05453	18.4
93.07016	16.1
95.04913	2.5
95.08586	24.3
97.02870	13.4
97.06490	1.6
97.10138	6.1
99.00787	20.4
99.04434	1.3
105.07008	14.6
106.52280	1.0
107.04931	6.8
107.08588	6.9
107.34414	1.2
109.02849	7.6
109.10133	12.2
111.04436	1.4
111.08055	2.0
114.35564	1.2
115.03881	1.8
117.07003	4.9
119.08538	10.0
121.06459	10.3
123.11690	5.6
127.03872	7.1
130.55383	1.3
131.08571	1.9
133.06485	2.0
133.10091	39.4
135.08113	1.1
143.08510	4.8
145.04886	1.7
151.11136	11.6
161.09601	19.4
163.05957	2.5
171.08003	6.2
179.10620	12.0
189.09029	10.0
192.72293	1.2
197.11684	4.7
203.45961	1.2
207.10054	2.5
221.16763	1.4
225.11139	11.9
239.23737	1.7
261.87949	1.2
274.11194	1.1
281.13730	12.5
299.14804	100.0
313.27264	99.3
455.09329	1.3
537.37695	68.0
816.02808	1.3
897.64801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45347	1.4
72.40251	1.8
99.10511	1.7
127.19830	1.6
278.46268	1.7
297.26102	1.6
340.89310	1.9
421.23624	8.5
429.20667	2.5
443.22797	2.4
445.19879	3.0
459.21094	5.5
460.22156	3.8
461.23291	6.3
472.22369	2.7
473.23398	2.5
487.25204	3.2
517.25635	1.8
545.25330	25.7
546.25397	2.0
547.26624	7.9
554.23029	7.9
555.23590	3.5
605.26788	7.8
625.26978	2.2
640.29987	2.7
641.27533	3.2
642.28027	13.1
667.28680	2.7
711.27673	2.6
743.29883	2.3
863.32635	13.3
895.34357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05112	1.7
67.05481	53.9
69.03400	4.7
69.07049	13.5
71.04961	5.9
73.02885	5.1
74.22384	0.9
79.05462	28.8
81.03374	1.9
81.07025	55.5
83.04948	7.6
83.08601	4.9
85.02870	8.8
85.06500	5.8
86.91619	1.1
91.03925	5.9
91.05441	38.2
92.80938	1.1
93.07009	35.8
95.04933	6.8
95.08564	23.4
97.02857	6.2
97.06501	4.9
99.04457	1.6
105.06990	39.0
107.08558	38.7
107.09225	2.1
108.60801	1.0
109.06503	7.0
109.10125	65.1
109.10883	2.2
111.08028	1.7
113.06036	1.8
116.98304	1.1
117.06967	2.7
119.08530	8.1
121.10117	8.7
123.08078	1.2
123.11661	12.1
125.09572	1.5
127.03818	1.4
127.07512	4.5
131.08530	9.5
133.10083	60.1
135.11658	7.4
145.10068	1.7
147.11659	2.0
149.13159	2.2
151.11125	31.2
159.11671	1.5
161.09554	1.3
161.13184	2.1
163.14778	1.4
169.12288	3.8
179.68762	1.3
186.76567	1.1
187.45738	1.1
189.03661	1.3
202.49347	1.2
243.21120	1.9
253.14246	100.0
261.22006	7.9
271.15335	20.9
326.54443	1.2
335.25690	38.8
457.32379	1.5
504.49829	1.5
513.35785	8.2
531.36664	60.5
631.29095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	17.4
69.07041	7.4
71.08602	21.8
73.02875	3.3
79.05447	17.1
80.25895	1.6
81.03393	11.0
81.07024	25.1
83.01295	8.7
83.04952	9.9
83.08583	13.9
85.02876	22.9
85.10147	12.0
91.03918	9.2
91.05448	9.0
93.07022	20.9
95.04914	7.4
95.08566	22.1
97.02850	8.7
97.06477	3.1
97.10126	7.1
105.07013	7.8
105.47205	1.9
107.04900	6.8
107.08574	12.6
109.06488	7.6
109.10118	10.8
117.06976	8.1
119.08539	8.6
121.06460	1.8
121.10107	11.2
123.08053	8.6
123.11693	2.4
131.08533	2.4
133.16068	1.7
135.11671	12.1
145.10051	15.0
146.86742	1.9
147.08026	2.3
153.12691	2.5
163.11136	24.3
170.48042	1.7
173.09598	2.0
209.11606	4.0
220.12511	1.9
283.15298	100.0
327.28815	95.0
362.83310	2.0
535.39801	67.5
720.03870	2.4
906.27698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63361	1.1
65.47201	1.2
67.05492	7.0
69.03407	2.7
71.04958	1.7
73.02885	2.8
75.62892	1.3
77.18610	1.3
81.07028	3.0
82.56249	1.4
85.02893	6.2
88.76447	1.4
91.03925	2.0
93.07027	2.8
95.08585	3.0
97.02164	1.3
97.02856	5.7
101.02361	2.5
109.10136	1.3
126.09543	1.4
127.03899	2.5
135.11768	2.0
243.08333	2.0
277.50104	1.5
405.13556	2.4
441.55087	1.6
471.21921	9.2
497.30972	6.6
527.99695	1.7
615.67700	1.7
633.27124	9.5
659.35913	3.4
685.06403	1.8
687.41888	1.7
718.71570	1.7
727.45917	2.0
747.30206	1.4
889.50977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05112	1.7
67.05481	53.9
69.03400	4.7
69.07049	13.5
71.04961	5.9
73.02885	5.1
74.22384	0.9
79.05462	28.8
81.03374	1.9
81.07025	55.5
83.04948	7.6
83.08601	4.9
85.02870	8.8
85.06500	5.8
86.91619	1.1
91.03925	5.9
91.05441	38.2
92.80938	1.1
93.07009	35.8
95.04933	6.8
95.08564	23.4
97.02857	6.2
97.06501	4.9
99.04457	1.6
105.06990	39.0
107.08558	38.7
107.09225	2.1
108.60801	1.0
109.06503	7.0
109.10125	65.1
109.10883	2.2
111.08028	1.7
113.06036	1.8
116.98304	1.1
117.06967	2.7
119.08530	8.1
121.10117	8.7
123.08078	1.2
123.11661	12.1
125.09572	1.5
127.03818	1.4
127.07512	4.5
131.08530	9.5
133.10083	60.1
135.11658	7.4
145.10068	1.7
147.11659	2.0
149.13159	2.2
151.11125	31.2
159.11671	1.5
161.09554	1.3
161.13184	2.1
163.14778	1.4
169.12288	3.8
179.68762	1.3
186.76567	1.1
187.45738	1.1
189.03661	1.3
202.49347	1.2
243.21120	1.9
253.14246	100.0
261.22006	7.9
271.15335	20.9
326.54443	1.2
335.25690	38.8
457.32379	1.5
504.49829	1.5
513.35785	8.2
531.36664	60.5
631.29095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.566
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31846	2.9
65.03936	5.7
67.05483	100.0
67.05817	5.1
67.35155	3.0
69.03403	4.7
69.07046	32.4
71.04964	15.3
73.02868	3.8
79.05463	68.5
81.03398	16.5
81.07029	89.4
83.04964	13.9
83.08591	15.5
85.02887	6.1
85.06507	3.5
91.05449	68.3
93.07012	80.0
95.04927	23.2
95.08569	51.0
97.06485	24.6
97.10151	6.6
101.36803	2.9
105.06989	51.4
107.04913	5.9
107.08564	46.0
107.34090	2.8
109.06474	6.2
109.10117	27.9
111.08044	6.7
116.50084	2.5
117.06976	27.0
119.08538	38.0
121.06457	4.7
121.10103	30.6
122.53595	2.6
123.08044	4.8
125.09586	5.3
128.18744	3.2
129.06987	16.6
131.08508	33.9
133.06488	4.1
133.10095	24.9
133.36342	3.2
135.08011	5.9
135.11652	22.3
140.19156	3.1
143.08488	5.5
145.06531	3.3
145.10104	27.6
147.11702	16.0
149.09608	19.1
149.13246	16.1
151.11128	5.3
155.08472	5.5
157.10114	6.6
159.11652	19.7
161.13148	3.9
163.11157	5.9
169.10109	6.5
171.11516	3.9
173.04407	3.7
173.11789	3.1
173.13222	4.8
177.12726	5.0
185.13144	5.1
215.21593	2.7
227.12779	3.3
229.14352	6.0
232.99271	3.2
234.05685	3.0
257.18817	3.5
267.15918	3.1
269.17413	14.0
275.20004	26.7
349.23758	11.7
409.25885	3.2
423.27133	19.3
445.28851	4.5
449.28647	13.2
463.30399	22.4
503.33890	3.5
525.35913	10.1
529.34967	4.9
543.36658	54.2
561.37329	6.6
607.34088	12.7
623.42694	5.7
641.43420	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	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43398	0.9
65.03919	1.2
67.05482	76.8
69.03402	5.3
69.07043	27.5
70.02263	1.1
70.11416	1.0
71.04948	4.1
71.08589	0.8
73.02877	6.7
79.05010	1.7
79.05461	50.0
81.03384	4.0
81.07027	86.4
83.04964	7.2
83.08588	15.9
85.02871	15.7
85.06509	4.6
91.03896	8.0
91.05443	27.1
93.07008	78.9
95.04962	7.0
95.08573	43.2
96.88515	0.9
97.02843	9.4
97.06490	9.6
97.10147	2.4
99.04390	1.1
99.08033	1.7
105.06992	16.3
107.08562	44.4
109.06486	2.4
109.10119	14.7
111.08045	6.3
117.06979	8.7
119.08554	11.7
121.10104	26.9
123.08010	1.4
123.11660	4.5
127.03922	1.5
131.08514	14.7
133.10115	9.6
135.11661	14.2
145.04974	1.4
145.10078	4.2
147.11641	4.4
149.13206	30.4
149.14365	1.2
159.11629	16.7
161.13242	2.2
163.05974	1.8
163.14767	1.2
173.13229	5.5
177.12706	4.5
184.07364	1.2
185.93358	1.2
186.76723	1.1
195.13776	7.0
243.21083	1.3
261.21991	7.6
267.15936	1.0
269.17365	88.2
335.25690	42.7
335.29135	1.2
347.09164	1.2
500.98386	1.3
511.37582	1.3
529.38739	100.0
530.38965	4.1
547.39441	2.4
631.25427	1.2
691.74359	1.2
860.29816	1.6
887.49158	9.0
888.49615	20.1
889.50531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08243	0.2
69.03395	1.2
73.02898	0.2
78.49637	0.2
79.05452	0.5
83.04948	0.6
85.02876	4.2
87.73569	0.3
89.03894	2.9
97.02842	1.1
103.88506	0.3
107.04919	1.5
109.02819	0.3
111.04399	0.3
117.03325	3.8
127.03854	0.5
135.04366	13.2
145.02814	11.0
145.04936	0.4
163.03844	100.0
164.04166	1.3
204.97881	0.3
215.45273	0.3
295.05853	0.7
314.89008	0.3
325.09073	6.4
355.10059	3.6
457.52130	0.3
729.54858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
63.30258	1.5
67.05479	68.6
67.84119	1.6
69.03403	2.3
69.07040	21.8
71.04968	3.7
71.08576	1.6
73.02888	3.2
79.05457	48.0
81.07024	84.3
83.04936	8.6
83.08595	15.1
85.02884	15.2
85.06516	2.1
91.03927	9.7
91.05427	23.8
93.07004	68.3
95.04922	7.0
95.08565	39.0
97.02840	11.0
97.06512	8.0
97.10095	1.9
99.08036	3.1
105.07018	11.2
107.08561	36.3
109.06493	1.7
109.10117	16.5
111.08057	3.4
117.06976	6.6
119.08531	10.5
121.10097	24.2
123.08054	2.2
123.11684	2.0
131.08508	14.1
133.10078	8.9
135.11620	15.7
145.10034	2.0
147.11658	3.5
149.13196	26.4
159.11682	11.8
173.13165	2.5
177.12657	3.3
195.13846	2.9
261.22031	3.0
269.17337	67.2
295.77817	1.8
335.25677	38.1
372.96411	1.6
419.16092	1.6
497.29843	1.7
529.38678	100.0
547.39331	2.0
632.26733	1.9
660.50537	1.7
887.48651	6.1
888.49609	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	887.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	3.0
67.63225	0.3
69.03406	4.5
69.07041	1.2
71.01311	0.6
71.04970	0.9
71.08610	1.9
71.84159	0.2
73.02889	5.4
79.05460	2.1
81.03391	3.2
81.07032	3.7
83.04938	0.4
83.08599	1.0
85.02877	8.3
85.10146	0.6
87.04431	0.6
87.34991	0.2
88.60484	0.2
91.03918	3.4
91.05437	2.3
92.09322	0.9
93.07011	2.6
95.04961	0.5
95.08576	2.7
97.02855	6.9
97.03433	0.4
97.10168	0.3
99.04434	1.0
101.02316	2.2
105.07007	1.6
107.04932	0.4
107.08583	0.9
109.02880	1.4
109.10130	0.6
115.03918	0.4
117.07019	0.3
119.08547	0.9
121.10098	0.4
127.03876	2.6
129.06976	0.3
131.08545	0.4
133.10117	0.4
145.05011	0.3
147.11659	0.4
170.45528	0.2
175.11169	0.5
177.10231	0.3
185.04195	1.0
193.12222	1.2
203.05223	0.5
211.13251	0.5
243.08307	2.1
251.12679	0.5
301.50061	0.3
307.15121	0.3
313.27460	1.3
314.27643	0.3
335.25638	0.4
347.09363	3.4
360.68906	0.3
363.09067	0.3
365.10434	0.6
405.13556	6.0
421.77893	0.2
469.20322	8.8
470.21164	0.2
497.30841	5.4
529.38733	1.2
631.25641	6.9
659.35999	4.8
725.43542	2.1
887.49396	100.0
888.49945	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	887.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	7.4
69.03407	5.9
71.08604	1.6
72.58820	1.1
73.02892	5.5
79.05459	8.2
81.03397	2.3
81.07033	5.9
83.04969	1.8
83.08602	1.5
85.02867	8.8
91.03944	4.5
91.05463	6.5
93.07017	6.0
95.08578	5.3
97.02854	9.5
101.02341	2.3
105.06991	4.3
107.04923	1.3
107.08565	2.0
114.36859	1.1
119.08548	2.2
127.03901	2.0
131.08566	1.5
133.10062	2.0
193.12279	1.5
267.15997	6.1
290.53699	1.2
313.27231	1.6
335.25696	2.3
347.09509	4.3
351.90503	1.3
383.55441	1.2
405.13672	5.5
418.59811	1.3
469.20459	2.0
497.30927	6.7
527.37561	4.9
528.37885	4.9
625.03894	1.4
631.25897	1.7
659.36334	9.3
725.44409	2.3
735.07251	1.2
887.49487	100.0
888.49933	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	1.6
68.04439	0.8
69.03416	4.1
69.07017	1.3
71.08591	1.3
73.02888	6.5
78.16981	1.0
79.05459	1.1
81.03384	1.1
81.07036	5.3
85.02871	6.8
85.10162	1.0
91.03922	3.6
91.05457	1.5
92.08685	2.8
95.08577	2.0
97.02872	8.6
101.02348	2.2
105.07008	0.9
105.65555	1.0
119.08569	1.5
121.10172	0.9
124.37936	0.8
126.33890	0.8
127.03884	1.7
135.58128	0.8
147.11664	3.7
184.96844	0.9
242.87640	0.8
243.08417	1.7
313.27475	1.2
347.09506	1.7
365.10461	1.0
405.13574	3.7
469.20215	14.7
497.30771	4.4
609.35291	1.0
631.25134	7.5
659.36102	4.6
779.25342	1.1
887.49365	100.0
888.50714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.5
67.05482	81.2
69.03399	4.4
69.07052	16.7
71.04949	4.4
71.08595	2.6
73.02892	8.1
73.66171	2.0
74.74445	2.5
79.05457	57.5
81.03387	100.0
81.07027	71.8
83.04925	3.7
83.08606	26.3
85.02869	29.4
85.06509	2.3
90.24456	2.4
91.03931	18.7
91.05443	39.5
93.07014	56.5
95.04936	33.4
95.08563	50.2
97.02856	20.7
97.06485	5.1
97.10148	5.0
99.46070	2.7
105.06988	33.6
107.04915	10.5
107.08544	26.2
108.31127	2.1
109.06470	2.9
109.10149	22.3
111.08036	8.9
115.05414	2.6
117.06991	5.0
119.08527	31.5
121.10104	24.7
123.11626	5.2
123.63568	2.4
127.03867	3.4
129.06949	11.6
129.52744	2.1
131.08514	22.4
133.06499	3.1
133.10043	21.0
135.07959	2.4
135.11662	13.1
137.09572	2.7
143.08488	3.4
145.10085	12.1
147.08015	4.1
147.11668	14.5
149.09531	4.1
149.13184	4.7
157.10086	9.4
159.11649	2.9
161.13173	4.2
163.05913	3.2
163.11108	2.5
173.13229	4.3
175.11108	10.3
189.16016	2.8
189.50679	2.2
193.12206	23.0
257.31006	2.3
261.22055	14.2
267.15817	60.0
335.21951	3.6
335.25690	66.9
453.33295	4.3
459.50784	2.2
468.37549	3.1
527.36890	46.7
545.37982	40.5
569.37952	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	886.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.9
67.05480	46.1
69.02960	1.1
69.03383	2.7
69.07043	13.6
71.04951	1.6
79.05465	41.7
81.03377	9.1
81.07030	41.2
83.04945	13.1
83.08591	3.0
85.02872	6.4
85.06545	1.4
91.03928	1.9
91.05451	48.8
92.22875	1.4
93.07008	45.8
95.04937	9.7
95.08573	23.3
97.02844	2.4
97.06496	5.8
97.10130	1.6
105.06999	33.4
107.04926	11.4
107.08555	19.3
109.06465	3.3
109.10118	9.8
117.06999	5.8
119.08537	17.2
121.10094	13.9
123.11632	1.4
124.42001	1.2
127.99807	1.5
129.06932	11.0
131.08502	16.6
133.10089	22.3
135.11653	6.1
142.07733	1.7
145.10098	9.7
147.08051	1.5
147.11615	14.3
149.09592	1.7
149.13248	1.7
157.10091	9.2
159.11652	2.3
159.37524	1.5
161.13277	1.7
163.11186	1.7
169.09894	1.9
175.11108	3.2
183.11528	1.6
193.12175	2.0
243.21062	1.6
261.22113	6.7
264.11136	1.6
267.15854	18.1
313.27490	2.3
323.20285	1.5
334.58554	1.3
335.25610	12.1
344.51654	1.3
405.23587	1.3
527.37177	100.0
545.38440	2.9
886.49384	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.9
67.05480	46.1
69.02960	1.1
69.03383	2.7
69.07043	13.6
71.04951	1.6
79.05465	41.7
81.03377	9.1
81.07030	41.2
83.04945	13.1
83.08591	3.0
85.02872	6.4
85.06545	1.4
91.03928	1.9
91.05451	48.8
92.22875	1.4
93.07008	45.8
95.04937	9.7
95.08573	23.3
97.02844	2.4
97.06496	5.8
97.10130	1.6
105.06999	33.4
107.04926	11.4
107.08555	19.3
109.06465	3.3
109.10118	9.8
117.06999	5.8
119.08537	17.2
121.10094	13.9
123.11632	1.4
124.42001	1.2
127.99807	1.5
129.06932	11.0
131.08502	16.6
133.10089	22.3
135.11653	6.1
142.07733	1.7
145.10098	9.7
147.08051	1.5
147.11615	14.3
149.09592	1.7
149.13248	1.7
157.10091	9.2
159.11652	2.3
159.37524	1.5
161.13277	1.7
163.11186	1.7
169.09894	1.9
175.11108	3.2
183.11528	1.6
193.12175	2.0
243.21062	1.6
261.22113	6.7
264.11136	1.6
267.15854	18.1
313.27490	2.3
323.20285	1.5
334.58554	1.3
335.25610	12.1
344.51654	1.3
405.23587	1.3
527.37177	100.0
545.38440	2.9
886.49384	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	0.8
67.05479	22.5
69.03396	4.2
69.07044	6.4
71.04967	4.7
73.02874	2.4
79.05459	23.5
81.03384	100.0
81.06548	1.0
81.07020	25.3
83.04951	12.8
83.08591	23.3
85.02370	0.8
85.02875	18.3
85.06514	1.3
85.62358	0.5
88.15769	0.6
91.03906	3.1
91.05443	30.1
93.07011	19.7
95.04929	32.6
95.08572	10.6
97.02861	6.3
97.06494	3.6
97.10127	8.9
99.04404	0.7
99.08015	0.7
105.05883	0.6
105.06993	21.8
107.04909	10.8
107.08558	9.1
107.54379	0.6
109.06454	5.6
109.10123	5.8
111.04395	2.2
111.08048	10.0
113.05906	1.0
115.05408	1.3
117.06970	3.9
119.04898	1.1
119.07741	1.0
119.08540	21.7
121.06443	4.8
121.10101	10.7
123.04381	1.1
123.08015	3.7
123.11658	2.0
125.09575	5.7
128.06064	0.7
129.06961	16.8
131.04872	1.0
131.08516	14.5
133.06438	5.7
133.10081	11.2
135.08003	2.7
135.11584	0.7
137.05899	0.9
137.09531	3.1
141.07008	0.7
142.07716	3.3
143.08525	1.2
144.49815	0.6
145.05023	0.6
145.06467	8.0
145.10072	4.1
147.04347	0.7
147.07999	6.6
147.11644	15.3
149.09584	8.0
153.09091	0.9
155.08517	2.6
157.06451	1.4
157.10074	15.6
159.08014	1.0
159.11549	0.8
161.05945	1.1
161.09488	0.9
163.03838	2.3
163.11137	2.9
165.12682	3.6
167.08548	0.5
169.06500	0.8
169.10030	0.8
171.07983	2.0
171.11568	1.0
173.09526	1.3
175.11107	16.9
181.10069	0.9
183.07904	0.7
185.13100	0.9
189.11162	1.2
193.12175	47.5
195.11613	1.1
197.13150	0.8
199.11111	0.8
203.14252	0.6
205.12131	0.7
209.09616	0.7
211.13210	13.9
213.12704	1.0
215.14185	0.6
225.12595	0.7
227.14401	0.7
229.14220	1.2
233.15295	0.8
237.12569	1.0
249.14857	1.1
255.13686	3.9
267.15805	88.2
268.16235	0.8
273.14667	7.2
283.15353	1.0
285.16858	10.1
339.22852	1.3
341.20871	3.6
349.21423	4.7
367.22577	6.5
385.23544	9.1
403.24579	3.3
433.25754	15.8
441.26288	7.0
442.26834	0.6
459.27234	81.5
460.27478	3.1
477.28293	51.0
478.28232	2.4
491.29874	0.9
501.28226	2.3
509.30737	1.1
519.29034	3.2
585.29913	1.2
603.31006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60327	0.6
67.05489	2.9
69.03416	4.5
69.07055	1.4
71.04941	0.6
71.08608	3.5
73.02889	6.8
79.05473	0.8
81.03401	4.0
81.07035	2.9
83.04969	0.7
83.08588	1.0
85.02869	9.5
85.10150	0.9
90.19854	0.7
91.03939	4.7
92.08669	1.9
93.07032	2.7
95.08599	1.5
97.02854	9.3
97.06534	0.6
98.51241	0.6
99.04433	1.3
101.02365	1.1
107.08589	1.2
109.10150	1.2
123.11686	1.0
127.03870	2.6
131.08463	0.7
134.02252	0.7
135.11700	1.1
145.10095	1.3
147.98814	0.6
163.11171	2.5
185.04199	1.3
198.93994	0.7
227.12746	1.1
243.08406	0.9
249.10976	3.0
258.67313	0.7
313.27280	1.5
347.09439	3.4
405.13504	6.8
467.18753	7.2
497.30801	8.4
629.23981	4.3
642.31586	0.7
659.35876	9.3
723.43262	2.9
885.47852	100.0
886.47943	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	885.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.8
69.03409	3.9
69.07025	0.6
71.08623	1.1
71.22650	0.5
73.02895	5.2
78.26846	0.5
79.29123	0.5
81.03398	2.7
81.07007	0.7
83.04977	0.7
83.08577	1.0
85.02876	8.4
91.03933	5.2
91.05457	0.7
93.06998	0.8
93.84619	0.6
95.08576	0.8
97.02867	7.9
101.02348	2.6
102.01164	0.5
127.03892	2.3
137.81535	0.6
144.70920	0.6
152.06210	0.5
163.11128	0.6
185.04155	0.7
203.05267	0.8
207.09305	0.6
243.08406	2.6
313.27271	0.8
327.59369	0.6
347.09457	2.8
365.10373	0.7
405.13605	6.7
467.18674	9.1
497.30609	5.1
540.63116	0.7
629.24066	7.3
659.36646	4.6
723.42950	2.1
788.44904	0.6
885.47876	100.0
886.48572	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	884.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	0.7
67.05483	62.2
69.03406	1.9
69.07045	10.8
71.04972	17.5
71.08605	20.2
73.02888	1.8
79.05456	7.8
79.29659	0.8
81.03393	1.6
81.07024	23.3
83.04942	3.2
83.08590	12.5
85.02872	10.8
85.06487	1.1
85.10143	13.4
91.03917	5.9
91.05443	10.4
93.07001	11.8
95.04922	0.9
95.08029	1.4
95.08577	28.2
97.02853	5.3
97.06506	1.6
97.10129	5.1
99.11688	1.0
105.06964	3.1
107.04900	1.0
107.08536	5.9
109.10123	64.2
111.08056	1.7
111.11690	0.8
117.06989	1.4
119.08548	9.3
121.10149	3.4
123.11654	3.4
127.03860	1.1
133.10080	0.9
135.11647	9.3
137.09560	10.4
137.13248	1.2
145.04945	1.0
145.10065	1.4
155.10617	1.1
163.05940	1.4
163.11052	1.6
169.12021	1.0
173.11678	12.9
229.14284	1.2
239.23672	1.8
243.15831	1.1
254.09512	0.9
255.15924	3.5
271.15384	0.9
287.18515	10.2
313.27203	18.7
467.37170	70.2
468.37140	1.1
481.38516	1.1
493.38660	4.5
507.40393	1.7
525.41309	100.0
526.41412	3.9
539.28223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.4
68.32397	1.2
69.03400	2.2
72.33782	1.1
73.02882	2.5
79.05473	1.7
81.03406	1.6
81.07004	2.4
85.02895	5.3
85.10134	1.5
91.03912	4.1
93.06995	2.0
95.08573	1.4
97.02881	5.3
109.10155	1.3
114.35194	1.3
127.03896	1.8
147.11633	1.2
164.11584	1.3
243.08510	1.5
347.09399	2.3
405.13663	6.9
465.20963	10.3
497.31119	5.1
527.57050	1.2
627.26318	7.9
659.35724	2.3
883.49976	100.0
884.50476	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	884.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	15.6
69.03398	2.5
69.07042	4.8
71.01313	0.6
71.04953	3.1
73.02880	0.9
79.05461	19.4
81.03385	42.8
81.07024	17.2
83.01317	3.9
83.04955	7.4
83.08591	13.8
85.02872	5.8
85.06515	1.0
91.03916	2.3
91.05441	17.2
93.07008	19.3
95.04927	17.7
95.08567	8.2
97.02850	5.7
97.06489	3.1
97.10125	8.1
99.04384	0.7
105.06999	13.8
107.04922	10.5
107.08541	10.1
109.02845	1.8
109.06483	6.7
109.10127	4.9
111.04410	2.9
111.08059	4.2
115.05426	1.0
117.06976	6.2
119.04902	0.9
119.08530	11.2
121.06468	3.9
121.10085	6.2
123.04377	2.1
123.08041	5.6
125.05973	0.5
125.09597	6.1
127.03827	0.5
129.06963	5.2
130.07652	0.7
131.04869	2.7
131.08533	7.9
133.06424	3.3
133.10107	3.6
135.04367	0.9
135.08017	2.1
135.11639	6.6
137.05922	0.7
137.09540	1.7
141.06918	0.6
142.07729	0.9
143.08519	2.0
145.06454	2.9
145.10071	10.2
147.04337	2.2
147.08000	4.7
147.11662	4.8
148.97334	0.5
149.09550	4.5
153.12679	1.2
155.08513	2.1
157.06453	0.9
157.10095	4.9
159.08002	1.1
159.11565	0.9
161.05931	5.1
161.09541	0.8
163.05984	0.8
163.07607	0.5
163.11107	12.7
165.12683	0.9
169.06387	0.8
169.10011	0.9
171.07935	1.1
171.11601	0.6
173.05936	1.0
173.09576	3.4
175.07500	0.7
175.11162	5.2
181.12177	1.9
183.11661	0.5
185.05936	0.5
185.09595	0.6
185.13225	0.8
187.07454	1.0
187.11169	0.7
189.09232	1.1
189.11076	1.0
191.10565	2.6
193.12167	10.5
199.07431	0.6
203.14314	0.5
205.12204	1.2
207.11809	0.6
207.13766	0.5
209.11691	2.9
211.11157	0.9
211.13133	0.9
225.12660	0.8
227.12740	2.5
231.13661	2.2
243.13751	0.9
249.14908	1.1
259.13165	1.1
267.15820	16.5
269.15448	0.8
271.13159	1.1
273.14825	3.0
283.15302	13.0
287.16205	0.6
289.14175	3.4
300.91107	0.5
337.21509	0.9
342.06802	0.5
355.22592	2.6
365.20914	3.9
383.22021	14.5
401.23032	6.8
431.24075	1.0
439.24680	1.1
457.25745	17.4
473.51736	0.6
475.26730	100.0
476.26920	2.1
493.27707	9.2
517.27570	3.3
571.28662	1.8
583.28741	0.9
601.29749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63403	0.9
67.05486	24.9
69.03403	6.3
69.07043	11.6
71.04962	4.1
71.08608	24.8
73.02877	4.0
79.05473	16.6
81.03388	47.4
81.07021	28.6
83.04949	14.1
83.08588	22.9
85.02877	35.4
85.06503	1.4
85.10159	13.8
86.52665	1.0
91.03914	8.6
91.05445	22.1
92.09337	1.2
93.07008	10.4
95.04920	18.8
95.08566	21.5
97.02834	8.8
97.06507	2.5
97.10129	6.3
99.04396	1.3
105.06998	17.6
107.04916	5.8
107.08560	4.7
109.06490	1.7
109.10169	9.6
111.08041	6.9
115.05376	1.5
119.08551	13.4
121.06394	1.9
121.10099	6.2
123.07986	1.9
123.11641	4.3
125.09609	1.2
129.06979	8.4
131.08517	8.5
133.10089	6.8
142.07733	1.3
147.08003	2.6
147.11661	11.4
149.09583	6.8
157.10069	9.4
163.06036	1.1
175.11110	13.2
193.12177	30.9
211.13213	31.4
257.24612	1.4
267.15765	11.6
285.16870	43.1
313.23801	2.2
313.27267	55.2
314.27692	1.9
326.31982	1.0
505.38724	9.2
523.39783	100.0
672.05811	1.2
779.22412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23097	0.4
65.23743	0.4
67.05483	23.7
69.03407	5.2
69.07047	11.0
71.04958	3.7
71.08211	0.9
71.08603	26.7
73.02893	5.3
77.42189	0.5
79.05464	15.7
80.73708	0.5
81.03389	41.9
81.07025	28.9
83.04953	11.1
83.08594	23.3
83.09093	0.5
85.02880	29.6
85.03383	1.1
85.06522	2.1
85.10153	15.8
87.04425	0.8
89.06026	2.0
91.03924	8.9
91.05446	21.5
93.07012	12.1
95.04929	16.8
95.08572	26.3
97.02853	9.9
97.06505	3.2
97.10134	6.2
99.04443	0.9
99.08063	1.0
103.07558	0.8
105.07003	13.9
107.04952	5.1
107.08543	4.6
109.02840	0.6
109.06484	3.1
109.10126	11.6
111.04434	1.1
111.08051	7.1
113.05993	0.7
115.05418	0.7
117.06968	0.6
119.08545	14.0
121.06452	0.6
121.10111	8.0
123.08028	2.4
123.11657	4.8
125.09602	0.9
125.13164	0.6
127.03875	1.0
129.06961	7.0
131.08524	9.6
133.06464	1.9
133.10074	6.8
135.11714	0.7
137.09633	0.8
137.13210	0.9
142.07741	2.0
145.04919	1.1
145.10066	0.6
147.04419	2.5
147.08006	1.0
147.11652	11.9
149.09586	4.9
157.10065	10.0
163.05969	1.0
163.11200	0.6
165.12721	2.1
171.11440	0.5
175.11118	10.4
184.07417	0.5
193.12184	28.2
211.13235	20.0
239.23579	2.9
249.18532	0.6
257.24646	1.2
267.15836	11.4
267.18872	0.7
285.16849	27.2
313.27255	70.6
314.27652	1.2
321.37384	0.6
416.12427	0.6
417.71646	0.5
501.39117	2.3
505.38736	17.9
522.39014	0.6
523.39771	100.0
524.40179	2.5
683.27740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44919	5.5
65.28653	4.9
67.05466	23.1
69.07044	13.9
71.08597	31.6
72.21086	5.0
73.85043	5.8
79.05453	7.9
81.03365	6.2
81.07022	81.2
83.04932	11.5
83.08587	9.7
85.02879	11.7
85.10150	8.5
88.85566	6.1
90.03093	5.3
91.05439	24.0
92.09358	16.8
93.07036	9.2
95.08561	38.3
103.71803	5.7
105.07005	25.9
107.08586	5.7
109.06459	7.9
116.27719	5.2
119.08548	23.0
121.10103	23.9
123.11667	33.9
126.60191	5.7
147.11649	66.2
153.34328	5.5
165.12671	26.9
173.62057	5.5
176.81621	5.4
205.57324	6.8
267.15790	65.3
283.15344	7.3
285.16901	73.0
309.52084	6.5
313.27240	100.0
523.39771	93.5
772.26355	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	881.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02866	1.2
61.11945	1.1
65.03899	2.1
67.05157	1.6
67.05482	35.2
69.03403	1.1
69.07030	7.7
69.30791	1.0
70.09891	0.9
71.04974	1.7
79.05015	1.3
79.05465	31.0
81.03374	6.0
81.07030	27.7
83.04949	8.0
83.08571	1.8
88.48738	1.1
91.05455	21.5
93.03397	1.5
93.07014	29.4
95.04926	14.2
95.08572	18.8
97.02850	1.5
103.05428	1.1
105.04430	1.3
105.06519	0.9
105.07000	15.3
107.04944	2.0
107.08569	9.4
109.10131	5.4
111.04405	2.0
115.05421	2.6
117.06986	8.9
119.08519	7.1
121.02862	1.8
121.10092	11.1
123.04398	2.0
123.11652	1.3
129.06947	5.6
131.08534	7.7
133.10114	5.1
135.11665	6.0
141.06929	2.8
141.61292	1.2
143.04994	1.4
145.06465	2.5
145.10059	2.5
147.11642	2.4
153.06947	7.1
155.04880	2.9
155.08562	1.3
157.06419	4.7
159.04329	1.8
159.11600	2.4
161.02307	1.4
161.05956	13.6
163.03809	9.8
165.06909	2.2
167.08527	2.3
169.06444	4.8
171.04372	2.2
171.54619	1.2
173.05917	67.0
173.13184	1.3
175.03833	2.1
175.07507	2.1
177.05339	2.5
179.08472	1.5
181.06409	8.7
183.07988	2.0
185.05933	7.2
187.03889	2.9
187.07417	13.4
189.05391	8.5
195.08000	2.5
197.05836	9.2
199.03815	4.3
199.07455	17.9
200.04556	1.5
201.05411	30.0
203.07013	1.9
207.08211	1.4
211.07436	10.1
211.13174	1.2
213.05394	24.6
213.08978	9.3
215.06984	5.7
217.04900	100.0
218.45557	1.3
221.09282	1.4
223.07481	4.7
225.05363	8.1
227.06967	13.0
229.04874	11.2
239.06931	5.6
241.04878	2.9
243.06580	1.7
249.12500	1.9
253.08168	2.1
261.21930	1.5
265.12128	5.3
265.72845	1.2
267.13669	2.6
275.10678	1.4
283.13147	2.6
285.14636	1.6
293.11716	1.6
295.35867	1.3
309.14688	4.8
311.12726	22.0
311.16068	2.5
313.14255	6.3
327.15860	1.8
329.13730	46.9
333.24216	1.5
335.25626	7.6
337.14182	14.7
347.14676	1.3
355.15286	20.0
373.16214	5.0
385.16324	37.2
403.17361	2.3
411.17825	7.8
429.19022	10.1
485.17828	1.8
513.86346	1.2
645.37286	1.9
663.38190	9.1
689.40625	9.7
707.40979	2.2
837.42145	1.5
863.44397	2.4
880.42572	2.7
881.45416	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	881.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61705	2.4
67.05476	36.3
70.87260	3.0
72.77803	2.9
79.05466	42.1
81.03396	6.1
81.07028	30.8
83.04934	5.4
83.08599	4.9
91.05427	22.7
93.06995	31.2
95.04937	14.4
95.08575	14.7
105.06985	18.8
107.08556	12.8
108.02974	2.9
109.10120	3.3
111.04420	4.8
117.06990	4.5
119.08485	9.7
121.10106	4.2
123.11649	3.5
128.83015	3.6
131.08528	6.5
133.10129	3.9
153.06920	3.4
155.08488	4.4
161.05940	14.3
163.03847	4.0
171.07967	3.1
172.92151	2.9
173.05913	54.2
179.08420	4.6
179.53598	3.7
181.06418	5.7
185.05920	5.4
187.07442	11.4
189.05421	3.3
195.08018	3.6
197.05838	5.1
199.07530	19.8
201.05414	27.8
211.07492	14.0
213.05392	18.2
213.09052	5.3
217.04877	100.0
223.07523	3.1
225.05421	6.2
225.08926	4.8
227.06915	13.7
229.04866	3.8
283.13290	4.5
299.16180	3.2
311.12683	19.0
313.14273	3.0
327.15784	4.8
329.13696	48.8
335.25482	3.2
337.14334	6.3
345.79291	3.5
355.15317	21.2
373.16257	5.4
385.16156	28.4
403.16705	3.9
429.18936	13.5
605.74805	3.6
645.38159	3.8
663.37933	5.1
689.40216	6.0
700.31891	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	881.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	3.6
67.05482	28.1
69.07043	5.4
69.48452	2.6
79.05456	31.0
81.03365	2.6
81.07019	26.5
83.04969	4.3
86.09645	3.5
91.05445	17.4
93.07004	21.9
95.04910	6.7
95.08573	21.3
97.02903	2.9
105.06979	17.7
105.72361	2.8
106.58684	4.1
107.08553	6.2
109.10128	6.3
117.06996	5.0
119.08546	12.8
121.10085	5.8
122.19701	2.8
131.08484	5.6
133.10095	11.7
136.78860	3.0
137.30905	2.8
153.06926	4.2
157.06374	4.3
159.11626	4.1
161.05951	15.6
163.03889	3.0
173.05901	55.9
179.66199	3.3
181.06387	13.2
185.05864	12.9
187.07465	12.7
189.05444	6.3
197.05898	7.4
199.03745	3.7
199.07436	16.1
201.05298	21.2
211.07426	6.5
213.05421	35.8
213.09007	6.0
215.06891	4.2
217.04883	100.0
225.05370	14.0
227.06850	15.4
229.04776	5.4
239.07077	4.9
309.14761	4.3
311.12659	14.6
313.14163	4.6
329.13614	46.8
335.25674	5.6
337.14111	18.5
355.15167	19.4
355.59833	3.8
385.16287	32.1
411.17816	15.2
429.18817	7.1
483.79837	3.9
663.38599	7.4
689.39832	12.7
881.45142	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	881.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61418	1.6
67.05481	45.0
69.07046	11.1
72.68333	2.0
79.05463	48.2
81.03394	8.5
81.07024	43.7
83.04951	10.4
83.08582	2.7
90.70490	2.0
91.05442	36.2
92.08609	4.6
93.07001	40.4
95.04927	17.2
95.08564	25.6
97.10164	2.4
99.10587	1.9
105.04474	3.1
105.06993	19.7
107.04932	7.2
107.08571	12.6
109.06484	2.4
109.10146	10.1
111.04401	3.0
115.05440	3.0
117.06985	9.6
119.08553	15.0
121.10094	10.5
123.04397	2.7
123.08040	2.2
123.11689	3.5
129.06963	9.4
131.08528	9.3
133.10121	11.3
134.66695	2.0
135.04372	2.1
135.11690	2.3
137.09584	2.2
141.06926	2.9
143.08563	2.4
145.06372	2.4
145.10094	2.9
149.05949	2.8
153.06950	4.8
155.04829	2.6
155.08380	2.1
157.06447	3.0
161.05907	17.5
161.13164	2.7
163.03835	21.4
167.04796	2.6
167.08548	2.9
169.06419	3.5
171.04375	2.1
173.05928	97.9
175.03836	7.8
175.07494	3.3
181.06462	11.8
183.07970	2.7
185.05922	11.7
187.03839	4.2
187.07480	22.8
189.05388	10.7
195.08018	2.7
197.05925	12.9
198.06723	2.2
199.03850	3.5
199.07501	28.3
201.05406	42.8
201.09146	2.7
203.08629	2.4
209.09431	2.3
211.07533	17.5
213.05455	34.6
213.09050	12.1
215.06976	10.2
217.04898	100.0
221.09563	2.2
223.07455	3.8
225.05440	14.9
225.09053	3.4
226.06169	2.7
227.06894	21.2
229.04889	14.0
237.09047	2.5
239.07034	7.3
241.08612	4.6
243.06487	4.7
249.12524	3.4
261.22012	2.5
263.14301	2.3
267.13788	7.7
278.07999	2.0
281.15134	3.0
291.13748	2.8
302.14099	2.1
309.15005	7.2
311.12674	21.3
313.14114	8.6
329.13687	63.2
335.25766	8.7
337.14185	17.1
343.15829	2.7
353.99615	2.4
355.15292	25.0
373.16315	8.1
385.16208	27.0
403.17627	2.8
411.17825	4.0
429.18988	15.2
485.17810	2.3
645.37207	2.7
663.38782	15.2
689.39691	17.2
707.41010	3.3
740.96771	2.1
863.46143	3.2
881.44733	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	880.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02886	8.7
67.05486	25.7
69.03394	4.0
69.07045	28.3
71.04967	3.4
71.08567	1.8
73.02885	2.9
79.05458	22.8
81.03386	50.1
81.07026	35.9
83.04943	11.5
83.08591	28.5
83.37268	1.6
85.02871	36.7
91.03908	6.7
91.05447	22.3
93.07020	19.7
94.38314	1.5
95.04922	21.3
95.08578	24.2
97.02852	9.6
97.06488	2.4
97.10108	9.8
105.06998	14.5
107.04922	3.0
107.08555	12.2
109.06486	1.8
109.10094	6.2
111.08044	6.5
113.05987	2.0
119.08520	15.8
121.10110	13.9
123.08013	2.0
123.11629	4.0
129.06941	9.5
130.69177	1.8
131.08514	9.7
133.10086	7.7
135.11636	3.1
139.45975	1.4
147.07967	2.8
147.11650	12.8
149.09544	3.0
149.13213	2.9
153.54175	1.4
157.10114	12.1
163.06044	2.2
165.12650	2.2
175.11186	11.5
193.12173	30.3
211.13202	33.5
222.87071	2.1
236.96304	1.9
267.15665	14.7
285.16840	43.5
311.25723	47.8
393.80106	1.6
503.37415	12.8
517.17712	1.5
521.38208	100.0
522.38531	3.0
523.31207	1.8
724.62201	2.1
858.65338	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02607	0.7
61.02903	13.9
67.05479	16.8
69.03412	2.6
69.07034	8.5
71.01305	0.8
71.04952	4.4
71.08604	21.1
73.02895	5.8
77.58757	0.6
79.05455	14.9
81.03389	10.7
81.07029	22.5
83.01298	9.8
83.04942	9.0
83.08125	1.1
83.08589	18.1
85.02879	17.8
85.10147	11.5
89.05977	0.9
91.03922	12.9
91.05443	7.7
92.09418	1.3
93.07007	19.7
95.04940	6.3
95.08569	20.1
97.02847	11.8
97.06498	3.5
97.10130	4.3
99.04420	2.6
99.11677	0.7
105.06992	7.1
107.04905	6.1
107.08566	11.0
109.06458	6.1
109.10120	9.7
111.04402	1.5
111.08023	0.9
111.11700	0.8
117.06967	5.9
117.09116	0.7
119.08517	5.1
121.06466	1.2
121.10090	6.3
123.08022	6.1
123.11671	2.7
125.05941	1.3
125.09627	0.9
127.03870	2.5
129.06984	1.2
130.07767	1.3
131.04897	0.7
131.08522	2.6
135.08044	1.0
135.11638	12.7
137.09595	1.2
137.13141	0.9
143.08542	0.8
145.04915	2.8
145.10085	16.2
147.07974	1.0
149.71164	0.7
153.12711	3.1
155.08485	1.0
163.05940	2.5
163.11124	25.7
173.09561	4.3
181.12166	3.7
191.10634	1.4
204.03084	0.7
209.11763	5.3
227.10461	0.7
227.12663	1.4
239.23672	2.6
257.24765	3.0
283.15295	100.0
284.15689	1.1
313.27258	87.7
314.27594	1.6
334.38531	0.8
353.20560	0.8
521.38196	65.9
522.38379	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	880.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	15.5
67.05481	16.3
69.03413	2.6
69.07037	8.2
71.01343	0.8
71.04965	3.1
71.08600	27.5
72.02326	0.5
73.02889	5.3
79.05460	16.5
81.03381	9.4
81.07025	24.6
83.01305	8.0
83.04956	9.4
83.08588	16.1
85.02872	19.9
85.06527	0.7
85.10152	17.4
89.05976	0.8
91.03916	11.7
91.05444	10.0
93.07010	20.1
95.04916	4.8
95.08567	22.6
97.02843	10.2
97.06496	3.5
97.10133	5.4
99.04422	3.9
99.11709	0.8
103.07540	0.7
105.06989	8.4
107.04918	6.6
107.08549	11.0
109.06504	4.0
109.10117	11.3
111.04421	2.6
111.08046	2.4
115.03883	0.7
117.06978	5.8
119.08525	6.4
121.06477	2.4
121.10101	5.5
123.08009	8.3
123.11674	3.3
125.05917	1.0
127.03870	1.5
129.06963	1.0
130.07729	1.0
131.08545	3.7
133.10100	1.3
135.08011	0.9
135.11652	10.8
137.09619	1.3
137.13153	0.8
143.08488	0.7
145.04967	3.3
145.10083	13.3
147.08044	2.6
151.14720	0.7
153.12703	3.0
163.05960	2.6
163.11108	21.5
173.09570	1.5
181.12177	2.9
191.10579	1.4
209.11621	4.7
227.12756	1.4
239.23628	2.8
239.61996	0.6
257.24652	3.6
261.51807	0.6
283.15286	75.4
313.27249	100.0
314.27731	2.3
348.67798	0.7
452.90097	0.7
486.51392	0.9
521.38165	95.5
522.38501	3.8
652.82098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	16.8
67.05482	25.7
68.05817	1.6
69.03394	7.8
69.07041	7.4
72.91966	1.3
73.02882	9.1
76.76837	1.3
79.05464	16.5
81.03386	23.3
81.07029	26.9
82.03744	2.4
82.07330	2.7
83.04953	7.3
83.08597	9.0
85.02890	23.1
85.06494	1.4
86.09696	2.1
90.90416	1.3
91.03907	10.3
91.05451	11.9
93.07008	13.7
95.04926	11.5
95.08582	12.2
96.08942	1.5
97.02857	13.2
97.06465	2.6
97.10141	2.6
99.04424	2.1
99.94180	1.3
101.02337	1.4
105.07007	10.2
107.04956	1.6
107.08553	6.3
109.06512	1.8
109.10124	2.4
111.08060	2.5
119.08535	8.9
121.10104	3.3
123.11671	1.7
127.03841	3.1
129.06958	2.0
131.08531	2.7
133.10112	3.3
135.11603	2.0
143.14366	1.5
147.11662	6.2
157.10175	2.5
159.47369	1.4
163.11191	2.0
175.11098	3.0
184.07376	2.0
186.76996	1.5
193.12207	9.1
194.12566	1.7
198.13684	1.6
211.13274	15.9
231.73083	1.6
251.10751	1.4
267.15811	1.8
285.16913	18.0
286.17218	6.0
309.24039	10.9
310.24585	5.8
378.72974	1.8
405.13541	9.7
467.18829	9.8
491.26047	5.6
519.36511	22.5
520.36719	19.4
579.58997	1.6
629.23730	3.0
641.41980	1.5
653.30853	2.4
879.42963	100.0
880.42609	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	17.1
62.02974	1.6
64.12056	1.9
67.05487	17.1
69.03384	2.5
69.07038	34.4
71.04946	1.9
71.08592	11.7
72.04480	2.4
73.02868	7.9
79.05476	23.4
80.14764	1.7
81.03360	11.4
81.07024	20.6
81.44866	1.8
83.01305	12.1
83.04955	14.1
83.08590	36.2
85.02879	17.6
85.10143	4.5
91.03923	4.5
91.05436	12.6
93.07001	31.0
95.04932	6.8
95.08572	10.8
97.02843	12.5
97.06493	8.7
97.10126	18.5
99.04440	2.1
100.94620	1.6
105.06975	9.2
107.04891	8.3
107.08559	17.5
109.06468	10.1
109.10113	2.4
111.11646	6.9
117.06976	8.4
119.08524	9.2
121.06473	3.1
121.10110	15.4
123.08000	9.0
127.03864	2.7
135.11636	14.6
139.11136	2.1
145.10065	16.9
163.11125	29.8
170.41341	1.8
173.09552	2.4
181.12073	2.4
184.07224	2.1
191.10576	2.5
209.11641	2.8
227.12769	2.2
283.15277	87.4
283.67154	2.0
311.25681	73.8
400.43454	1.9
463.98044	2.1
519.36621	100.0
536.39044	4.0
737.25140	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	4.7
65.03909	1.8
67.05479	30.5
69.03414	0.7
69.07035	9.2
71.04962	2.0
71.08603	15.5
73.02876	1.9
73.06490	0.7
79.05460	38.8
81.03387	5.0
81.07021	29.1
83.04953	7.8
83.08587	8.9
85.02872	6.8
85.06506	2.2
85.10149	9.1
89.05973	0.8
91.03914	2.8
91.05441	30.8
92.09357	0.9
93.07005	38.8
95.04931	11.7
95.08568	23.9
95.09027	0.4
97.02838	3.2
97.06483	1.9
97.10144	4.2
99.04400	0.5
101.05929	0.5
105.04451	0.8
105.06993	22.8
107.04906	3.6
107.08561	7.3
108.29964	0.4
109.06477	3.6
109.10115	7.9
111.11718	0.6
115.05360	0.6
117.05504	0.4
117.07004	5.0
119.08543	14.9
121.06449	1.7
121.10112	2.1
123.07973	2.9
123.11668	2.3
127.07572	0.5
128.06157	1.6
129.06964	8.9
131.08533	1.0
133.10060	5.8
135.11671	1.0
137.13208	0.6
142.07712	0.5
143.08531	6.7
145.04955	0.4
145.10063	5.0
147.08017	2.1
147.10469	0.8
147.11639	21.1
159.11641	0.5
161.09532	1.6
161.13203	6.0
163.06001	0.5
171.11610	12.5
189.12691	3.7
207.13737	10.2
212.00130	0.4
239.23627	1.0
257.24792	0.9
272.92249	0.5
281.17368	38.8
303.37476	0.4
313.27240	39.1
326.20645	0.4
519.40240	100.0
520.40717	2.1
526.66583	0.5
537.41193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	15.8
64.25610	1.3
67.05483	26.9
69.03400	2.3
69.07043	26.0
70.62040	1.1
70.85745	1.4
71.04946	2.9
71.08603	1.5
73.02879	7.4
73.90074	1.3
77.95448	1.4
79.05461	24.8
81.03374	8.3
81.07027	39.7
83.01309	5.8
83.04927	11.6
83.08590	30.8
85.02880	24.1
85.10121	1.5
88.82951	1.2
91.03896	11.7
91.05451	15.9
93.07005	30.0
95.04921	6.2
95.08574	22.4
97.02831	11.0
97.06473	6.0
97.10137	9.4
97.30665	1.7
99.04403	3.1
105.07003	10.6
107.04912	7.2
107.08551	18.9
109.06479	5.2
109.10139	7.8
111.08070	3.0
111.11678	1.8
117.06939	8.5
119.08540	7.4
121.06491	2.9
121.10091	16.2
123.08026	7.2
123.11588	1.6
125.05919	2.4
125.09585	1.8
127.03858	3.1
133.10081	1.7
135.07986	2.7
135.11647	19.6
144.73256	1.4
145.10159	15.3
147.07930	1.6
149.13155	2.6
153.12692	1.8
163.06001	2.5
163.11115	29.8
173.09561	1.9
181.12242	2.1
191.10614	2.7
191.84145	1.5
209.11533	4.7
214.83066	1.6
283.15289	100.0
306.68024	1.5
311.25702	78.7
442.26880	1.4
519.36609	61.2
879.45685	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	877.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	4.8
64.62261	0.7
67.05472	6.9
69.03406	3.3
69.07051	3.1
71.04971	1.8
73.02891	4.6
79.05447	5.4
81.03382	1.8
81.07038	5.7
83.08592	0.9
85.02888	5.0
86.09708	1.0
87.12634	0.7
89.05912	0.8
91.03935	3.1
91.05438	5.3
93.07008	7.1
95.04953	1.4
95.08598	4.4
97.02873	3.9
101.02371	1.7
105.06987	5.5
107.08581	3.7
109.10166	1.0
115.03946	0.9
117.06927	0.7
119.08556	2.9
121.10128	1.4
125.00011	1.1
127.03908	1.0
131.08571	1.0
133.10080	1.5
135.11734	1.0
145.10065	1.0
147.11699	1.8
184.07324	3.5
185.04095	0.9
206.57657	0.7
208.72752	0.7
243.08461	4.3
263.16183	0.8
291.61310	0.8
301.09027	1.2
357.94214	0.7
365.22787	6.2
535.28418	8.2
583.30829	8.6
655.33057	1.5
877.52484	100.0
878.52228	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	877.505
Annotation	Unknow
Peak:m/z	Relative Intensity
86.37936	1.6
88.50004	1.7
140.30727	1.9
148.93582	2.0
149.16705	1.9
190.05463	1.9
278.60590	2.0
488.51962	2.2
877.50342	100.0
878.51721	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	16.4
65.03896	0.9
67.05481	54.2
69.03404	7.6
69.07042	12.0
71.04962	4.8
73.02882	6.0
73.80293	0.9
77.62720	0.9
79.05004	2.1
79.05461	63.9
81.03386	62.3
81.07026	57.2
83.04954	14.7
83.08590	24.7
85.02876	44.5
85.06518	1.8
91.03934	10.1
91.04902	2.0
91.05442	44.7
91.86500	0.9
93.07006	54.2
95.04330	1.4
95.04930	30.3
95.08570	31.0
97.02853	13.2
97.06495	5.2
97.10124	4.3
99.08031	2.2
101.05965	1.0
105.07000	31.5
107.04919	8.1
107.08560	21.0
109.06454	6.8
109.10132	11.6
110.88452	1.0
111.04413	1.6
111.08050	9.2
113.05977	1.2
115.05390	2.0
117.06987	7.1
119.08522	26.1
121.06433	1.2
121.09280	1.3
121.10100	27.2
123.07974	4.1
123.11641	4.3
125.09608	1.6
127.03864	2.2
129.06947	12.1
131.08530	24.9
133.06459	1.5
133.10089	18.8
135.07996	1.0
135.11635	11.6
137.09514	1.6
137.13168	1.1
142.07706	1.7
143.08510	1.2
145.04855	1.8
145.10060	9.2
147.07967	2.1
147.11641	18.0
149.09583	9.2
149.13194	6.5
157.10103	13.9
159.11661	6.9
163.05969	2.4
165.12683	2.0
171.11530	3.9
173.13232	5.1
175.11101	16.9
184.07286	2.1
190.67186	1.0
193.10751	0.9
193.12173	37.6
211.13222	48.3
215.17921	10.3
217.65883	1.0
233.18903	7.8
267.15805	10.0
285.16858	64.1
307.22595	49.8
337.28815	0.9
407.29330	2.0
425.30542	1.4
499.34039	12.2
517.35052	100.0
518.35199	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	17.6
65.03905	2.2
65.46542	1.1
65.73048	1.0
67.05479	64.8
69.03381	5.0
69.07040	15.3
71.04974	2.1
73.02876	6.3
79.05003	1.9
79.05460	43.7
81.03386	51.9
81.07027	54.3
83.04932	5.5
83.08577	6.2
85.02872	35.7
85.78382	1.1
90.46588	1.0
91.03905	12.2
91.05444	94.3
91.07809	1.3
93.06422	2.2
93.07008	65.7
95.04918	7.7
95.08570	53.5
97.02860	13.0
97.06465	1.4
99.04412	1.4
105.06994	21.3
107.04914	1.6
107.08567	25.2
109.06471	2.7
109.10120	31.1
111.08051	1.9
117.06959	9.5
119.08538	100.0
121.06443	6.3
121.10096	16.9
123.07989	1.9
123.11679	2.0
127.03828	1.6
129.06908	4.0
131.08542	11.6
133.10089	6.6
135.08017	2.0
135.11671	10.7
137.09586	34.7
143.08514	1.7
145.10063	7.6
147.07980	10.4
147.11649	5.0
149.13211	7.1
159.11617	2.3
165.09048	30.2
173.13216	5.1
183.10139	7.8
184.07274	5.1
234.04584	1.4
239.12688	8.1
241.74048	1.4
243.20975	3.0
257.13712	37.0
261.22049	13.9
335.25671	64.0
499.33960	15.7
517.35101	97.1
518.35638	2.8
588.61548	1.4
876.46503	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	11.8
61.29231	0.6
65.03891	1.1
67.05480	54.7
69.03400	1.5
69.07039	15.6
71.01326	1.2
71.04961	3.5
73.02875	2.6
79.05459	48.3
81.03372	3.3
81.07020	43.7
83.04952	8.9
83.08582	6.0
85.02886	8.2
85.06504	3.1
90.27617	0.7
91.03928	6.5
91.05442	23.3
91.06011	1.0
93.07006	60.0
95.04931	6.8
95.08567	26.0
97.02835	4.1
97.06506	8.8
97.10117	7.9
99.04394	0.8
105.06993	11.4
107.08556	36.9
109.06517	1.1
109.10121	13.6
111.08057	0.8
117.06991	6.9
119.08531	11.8
121.06395	0.7
121.10094	15.2
123.08077	1.0
123.11672	3.4
125.09551	0.9
127.03870	1.1
131.08505	7.3
133.10089	8.2
135.11646	35.9
137.09596	1.0
143.08485	1.0
143.49669	0.7
145.10069	11.2
147.11635	4.1
149.13202	4.0
153.12686	1.2
159.11655	4.3
161.13203	1.6
163.05949	1.3
163.11115	3.7
163.14676	1.5
173.13190	3.1
181.12189	4.6
184.07294	0.8
187.14877	0.9
199.13240	0.9
243.21025	3.4
253.14301	1.2
255.15800	33.7
256.16290	0.7
261.22018	8.7
275.65125	0.7
306.12540	0.7
312.49664	0.7
317.24368	0.7
335.25677	32.2
423.32336	1.1
441.33469	0.8
497.35919	1.0
515.37115	100.0
516.37201	1.5
533.37909	3.9
703.01221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02614	0.9
61.02906	25.0
66.14368	0.7
67.05484	53.9
69.03394	5.6
69.07041	10.3
71.01305	1.1
71.04974	6.9
71.08646	0.7
73.02880	10.6
79.05464	64.5
81.03385	12.2
81.07027	58.1
83.01316	11.4
83.04945	14.6
83.08587	18.4
83.87743	0.8
85.02879	28.2
85.06511	1.9
91.03919	16.4
91.05448	37.5
92.08738	1.2
93.07008	73.7
95.04935	13.3
95.07953	1.2
95.08570	34.4
96.04433	1.1
97.02861	14.7
97.06473	7.5
97.10114	4.3
99.04414	4.8
99.08064	1.7
105.06998	24.2
107.04919	9.9
107.08559	37.4
109.02840	1.0
109.06492	10.5
109.10126	14.3
111.04424	3.2
111.08054	3.9
115.03850	0.8
115.05386	1.0
117.06979	18.7
119.08545	19.4
121.06471	4.7
121.10101	28.0
123.08015	11.3
123.11673	5.9
125.05949	1.5
125.09643	2.7
127.03878	4.3
128.06255	1.1
129.06958	1.9
130.07727	2.1
131.08517	16.2
133.10089	14.5
135.08006	3.5
135.11647	29.2
137.09586	3.4
143.08546	3.4
145.04901	4.6
145.06470	0.9
145.10086	28.4
147.07957	3.2
147.11623	7.1
149.09647	1.2
149.13222	9.6
151.11122	1.3
153.12724	3.4
155.08501	1.2
157.10048	1.1
159.11632	11.2
161.13205	1.1
163.05968	4.5
163.11115	28.0
164.11537	1.1
169.92216	0.9
173.09592	3.8
173.13197	6.0
175.14618	0.8
181.12190	4.3
183.11586	0.9
184.07251	4.1
187.14752	1.5
189.11211	1.2
191.10660	1.6
205.19582	1.3
209.11635	6.1
209.57085	0.9
215.17891	17.4
227.12720	8.7
231.17528	1.1
233.18970	17.5
239.08899	3.7
271.20377	3.9
283.15298	100.0
284.15625	1.0
305.21048	1.3
307.22586	54.5
308.22830	1.1
335.26123	0.9
345.09387	0.8
401.94446	0.9
405.27621	1.8
423.28708	4.1
441.29471	1.4
459.30954	1.1
497.32608	8.1
515.33490	51.6
516.34332	1.0
533.34460	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	874.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	17.2
65.03918	1.1
67.05479	83.0
68.86784	0.9
69.03409	4.3
69.07043	21.4
71.01331	6.0
71.04967	5.8
71.32700	0.9
73.02881	7.2
79.05457	72.0
81.03375	7.6
81.06544	2.1
81.07024	58.1
83.04960	12.4
83.08582	8.6
85.02872	17.2
85.06518	4.1
91.03909	9.3
91.05437	33.6
93.07006	92.9
94.51491	1.2
95.04923	9.5
95.08566	37.2
96.04483	1.1
97.02856	10.0
97.06489	17.4
97.10137	12.7
99.04430	1.3
99.08034	2.5
105.06999	16.9
107.04879	1.6
107.08559	53.9
109.06509	1.5
109.10105	20.0
111.08067	1.5
117.06250	1.3
117.06969	10.1
117.91170	1.1
119.08535	17.3
121.10087	23.0
123.11620	1.7
127.03885	1.4
131.08490	9.9
133.10094	10.9
135.07948	1.7
135.11644	62.3
135.44101	1.2
136.12013	1.1
137.09586	1.4
145.04878	1.5
145.10069	16.8
147.11649	5.6
149.13216	6.4
153.12703	1.7
159.11607	2.7
161.13222	1.8
163.11131	7.2
163.14796	1.5
170.72858	1.2
173.13177	5.2
181.12112	10.6
184.07251	2.0
187.14761	1.4
208.88635	1.3
243.20966	1.7
253.14328	4.3
255.15810	100.0
261.22083	12.5
290.80533	1.3
335.25708	47.3
335.29791	1.6
336.25888	1.6
357.27402	1.2
373.27463	1.4
390.34857	1.2
423.32297	2.1
441.33417	2.3
497.36176	1.5
515.37103	93.8
533.38013	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	874.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	24.0
64.32705	1.8
65.03912	1.9
67.05119	3.8
67.05479	86.7
69.03417	3.4
69.07027	16.9
71.04960	3.9
73.02888	9.1
73.91581	1.9
79.05460	88.2
81.03392	16.1
81.07024	71.5
83.01312	8.6
83.08588	11.3
85.02864	31.0
86.09678	3.1
91.03938	14.9
91.05443	100.0
92.05801	1.8
93.07008	89.1
94.07346	2.5
95.04942	12.1
95.08571	55.0
95.86736	2.0
97.02839	15.3
97.06497	3.2
99.08060	2.8
105.07006	34.0
107.04912	4.7
107.08558	56.9
109.06484	4.0
109.10123	23.5
111.08017	2.7
115.05412	8.6
117.06976	75.8
119.08530	19.8
121.10101	26.4
123.11673	2.7
127.03849	3.6
129.05380	2.3
129.06976	2.4
131.08531	16.5
133.10112	18.8
135.08015	70.4
135.11612	17.2
137.09557	2.3
143.07027	3.7
145.04900	3.3
145.10094	13.0
147.11650	12.0
149.02319	16.9
149.03319	2.3
149.13229	8.1
151.11157	2.3
157.10126	2.8
159.11609	3.8
161.13202	4.8
163.06068	4.8
163.07518	8.9
171.11653	3.6
173.13190	11.0
177.16216	2.0
181.08542	2.6
181.84164	2.2
183.11679	3.3
184.07248	2.7
187.14888	2.4
193.04903	9.2
199.09657	2.1
226.49400	2.1
243.20897	3.4
255.12177	64.9
259.20657	2.5
261.22012	23.4
299.23605	2.5
317.24570	2.4
333.24048	4.4
335.25723	74.8
335.29727	2.5
405.27292	2.2
497.32294	4.5
515.33472	81.4
533.34222	10.6
608.43231	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	872.5712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.0
65.03924	3.0
66.81510	1.5
67.05480	100.0
67.68871	1.7
68.78926	1.6
68.82559	1.4
69.03393	10.5
69.07042	33.0
71.04967	15.5
73.02895	1.8
73.06503	1.6
79.05460	76.2
81.00043	1.5
81.03390	11.9
81.07030	76.0
83.00663	1.8
83.04945	10.9
83.08582	19.7
84.44665	1.6
85.02869	7.3
85.06505	3.1
91.05444	76.6
92.08677	5.7
93.07009	78.1
95.04926	11.2
95.08571	46.8
97.02848	6.8
97.06475	15.3
97.10139	7.2
99.08060	2.7
105.06998	69.8
107.04921	4.1
107.08556	39.9
109.06479	13.9
109.10118	38.5
111.08054	3.5
117.06965	30.8
119.08542	58.5
121.06459	2.4
121.10110	22.6
123.08015	8.1
123.11662	4.2
125.09618	10.3
127.03867	2.6
128.06168	2.5
129.06989	18.4
131.08511	33.2
133.10074	40.2
135.07956	7.5
135.11624	14.1
137.09596	2.1
139.11081	2.1
141.06956	3.2
143.08507	23.8
144.09274	3.4
145.10097	33.4
147.08070	2.3
147.11636	32.2
149.09579	3.9
149.13193	7.3
151.11137	6.8
155.08475	12.9
157.10088	23.0
159.11632	30.4
161.09604	2.2
161.13193	10.5
163.11131	3.1
167.08554	3.5
169.10069	17.8
171.11597	16.8
173.11823	2.5
173.13185	13.8
175.11153	3.0
175.14731	2.4
181.10054	8.0
183.11609	13.5
185.13139	12.9
187.14740	2.3
195.11565	7.4
197.13161	13.0
199.14766	7.5
209.13211	8.7
211.14772	7.8
213.16289	2.7
219.11586	2.1
223.14798	2.5
227.12743	2.8
229.14191	15.1
237.16473	3.1
239.17827	3.0
241.19403	4.0
257.18909	3.3
259.20511	18.7
267.15692	2.1
269.17279	3.0
275.19986	12.0
333.24121	13.8
335.25937	2.0
349.23578	7.3
400.17502	1.9
435.32642	4.2
453.33606	2.4
487.34036	7.8
505.34717	16.3
509.36279	4.2
513.35559	4.2
515.38556	2.3
527.37122	59.3
607.43585	25.3
625.44354	21.3
639.45563	3.6
653.39984	3.2
671.41168	8.2
689.42896	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	872.571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.9
63.00387	2.6
63.64949	2.6
65.03922	2.9
67.05478	100.0
69.03400	5.4
69.07045	37.8
71.04955	13.3
79.05457	61.3
81.03397	13.5
81.07018	76.9
83.04945	3.6
83.08594	20.1
85.02843	4.5
85.06499	3.5
87.07288	3.3
91.05449	70.4
93.07008	76.1
95.04900	12.4
95.08569	55.2
97.02875	4.6
97.06481	16.6
97.10117	5.5
99.08082	3.3
99.70208	3.6
105.04461	3.3
105.06993	71.7
105.76903	2.7
107.04935	3.9
107.08550	47.4
109.10143	22.2
117.06985	29.5
118.78252	3.1
119.08532	53.2
121.10117	24.3
123.08028	5.1
125.09612	4.3
128.06154	3.8
129.06955	24.3
131.08514	43.0
133.10086	35.8
135.08032	3.9
135.11649	6.4
137.09671	3.3
141.07014	5.3
143.08508	18.7
145.10057	29.1
147.11641	24.9
149.09583	3.5
149.13216	7.3
155.08470	14.6
157.10083	18.7
159.11656	20.3
161.13177	11.5
163.11143	3.3
165.12851	4.0
167.08556	3.8
169.10062	18.1
171.11638	11.1
173.13206	11.6
181.10045	4.6
183.11588	14.2
184.07318	6.3
185.13214	17.6
187.14578	3.3
195.11603	4.7
195.13673	3.5
197.13161	7.0
199.14816	4.7
205.75464	3.0
207.11609	3.6
209.13177	5.0
210.35986	3.1
215.56139	3.1
241.19446	3.2
259.20471	16.1
269.17255	4.1
273.18738	3.6
275.20120	6.4
333.24091	21.9
361.82706	3.0
460.67776	3.3
513.35321	5.1
527.37073	55.7
559.40381	4.0
607.43304	24.9
625.44220	17.0
639.45593	11.8
653.39929	5.8
671.41315	5.7
689.42047	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	870.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	21.0
61.42486	0.8
63.74344	0.9
65.03902	2.4
67.05479	52.4
69.03399	13.7
69.07039	15.4
71.04948	9.1
73.02892	10.1
73.55022	1.1
75.94534	1.3
79.05459	56.2
80.76036	1.1
81.03384	100.0
81.07024	48.6
82.04156	4.5
83.04947	34.4
83.08591	33.4
84.32681	1.2
85.02874	51.2
85.06531	1.8
90.46413	1.1
91.03918	9.4
91.05442	59.2
93.07003	38.0
95.04929	48.1
95.08579	17.3
97.02863	16.5
97.06491	9.9
97.10121	19.6
98.07263	5.9
99.04419	2.4
99.08046	5.9
105.06988	38.1
107.04915	16.1
107.08561	21.2
109.02824	1.8
109.06496	9.5
109.10103	12.4
111.04395	4.4
111.08061	18.6
113.05955	5.6
115.05438	1.3
116.04644	12.6
117.05382	1.1
117.06985	6.9
119.08537	33.4
121.06445	4.7
121.10103	16.7
123.07996	9.1
125.05965	2.1
125.09543	14.8
126.10426	1.3
127.03858	2.8
127.07360	1.2
129.05438	30.5
129.06918	13.6
131.08510	18.9
133.06439	5.2
133.10083	18.9
135.08025	4.8
135.11655	7.3
137.05974	1.5
137.09566	6.7
142.07742	6.7
143.06949	8.2
145.04968	1.9
145.06487	1.3
145.10098	8.3
147.04369	1.7
147.08003	7.3
147.11650	24.3
149.09584	12.8
153.12709	2.7
157.08578	9.7
157.10089	22.0
158.05644	1.2
160.89439	1.2
163.03789	2.6
163.11121	10.1
165.12692	4.8
167.07031	2.7
171.10126	6.6
175.11096	20.5
181.12187	4.7
185.11757	1.7
189.11127	6.6
193.12173	58.3
199.13229	10.1
201.14864	1.5
209.11717	8.5
210.12422	1.8
211.13214	64.6
227.12660	11.3
229.14282	2.1
247.13144	1.9
249.14787	1.3
255.15802	2.3
267.15826	25.4
283.15305	22.0
285.16824	42.7
301.16364	29.1
302.72684	1.3
339.17764	1.9
409.25739	2.3
427.20435	1.1
427.26660	7.9
439.26797	23.6
459.26920	4.5
475.26889	8.1
476.27441	2.1
477.28348	5.7
493.27768	31.4
494.28400	4.6
511.28815	54.3
512.29486	1.4
570.79108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02887	2.9
65.03925	2.6
65.30848	2.3
67.05482	86.7
67.72466	2.3
69.03392	17.8
69.07044	26.0
71.04942	4.9
79.05460	71.8
81.02953	4.0
81.03394	100.0
81.07027	92.9
82.97937	2.4
83.04955	28.0
83.08601	25.3
85.02888	26.5
91.05443	68.1
93.07009	78.2
95.04926	42.3
95.08578	54.1
97.02842	20.6
97.06472	13.4
97.10135	10.1
99.04438	2.9
105.06995	47.1
107.04910	17.3
107.08555	36.5
109.02845	15.4
109.06487	5.2
109.10149	16.6
111.04422	10.8
111.08053	10.8
117.06973	16.7
119.08552	40.0
121.10103	26.8
123.04410	12.7
123.11644	3.4
127.03857	5.7
129.06984	18.4
130.72852	2.4
131.04910	3.4
131.08508	32.1
133.10072	20.7
135.11685	12.8
140.89047	2.2
143.08502	3.0
145.06511	2.6
145.10075	19.2
147.04382	2.9
147.11623	29.9
149.09599	10.7
149.13232	3.5
155.08475	2.9
157.10054	19.8
159.11671	3.8
163.11122	4.8
173.04492	3.3
173.13213	3.5
175.11153	16.3
176.18890	2.5
189.12788	3.2
193.12177	47.4
211.13220	39.8
221.05539	2.7
261.22028	3.0
267.15927	11.9
271.59509	2.6
285.16821	10.9
309.16742	3.2
309.87827	2.9
335.25754	47.9
429.20941	16.3
527.37152	5.3
543.36597	3.8
545.30554	4.4
545.38287	96.6
549.93042	2.8
569.37927	11.1
635.40009	4.1
671.41370	3.3
689.42267	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.9
64.30674	1.9
65.03915	2.7
67.05482	82.7
69.03408	21.8
69.07047	25.0
71.04969	8.2
73.02880	1.9
76.97474	1.8
79.05466	67.9
80.73873	1.9
81.03389	100.0
81.07027	77.9
83.04949	23.9
83.08581	29.4
85.02882	28.6
85.06502	2.7
91.05445	60.9
93.07009	74.9
95.04935	39.2
95.08575	57.0
97.02848	16.8
97.06493	9.8
97.10133	4.0
99.04403	4.4
105.06998	48.9
107.04913	8.0
107.08557	33.5
109.02834	11.7
109.06511	8.6
109.10098	22.0
111.04414	8.8
111.08026	12.8
117.06979	11.8
119.08528	32.8
121.10077	29.8
123.11674	3.2
125.09578	3.6
127.03884	9.8
129.06952	15.1
131.08545	25.4
133.06430	1.9
133.10101	21.8
135.11708	15.2
137.09570	3.3
142.07793	2.5
143.08559	2.8
145.10089	13.0
147.07950	3.5
147.11687	25.3
149.09601	7.6
149.13200	3.7
153.12769	2.4
155.08566	1.9
157.10081	13.0
159.11615	3.7
161.13252	3.8
163.11137	7.6
165.12715	7.4
173.04327	2.3
173.13219	8.6
175.11118	13.1
181.92987	1.9
193.12163	35.9
211.13216	33.0
211.20711	2.2
261.21967	3.4
267.15723	8.2
285.16983	12.3
287.62976	1.9
311.44687	2.0
335.21985	3.2
335.25702	58.6
340.04834	2.1
393.18463	2.2
409.19592	2.5
429.20877	15.3
442.04245	2.4
520.64117	1.9
527.37225	13.6
545.38214	89.3
660.50098	2.6
671.41241	2.3
689.42169	25.2
705.61621	2.2
835.86298	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	7.7
67.05476	22.7
69.07034	8.3
71.04964	2.6
71.08267	1.2
71.08592	11.0
73.02890	2.6
79.05461	12.0
81.03396	1.8
81.07025	26.4
83.04958	6.1
83.08598	1.6
85.02885	6.9
85.06525	1.4
85.10173	5.3
91.03920	1.5
91.05444	20.5
93.07024	9.7
95.04923	2.2
95.08542	10.2
97.02863	2.6
97.06528	1.2
101.41360	1.2
105.07001	21.6
107.08553	17.5
109.06515	2.1
109.10130	41.0
117.07009	1.4
122.93981	1.1
123.11681	8.3
131.79692	1.0
133.10083	44.3
151.11139	24.7
161.09659	2.0
169.12201	5.3
239.26883	1.2
244.15672	1.1
253.14261	100.0
264.23123	1.3
271.15295	16.9
313.27179	20.5
338.27670	1.2
509.38135	32.9
511.15045	1.6
558.31232	1.3
633.13934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	21.2
61.28045	1.3
64.35512	1.3
65.03912	1.5
67.05480	32.7
69.03394	9.7
69.07040	10.5
71.01340	1.7
71.04963	7.6
73.02905	12.8
79.05463	48.0
81.03387	33.8
81.07029	37.6
82.04167	3.5
83.01305	11.0
83.04946	28.6
83.08582	23.2
85.02882	27.3
85.06512	1.7
91.03923	14.5
91.05437	35.8
91.55518	1.8
92.09335	2.2
93.07003	41.8
95.04929	25.0
95.08575	14.4
97.02840	17.7
97.06506	13.1
97.10136	14.5
98.07279	3.8
99.04427	2.8
99.09478	1.6
103.05384	1.9
105.07006	22.3
107.04930	18.9
107.08559	23.5
109.06483	12.0
109.10120	11.2
111.04411	2.9
111.08065	7.3
116.04632	15.8
117.06982	14.9
119.08530	22.4
121.06459	6.7
121.10098	12.5
123.04305	2.3
123.08025	15.0
125.05946	3.2
125.09615	15.3
127.03841	2.9
127.50079	1.6
129.05443	34.0
129.06967	7.4
130.07684	2.3
131.08514	8.8
131.92865	1.4
133.10066	5.9
135.08011	6.4
135.11646	18.7
137.09618	3.1
139.07454	1.9
143.06987	8.8
143.10692	1.9
145.04854	1.6
145.10072	27.5
147.07965	2.1
147.11621	10.5
149.09538	3.3
153.12683	6.6
157.08548	18.0
157.10048	6.3
161.05908	2.0
163.03812	2.4
163.05922	2.7
163.11122	32.5
165.12698	2.1
171.10068	6.4
173.05930	4.0
173.09531	3.2
175.11133	3.7
181.04945	2.8
181.12151	7.0
184.07433	1.7
189.09207	1.8
189.11105	3.1
191.10606	9.0
193.12172	6.8
199.09593	1.9
199.13197	6.3
209.11607	12.0
211.13181	3.3
212.13504	1.8
217.04866	7.6
218.05281	1.8
227.12711	17.4
246.42900	1.6
255.15871	1.9
267.15799	11.9
283.15320	89.1
285.10001	3.2
285.17004	2.6
301.16367	59.8
337.16367	2.5
365.15146	2.1
365.19638	2.6
403.47919	1.7
425.24918	2.3
437.25143	9.5
473.29211	3.3
475.26511	9.6
477.28320	2.1
491.25711	17.0
492.26956	7.7
509.19754	3.2
509.27261	100.0
522.11780	1.8
537.10095	1.9
723.16449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	30.7
69.07040	16.1
71.08609	16.8
79.05473	36.6
81.03384	16.1
81.07034	42.6
83.04948	17.8
83.08592	6.9
85.02873	4.2
85.10150	12.4
91.03910	2.9
91.05441	49.4
93.07023	22.3
95.04935	13.1
95.08574	24.6
97.06509	4.9
99.52534	3.0
105.07005	24.2
107.04913	6.6
108.89534	3.1
109.06496	4.2
109.10114	4.3
117.50432	2.9
119.08535	13.3
129.06976	12.2
131.08557	12.9
132.66789	3.6
133.10138	23.2
147.08116	4.0
147.11641	5.7
148.96967	3.0
157.10089	20.1
175.11131	13.3
184.07390	3.3
193.12212	5.3
219.25406	3.2
224.42743	3.2
256.09460	3.3
267.15814	100.0
271.27206	3.0
313.27274	42.6
394.24615	3.2
505.38727	90.3
523.39795	4.2
864.54535	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	867.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60716	0.3
61.12008	0.3
65.03902	1.6
67.05457	0.7
68.99762	8.7
69.03392	0.3
70.37527	0.3
79.03263	0.3
79.05447	0.8
81.03377	4.0
83.04942	0.8
85.02878	0.7
89.03877	1.6
91.05439	0.6
92.09334	1.3
93.03351	1.3
95.04919	2.6
95.08566	0.4
99.04407	2.0
105.03338	0.5
105.07000	0.4
107.04911	6.2
109.02825	4.7
111.00772	8.4
111.04403	10.3
115.05381	0.5
117.03329	1.7
119.04899	2.1
121.02831	1.8
123.04382	59.8
127.03867	100.0
129.07025	0.5
131.04865	3.4
133.06462	0.6
135.04367	59.5
137.02295	4.8
137.05919	1.4
139.03854	50.0
141.06923	0.7
143.04875	1.9
145.02783	1.5
145.06461	2.1
147.04353	8.3
149.02292	7.7
149.05923	1.9
151.03853	11.1
153.01799	0.5
153.05469	0.4
153.06984	0.4
155.03366	0.4
155.04884	2.0
157.06465	0.7
159.04341	5.9
161.02260	0.5
161.05931	5.2
163.03845	51.8
165.01743	0.5
165.05411	5.6
165.68288	0.4
167.03337	6.8
169.05009	1.3
169.06450	3.2
173.05919	6.3
175.03842	4.2
175.07465	0.4
177.05399	6.6
179.03334	6.9
179.06921	0.6
181.04933	1.3
181.06396	0.8
183.04381	2.6
185.05933	2.4
187.03809	8.7
187.07472	0.5
189.05363	3.5
191.03317	12.1
191.06927	0.5
193.04887	3.6
197.05882	5.8
199.07451	0.4
201.05396	10.3
203.03317	13.3
203.06932	3.0
205.04810	4.0
207.02863	0.8
207.06468	0.9
208.13719	0.4
213.05325	3.6
213.37407	0.4
215.03329	3.4
215.06931	3.9
217.04906	3.1
219.06491	0.8
223.02306	0.9
225.05397	2.0
227.03406	0.8
227.06944	0.6
229.04877	12.0
231.06392	3.1
233.04317	3.5
237.05472	0.8
241.04878	2.5
243.02676	0.7
243.06363	5.7
245.04353	48.6
247.05911	32.3
251.05313	1.5
253.04927	2.0
255.06465	3.5
257.04333	13.5
258.05069	0.8
259.05869	8.4
261.07532	1.9
263.05429	0.7
265.04895	0.8
269.04333	4.6
271.05899	17.9
273.04034	0.5
273.07532	1.7
274.04581	2.9
275.05356	14.0
279.06219	0.6
281.04303	2.0
283.05896	10.0
285.03934	0.8
285.07339	0.8
287.05365	17.6
289.06949	16.9
291.08551	13.7
295.05994	2.4
297.03894	0.7
297.07352	0.6
299.05408	4.7
301.07016	8.4
307.05801	1.7
309.03864	1.7
311.05499	1.3
313.06903	0.7
319.06192	0.5
323.05365	3.1
331.07675	0.7
351.04944	1.8
361.06909	1.7
363.04633	0.5
365.06445	0.9
367.08478	0.4
377.06458	0.8
379.08032	2.6
383.07553	0.9
389.06210	0.9
391.08020	1.8
393.06073	2.0
395.07605	0.7
397.09332	3.3
405.05914	2.2
407.07458	10.2
409.09024	15.4
411.10645	1.7
417.05960	0.5
419.07410	2.6
421.08902	2.2
425.08499	4.8
427.10068	11.9
433.08936	0.9
435.10681	0.5
437.08630	3.5
439.10165	2.0
449.08350	0.7
451.10138	2.3
453.11627	0.8
517.10968	1.6
527.09528	1.5
535.11694	0.6
541.11035	0.5
545.10559	3.2
559.12646	0.5
577.13751	0.5
579.14838	7.2
589.12518	0.4
697.14972	1.5
715.15747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33477	0.8
60.45986	0.7
61.02896	5.6
65.65833	0.9
67.05482	4.5
69.03414	2.1
69.07035	2.0
69.60202	0.8
73.02887	4.2
76.50366	0.8
79.05473	7.1
81.00861	1.0
81.03395	1.3
81.07023	6.8
85.02894	4.1
91.03954	2.2
91.05471	5.2
93.07026	5.8
95.08599	4.7
97.02872	4.1
99.04414	1.2
105.07014	3.8
107.08611	2.1
117.06986	1.1
117.52975	0.9
119.08551	1.8
119.66051	1.1
121.10133	1.8
132.75308	1.0
133.10097	1.8
147.11694	1.4
169.32724	0.9
184.07410	1.4
185.04295	1.2
219.16571	1.0
227.86383	1.1
243.08508	3.7
351.21420	3.4
463.64499	1.0
535.28906	5.2
569.28955	10.2
641.32367	1.3
735.39984	1.2
863.51044	100.0
864.51038	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	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	8.1
61.16674	0.4
62.83206	0.4
67.05484	9.4
69.03411	4.2
69.07037	1.0
71.04970	0.5
73.02878	6.0
79.05453	4.8
81.03394	2.8
81.07036	6.4
83.08591	1.2
85.02881	9.4
91.03925	5.6
91.05469	2.6
92.08745	0.5
93.07000	6.2
95.04935	0.7
95.08582	3.8
97.02852	8.9
99.04445	2.0
101.02351	1.9
107.08594	2.4
109.02888	0.8
109.10117	7.3
119.08537	0.9
121.10124	1.0
127.03918	2.9
131.08560	0.9
146.88614	0.5
166.85820	0.5
173.11667	0.6
185.04175	2.1
203.05276	0.7
229.14343	0.6
243.08276	3.9
251.12558	0.6
261.22119	0.6
301.08917	3.8
314.34363	0.5
315.10446	0.8
335.25656	0.9
373.11115	1.2
379.16110	0.5
385.18262	2.0
413.17709	6.7
434.99792	0.6
519.29010	14.3
578.30017	3.7
591.31293	2.2
662.39740	1.8
691.40070	100.0
692.40405	4.2
719.42694	2.0
747.41992	2.1
772.27777	0.6
781.17651	0.7
861.49298	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	861.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	4.7
67.05482	6.2
67.81220	0.3
68.37263	0.3
69.03404	2.9
69.07030	2.5
71.04971	2.0
73.02889	4.1
79.05463	3.5
79.17294	0.3
81.03405	1.8
81.07028	6.0
83.08597	0.6
85.02882	5.4
87.04428	0.4
89.06170	0.3
91.03933	3.1
91.05459	2.6
92.08691	0.5
93.07006	4.4
95.04942	0.3
95.08567	4.1
97.02847	5.5
99.04427	0.7
101.02351	2.4
105.07023	1.6
107.08533	2.4
109.02874	0.6
109.06461	0.5
109.10134	1.7
111.08100	0.4
115.03925	0.3
117.07014	0.6
119.08566	0.7
121.10127	1.5
127.03895	1.4
131.08551	0.6
133.10109	1.4
135.11696	0.5
149.13254	0.5
175.11412	0.3
185.04271	0.4
198.15965	0.3
203.05295	0.4
206.34105	0.3
243.08289	3.3
279.92206	0.3
314.44388	0.3
335.25766	0.5
365.22897	4.4
413.18066	0.4
421.25583	0.5
485.23123	0.4
511.94064	0.4
519.29065	6.3
583.30835	5.7
686.29156	0.3
861.53015	100.0
862.53210	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	861.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08134	0.8
60.08834	0.6
61.02897	5.8
64.33110	0.6
65.39079	0.6
67.05481	7.8
69.03406	4.0
69.07054	4.0
71.01297	0.6
71.04964	0.7
73.02890	5.6
79.05468	8.6
81.03394	3.4
81.07013	9.3
83.04958	1.3
83.08598	1.0
83.42657	0.8
85.02871	5.9
86.09672	8.7
91.03931	3.4
91.04966	0.6
91.05434	5.4
93.06513	0.7
93.06998	5.6
95.04953	2.7
95.08577	4.0
97.02864	4.5
97.06523	1.0
101.02358	1.6
101.07619	0.6
103.03933	0.8
104.10612	0.7
105.07014	3.6
106.03564	0.6
107.08582	2.7
117.07085	0.8
119.08583	2.6
121.10107	1.0
124.99947	4.8
127.03946	2.6
129.07088	0.9
131.08527	1.2
133.10139	3.3
143.74368	0.7
145.10184	1.0
159.11725	1.2
162.78737	0.8
166.89005	0.6
184.07285	12.0
184.08807	0.9
218.05350	0.8
230.57091	0.7
243.08405	3.7
294.52460	0.7
333.20166	5.5
389.22845	1.2
439.19293	2.6
453.20929	2.8
551.28064	13.2
861.49341	100.0
862.49554	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	859.4789
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02904	2.9
67.05486	6.4
69.03401	3.0
69.07053	2.9
73.02896	5.5
79.05469	8.0
81.03398	2.9
81.07024	9.5
85.02875	5.4
88.52599	1.3
91.05471	5.1
93.07013	7.1
95.08595	5.9
97.02870	2.6
101.02325	1.2
105.06990	5.1
107.08586	2.4
109.06480	1.3
109.10115	1.5
119.08521	1.5
121.10125	1.7
130.77812	1.2
133.10112	1.9
149.17027	1.4
177.64864	1.3
184.07277	2.0
197.64758	1.3
217.04973	2.6
239.96609	1.7
243.08296	2.8
333.20422	1.5
367.10538	1.6
478.73523	1.5
514.25336	1.3
551.28363	7.1
841.46472	6.4
859.47809	100.0
860.48505	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	861.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97685	0.4
60.08146	0.8
61.02906	6.0
61.77247	0.5
67.05481	7.0
69.03408	4.1
69.07044	2.9
71.04970	0.7
71.07375	0.6
73.02896	4.6
79.05456	7.3
80.83035	0.5
81.03386	2.6
81.07016	6.7
83.08575	0.8
83.33536	0.5
85.02876	5.7
86.09682	6.0
91.03957	2.2
91.05445	4.4
93.07009	5.9
95.04933	3.0
95.08584	3.7
97.02869	3.5
97.06493	1.2
101.02367	1.3
105.07004	2.4
107.08578	2.4
109.10139	1.2
114.04596	0.5
117.07016	0.8
119.08530	3.2
121.10118	2.2
124.99960	5.1
127.03831	0.8
131.08492	1.2
133.10167	1.0
135.11646	2.2
137.47269	0.5
145.10114	1.2
164.72211	0.5
173.06004	0.6
184.07288	11.7
243.08438	3.5
333.20334	4.5
389.23123	1.1
439.19379	3.1
453.20865	2.6
551.27997	13.7
861.49298	100.0
862.49622	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	858.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	3.8
66.53629	3.0
67.05480	87.6
69.07052	38.5
71.07333	4.9
79.05467	70.4
81.03364	3.6
81.07033	100.0
83.04940	12.0
83.08585	16.7
85.06516	6.0
86.09679	43.4
91.05440	72.0
93.07008	76.1
95.04942	15.4
95.08575	49.1
97.06525	6.3
97.10104	3.4
104.10748	3.0
105.06992	95.1
107.08560	48.0
109.06429	3.8
109.10134	28.0
111.08085	3.9
117.07002	27.8
118.67558	3.1
119.08519	61.3
121.10105	20.0
122.93800	3.1
123.11660	3.4
124.99137	3.4
124.99948	26.3
128.06180	3.7
129.06958	17.3
131.08539	32.4
133.10068	42.1
135.08020	6.2
135.11635	20.3
141.06920	4.8
142.07770	3.6
143.08557	16.7
145.10072	22.4
147.11678	38.2
149.09599	6.1
149.13181	7.1
155.08452	5.5
157.10078	13.3
159.11636	22.7
161.13203	14.3
162.28310	3.2
163.11147	5.6
169.10031	6.6
171.11652	17.2
173.13232	12.4
175.11212	3.3
175.14760	4.4
181.09953	3.8
183.11664	5.6
184.07277	92.8
185.13242	5.9
199.14758	3.6
218.94324	3.5
241.19440	14.6
259.20319	22.9
269.17407	14.3
275.19958	6.1
333.23969	28.1
349.23602	6.8
367.24454	12.9
426.89185	3.8
435.32254	5.0
515.37354	4.7
527.36951	40.8
545.37952	7.0
607.43500	21.1
625.44336	27.0
818.54956	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	859.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.7
64.32925	0.7
67.05486	10.3
69.03406	3.6
69.07048	4.9
73.02898	3.9
79.05473	7.7
81.03395	4.2
81.07018	8.1
83.08619	3.3
83.75005	0.8
85.02888	4.0
87.42039	0.7
91.03925	1.6
91.05437	7.1
93.07009	8.3
93.76282	0.7
95.04921	1.1
95.08587	5.3
97.02882	3.4
97.06517	0.9
97.10123	1.8
102.49725	0.7
105.07022	4.2
107.08595	3.9
109.02851	1.0
109.10130	2.9
111.85098	0.7
117.07040	1.1
119.08562	3.9
121.10130	1.6
125.09621	1.1
131.08521	0.9
133.10100	1.2
135.11707	1.0
147.11650	0.8
149.09669	0.9
157.10127	0.8
184.07365	3.7
223.13269	0.9
243.08331	3.9
291.19604	4.1
331.18579	1.3
333.20422	1.3
335.25928	1.5
382.79007	0.9
453.21057	1.7
549.26581	6.9
551.28052	6.9
644.46930	1.4
859.47827	100.0
860.47479	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	859.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.7
64.32925	0.7
67.05486	10.3
69.03406	3.6
69.07048	4.9
73.02898	3.9
79.05473	7.7
81.03395	4.2
81.07018	8.1
83.08619	3.3
83.75005	0.8
85.02888	4.0
87.42039	0.7
91.03925	1.6
91.05437	7.1
93.07009	8.3
93.76282	0.7
95.04921	1.1
95.08587	5.3
97.02882	3.4
97.06517	0.9
97.10123	1.8
102.49725	0.7
105.07022	4.2
107.08595	3.9
109.02851	1.0
109.10130	2.9
111.85098	0.7
117.07040	1.1
119.08562	3.9
121.10130	1.6
125.09621	1.1
131.08521	0.9
133.10100	1.2
135.11707	1.0
147.11650	0.8
149.09669	0.9
157.10127	0.8
184.07365	3.7
223.13269	0.9
243.08331	3.9
291.19604	4.1
331.18579	1.3
333.20422	1.3
335.25928	1.5
382.79007	0.9
453.21057	1.7
549.26581	6.9
551.28052	6.9
644.46930	1.4
859.47827	100.0
860.47479	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	858.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	6.9
65.03902	2.1
65.04842	0.5
67.05485	25.1
69.03407	28.0
69.07043	1.3
71.04966	14.9
73.02883	3.9
78.66989	0.5
79.05463	5.1
81.03388	7.1
81.07042	6.2
83.04947	2.6
85.02879	83.4
85.06519	14.6
87.04444	6.4
91.03908	5.0
91.05436	4.3
93.06995	6.9
95.04932	49.8
95.08562	3.9
97.02855	23.0
97.06499	9.9
97.10126	0.7
99.04425	3.2
101.05994	0.7
103.03884	0.8
103.05495	0.6
105.07005	8.4
107.04913	0.8
107.08570	6.4
109.02842	7.8
109.06491	2.3
109.10117	1.2
111.04403	3.3
113.05969	100.0
114.06276	0.9
115.03876	1.0
117.63770	0.5
119.08549	4.4
121.06477	0.9
121.10081	4.6
123.04408	0.8
123.08010	0.7
125.05927	8.5
127.03880	15.7
129.07016	0.7
131.08543	2.8
133.10086	3.7
135.04417	1.3
135.07997	0.7
135.11650	2.8
137.05945	1.2
139.03894	0.9
143.08563	2.5
145.02940	0.6
145.04922	21.4
145.08551	11.3
145.10089	3.5
147.11644	3.3
153.05447	8.0
155.06985	4.1
155.08315	0.6
157.10094	1.4
159.11604	6.2
161.13174	2.3
163.03862	8.0
163.05974	4.3
163.07489	1.0
167.06876	1.9
171.11632	1.0
173.13235	1.1
175.07500	0.9
175.14792	3.2
181.10123	1.3
183.11649	2.2
185.13255	2.7
187.14780	0.9
187.90096	0.5
189.07504	1.4
189.16364	1.1
191.06963	0.7
193.12106	0.7
195.11601	0.9
197.13240	1.2
199.14775	1.3
201.16306	6.6
215.17995	1.1
221.13266	0.7
227.10623	1.0
229.12146	0.9
239.09222	0.8
251.17867	0.6
253.19511	0.6
255.13849	1.2
257.10168	2.9
275.11029	0.7
277.19250	1.1
289.09094	0.7
291.20987	1.1
309.18207	0.7
309.21997	0.8
319.20474	1.3
325.11179	7.9
337.21472	11.8
355.22534	17.0
355.26495	0.9
373.23605	79.4
374.24042	1.4
400.36591	0.6
414.26569	0.9
439.22797	1.0
440.23184	2.3
441.23343	0.9
463.26678	0.8
517.31458	14.8
741.84534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	8.0
67.05479	7.3
69.03410	6.8
69.07042	2.0
69.45818	1.2
71.08587	1.1
73.02894	4.7
79.05457	5.2
81.03409	2.7
81.07038	6.3
85.02872	5.4
91.03957	2.2
91.05458	1.4
93.07019	7.1
93.61495	1.0
95.05013	1.0
95.08616	2.1
97.02854	6.0
101.02357	2.0
107.08579	5.3
109.06356	1.0
109.10133	5.3
119.08596	1.8
121.10098	1.4
127.03799	1.2
135.11662	2.4
145.10179	1.4
169.82841	1.1
185.04315	1.5
277.14520	1.4
301.15411	1.3
320.20239	1.4
347.09491	2.5
357.12741	1.1
405.13791	7.3
439.19196	11.5
497.30841	5.0
601.24719	8.4
659.36310	6.0
857.48407	100.0
858.47900	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.0
65.86346	0.4
67.05469	2.0
69.03395	2.0
69.07033	0.6
71.04958	0.5
71.52153	0.4
75.04444	0.9
77.03873	0.4
78.04662	0.7
79.05453	5.3
81.03385	4.7
81.07024	2.1
82.04178	0.4
83.04929	0.4
85.02862	2.4
89.03885	1.5
91.05441	10.5
93.03366	2.4
93.07014	3.6
95.04936	6.0
95.08553	1.7
97.02827	1.0
97.06486	0.6
103.05429	6.3
105.03362	1.6
105.04460	0.7
105.06978	4.4
106.04129	6.4
107.04927	9.3
107.08559	1.0
109.06500	0.9
109.10119	0.7
110.03615	0.8
110.10473	0.4
111.04395	2.6
114.87145	0.4
115.05386	3.6
117.03291	0.6
117.06985	8.4
118.04086	0.7
119.04904	3.5
119.08529	1.5
120.05701	0.8
121.06451	7.6
121.10116	0.4
122.03552	0.6
123.04385	7.9
124.05162	3.3
125.05934	4.0
128.06067	0.5
129.06952	2.2
131.04874	6.7
131.08482	0.6
133.02818	8.4
133.06441	3.6
134.03587	0.7
135.04361	3.1
135.08017	0.4
135.11600	0.6
135.35831	0.4
136.05159	0.7
137.05936	8.3
138.03030	0.5
139.07484	0.7
140.04619	0.5
141.06961	0.3
143.04880	1.9
144.05666	1.0
145.02824	0.7
145.06445	12.5
147.04387	3.7
147.07980	1.0
148.05199	2.8
149.05946	9.8
149.25352	0.5
151.03882	3.1
151.07487	5.4
152.04648	0.9
153.05426	4.7
153.09055	0.8
154.06163	0.6
155.05971	2.0
155.07059	0.5
156.05611	0.5
157.06477	0.8
158.07208	0.7
159.04359	0.5
159.08018	1.8
160.05145	3.6
161.05920	5.3
163.03835	5.8
163.07477	4.3
165.05443	4.9
165.06766	0.6
166.06215	0.7
167.06976	100.0
168.07294	0.7
171.04321	0.8
171.06480	2.7
172.05190	0.5
173.05925	17.0
175.07483	6.7
175.79691	0.5
176.04636	0.5
176.08310	0.5
177.05418	3.9
177.09038	0.7
178.09810	0.4
179.06966	1.7
180.07738	0.6
181.04890	36.8
181.08484	2.3
183.06514	0.5
185.05901	0.6
187.07478	2.1
188.08289	1.7
189.05420	1.8
189.08998	1.0
190.06197	4.3
191.06955	11.5
193.04944	0.7
193.08545	1.6
198.06728	0.7
199.07492	0.5
201.05411	1.9
202.06120	0.7
203.06956	7.1
205.06764	0.7
205.08553	7.7
207.06424	0.9
209.08009	7.5
215.06996	0.5
216.07735	0.5
217.08568	3.9
219.09988	0.5
220.07130	1.6
227.06802	0.4
229.08496	0.5
233.08049	5.3
235.07466	0.9
235.09599	2.5
241.08604	0.7
243.06216	0.5
247.07368	0.7
247.09613	2.6
253.08582	0.6
254.09096	0.4
255.09996	1.0
259.09662	1.5
265.08411	0.7
267.10052	1.5
268.10501	0.4
269.08099	0.6
278.09406	0.5
279.09958	0.5
281.07980	0.6
285.10098	0.7
287.12729	0.5
293.07889	0.7
295.09418	1.6
307.09262	0.7
315.08890	0.6
323.08920	0.5
325.10706	0.8
327.12134	1.8
329.09998	2.2
330.10767	0.6
339.12183	0.6
355.11731	0.5
357.13074	9.0
372.11877	0.5
385.12637	2.6
387.14218	2.6
415.13348	1.0
416.14462	10.2
417.15271	31.8
565.20496	34.7
566.20221	0.7
577.20337	0.6
595.21301	7.9
606.09283	0.5
607.44458	0.4
643.23480	0.9
761.71417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50236	0.8
61.02898	1.3
63.62067	0.8
64.32713	0.8
65.03902	1.3
65.42231	0.7
67.05483	100.0
69.03408	3.7
69.06680	1.1
69.07042	24.7
71.04680	0.7
71.04971	11.7
71.08598	1.1
77.25895	0.8
77.48065	0.7
79.05463	62.8
81.03384	6.7
81.07028	78.7
83.04942	6.4
83.08597	11.5
85.02861	1.7
85.06507	4.2
91.04896	1.7
91.05451	41.6
91.06022	1.6
93.07011	71.6
93.51078	0.8
95.04939	8.4
95.08572	48.9
97.02857	3.5
97.06493	12.2
97.10129	8.4
99.08047	1.0
102.45882	0.8
105.03326	0.9
105.06998	30.6
107.04912	4.8
107.08559	40.2
109.06488	5.5
109.10120	43.5
111.08045	5.0
113.88425	1.0
117.06977	17.3
119.08537	26.3
121.06467	1.6
121.10104	26.9
123.08004	3.9
123.11702	7.1
125.09572	4.9
127.03915	1.0
129.05411	1.0
129.06949	3.5
131.07555	1.3
131.08528	22.6
133.06477	1.2
133.10089	21.7
135.08038	1.5
135.11641	14.2
137.09566	3.3
138.17786	0.8
143.08517	4.6
145.10085	16.5
147.11650	12.3
149.09564	4.3
149.13242	9.8
151.11166	1.6
155.08533	1.8
155.10619	1.0
157.10083	4.7
159.11639	16.0
161.13185	5.0
163.11163	4.4
163.14816	1.6
165.12726	0.9
169.10034	3.0
171.11661	3.8
173.11662	7.7
173.13222	7.2
175.14799	1.3
177.12718	1.7
185.13239	1.4
187.14767	1.7
191.14259	1.1
195.13751	3.8
197.13268	1.7
199.14638	1.1
219.17389	1.4
227.12715	4.5
229.14235	19.6
243.21017	1.4
257.18912	4.3
259.20352	1.6
261.22061	7.0
267.16003	1.1
269.17490	9.4
275.19952	14.3
300.76840	0.9
334.52002	1.0
335.25705	57.2
349.23553	11.2
377.26599	1.0
381.26175	3.6
413.21622	3.4
448.13483	1.2
489.35602	15.6
507.35901	1.4
511.37573	1.2
529.38727	60.8
569.41943	14.1
609.44904	22.3
627.45502	3.7
641.47754	8.2
673.42560	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	856.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	5.3
62.19950	1.0
65.03934	1.7
67.05480	100.0
69.03419	2.1
69.07045	18.9
71.04967	2.8
73.02908	1.6
73.27239	1.3
76.83486	1.3
79.05456	44.3
81.03397	6.4
81.07025	59.2
83.04939	5.5
83.08585	12.2
85.02863	11.2
85.06501	1.4
87.04449	1.5
91.05444	25.6
93.07007	50.5
95.04941	7.6
95.08572	38.1
97.02875	6.4
97.06470	3.1
97.10124	11.1
105.07004	15.6
107.04900	1.4
107.08557	24.0
109.06477	2.5
109.10123	51.3
111.08052	2.6
117.06976	5.9
119.08556	16.9
121.10098	18.0
121.17326	1.1
123.08071	1.5
123.11651	5.0
125.09586	5.6
127.09244	1.2
131.08513	9.4
133.10123	6.4
135.11639	11.6
137.09534	1.5
145.10098	8.4
147.11626	5.7
149.13222	2.2
159.11644	2.4
161.13257	1.5
163.11209	2.8
173.11699	7.6
173.13269	6.4
199.13260	2.9
209.11696	2.0
227.12610	1.6
229.14313	25.2
238.87756	1.2
243.21159	1.2
261.22049	8.0
263.91690	1.2
301.16370	7.1
317.24918	1.4
335.25671	52.4
399.23721	4.8
477.35547	2.9
489.35590	12.3
561.37567	5.4
579.38452	2.3
659.44861	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	856.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	3.8
64.59220	0.8
65.03915	3.3
67.05482	100.0
69.03399	3.6
69.07041	16.4
71.01329	0.9
71.04966	3.3
72.49351	0.7
73.02892	1.6
74.92594	0.7
79.05460	51.1
81.03384	7.2
81.07027	62.2
83.04956	7.8
83.08598	12.6
85.02873	11.7
85.06506	2.9
87.04430	3.9
91.05447	25.2
93.07011	44.6
95.04918	7.7
95.08573	32.8
97.02839	3.7
97.06500	5.1
97.10124	13.4
105.04440	0.8
105.07011	16.1
107.04921	3.4
107.08565	23.5
109.06480	4.8
109.10123	55.8
111.04425	1.0
111.08064	3.7
117.06979	5.5
119.08537	17.0
121.10104	15.2
123.07996	1.7
123.11684	2.9
125.08796	0.9
125.09586	7.7
129.05440	1.4
129.06982	1.8
131.08537	10.8
133.10092	8.3
135.11659	8.7
137.09520	1.8
143.08606	1.2
145.10080	8.7
145.11060	1.0
147.11653	4.9
149.09544	0.8
149.13235	4.5
153.12706	1.7
155.10565	1.1
159.11664	4.4
161.13184	3.8
163.11154	5.4
173.11703	9.5
173.13222	3.8
181.12259	1.4
187.14864	1.4
193.12228	1.2
199.13278	1.8
209.11629	1.5
227.12735	4.7
229.14290	24.3
243.20966	1.0
261.22064	8.8
267.15964	1.0
301.16418	8.8
317.24353	0.9
327.23380	0.9
335.25674	46.7
336.25867	1.2
399.23627	9.2
477.35339	4.3
489.35516	10.1
543.36694	1.2
561.37518	5.4
579.38538	3.2
627.82208	0.8
659.45190	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	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02888	4.3
65.03915	2.1
67.05479	83.9
69.03411	10.8
69.06674	1.9
69.07038	42.1
69.83346	0.9
71.01327	0.9
71.04954	7.4
71.68180	0.8
73.02871	2.0
79.05460	80.8
81.03384	17.7
81.07021	100.0
83.04948	15.0
83.08591	16.3
85.02896	7.1
85.06510	3.2
87.79847	0.9
91.05441	68.4
93.07005	74.7
95.04926	17.0
95.08563	42.7
97.02850	8.9
97.06493	18.5
97.10140	7.5
99.04424	1.6
99.08054	2.1
105.04499	1.2
105.06997	49.1
107.04933	14.4
107.08556	46.8
107.09291	1.3
109.02847	2.0
109.06477	9.4
109.10116	14.7
111.04388	1.1
111.08047	4.8
113.09598	1.0
115.05411	3.9
116.06191	1.4
117.06977	24.3
119.07731	2.0
119.08537	36.3
121.06465	8.8
121.09275	1.4
121.10096	21.7
123.08020	5.2
123.11634	5.8
125.09575	4.7
127.03812	1.8
127.07428	1.0
128.06149	1.9
129.06989	10.4
130.07742	1.4
131.08514	31.6
133.06400	2.1
133.10088	26.7
135.07999	6.2
135.11647	20.2
137.05951	1.4
137.09560	4.6
141.06967	3.6
142.07704	1.8
143.08516	8.6
145.06523	1.4
145.10086	24.3
147.07993	2.0
147.11627	13.6
149.09566	15.2
149.13173	9.1
151.11145	2.2
155.08461	4.3
157.10007	7.9
159.07976	1.5
159.10353	1.4
159.11623	18.2
161.09581	1.7
161.13229	1.5
163.11121	10.3
165.06744	0.9
165.12680	1.0
167.08398	1.6
169.10037	5.1
171.07985	1.1
171.11623	8.3
173.04402	1.4
173.09482	1.1
173.13226	6.6
175.11165	1.4
177.12709	4.0
179.14268	1.9
181.10101	1.1
181.12187	1.3
183.11615	5.6
185.13208	1.9
189.11095	1.1
195.13708	5.4
197.13185	1.1
218.85583	1.1
227.12642	2.1
229.19398	1.3
239.17886	1.8
247.20459	1.6
255.15807	9.7
257.18921	6.7
267.15720	1.9
269.17355	27.3
273.18314	1.3
275.19922	27.9
293.20923	1.7
297.22168	1.0
321.24231	1.2
340.51840	1.0
349.23642	26.4
367.24478	2.0
435.27066	2.2
445.29361	1.5
449.28769	19.3
463.30313	23.8
515.36908	1.9
525.35327	4.8
529.35126	9.0
543.36633	30.0
544.36792	1.1
547.35620	1.4
556.67194	1.1
561.37689	7.0
584.48706	1.2
620.26959	1.2
623.42529	5.5
641.43835	4.1
647.64392	1.1
801.33978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	85.3
67.27383	5.3
68.68690	5.6
69.07040	27.8
71.04973	6.9
79.05473	72.0
81.03379	11.8
81.07038	100.0
83.08630	7.0
85.02847	8.6
87.04411	5.7
91.05445	74.4
92.09394	26.0
93.07014	72.6
95.04926	8.3
95.08574	50.7
97.06499	11.6
97.10116	8.4
105.07002	68.3
107.04900	7.8
107.08570	46.0
109.06527	8.5
109.10094	11.3
111.08088	7.4
117.06966	46.8
119.08514	48.1
121.10086	14.2
129.06960	9.6
131.08525	24.0
133.10109	33.2
135.11615	10.8
138.34502	5.6
141.06946	6.1
143.08499	10.2
145.10109	35.1
147.11662	24.0
149.09584	5.7
155.08575	7.5
157.10123	21.4
159.11649	24.4
161.13167	7.8
163.11046	7.1
164.58122	6.1
169.10048	9.3
171.11572	23.1
173.13293	6.2
195.11644	7.0
197.13358	6.4
313.27396	9.4
333.24133	23.9
377.03656	7.1
513.35339	23.1
527.36932	22.8
598.04742	7.3
607.43420	23.6
625.44177	13.4
630.66595	6.4
881.60126	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	856.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02892	1.9
65.03908	1.9
67.05480	73.0
69.03410	13.1
69.07041	35.8
71.04966	5.1
73.02887	2.5
79.05004	2.8
79.05461	69.1
81.03379	15.4
81.07024	100.0
83.04547	1.3
83.04945	13.6
83.08583	16.3
85.02875	5.9
85.06502	2.7
91.05445	55.4
93.07007	65.1
95.04923	15.8
95.08568	45.9
97.02852	6.4
97.06490	17.6
97.10136	8.0
97.26587	1.4
99.08055	3.1
105.06987	43.7
107.04916	13.4
107.07878	2.4
107.08555	43.2
109.06469	8.5
109.10155	10.9
111.04409	1.5
111.07998	4.4
113.05844	1.3
115.05510	1.5
117.06976	22.6
119.08541	30.4
121.06467	8.1
121.10082	19.8
123.08044	5.7
123.11677	3.0
125.09582	2.5
127.03889	2.1
128.06223	2.1
129.06950	10.1
130.07744	1.4
131.08530	26.6
133.06482	1.6
133.10075	29.4
135.08002	5.2
135.11662	17.1
137.09547	1.5
141.06966	2.5
143.08502	8.3
145.06425	1.8
145.09071	2.1
145.10066	18.2
147.08020	2.0
147.11627	11.2
149.09541	13.8
149.13225	17.7
151.11108	1.4
155.08487	2.9
157.10066	7.0
159.11630	16.1
161.09627	1.9
161.13144	2.4
163.11115	8.5
167.08482	2.0
169.10005	5.7
171.11653	5.1
173.13222	6.8
175.11075	1.8
177.12666	2.9
179.14241	2.8
183.11653	1.8
184.07303	2.2
185.13235	2.2
187.11024	1.7
189.11134	1.8
195.13734	5.8
197.13252	1.6
199.14693	1.8
227.12758	2.2
231.57747	1.4
247.20566	2.3
255.15788	5.8
257.19000	6.6
269.17374	26.1
275.19937	21.2
291.19598	1.4
349.23657	24.2
367.24451	3.0
413.21091	1.6
449.28702	19.7
463.30347	24.9
525.35651	2.5
529.34985	5.2
543.36694	28.6
561.37225	5.5
607.34369	1.8
623.43225	5.4
641.43707	2.6
687.39740	1.7
856.43555	1.7
857.44989	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50420	3.1
64.33327	3.3
65.03893	4.1
67.05481	93.1
69.03399	15.2
69.07041	49.4
73.02851	3.7
79.05461	73.5
81.03399	20.0
81.07022	100.0
83.04968	16.6
83.08593	22.5
85.02878	6.6
85.06516	4.8
91.05439	85.1
93.07005	79.6
95.04935	21.0
95.08577	45.0
97.02846	16.2
97.06496	19.2
97.10123	19.5
105.06990	68.1
107.04924	18.0
107.08555	47.2
109.06486	13.0
109.10136	34.2
111.04391	5.4
111.08047	8.0
117.06984	29.2
119.08538	42.5
121.06472	13.9
121.10110	18.3
123.08074	7.9
123.11710	4.3
125.09587	14.7
127.03860	4.0
129.07022	6.6
131.08536	22.8
133.06470	6.3
133.10072	41.2
135.08011	4.4
135.11673	7.5
143.08498	16.2
145.10106	26.8
147.08037	3.4
147.11613	6.1
149.09547	6.3
149.13228	4.5
151.11139	14.1
155.08426	3.9
156.09337	3.5
157.10115	5.5
159.11702	14.1
161.09619	4.8
161.13243	5.0
163.11110	8.2
173.13315	4.0
177.12701	4.7
195.13710	4.4
223.13269	20.3
240.16125	4.8
253.14383	16.6
269.17377	13.3
273.18433	17.8
275.19977	15.3
291.19415	94.2
349.23749	5.8
365.23035	39.1
394.17047	4.3
520.29767	6.0
541.34869	3.9
545.34521	21.1
559.36304	68.4
575.84003	4.1
589.90735	4.2
639.41858	17.5
728.80286	3.8
783.69934	4.5
854.45117	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	854.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	2.0
67.05481	64.9
69.03403	14.0
69.07041	54.6
70.94579	1.5
71.04955	2.8
75.53617	1.4
77.03953	1.6
77.09855	1.4
79.05464	65.2
81.03365	11.5
81.07030	60.0
82.85898	1.5
83.04947	8.7
83.08593	19.3
85.02853	3.3
91.05439	48.0
93.07013	49.8
95.04933	16.3
95.08576	31.9
97.02840	11.4
97.06501	11.3
97.10127	21.6
99.04398	1.6
105.06999	44.6
107.04954	14.7
107.08558	36.9
109.06481	9.5
109.10130	13.2
111.08041	3.7
117.06965	20.4
119.04898	2.0
119.08530	26.1
121.06448	2.6
121.10098	10.9
123.08032	7.3
125.09591	10.2
129.06989	3.2
130.07739	2.4
131.08534	20.7
133.06416	6.5
133.10088	16.5
134.07219	2.4
135.08102	5.9
135.11646	10.3
137.09552	3.8
143.08511	7.2
145.06445	3.0
145.10092	14.0
147.08020	8.1
147.11656	10.6
149.09622	12.2
149.13225	6.3
157.10126	3.6
159.11629	9.2
161.09561	3.6
161.13220	2.2
163.11119	6.8
169.10065	2.1
171.11650	3.0
173.13188	2.5
175.11121	3.7
177.12660	3.8
179.14197	1.9
189.11172	3.2
205.12137	2.6
223.13242	24.0
227.12677	7.2
249.14775	3.6
255.15843	1.7
257.19058	2.9
265.59906	1.7
269.17374	11.0
273.18420	11.8
275.19928	12.2
290.77618	1.9
291.19458	100.0
314.36963	1.6
349.23651	12.3
365.23141	36.2
461.28699	1.9
541.35114	2.2
545.34613	14.5
559.36115	46.2
621.41058	2.1
639.42438	26.1
657.43115	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	854.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02605	0.6
61.02909	13.4
65.03909	1.3
67.05484	31.9
69.03412	8.0
69.07041	9.4
71.01341	0.5
71.04976	6.7
73.02626	0.3
73.02898	4.3
76.59252	0.3
79.05465	34.3
81.03390	100.0
81.07028	41.5
82.03732	0.4
83.04954	24.2
83.08592	33.3
85.02881	51.2
85.06512	3.1
87.04454	0.5
91.03929	7.4
91.05451	48.2
93.07011	23.6
95.04934	42.4
95.08571	14.1
96.04451	0.4
97.02853	11.2
97.06496	6.2
97.10134	7.5
98.42067	0.3
99.04427	2.0
99.08080	1.6
105.04486	0.7
105.07000	37.0
107.04934	11.5
107.08562	11.5
109.02871	0.5
109.06496	8.1
109.10132	3.3
111.04411	4.0
111.08054	15.4
111.08828	0.5
113.05962	4.1
115.03960	0.5
115.05418	2.2
117.07006	2.6
119.04868	0.5
119.08544	29.4
121.06467	2.5
121.10104	14.4
123.08021	3.8
123.11673	2.7
125.05959	0.6
125.09573	2.6
127.03886	2.7
127.07539	0.7
128.06204	0.7
129.06967	18.4
131.08528	20.0
133.06474	5.5
133.10094	19.2
135.08026	0.8
135.11635	0.8
137.05977	0.4
137.09554	2.7
139.46745	0.4
142.07736	4.7
143.08521	0.7
145.04900	1.5
145.06403	0.4
145.10104	2.3
147.08005	6.2
147.10472	0.8
147.11647	25.3
147.48015	0.4
149.09570	9.6
151.07468	0.5
151.11142	0.6
157.10080	21.5
157.11389	0.7
163.03889	0.3
163.05988	1.3
163.11165	1.4
165.12680	5.6
173.09558	0.5
173.24529	0.4
175.11131	24.5
183.13893	0.4
193.12190	60.3
194.12639	0.6
209.37851	0.4
211.13237	61.2
212.13646	0.5
232.98120	0.4
249.14891	0.5
267.15829	31.6
285.16867	57.8
286.17157	0.6
349.21286	0.7
367.22653	1.6
385.23572	2.9
403.24673	0.8
433.25797	1.5
441.25864	0.8
459.27267	27.3
477.21295	0.8
477.28314	29.9
495.29379	73.7
496.29688	1.6
518.12701	0.4
621.32294	0.4
639.33551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09628	0.3
67.05489	0.7
69.03390	2.0
69.07032	1.7
71.04967	17.4
73.06522	4.7
78.94094	0.3
79.05454	3.5
80.68462	0.4
81.03381	1.4
81.07026	20.9
83.04948	0.3
85.02875	5.4
87.00787	2.1
91.05432	1.6
93.07010	14.9
95.04950	0.4
95.08578	2.9
97.02843	1.7
97.06493	1.7
100.86085	0.3
105.01844	2.7
105.06992	0.7
107.07887	0.6
107.08562	12.8
109.00842	0.3
109.02836	0.5
109.10136	2.6
119.08544	0.4
127.03873	2.3
128.32545	0.3
135.11647	26.8
135.24501	0.3
145.04927	0.7
153.12700	100.0
154.13048	0.5
163.03851	0.8
167.06953	0.6
204.14348	0.3
211.77225	0.4
217.48294	0.3
328.99210	0.4
389.14856	0.8
419.19052	0.7
436.21600	2.5
737.37762	0.4
744.97992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	12.2
67.05484	39.6
68.87749	0.9
69.03400	1.5
69.07045	16.7
71.01321	2.0
71.04961	1.9
71.08601	19.4
73.02882	4.8
79.05012	1.4
79.05466	35.2
81.03396	5.2
81.07027	25.8
83.04957	7.7
83.08592	10.6
85.02876	14.0
85.06526	1.7
85.10155	13.6
91.03910	8.4
91.05447	12.8
93.07009	40.7
95.04941	3.9
95.08571	23.1
97.02840	5.5
97.06512	10.0
97.10136	13.6
99.04422	1.8
99.08083	1.2
105.06982	3.4
107.04925	0.8
107.08561	29.9
109.10115	11.7
111.08063	1.1
117.06979	4.7
119.08562	6.0
121.06490	1.5
121.10104	5.9
123.11684	3.5
125.09587	3.4
127.03844	1.2
133.10065	3.4
135.11649	49.0
137.09613	1.1
137.97185	1.0
139.35376	0.8
145.04955	1.3
145.10095	11.7
153.12674	1.0
160.55511	0.9
163.11174	7.2
179.72166	0.9
181.12210	8.2
184.05779	1.0
239.23584	1.6
255.15814	100.0
307.43832	0.9
313.27240	54.6
449.17068	1.1
493.38718	98.4
494.39044	1.9
632.92249	1.0
772.17596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	10.4
65.03919	0.6
67.05479	18.2
67.82568	0.4
69.03406	4.7
69.07032	5.9
71.01332	1.0
71.04960	4.7
73.02879	3.0
79.05453	22.9
79.05913	0.7
81.03383	43.0
81.07019	25.1
81.94605	0.4
83.01294	5.0
83.04947	15.8
83.08588	19.1
85.02874	25.7
85.06506	0.9
87.04428	0.5
88.42956	0.4
91.03909	4.5
91.05438	20.7
92.08717	0.8
93.07002	21.5
95.04924	18.3
95.08566	8.3
95.63894	0.4
97.02863	8.5
97.06480	4.6
97.10132	3.7
99.04411	2.7
99.08024	0.5
103.05415	0.5
105.06989	19.1
105.07677	0.7
107.04911	8.2
107.08557	10.9
109.02881	0.7
109.06475	6.3
109.10126	1.9
111.04411	2.7
111.08037	7.5
113.05975	1.0
114.91202	0.4
117.06973	6.4
119.08532	16.7
121.06466	3.0
121.10100	8.6
123.08035	6.3
125.05938	0.6
125.09550	0.8
127.03889	1.8
129.06958	7.9
130.07747	0.9
131.08495	8.6
132.94920	0.5
133.06407	2.0
133.10091	7.3
135.07990	1.1
135.11632	7.1
137.09587	1.9
142.07712	0.7
143.16847	0.5
145.04901	1.7
145.06470	0.7
145.10078	9.2
147.08003	2.8
147.11649	9.1
149.09615	4.3
153.12694	0.9
155.08508	0.9
157.10063	9.3
157.11234	0.8
163.05946	1.1
163.11113	14.1
165.12708	2.8
173.09578	1.0
175.11113	9.6
181.12193	2.2
191.10675	1.7
193.12161	24.8
206.70183	0.5
209.11697	2.7
211.13220	24.1
227.12683	0.5
264.45807	0.5
267.15710	7.1
267.88455	0.5
283.15271	25.6
284.15689	0.7
285.16855	20.9
383.22034	0.8
457.25623	2.4
475.26715	14.5
493.27789	100.0
494.28125	2.4
637.31476	0.6
652.21075	0.5
871.96191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03396	1.6
61.02895	4.3
65.89248	1.6
67.05479	45.1
69.03414	3.4
69.07034	11.0
71.04956	2.3
73.02898	2.2
79.05462	60.7
81.03391	54.1
81.07024	47.4
83.04959	24.4
83.08591	24.1
85.02876	26.9
90.09716	2.0
91.03899	1.8
91.05448	68.7
93.07006	66.0
95.04933	35.2
95.08568	27.7
97.02837	8.0
97.06483	7.6
97.10145	3.8
105.06987	49.8
107.04908	12.1
107.08561	17.7
109.06468	4.2
109.10121	4.7
111.08054	8.7
115.05393	3.3
117.06969	8.5
119.08530	36.8
121.06499	2.6
121.10103	10.4
123.08006	7.7
123.11652	2.1
129.06932	25.9
131.08546	10.9
133.06386	3.7
133.10043	18.6
135.07968	1.8
137.09554	3.2
142.07669	2.3
143.08502	3.3
145.10027	4.7
147.08041	3.3
147.11636	35.9
149.09520	4.6
157.10089	11.6
161.13193	8.8
163.03810	2.1
165.12738	2.5
171.11594	18.1
175.11127	18.1
189.12759	4.3
193.12151	27.5
207.13739	12.6
211.13263	18.0
267.15790	28.7
281.17352	34.8
285.16879	21.7
315.59943	2.5
369.60071	2.2
382.56445	2.6
473.28821	100.0
474.29031	4.5
491.29871	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	12.4
65.03909	0.7
67.05479	18.9
67.98002	0.7
69.03401	5.1
69.07038	5.7
71.01341	0.7
71.04970	6.2
73.02889	4.0
79.05456	29.1
81.03385	48.5
81.07027	26.9
83.01299	5.8
83.04949	19.9
83.08588	22.9
83.84380	0.8
85.02874	30.6
85.06529	1.1
85.79455	0.7
91.03909	6.1
91.05444	25.8
93.07005	26.7
95.04929	18.8
95.08577	11.0
97.02863	7.6
97.06493	4.5
97.10135	3.8
99.04418	3.3
99.08069	0.8
105.06996	19.1
107.04916	9.0
107.08562	14.3
108.09776	0.7
108.59837	0.7
109.06473	7.8
109.10112	3.4
111.04402	3.0
111.08028	8.4
113.05949	1.1
115.05428	0.9
117.06957	5.5
119.08541	18.5
119.09402	0.9
121.06475	3.6
121.10120	9.1
123.04453	0.8
123.08018	8.9
123.11634	1.4
125.05953	0.8
125.09591	1.6
126.46352	0.7
127.03860	1.4
129.06992	8.6
130.07784	0.8
131.04854	1.1
131.08517	10.0
133.06490	1.3
133.10069	8.7
135.08037	1.5
135.11649	9.6
137.09540	2.9
138.50095	0.7
139.07498	0.8
142.07764	1.8
143.08609	1.0
145.10065	11.9
147.07993	3.2
147.11642	11.6
149.09587	6.0
152.57822	0.8
153.12735	0.8
157.10110	8.8
161.05933	1.1
163.05997	1.1
163.11122	16.8
165.01724	1.0
165.12671	1.8
173.06012	0.8
173.09552	3.5
175.11124	8.6
181.12239	0.9
183.02882	1.4
193.12170	24.6
209.11693	3.7
211.13205	24.3
220.71152	0.8
227.12717	1.7
267.15826	8.4
283.15292	31.4
285.16827	21.9
287.05377	7.0
383.22128	1.0
457.25751	2.8
475.26776	15.4
493.27798	100.0
494.28085	2.8
524.68579	0.8
637.30945	0.9
746.67969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04971	3.3
61.02901	11.3
67.05479	12.2
69.03416	4.3
69.07040	3.5
71.01312	0.8
71.04968	5.0
73.02895	4.1
79.05456	20.0
81.03374	13.0
81.07021	16.1
83.01302	12.5
83.04949	12.5
83.08589	12.3
85.02878	17.2
91.03905	5.5
91.05436	12.1
93.07004	28.1
95.04928	10.0
95.08561	8.6
97.02855	9.7
97.06492	6.5
97.10110	2.4
99.04397	4.0
105.07000	10.9
107.04918	10.8
107.08549	15.1
109.02829	0.7
109.06470	7.3
109.10092	1.3
111.04397	2.9
111.08025	0.9
117.06948	9.3
119.08535	10.6
121.06453	4.2
121.10094	10.9
123.04353	1.2
123.08014	11.8
125.05918	2.2
127.03844	2.3
128.05960	0.6
129.06918	1.0
130.07721	1.3
131.04797	0.6
131.08537	4.5
133.10051	1.2
135.04396	0.5
135.08022	2.5
135.11641	13.8
137.09592	1.1
145.04930	0.9
145.06380	0.7
145.10066	21.4
147.07967	0.8
147.11594	0.9
149.09593	1.0
153.12679	3.0
155.08478	2.3
163.05962	1.3
163.11119	31.8
173.09560	3.9
181.12195	4.3
191.10603	2.4
209.11624	7.2
223.94669	0.7
227.12727	2.8
246.41515	0.6
269.12473	0.8
283.15280	100.0
372.46585	0.7
458.76111	0.7
478.63638	0.7
491.26202	66.4
492.26410	0.9
771.74530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	1.1
61.02899	11.0
62.27913	1.1
65.03914	1.3
67.05481	52.5
69.03394	5.8
69.07045	12.8
71.04954	5.7
73.02871	1.5
77.35675	1.2
79.05464	68.0
81.03391	61.3
81.07026	54.0
83.04947	26.2
83.08585	17.5
85.02878	25.7
85.06495	2.5
87.50348	1.1
91.03909	6.1
91.05447	71.2
93.06422	3.0
93.07008	68.1
95.04929	44.8
95.08569	25.9
97.02855	8.0
97.06489	5.4
97.10133	5.5
105.07001	53.0
107.04921	13.2
107.08567	22.1
109.06503	10.2
109.10118	5.9
111.08061	9.3
113.05978	1.7
117.07008	10.9
119.07723	2.2
119.08541	40.3
121.06419	2.4
121.10080	12.4
123.08030	6.6
123.11665	1.6
128.06082	1.2
129.06964	27.0
131.08501	14.7
133.06444	2.2
133.10095	17.7
135.07968	1.6
135.11655	2.5
137.48895	1.2
142.07721	2.3
143.08514	8.3
145.10072	10.6
147.08011	5.2
147.11635	44.1
149.09587	5.0
157.10078	11.5
161.09518	2.4
161.13202	9.0
163.11124	2.2
165.12679	2.1
170.90381	1.3
171.11638	23.6
175.11104	10.1
189.12643	7.3
193.12198	29.7
207.13733	19.2
211.13263	18.4
243.06450	1.5
267.09161	1.6
267.15775	30.4
272.64203	1.2
281.17368	68.4
285.09982	5.1
285.16797	20.4
320.86008	1.3
378.60077	1.3
473.28845	100.0
474.28940	2.9
491.29935	83.2
492.30011	1.8
525.19653	2.3
645.57306	1.5
790.29633	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56060	1.1
65.03921	2.8
67.05472	2.2
70.06569	19.9
71.08637	1.5
79.05475	1.7
81.03384	1.9
81.07014	1.7
83.04930	1.7
86.09673	1.9
88.07597	24.5
93.03429	1.3
102.09153	19.7
121.02828	2.0
147.04405	1.7
149.02301	100.0
149.03342	7.1
175.03891	1.7
184.07387	4.6
193.04898	45.2
237.07486	12.2
256.26263	49.3
341.06418	2.0
383.76392	1.4
385.09119	7.9
574.04742	1.4
577.13202	7.0
621.15735	8.8
785.97150	1.6
806.64612	1.8
850.39661	79.7
851.40802	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	850.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	3.2
59.05247	0.5
61.02904	10.0
61.57528	0.2
65.03876	0.4
65.41946	0.2
67.05479	11.4
69.03408	2.5
69.07042	3.7
71.01340	1.6
71.04963	4.5
73.02883	3.1
73.06476	0.3
79.05460	18.8
81.03384	11.8
81.07024	17.9
83.01310	11.6
83.04949	13.7
83.08078	0.3
83.08588	12.3
85.02872	14.7
85.06485	1.0
91.03423	0.3
91.03923	6.4
91.04918	0.4
91.05441	11.5
93.07005	27.4
95.04928	7.6
95.08566	7.2
96.04405	0.3
97.02301	0.3
97.02859	7.8
97.06485	4.7
97.10124	1.8
98.62910	0.2
99.04411	3.4
99.08032	0.4
101.92583	0.2
103.05406	0.4
105.06295	0.4
105.06991	10.0
107.04211	0.3
107.04913	9.4
107.08560	14.3
109.02805	1.2
109.05735	0.3
109.06477	8.3
109.10122	2.5
111.04403	2.9
111.08043	2.2
111.11643	0.3
115.03809	0.3
115.05433	0.3
117.06982	8.0
119.07751	0.4
119.08534	9.3
121.06452	4.1
121.09283	0.4
121.10101	9.4
123.04380	0.6
123.07195	0.5
123.08022	10.7
125.05956	2.4
125.09585	1.6
127.03838	1.5
129.06978	1.9
130.07721	1.8
131.04866	0.4
131.08527	3.9
133.10081	2.5
135.08006	2.4
135.11644	13.8
137.09601	2.4
139.07440	0.9
143.08475	1.0
145.04939	1.7
145.06380	1.0
145.10078	17.7
147.08011	2.4
147.11665	0.3
149.05870	0.5
149.09503	0.9
151.11119	0.4
153.06850	0.2
153.12682	3.6
155.08475	1.9
158.08194	0.2
163.05969	2.3
163.11116	30.1
173.09540	4.2
181.12175	4.2
191.10606	3.3
209.11667	7.4
227.12744	3.0
236.68959	0.2
255.84047	0.2
273.91849	0.2
283.15289	100.0
284.15579	1.7
285.09882	0.4
473.25192	0.3
491.26221	61.0
492.26810	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	2.5
59.06493	1.1
60.30986	1.2
61.02896	12.4
61.36978	1.2
65.03922	1.8
67.05485	100.0
68.05785	1.2
69.03406	1.4
69.07061	10.1
71.04965	2.9
73.02885	7.1
79.05456	19.6
81.07030	40.4
83.04938	1.5
83.08600	9.0
85.02879	13.9
86.09644	2.2
91.03919	8.4
91.05434	18.3
92.08712	2.1
93.07013	27.5
95.04953	1.9
95.08582	27.4
97.02857	9.3
97.06464	1.4
97.10111	2.7
100.24977	1.3
105.06992	6.4
107.08581	16.2
109.10127	89.4
111.08049	2.9
117.07006	2.6
119.08542	10.8
121.10075	13.2
123.11584	1.4
124.99925	1.7
127.03862	3.1
131.08531	7.6
133.10081	5.6
135.11658	10.3
137.09573	5.1
142.71893	1.3
145.10094	2.8
147.11649	6.0
149.13211	6.9
155.10609	2.1
159.11632	2.5
161.13200	2.0
163.05962	1.5
163.14735	2.5
173.11722	20.3
173.13100	3.9
175.14810	1.7
184.07245	7.4
227.12743	5.1
229.14275	61.9
243.20865	3.2
257.66165	1.5
261.22037	10.2
287.13708	1.5
294.08093	1.7
335.25681	46.2
348.31522	1.4
432.26642	1.4
471.34198	2.3
489.35605	42.6
507.36475	7.8
822.69891	1.5
848.50421	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	847.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	7.1
62.92646	0.7
67.05486	6.8
69.03406	5.1
69.07059	1.5
71.04996	0.7
73.02902	4.8
73.76577	0.8
79.05473	5.7
81.03384	1.1
81.07020	6.0
83.08593	0.9
85.02872	6.3
90.25230	0.7
91.03948	3.3
91.05451	3.5
93.07020	4.5
95.08548	6.1
97.02858	5.6
99.04440	1.0
101.02354	1.7
105.07033	1.4
107.08575	3.1
119.08549	1.2
120.34813	0.7
121.10170	1.1
125.00025	0.7
125.87166	0.8
127.03907	1.7
131.08487	1.2
133.10110	0.9
160.33272	0.8
163.14938	0.8
184.07349	1.6
243.08376	1.8
253.82051	0.9
351.21530	4.1
519.29309	8.2
569.29156	6.4
680.48425	1.0
847.51471	100.0
848.52545	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	848.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50180	0.9
60.55123	0.9
61.02903	2.2
65.03922	1.1
65.20385	0.8
67.05157	1.2
67.05487	23.6
69.07040	6.9
71.04957	1.7
73.02859	1.1
79.05466	47.2
81.03397	9.1
81.07032	28.5
83.01324	4.7
83.04957	12.3
83.08598	7.8
85.02902	5.0
91.03926	2.2
91.05447	28.7
93.07011	43.5
95.04938	14.0
95.08577	16.4
97.02861	1.3
97.06484	4.4
97.10137	1.7
103.05433	1.3
105.07007	25.4
107.04918	7.9
107.08577	11.6
109.06498	6.7
109.10143	1.6
110.86590	0.9
117.06968	5.8
119.08540	13.1
121.06541	2.0
121.10109	5.7
123.08008	5.8
129.06990	9.5
131.08519	1.5
133.10072	5.6
135.11694	4.4
143.08519	5.7
145.10062	11.4
147.08002	1.4
147.11639	15.0
153.12680	1.3
153.91959	1.0
161.09612	1.6
161.13203	4.3
163.03830	1.1
163.11133	13.7
171.11632	13.4
173.09618	1.3
189.12715	4.4
191.10640	1.4
207.13744	9.0
209.11559	1.1
258.53809	1.0
265.14447	1.1
281.14648	1.3
281.17386	33.2
283.15335	24.3
471.27310	8.0
489.28320	100.0
490.28931	2.0
526.94080	1.1
881.06793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71817	0.6
60.08142	8.5
67.05478	0.9
71.07352	3.9
76.41726	0.8
86.09679	44.7
93.21134	0.8
95.08587	1.3
95.69246	0.7
98.98430	4.4
104.10706	1.6
119.69904	0.9
124.99961	30.3
184.07275	100.0
210.91127	0.8
300.13434	0.9
383.79993	0.9
674.43396	1.9
728.48401	1.5
783.67596	0.8
796.54614	1.8
845.49188	1.4
846.48364	5.9
846.59229	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34990	0.4
60.08146	8.3
61.90903	0.4
67.05476	0.7
69.07044	0.5
71.07355	4.3
77.96951	0.4
81.07008	0.4
83.11725	0.4
86.09677	44.0
98.98433	3.7
104.10695	3.7
119.08591	0.4
124.99960	32.0
184.07283	100.0
250.92035	0.5
261.11426	0.4
674.43616	0.7
728.48511	3.6
796.53540	1.9
845.48242	0.8
846.57019	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	845.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	4.1
67.05479	5.4
68.81947	0.4
69.03403	3.1
69.06686	0.4
69.07043	3.1
73.02892	4.2
79.05455	5.5
81.03405	2.4
81.07020	6.1
82.88548	0.5
83.64357	0.4
85.02888	4.4
86.09686	2.1
90.33795	0.4
91.03918	3.4
91.05443	4.6
91.54098	0.4
92.08720	0.8
93.06994	5.1
95.04915	0.4
95.08571	2.8
97.02835	3.7
99.03715	0.5
99.04431	0.7
101.02364	0.7
105.06978	3.9
107.04893	0.5
107.08573	3.0
109.02839	0.5
109.06485	0.4
115.03918	0.5
119.08579	1.9
120.60502	0.5
121.06414	0.5
121.10139	2.1
124.99957	0.6
127.03881	0.7
131.08575	0.7
133.09157	0.5
133.10112	2.0
135.11662	1.9
145.10083	0.7
147.11630	0.9
149.13341	0.6
159.11685	0.8
169.70436	0.5
184.07214	3.7
243.08287	3.8
301.08890	1.0
332.38443	0.5
333.20422	1.0
362.92578	0.5
403.00046	0.5
439.19125	0.8
453.20712	0.9
469.20514	0.5
507.93402	0.6
535.28571	4.0
551.28070	7.6
842.70892	0.6
844.48596	1.0
845.49829	100.0
846.50269	3.7
860.93457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	6.2
67.05478	5.7
69.03411	2.7
69.07056	1.2
71.04964	0.6
73.02879	4.4
79.05465	5.8
80.53577	0.6
81.03403	2.7
81.07015	6.0
83.08605	0.5
85.02887	5.2
85.74654	0.5
86.09697	0.8
91.03930	3.0
91.05445	5.3
93.06992	6.8
95.04924	1.8
95.08571	2.9
97.02849	7.0
99.04475	0.7
101.02364	2.1
105.06972	5.4
107.08578	3.2
109.10169	0.8
117.06983	0.9
119.08574	3.1
121.10133	2.0
127.03879	1.0
131.08516	1.7
133.10124	3.1
135.11707	0.8
143.08557	0.8
145.10127	0.8
147.11691	0.9
166.39677	0.4
184.07346	2.6
185.04242	0.8
222.98734	0.5
225.04796	0.5
243.08333	4.0
243.81197	0.5
301.08975	2.2
319.34491	0.5
333.20215	4.3
439.19281	0.9
465.21127	0.7
516.87933	0.5
535.28589	9.8
551.28052	6.0
623.30060	0.8
721.97809	0.5
728.20239	0.6
771.78143	0.7
844.48865	2.1
845.49866	100.0
846.50452	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	845.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	5.6
61.02898	8.4
67.05479	8.4
69.03411	4.0
69.07047	2.1
71.07348	2.1
71.08639	1.0
73.02889	4.5
79.05468	6.1
81.03388	3.5
81.07034	6.6
83.08614	1.0
85.02890	5.2
86.09673	30.2
87.10028	1.7
91.03933	1.9
91.05466	3.7
93.07021	4.4
95.04951	1.3
95.08582	4.5
97.02865	7.4
97.06500	3.6
98.98448	1.4
101.02341	1.7
104.10728	1.3
105.07072	0.8
107.08584	2.1
109.02832	1.0
109.10165	1.5
113.60334	0.8
117.06984	1.1
118.31539	0.8
119.85476	0.9
121.10113	1.7
124.68371	0.8
124.99960	25.2
125.00865	0.9
127.03830	1.7
131.08508	0.8
135.11606	1.5
139.90236	0.9
184.07277	71.6
185.07693	7.3
346.45535	0.9
349.19739	7.6
439.19290	1.5
519.29095	6.9
567.27527	2.1
585.41376	1.0
657.64111	1.1
845.49878	100.0
846.50555	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	845.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41965	1.6
80.04457	1.7
80.29350	1.7
81.07047	2.1
86.09690	11.2
124.99956	2.7
125.34175	2.0
127.11544	2.0
184.07330	12.5
229.23152	2.0
253.06569	1.9
322.49054	2.0
476.33246	2.0
538.75281	2.6
785.48816	2.8
845.47717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08140	6.1
61.02903	6.7
67.05478	7.2
69.03405	5.2
69.07047	4.1
71.07346	5.8
71.93881	0.8
73.02891	4.8
79.05463	6.5
81.03396	2.1
81.07040	6.3
83.08612	0.9
85.02885	5.5
86.09680	39.5
87.10004	1.9
91.03937	3.7
91.05442	4.7
92.09344	1.8
93.07013	5.8
95.04955	1.1
95.08587	6.9
97.02866	5.2
97.06516	1.9
98.98450	4.2
101.02338	1.6
105.07007	2.4
107.08554	2.0
114.87841	0.9
119.08543	1.4
121.10165	1.5
124.99962	31.1
127.03890	2.1
131.04221	0.9
179.90187	0.9
184.07283	87.4
185.07639	6.3
213.31364	1.1
237.61848	0.9
243.08394	1.3
273.38580	0.9
335.25598	1.2
349.19772	10.3
439.18683	1.3
453.20453	1.2
519.29309	4.7
543.63562	1.1
567.27747	2.1
795.53387	1.2
845.49817	100.0
846.50250	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	843.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.1
64.33012	1.0
67.05486	9.3
67.88872	1.0
69.03419	5.2
69.07037	2.0
73.02884	4.9
79.05477	6.1
81.06628	1.2
81.07008	8.3
85.02896	6.9
86.09692	5.1
86.59990	1.1
91.03959	2.7
91.05438	1.9
92.08701	1.4
93.03876	1.3
93.07047	5.2
95.08606	5.7
97.02876	6.1
101.02383	1.6
105.07006	1.7
107.04939	1.0
107.08598	2.2
109.02899	1.4
109.10172	2.2
109.25267	1.1
119.08560	1.8
121.10156	1.7
124.99976	2.5
151.29297	1.1
155.99271	1.1
184.07256	8.8
230.01045	1.2
237.95847	1.3
243.08347	1.7
340.43005	1.4
347.18335	5.8
384.61285	1.2
519.29468	7.0
565.26794	1.9
596.24182	1.2
609.04950	1.4
643.42572	1.3
746.54382	1.5
843.48444	100.0
844.48615	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	7.9
67.05481	6.5
69.03407	5.7
69.07033	1.9
71.62453	0.9
73.02892	5.0
79.05466	5.0
81.03375	1.5
81.07038	8.8
83.04948	1.3
85.02885	6.6
86.09694	4.6
90.18240	0.9
91.03941	2.3
91.05454	4.3
92.09299	1.1
93.07013	7.4
95.04934	1.9
95.08570	4.3
97.02823	6.6
101.02354	2.0
105.07004	4.0
109.06463	1.5
109.10149	1.8
111.08064	1.0
114.36568	1.1
119.08600	1.0
121.10130	2.0
124.99966	2.2
129.06998	1.3
131.08574	1.7
133.10114	1.1
135.11670	1.4
184.07303	13.1
209.08887	0.9
243.08333	2.3
323.19421	1.0
347.18390	4.8
364.18228	1.1
441.17410	1.7
446.13721	1.1
479.22430	3.8
519.29053	6.8
565.25867	1.9
719.39783	1.4
757.44415	3.8
800.08453	1.1
843.48352	100.0
844.48779	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	844.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07840	0.4
60.08140	9.3
67.05479	3.4
69.07058	0.7
71.07343	4.3
71.50562	0.3
81.07001	1.7
83.08572	0.4
86.09674	45.8
92.09342	1.6
93.07007	0.5
95.08586	0.6
98.98437	5.0
104.10695	3.3
109.10120	0.8
120.92365	0.4
124.99955	32.9
143.01022	0.6
148.10750	0.4
165.80272	0.4
184.07277	100.0
185.07637	0.5
217.22626	0.5
321.91888	0.4
337.27328	0.8
444.89090	0.4
519.29364	0.4
531.40338	0.4
728.47943	2.2
794.53491	2.8
826.54932	0.9
844.55493	4.0
845.49524	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	842.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04966	1.8
60.08142	1.8
61.02894	2.0
65.03902	1.4
67.05479	100.0
69.03401	1.6
69.07039	26.5
71.04958	5.0
71.07327	3.5
79.05457	53.7
81.03373	1.9
81.07024	82.2
82.07367	0.8
83.04938	4.8
83.08586	13.6
85.02862	1.5
85.06506	3.7
86.09674	24.3
91.05442	32.8
93.07006	60.1
95.04935	10.8
95.08564	50.3
97.02840	1.1
97.06506	7.0
97.10122	7.6
98.98418	1.1
104.10703	1.0
105.06996	27.3
107.04891	5.2
107.08556	38.1
109.06475	6.5
109.10120	49.4
109.10876	1.8
111.08022	4.1
117.06970	12.9
119.08527	19.9
121.10101	22.1
123.08000	1.9
123.11667	6.7
124.99957	21.0
125.09562	3.9
129.06918	1.4
131.08531	17.3
133.10072	19.8
135.07985	1.8
135.11642	13.4
137.09592	3.1
137.13214	1.5
143.08521	3.0
145.10068	13.9
147.11646	11.1
149.09593	5.6
149.13194	8.7
155.08560	0.9
155.10657	1.5
157.10057	4.0
159.11621	9.6
161.13199	5.1
163.11067	1.8
163.14754	1.8
165.12727	0.8
169.10034	1.1
171.11621	2.0
173.11674	8.6
173.13222	4.1
175.14728	1.2
177.12688	1.6
183.11519	1.2
183.72379	0.8
184.07274	50.4
187.14752	4.3
189.16222	0.9
195.13739	1.1
199.14749	1.1
201.16255	1.0
203.14352	0.9
215.17790	1.0
227.12732	5.8
229.14252	25.0
239.17825	0.9
243.20950	1.8
257.18924	3.5
261.22104	7.5
267.15878	0.9
269.17307	10.4
273.62326	0.9
275.19952	17.4
293.21069	1.9
317.24570	1.3
331.22208	1.0
335.25665	57.9
349.23648	12.1
367.24539	10.2
489.35574	18.0
499.27203	0.9
507.36282	1.7
529.31268	1.4
529.38727	29.7
529.46454	1.2
569.41724	1.3
609.44897	22.3
627.45862	17.4
748.98895	0.9
842.54932	1.6
843.48596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	6.0
67.05488	7.8
69.03421	4.2
69.07036	5.2
73.02892	4.4
74.02221	0.8
79.05460	7.5
81.03387	4.0
81.07020	7.2
85.02885	4.0
86.09680	4.4
91.03916	1.5
91.05441	4.5
93.07020	6.4
95.04929	1.1
95.08578	4.7
97.02851	4.1
101.02312	1.5
105.06995	4.7
107.08580	4.5
114.66521	0.9
119.08575	3.8
121.10115	1.8
124.99988	4.8
127.03928	0.9
133.10097	4.0
135.11684	1.8
147.11684	1.4
184.07274	13.1
226.91693	1.0
243.08392	1.9
284.77396	1.0
313.30566	1.0
315.19305	4.8
355.45685	1.1
533.27228	6.4
551.27997	7.9
843.48352	100.0
844.48401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	5.4
62.67967	0.6
64.33102	0.6
67.05479	8.5
69.03405	4.5
69.07037	4.8
73.02885	3.9
79.05456	7.7
81.03375	1.3
81.07020	10.3
83.04928	1.3
84.07305	0.7
85.02876	5.3
85.06548	0.8
86.09674	1.5
91.03922	3.2
91.05457	8.1
93.06985	6.0
95.04941	1.4
95.08563	5.2
97.02853	4.9
97.06487	0.9
100.17713	0.7
101.02377	2.9
105.06993	6.4
107.04955	0.9
107.08565	1.7
109.06464	0.7
117.06985	1.8
119.08547	4.3
121.10098	0.8
127.03944	0.8
131.08556	1.7
133.10104	3.2
135.11708	0.9
145.10100	0.9
149.09570	0.7
161.13228	1.0
184.07309	3.4
216.25908	0.7
243.08386	1.8
315.19156	6.0
333.20242	1.6
371.21841	1.2
388.86163	0.8
405.11194	0.8
439.19373	1.3
453.21002	0.9
533.26959	12.0
551.28137	9.7
843.48242	100.0
844.49060	7.0
859.40448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4687
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02921	3.2
64.32771	2.4
66.20634	2.9
67.05479	31.2
69.03407	4.5
69.07014	12.4
71.04939	2.5
79.05460	26.1
81.03401	6.0
81.07038	26.2
83.04938	4.8
83.08574	3.0
85.02848	2.9
86.75132	2.2
90.81933	2.4
91.05441	25.4
92.63331	2.9
93.06986	24.0
95.04926	6.4
95.08585	20.6
97.02853	4.9
97.06473	10.7
105.06978	12.7
107.04974	3.2
107.08543	12.8
109.06489	5.9
109.07309	2.7
109.10109	6.0
117.06978	5.5
119.08552	5.9
121.10117	5.9
131.08501	5.2
133.10081	10.4
143.08472	3.1
145.10074	2.8
145.37814	2.8
224.90324	2.6
243.08231	5.2
335.25705	10.1
336.26068	5.0
341.62933	3.0
431.79462	3.0
507.06009	3.5
533.26849	4.6
549.26538	3.4
841.46771	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80936	0.2
65.03912	0.5
67.05475	1.2
68.34071	0.2
76.58685	0.2
78.04673	0.9
79.05447	1.3
81.03358	0.2
81.07004	0.5
85.02896	0.3
91.05443	1.9
92.08694	0.3
93.03318	0.3
93.06995	0.3
95.04926	1.3
97.02869	0.3
97.36682	0.2
103.05421	1.2
105.03286	0.2
105.07025	0.9
106.04122	1.1
107.04950	1.9
107.08524	0.2
109.06482	0.2
110.03587	0.3
115.05411	1.0
117.06994	3.3
119.04878	1.1
119.08546	0.4
121.06454	1.5
123.04380	4.6
124.05214	1.7
125.05957	0.3
131.04906	0.5
133.06450	0.5
133.10080	0.3
135.04335	0.3
137.05917	4.4
142.02524	0.2
145.06439	6.3
147.04315	1.0
149.05893	1.6
151.03848	1.0
151.07433	1.8
152.04594	1.5
155.05972	1.6
161.05939	0.3
163.03822	1.5
163.07500	0.3
167.06973	100.0
168.07309	0.9
171.06454	0.4
173.05910	11.2
173.07425	0.4
175.07520	0.5
177.05396	0.5
181.04884	13.2
181.08432	1.1
191.07010	0.5
193.08517	1.3
205.08493	2.1
209.08049	0.4
211.09599	0.8
233.08031	3.8
235.09476	1.7
374.40347	0.2
387.14212	3.9
417.15289	36.5
418.15625	1.0
548.18811	0.2
627.23920	1.1
777.29999	0.3
789.30505	0.3
841.37128	0.4
842.38019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04508	5.4
67.05484	100.0
69.03400	6.9
69.07035	31.9
71.05002	6.1
72.93745	8.8
79.05463	67.5
81.07034	67.0
81.13200	5.6
83.08572	6.1
85.02841	9.2
85.06504	6.0
91.05427	62.4
93.07002	86.2
95.04914	11.6
95.08568	59.3
97.06474	6.8
105.06997	73.1
107.04922	10.0
107.08566	61.5
107.86088	5.8
109.06463	9.5
109.10130	14.4
114.39215	7.0
117.06995	33.4
119.08523	77.3
121.10076	25.2
122.91605	6.3
123.07919	9.2
131.08498	47.6
133.10039	63.6
135.11621	13.0
143.08539	10.7
145.10071	27.5
147.11659	14.0
149.09514	7.0
149.13234	7.7
157.10094	13.6
159.11636	26.7
161.13159	9.6
169.10077	7.3
171.11624	8.5
173.13234	8.0
173.85890	6.0
184.07268	9.1
196.29893	6.0
238.95517	6.9
253.02055	6.3
259.20499	10.0
273.18362	8.5
275.19971	6.1
283.06128	9.5
291.19385	12.5
333.24091	7.7
335.25745	12.4
527.36871	22.0
607.43988	7.9
625.43890	41.4
643.45172	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	840.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	7.7
62.97524	1.1
65.03896	2.3
67.05481	100.0
69.03410	9.1
69.07041	39.6
71.04960	3.2
79.05002	3.1
79.05462	98.3
81.03387	12.9
81.07024	99.4
83.04963	13.9
83.08153	1.7
83.08589	16.8
85.02858	6.3
85.06516	2.4
91.05442	98.5
93.07005	91.8
95.04940	17.7
95.08561	54.4
97.02850	7.2
97.06496	12.3
97.10130	5.9
99.08086	1.4
99.72642	1.3
103.05452	1.8
105.04472	2.5
105.06995	97.2
107.04922	10.4
107.08560	50.2
109.02902	1.6
109.06493	8.8
109.10125	18.7
111.08036	5.5
113.09586	1.5
114.35564	1.5
115.05416	5.0
117.06973	40.4
119.08536	64.8
121.06452	2.6
121.10102	33.0
123.08025	5.7
123.11636	5.5
125.09592	2.4
127.03910	2.1
128.06129	5.6
129.06982	23.8
130.07729	2.5
131.08514	52.3
133.10089	47.4
133.11070	3.0
135.08003	5.1
135.11644	19.8
137.09596	2.2
140.53610	1.3
141.06956	6.2
142.07770	2.7
143.08521	24.8
144.09286	2.8
145.06522	1.8
145.10074	36.1
147.08009	3.2
147.11632	34.1
149.09595	9.9
149.13232	11.5
151.11099	1.5
154.07706	1.8
155.08508	12.4
156.09254	2.3
157.10107	21.6
159.11618	28.1
161.09538	2.9
161.13239	12.3
163.11142	7.6
165.12659	1.9
167.08499	4.9
169.10022	11.2
171.07983	1.6
171.11574	19.0
173.13206	13.4
175.11105	1.4
175.14830	5.5
179.08527	2.1
181.10046	8.9
182.10707	1.6
183.11668	10.9
184.07283	5.5
185.13167	13.1
187.11124	2.0
187.14714	4.9
193.54955	1.5
195.11649	6.6
197.13240	8.6
199.11064	1.5
199.14781	8.1
201.16446	2.1
205.10136	1.4
207.11588	1.8
209.13158	7.3
211.14740	5.2
213.16373	2.4
221.13234	1.8
225.16321	2.4
235.14824	2.5
239.03047	1.6
239.17802	2.6
241.19431	12.9
243.21121	1.6
249.16403	1.7
255.15807	6.5
257.18884	4.9
259.20456	28.0
269.17242	9.6
273.18436	2.5
275.19998	12.8
315.23068	2.6
333.24191	29.6
335.25723	3.1
349.23596	6.4
424.27655	1.7
435.32169	6.4
453.33435	2.0
513.35547	17.0
515.37720	3.2
525.35638	1.6
527.37097	37.8
531.36957	2.2
545.38092	2.8
607.43292	25.8
625.44354	22.3
643.45154	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.6
64.33242	1.7
64.98183	2.0
65.03899	2.8
67.05482	100.0
69.03413	19.7
69.07047	53.9
71.04964	22.4
72.83283	1.7
73.02881	2.0
76.89532	1.9
79.05466	93.4
80.05801	1.8
81.03394	22.0
81.07027	96.1
83.04953	18.6
83.08604	15.0
84.03440	1.7
84.05273	1.7
85.02866	7.7
85.06509	3.1
88.05087	1.5
91.05443	56.6
93.07010	73.6
95.04922	22.8
95.08569	56.8
96.08955	1.7
97.02850	11.7
97.06494	67.4
97.10130	7.9
99.04390	2.2
99.08068	2.6
104.22333	1.8
104.36267	1.8
105.07001	43.2
107.04917	12.3
107.08554	41.7
109.02853	3.0
109.06495	24.3
109.10127	18.8
111.04411	2.0
111.08034	2.6
113.94781	2.0
115.07526	13.1
117.06993	19.5
119.08552	26.1
121.06453	9.6
121.10087	23.2
123.08002	3.8
123.11714	2.5
125.28315	2.1
127.03815	3.1
128.06183	2.4
129.06964	8.8
131.08490	29.2
133.10101	23.5
135.08006	11.3
135.11650	9.9
141.06917	2.3
143.08542	7.8
145.10104	15.9
147.08009	3.5
147.11636	3.9
149.09618	2.8
149.13174	7.5
153.65195	1.8
155.08464	2.5
157.10069	7.7
159.11639	12.9
161.09563	4.6
161.13159	2.5
163.11096	3.5
171.11644	3.6
173.13232	3.8
175.11096	3.4
176.15164	2.0
177.12746	2.8
185.13289	2.4
217.15762	4.6
261.22009	4.2
269.17377	9.2
273.18420	12.6
291.19479	9.3
325.96817	2.1
335.21933	3.2
335.25717	58.3
336.26300	2.7
347.21997	3.1
365.22964	3.8
368.76270	2.7
529.38635	23.3
557.37598	2.3
607.43268	7.3
625.44189	19.8
643.45099	4.5
726.57135	2.4
758.17322	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	3.9
62.67371	3.0
67.05479	85.2
69.03387	3.9
69.07039	35.7
71.04949	4.4
73.03953	2.9
74.65414	3.1
78.20959	3.2
79.05460	85.9
81.03381	6.8
81.07023	100.0
83.04957	6.7
83.08588	13.6
85.02847	5.9
85.06477	6.5
86.09666	7.4
86.29568	3.3
91.05439	88.3
93.07009	81.0
95.04916	19.0
95.08564	58.3
96.68011	3.0
97.06490	4.7
97.10126	5.3
105.06991	87.7
107.04943	4.3
107.08547	43.5
109.06506	5.2
109.10116	19.5
117.06950	33.1
119.08537	66.6
121.06440	3.9
121.10116	26.4
123.08010	5.0
124.99952	5.4
128.06281	5.3
129.06969	15.0
131.08514	44.8
133.10077	44.1
135.08043	5.3
135.11632	14.0
137.09520	4.0
141.06926	4.4
142.07756	5.1
143.08505	21.7
145.10077	27.6
147.11639	33.6
149.09532	5.7
149.13220	8.3
155.08495	14.5
157.10074	8.4
159.11650	27.5
161.13225	15.0
163.11093	6.5
169.10039	8.6
171.11604	7.2
173.13164	6.5
175.14787	4.7
181.10159	3.9
183.11646	8.4
184.07323	7.0
185.13191	13.8
197.13202	3.5
199.14749	5.3
241.19438	7.0
257.18811	3.9
259.20407	29.0
275.19943	6.7
295.37253	3.7
333.23975	21.4
349.23807	7.0
513.35724	6.0
527.36798	17.3
531.36731	4.7
545.38330	4.6
555.99103	4.5
587.93793	3.7
607.42822	17.2
625.43799	19.9
763.24231	4.1
843.79108	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	838.5656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68973	6.7
63.45812	6.6
66.93635	6.8
67.05481	100.0
69.07036	35.2
71.04969	15.3
79.05077	8.6
79.05450	75.2
81.07029	96.9
83.08599	10.4
86.09686	6.8
87.92484	7.0
91.05462	37.0
93.06999	75.7
94.45725	7.6
95.08596	57.5
97.06476	8.3
105.06999	52.3
107.08548	38.3
109.10124	41.2
115.19180	7.7
119.08565	36.0
121.10124	40.4
122.99625	8.9
131.08522	34.9
133.10054	33.1
135.11694	16.9
145.10054	18.5
159.11658	12.7
161.13287	10.0
215.46225	7.8
335.25659	53.7
349.23691	9.7
515.36981	12.8
529.38605	84.8
572.26520	9.5
609.45087	14.0
777.91382	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	840.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50032	1.7
61.02897	5.6
65.03915	2.2
67.05482	100.0
69.03414	13.6
69.07046	61.2
71.04964	21.0
73.02889	7.7
78.04766	1.2
79.05006	2.9
79.05466	87.0
81.03391	25.4
81.06548	3.2
81.07028	93.3
81.52354	1.3
83.04955	13.5
83.08592	14.0
85.02883	7.7
85.06528	3.0
86.09663	2.2
91.05446	68.1
91.06023	2.3
92.09303	5.9
93.07006	86.3
95.04920	21.1
95.08577	57.3
97.02879	11.3
97.06496	78.5
97.10138	7.9
99.04456	1.8
99.08069	2.5
101.86251	1.5
105.07005	43.5
107.04910	13.4
107.08568	38.9
109.02853	1.9
109.06498	22.2
109.10122	20.6
111.04414	1.8
111.08065	6.7
115.07530	14.4
117.06966	21.0
119.08544	28.8
121.06489	6.6
121.10107	26.8
123.04340	1.4
123.08015	5.6
123.11637	3.2
124.99906	1.5
125.09531	3.2
127.03864	6.3
129.06961	11.0
131.08527	25.1
133.06447	6.9
133.10086	20.1
135.08026	9.8
135.11665	17.1
139.11093	1.6
141.07010	1.7
142.07722	1.7
143.08554	10.8
145.06422	2.4
145.10117	17.0
147.07990	6.6
147.11655	9.2
149.09605	6.3
149.13214	10.3
149.18114	1.8
157.10078	9.1
159.11655	13.3
161.09590	6.9
161.13210	6.0
163.11130	1.8
165.08936	1.5
167.08466	1.6
169.10089	2.2
171.11621	2.5
173.04399	2.5
173.13200	5.9
175.11198	5.5
177.12743	3.5
179.08463	1.6
184.07280	3.1
185.13243	1.9
197.13245	2.1
213.44254	1.5
217.15868	5.7
227.17993	1.7
245.18990	1.6
253.14079	1.7
254.80939	1.7
255.17496	1.5
261.21982	3.0
267.15863	3.4
269.17462	9.1
273.18381	19.3
275.20108	2.1
291.19440	12.4
329.21121	1.8
335.25674	59.4
336.26193	1.9
347.22098	6.1
362.56516	1.4
365.23099	8.9
383.24249	1.6
527.37164	2.4
529.38733	24.8
607.42877	6.5
625.44397	17.6
643.45209	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	836.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19588	4.9
67.05487	76.5
69.07048	34.6
79.05462	73.6
81.03384	11.8
81.07024	96.5
83.08592	7.6
86.09682	7.7
91.05441	90.9
92.62369	6.1
93.07018	64.6
95.04943	12.2
95.08579	42.3
97.06483	23.9
105.07001	100.0
107.04926	34.3
107.08569	35.4
109.10117	42.4
117.07010	11.6
119.08543	47.8
121.06431	9.1
121.10101	10.5
131.08559	33.1
133.10078	78.3
135.11618	8.1
145.10095	10.2
147.11610	12.3
148.73683	7.2
149.09669	7.6
151.11156	11.6
163.11118	7.4
164.17632	6.8
177.72008	6.7
184.07295	11.0
253.14328	43.6
256.43121	6.6
273.18286	11.2
275.19995	38.4
347.21841	7.2
349.23596	27.1
365.23334	26.2
621.41058	22.6
639.41919	98.9
836.52417	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	837.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	1.2
61.02895	0.8
63.75649	0.4
64.65227	0.5
65.03911	0.6
67.05477	13.1
69.03397	4.2
69.07044	14.2
71.04967	14.5
72.81979	0.4
73.06506	0.7
79.05459	17.2
81.03390	1.0
81.07025	100.0
82.07361	0.8
83.04948	0.9
83.08585	5.8
85.02869	8.1
85.06511	2.0
91.05446	10.0
92.08797	1.0
93.07008	40.2
95.04948	1.9
95.08569	43.3
97.02856	2.1
97.06480	3.3
97.10114	3.4
99.08066	4.0
105.06998	37.0
105.12086	0.5
107.08559	65.2
108.08929	0.7
109.02830	0.5
109.06470	2.4
109.10122	41.6
111.08048	1.9
111.11652	1.7
113.09623	2.3
117.07004	1.0
119.08540	53.3
121.10104	14.1
123.04341	0.6
123.08006	0.7
123.11668	20.0
125.09597	5.9
127.03872	1.1
127.11148	18.7
127.12039	0.8
128.44044	0.5
131.08565	2.8
133.10089	33.5
135.11646	87.1
136.11926	0.7
137.09601	2.1
137.13211	5.2
139.11163	1.0
140.59979	0.5
143.10623	18.2
145.04964	1.1
145.10103	4.6
147.11642	29.7
149.13226	7.4
151.11176	2.1
153.12724	2.7
157.10069	1.1
159.11652	4.5
160.12424	1.1
161.13200	14.7
163.03818	0.6
163.14752	4.7
165.12709	0.9
173.13248	0.6
175.14795	2.1
177.16396	2.3
183.11586	0.8
193.19482	0.9
203.17883	56.8
204.18399	0.5
205.19611	1.0
215.17986	0.5
221.18932	64.1
222.19232	0.9
223.20543	0.9
239.19930	7.0
257.21082	0.9
287.14728	0.8
347.22110	0.7
365.23209	0.7
383.24170	2.5
401.25903	0.5
409.10031	0.5
714.33313	0.5
761.13129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65932	2.4
65.03905	4.3
67.05481	75.0
69.07048	28.3
71.04941	5.2
79.05459	70.2
79.89798	3.7
81.03378	12.1
81.07025	100.0
83.04939	13.7
83.08585	6.9
85.06522	6.6
86.96715	3.3
91.05441	55.5
93.07007	60.0
95.04911	20.8
95.08569	52.2
97.06498	31.8
97.10141	17.9
105.06999	29.6
107.04909	18.9
107.08568	34.8
109.06481	34.2
109.10097	17.3
113.05901	3.4
117.06982	20.5
119.08511	27.9
121.02823	13.2
121.06442	14.6
121.10127	28.8
123.04381	3.9
123.08029	14.9
123.11617	3.7
125.05899	5.5
125.09513	3.4
129.06967	5.9
131.08490	26.0
133.06407	6.2
133.10074	15.6
135.08025	13.3
135.11617	6.4
143.08516	3.8
144.04120	3.3
145.06451	4.3
145.10042	18.8
147.11652	13.7
149.09576	6.9
159.07996	27.4
163.07489	13.3
173.13228	4.7
184.07278	5.5
189.11147	3.4
233.15300	18.1
261.18378	4.3
271.16754	14.1
289.17984	34.1
307.18835	4.7
335.25723	74.6
363.21506	23.3
381.22556	20.6
623.42896	28.2
623.51447	4.0
641.44031	48.4
642.43872	3.5
643.45587	3.8
659.44818	3.8
683.01001	3.8
756.76239	4.0
776.02271	4.2
781.44153	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	836.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	1.8
60.14817	1.4
61.02888	11.4
67.05481	35.9
69.03395	3.3
69.07058	9.6
71.04963	3.0
73.02892	5.6
79.05460	28.3
81.03384	28.0
81.07021	48.3
83.01308	6.3
83.04948	11.9
83.08588	15.7
85.02877	18.8
85.06529	2.2
91.03911	8.5
91.05449	21.2
93.07007	36.4
95.04933	15.9
95.08580	14.8
97.02847	8.6
97.06493	9.5
97.10133	2.3
99.04386	1.3
101.79016	1.2
105.06976	13.0
107.04928	7.6
107.08559	19.5
109.06473	6.1
109.10111	2.6
111.04432	1.8
111.08049	3.0
117.06980	8.9
119.08529	7.2
121.06416	1.7
121.10118	11.5
123.07993	6.1
125.09570	1.4
127.03894	1.3
129.06956	3.0
131.08519	10.5
133.06422	1.3
133.10072	9.2
135.08028	2.0
135.11665	10.7
137.09515	1.5
145.04955	1.8
145.10088	12.4
147.11630	4.9
149.13213	7.8
150.37500	1.4
151.11198	2.0
153.01804	1.5
153.12662	1.6
157.10025	2.4
159.11603	2.6
163.03841	7.9
163.11115	15.1
173.09546	2.3
177.12718	1.6
193.12170	5.6
195.13797	6.7
209.11658	2.6
227.12651	1.5
229.14015	1.3
267.15796	18.1
269.17380	14.7
273.14938	1.4
283.15332	23.9
373.13446	1.7
373.26099	1.5
433.25662	2.1
459.27124	11.3
477.28317	100.0
508.81436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59872	10.7
67.05477	22.4
68.11533	10.2
79.05479	16.2
81.07035	12.5
91.05427	27.5
93.07024	17.2
94.06558	11.9
95.08600	13.7
107.08552	20.3
110.09593	10.9
118.05497	10.7
121.10085	14.2
136.25481	10.8
170.02963	11.0
670.50372	100.0
832.55804	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	834.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29300	3.3
60.57460	3.0
63.26117	3.1
67.05479	83.8
69.03406	6.8
69.07053	25.3
70.41822	3.6
71.08607	46.0
79.05453	48.3
81.03396	4.5
81.07021	82.5
83.04974	4.3
83.08603	21.6
85.02934	4.6
85.10175	24.1
91.05479	24.5
93.07014	54.9
95.04958	4.8
95.08575	82.8
97.10158	7.5
105.06989	18.6
107.08579	26.7
109.02866	6.0
109.10117	34.9
117.06988	6.2
119.08571	8.8
121.10126	21.1
123.11703	5.7
128.79535	3.6
131.08566	15.8
131.92088	4.0
133.10106	6.9
135.11652	15.4
139.06157	4.0
145.10223	4.3
147.11636	5.9
149.13255	6.0
159.11664	6.5
173.13315	5.1
239.23685	5.9
243.20961	9.6
250.59445	4.4
261.21988	29.6
313.27231	100.0
335.25711	72.6
528.57495	4.4
539.28424	9.4
561.27136	9.1
573.48633	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	4.0
67.05481	9.5
69.03407	2.0
69.07043	3.7
71.01334	0.7
73.02896	1.9
74.91869	0.8
79.05463	4.7
81.07016	8.9
83.08612	4.6
85.02885	4.8
86.09692	0.9
88.71366	0.9
91.03923	1.6
91.05454	3.1
93.06994	6.2
95.08574	5.6
96.80891	0.9
97.02887	4.3
97.10146	5.7
98.02473	0.7
99.63548	1.0
99.73035	0.8
105.06956	1.4
107.08587	4.2
109.02852	1.2
109.10140	3.6
111.54662	0.9
111.63595	0.9
119.08575	1.8
121.10112	2.0
125.09621	4.1
127.03870	1.2
130.56543	1.0
131.08516	1.0
135.11644	1.6
147.11717	1.1
184.07307	1.2
189.11203	1.1
218.95992	1.0
235.20502	1.2
243.08363	3.4
276.89841	1.1
333.20590	5.3
389.22757	1.6
487.41394	1.4
505.42542	1.8
519.29346	4.8
531.93219	1.2
551.28052	7.5
657.46808	4.1
829.50348	100.0
830.50366	1.5
856.87183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	4.3
66.57502	0.5
67.05486	7.7
69.03413	3.8
69.07047	4.0
73.02888	4.9
79.05473	4.0
81.03378	1.1
81.07030	7.4
81.42566	0.5
82.18941	0.5
83.08602	1.2
85.02866	6.1
86.09682	0.7
88.52840	0.5
91.03950	3.0
91.05447	3.3
93.07001	5.7
95.08559	5.8
97.02814	5.3
97.06485	0.9
97.10133	1.4
99.04387	0.5
101.02345	1.1
103.03870	0.7
105.07017	2.4
107.08604	2.9
109.10126	3.3
119.08561	1.1
119.90927	0.6
121.10117	1.2
123.08092	0.7
125.82685	0.7
127.03903	1.4
133.10126	0.9
134.72934	0.5
146.53607	0.6
147.11673	1.2
161.13272	0.9
184.07364	3.8
185.04214	1.0
193.19429	0.6
195.00278	1.1
203.26186	0.6
243.08475	2.6
333.20316	7.2
505.42477	2.4
519.29077	6.4
551.28363	6.9
566.77441	0.7
599.71796	0.7
625.89923	0.6
657.46765	3.4
828.49261	1.0
829.50354	100.0
830.50739	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	829.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	5.3
67.05485	6.3
69.03405	3.3
69.07046	1.4
69.47689	0.6
73.02902	4.6
79.05463	4.1
79.42325	0.7
81.03399	1.3
81.07035	6.2
85.02862	5.2
86.09714	0.8
91.03939	1.8
91.05435	2.9
93.07013	4.8
95.04939	0.9
95.08578	4.7
97.02854	3.9
99.04414	0.7
101.02348	1.4
103.05455	0.7
105.06998	1.4
107.08561	1.1
109.10127	0.7
117.06948	0.7
118.07082	0.7
119.08532	1.5
121.10098	0.9
123.76723	0.7
127.03869	0.9
131.08502	0.7
133.10115	0.9
135.11604	0.9
164.51294	0.8
168.02763	0.7
184.07263	1.5
233.16524	0.7
237.27937	0.8
243.08582	1.7
283.67462	0.7
333.20291	1.7
377.78421	0.9
379.68842	0.7
465.21167	0.8
519.29126	5.8
551.28046	3.5
551.72614	0.8
555.05035	0.8
557.41821	0.8
598.90326	0.8
644.18445	0.8
657.47089	1.2
829.50397	100.0
830.50696	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	829.505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	5.2
67.05482	5.6
69.03395	3.5
69.07053	1.3
71.01294	0.4
71.04968	0.5
73.02894	4.5
79.05462	4.5
81.03405	2.2
81.07026	5.9
83.08600	0.4
85.02863	5.5
87.04498	0.5
90.33965	0.3
91.03448	0.4
91.03913	3.5
91.05439	3.1
93.07013	4.3
95.04953	0.8
95.08572	3.5
97.02853	4.6
99.04456	0.7
101.02348	1.6
105.07006	2.3
107.08582	2.4
109.10147	1.7
115.03938	0.4
119.08553	1.6
121.10116	1.5
123.11613	0.4
127.03902	1.6
131.08539	0.6
133.10081	0.4
135.11687	0.6
145.10095	0.7
151.68942	0.3
177.58582	0.4
184.07391	0.4
185.04210	0.5
187.14899	0.3
237.70612	0.4
243.08157	2.3
333.16904	0.3
333.20221	2.9
348.07919	0.3
439.19550	0.6
453.21014	0.7
519.29224	5.8
551.28027	5.1
657.47363	0.6
829.50403	100.0
830.50983	2.9
832.14984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21083	0.3
60.08117	0.4
61.02900	5.8
67.05482	5.9
69.03408	2.5
69.07043	1.8
71.04967	0.8
73.02882	4.5
79.05464	8.0
79.05915	0.4
81.03393	1.5
81.07023	4.8
85.02879	5.6
86.09685	2.4
87.04432	0.4
88.00684	0.3
91.03922	2.9
91.05437	7.3
93.07005	8.5
93.80764	0.3
95.04951	1.6
95.08565	3.8
97.02859	4.1
97.06503	0.5
97.10112	0.4
99.04424	0.6
101.02324	2.4
105.06998	5.2
107.02715	0.3
107.08568	3.7
109.02850	0.7
109.06467	0.3
109.10126	0.6
117.07009	1.3
119.08527	3.4
121.10084	2.8
123.08076	0.4
124.99980	1.6
127.03888	1.8
129.05472	0.6
129.07004	0.6
131.08578	1.6
133.10088	2.6
135.10693	0.3
135.11671	1.7
141.07005	0.4
143.08572	0.7
145.10100	1.7
147.11639	2.4
149.13220	1.3
159.11646	0.7
161.13223	1.2
171.11627	0.5
184.07260	5.0
185.04196	1.9
241.06886	0.5
243.08328	3.4
259.20450	0.6
301.09018	1.9
313.08829	0.4
315.10687	1.3
317.20844	1.8
335.25735	0.5
373.11057	0.5
415.24429	0.3
465.20499	2.2
495.21527	0.4
501.35565	0.4
502.36362	0.6
525.22516	1.1
535.28638	14.2
607.31085	1.5
691.39771	0.4
829.50421	100.0
830.50690	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	828.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	3.6
67.05487	1.5
69.03400	1.4
78.04684	1.0
79.05461	3.9
81.03377	5.1
81.07046	1.6
85.02874	1.9
85.83020	0.8
89.03893	1.1
91.05435	12.2
93.06998	3.8
95.04942	4.3
96.37694	0.8
97.06470	1.3
103.05430	10.7
105.06997	4.7
106.04176	0.9
107.04926	12.6
109.06509	1.2
111.04436	1.9
115.05412	8.3
117.06967	6.8
119.04874	6.4
121.06465	5.4
123.04371	7.0
124.05189	2.0
125.05942	4.8
129.06944	1.1
131.04858	11.2
132.05664	1.1
133.02814	11.6
133.06454	5.2
135.04376	1.4
137.05949	16.0
143.04924	1.0
144.05653	1.9
145.06416	13.8
147.04340	6.1
147.08041	1.3
148.05148	4.2
149.05933	6.3
151.03867	3.4
151.07491	9.6
152.04634	1.6
153.05443	5.3
155.05951	3.6
157.06427	1.5
160.05141	4.5
161.05911	7.6
163.03856	2.0
163.07487	6.3
165.05434	8.1
167.06975	100.0
171.06522	1.5
173.05914	20.8
174.06738	1.2
175.07457	8.9
177.05397	1.4
177.09062	1.4
179.07014	1.9
181.04884	44.7
187.07452	1.4
188.08282	1.8
189.09059	2.1
190.06204	4.7
191.06961	20.5
192.55385	0.9
195.08099	1.2
201.09090	0.9
203.06973	9.0
205.08549	10.4
207.06439	1.2
209.07971	1.9
217.08551	5.1
223.07428	3.4
233.07951	3.4
235.09561	4.2
241.08553	2.0
245.85722	0.9
247.09613	2.0
249.85849	0.8
255.10158	2.0
259.09540	1.5
263.09119	1.5
267.10019	1.0
287.12756	1.0
297.07657	1.0
297.11145	1.6
309.11020	2.1
314.88440	1.0
319.15665	1.0
327.12112	5.0
329.10110	4.0
335.08890	1.0
339.12207	1.4
355.11844	1.2
381.13055	1.6
385.12778	4.8
387.14310	5.1
415.13864	1.2
416.14529	16.8
417.15280	21.1
443.17200	1.3
535.19458	1.3
565.20514	69.2
566.20758	1.2
595.21313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03852	0.4
65.03897	2.4
67.05472	1.0
69.03397	1.7
78.04677	1.0
79.05459	5.2
81.03390	3.8
81.07002	1.2
81.31456	0.6
85.02863	3.2
89.03877	0.5
91.05448	12.1
93.03351	0.7
93.07008	2.7
95.04930	6.1
97.06425	0.5
100.79179	0.5
103.05439	8.7
105.06987	3.9
106.04132	1.2
106.73840	0.5
107.04916	9.1
109.06522	0.6
110.03640	0.6
111.04378	4.4
115.05396	5.5
117.06966	8.4
118.04066	0.6
118.07308	0.4
119.04898	5.6
119.07222	0.5
119.08524	0.7
121.06445	4.4
122.03566	1.1
123.04366	6.1
124.05153	3.0
125.05933	3.2
129.06958	0.8
131.04881	10.4
131.08495	0.8
132.05595	0.7
133.02788	11.8
133.06442	3.8
133.93596	0.4
135.04364	2.3
135.08015	0.6
136.05103	0.4
137.05927	25.9
138.03012	0.5
142.02544	0.6
143.04860	2.8
144.05634	1.2
145.06438	15.9
147.04343	6.3
147.08025	2.5
148.05151	5.7
149.05946	3.8
151.03841	4.6
151.07477	6.8
152.04590	2.2
153.05331	3.8
155.06000	3.0
156.05643	0.6
158.07080	0.6
159.04323	0.6
159.07990	2.8
160.05157	3.1
161.05913	5.8
162.06688	0.6
163.03827	0.9
163.07465	5.4
165.05391	5.2
166.06171	1.1
167.06970	100.0
171.06471	2.3
172.05118	0.6
173.05914	20.2
174.06668	0.9
174.56538	0.5
175.07434	6.6
176.04620	0.7
177.05383	1.8
177.09099	1.1
179.06963	2.3
179.08386	0.7
180.07869	0.6
181.04884	44.8
184.05119	0.6
185.05879	0.7
187.07458	2.2
188.04617	0.7
188.08269	0.7
189.05455	0.6
189.08928	1.7
190.06172	3.4
191.06940	13.6
195.06424	0.6
198.06737	1.0
201.05432	0.9
201.09181	0.6
202.06088	0.8
203.06927	7.8
205.04759	0.5
205.08525	8.7
207.08151	0.6
209.07924	0.8
215.06868	0.6
217.08549	3.3
219.06403	1.2
220.07246	0.9
221.09491	0.6
223.07535	1.7
229.08551	0.6
233.07954	5.4
234.06697	0.5
235.07504	0.9
235.09523	4.6
241.08467	1.9
247.09531	2.8
255.10159	1.1
257.11832	0.5
259.09589	0.9
261.09189	0.7
263.06808	0.8
265.08380	0.7
277.08466	1.1
279.10153	0.7
287.12598	0.7
291.10098	0.7
293.07849	0.9
295.09528	0.8
297.10873	0.6
299.09113	0.8
309.10971	1.0
315.12036	0.9
325.10703	0.6
327.12222	3.9
329.10080	2.6
339.11914	1.5
355.11563	0.7
357.13138	3.2
372.11136	0.6
385.12640	3.1
387.14230	9.5
415.13678	1.1
416.14511	12.2
417.15234	24.5
418.15894	0.7
565.20502	57.3
566.20819	2.2
577.20459	1.0
595.21423	1.0
612.71509	0.5
613.22394	3.1
715.26849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52969	0.7
61.02900	7.8
67.05481	9.9
69.03405	4.1
69.07045	3.4
73.02885	4.6
74.20741	0.7
75.85075	0.8
79.05475	6.2
81.03391	1.4
81.07027	8.7
82.90551	0.8
83.04970	0.8
83.08600	1.6
85.02875	6.4
86.09687	3.0
86.72689	0.7
91.03935	3.8
91.05429	6.4
93.07028	8.1
95.08554	8.0
97.00742	0.9
97.02857	7.3
97.06470	1.1
101.02324	0.8
101.86274	0.9
105.07002	4.3
107.08569	2.0
108.91695	0.8
109.02863	1.1
109.06364	0.8
109.10093	1.1
117.06970	0.9
119.08563	1.9
121.10110	1.6
121.43997	0.9
122.10467	0.8
127.03879	1.0
131.08540	1.1
133.10088	1.3
147.11537	0.9
177.27696	1.0
184.07315	3.2
212.00420	0.8
243.08369	1.6
269.17416	1.1
271.09192	1.0
313.17987	1.2
331.18912	4.9
387.20847	1.1
519.29492	6.9
729.41046	1.3
809.47791	7.4
827.48853	100.0
828.49017	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.7
67.05486	9.2
69.03413	4.0
69.07042	2.0
70.64173	0.8
73.02903	5.0
79.05466	4.8
81.03399	1.3
81.07030	8.2
83.04958	1.1
85.02885	4.4
91.05467	6.2
92.09323	1.5
93.07028	6.2
95.08611	4.8
97.02863	2.3
98.45860	0.9
101.02384	1.7
105.07011	4.2
107.08574	4.5
109.10136	3.4
112.12740	0.8
119.08593	1.2
121.10091	1.4
133.10129	4.1
151.11234	1.2
243.08450	4.6
331.18857	5.9
368.39624	1.0
410.71213	1.0
499.32843	1.0
519.28717	2.2
549.26807	4.9
749.27405	1.2
827.48907	100.0
828.49677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	4.6
64.28352	0.3
64.61962	0.3
67.05478	4.7
69.03409	2.4
69.07039	2.9
71.01331	0.4
71.04946	0.5
73.02878	3.8
79.05460	4.7
81.03375	2.4
81.07018	4.8
83.08587	0.7
85.02873	4.2
86.09695	1.4
91.03921	3.1
91.05434	5.1
91.05842	0.3
92.09389	0.4
93.07005	6.3
95.01289	0.4
95.04945	0.8
95.08559	3.0
97.02869	3.5
97.06530	0.4
99.04430	0.5
101.02356	2.0
105.04463	0.4
105.06979	5.6
107.04938	1.9
107.08577	3.1
109.02861	0.5
109.10113	0.7
117.06986	1.7
119.08515	3.2
121.10135	1.5
124.99982	0.4
127.03900	1.4
131.08546	2.3
133.10097	3.5
135.11627	0.6
145.10094	1.5
147.11682	2.0
149.09546	0.4
149.13210	0.5
159.11644	0.7
161.13214	0.5
163.11221	0.4
163.14792	0.4
179.14313	0.5
184.07266	2.6
204.40422	0.5
243.08330	4.3
259.20465	0.4
275.20041	0.7
301.08990	1.3
315.10422	0.6
315.19150	5.9
371.17001	0.4
371.21997	0.6
373.23575	0.5
374.27966	0.4
397.18472	0.5
413.23285	0.4
465.20807	0.5
495.21906	0.6
533.26965	10.8
535.28546	7.3
605.29016	1.4
618.57074	0.4
627.88226	0.4
827.48865	100.0
828.49225	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	827.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	6.4
61.96628	0.4
66.77661	0.5
67.05483	6.5
67.48467	0.4
69.03410	3.9
69.07047	3.2
71.01273	0.4
73.02890	4.4
73.67619	0.4
79.05459	3.9
81.03396	2.5
81.07018	6.2
83.08617	0.9
85.02888	4.5
85.62241	0.4
87.27106	0.5
91.03933	2.9
91.05456	2.9
93.07018	5.1
95.04921	1.0
95.08573	4.1
97.02867	5.9
97.10122	0.9
101.02360	1.0
105.07011	2.5
107.08583	3.1
109.10136	0.9
117.07032	1.0
119.08559	0.8
121.10158	1.0
121.23030	0.5
123.11688	0.5
127.03870	2.1
133.10165	0.6
135.11690	0.7
135.48544	0.5
145.10080	0.6
185.04176	0.5
193.85760	0.5
210.76396	0.5
224.16644	0.5
243.08395	2.4
291.19562	0.7
294.17484	0.5
331.18835	2.1
340.65256	0.6
519.29242	7.5
549.26672	2.3
827.48840	100.0
828.49945	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04966	4.2
61.02905	17.3
67.05482	97.8
69.03391	5.2
69.07048	9.0
71.04970	4.2
71.08606	24.1
73.02881	6.0
76.55705	1.1
79.05462	1.4
81.03387	1.4
81.07032	23.9
83.08593	17.3
84.55555	0.9
85.02876	17.3
85.06511	1.7
85.10171	11.8
86.09635	3.1
91.03915	10.6
91.05451	6.9
93.07016	4.6
95.08567	22.9
97.02865	10.8
97.10103	5.1
99.08088	1.3
107.08598	1.2
109.10124	99.0
111.08041	5.4
119.08537	8.7
123.11636	2.5
124.99966	1.6
127.03858	2.6
137.09587	2.5
137.13223	1.4
145.04916	2.2
155.10640	5.1
163.06021	3.7
165.60744	1.0
173.11676	26.1
184.07329	9.3
194.99942	1.0
229.14272	100.0
239.23550	2.3
247.34534	1.3
257.24509	1.5
264.74692	1.6
313.27267	94.8
402.93134	1.1
408.71475	1.2
467.37189	79.5
702.34039	1.2
826.48065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64824	1.4
61.02904	2.5
67.05476	3.8
69.03416	2.1
73.02898	2.4
79.05466	3.6
81.07048	6.7
86.09690	2.9
87.09702	1.8
91.05476	3.1
93.07017	6.3
95.08594	2.0
105.06994	2.0
107.08578	3.4
119.08527	2.4
124.99995	1.9
125.09684	1.8
131.08521	1.8
184.07349	11.2
217.48315	1.7
331.18649	4.0
440.38492	1.9
519.28894	2.6
549.26428	6.9
603.89038	2.0
727.15918	2.1
827.48773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	6.9
67.05483	16.3
69.03410	4.4
69.07047	8.2
73.02883	4.9
79.05459	12.3
80.05785	0.7
81.03388	2.4
81.07026	16.6
81.07484	0.6
82.07389	0.5
83.04980	0.8
83.08589	2.7
83.94907	0.3
85.02879	7.2
85.06538	0.5
85.64874	0.4
86.09656	0.4
91.03925	2.8
91.05453	9.5
92.05797	0.4
92.09357	0.9
93.07010	13.6
93.07575	0.5
94.07314	0.7
95.04942	2.2
95.08568	11.6
96.08937	0.4
97.02856	6.3
97.05894	0.4
97.06512	2.4
97.10137	2.6
99.04425	0.7
101.02357	2.2
105.06989	7.0
105.07582	0.4
106.07339	0.5
107.04921	0.5
107.08559	7.4
107.09219	0.5
108.08852	0.6
109.02880	0.8
109.06518	0.5
109.10123	3.5
111.08058	0.4
117.06976	2.4
119.08546	7.2
121.10107	4.3
122.10460	0.6
123.08099	0.6
123.11629	0.7
125.09632	2.5
127.03889	1.5
129.06966	0.9
131.08531	3.9
133.10092	4.0
135.08038	0.9
135.11635	2.6
141.07047	0.5
143.08568	0.6
145.06479	0.5
145.10094	2.9
147.11685	2.3
149.09631	2.3
149.13254	0.8
155.08562	0.4
157.10121	0.5
159.08064	0.7
159.11739	1.7
161.13251	1.8
163.11098	0.6
166.01451	0.4
171.11661	0.6
173.13197	0.7
185.13240	0.6
189.11133	0.5
201.12897	0.4
219.17451	0.5
220.89079	0.5
243.08371	2.2
257.19037	0.5
261.22125	0.5
275.19971	3.0
276.20288	0.8
301.08975	0.4
329.17123	20.7
329.21085	0.7
335.25711	10.6
336.26093	3.6
349.23657	3.0
350.24112	1.6
403.87039	0.5
417.78040	0.4
519.29388	5.1
547.24786	2.7
599.92920	0.4
609.45001	7.4
610.45380	6.5
627.45721	1.0
628.46545	0.7
727.88031	0.4
731.73303	0.5
825.47272	100.0
826.47424	3.6
839.74359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82156	0.2
59.92928	0.2
60.26633	0.2
61.02903	5.3
67.05483	10.5
67.05814	0.5
68.05828	0.3
69.03405	3.4
69.07052	5.2
71.04951	0.4
73.02895	3.5
74.52898	0.3
79.05460	7.4
79.37756	0.2
81.03392	2.2
81.07027	9.3
81.07485	0.4
82.07379	0.7
83.04950	0.3
83.08601	2.4
85.02880	4.5
86.09687	0.3
91.03946	2.0
91.05439	7.0
91.05939	0.4
93.07011	7.0
93.80846	0.3
94.07375	0.3
95.04936	1.1
95.08575	6.5
97.02849	3.6
97.06508	1.2
97.10160	2.2
101.02367	1.5
103.03885	0.3
105.07009	4.4
107.04957	1.3
107.08549	4.5
109.02887	0.5
109.06501	0.4
109.10145	2.3
117.06977	3.3
119.08543	6.4
120.08936	0.4
121.06504	1.2
121.10081	2.2
122.10526	0.4
123.11703	0.4
125.09586	3.3
127.03925	1.3
131.08522	2.3
133.10083	2.5
135.08037	1.2
135.11700	0.7
143.08537	0.7
145.10085	2.2
147.08037	0.4
147.11707	1.8
149.09596	1.2
149.13260	0.4
155.08505	0.5
157.10146	0.5
159.08040	0.6
159.11731	1.4
161.13297	0.4
163.11218	0.6
173.13272	1.2
179.14403	0.3
182.53917	0.3
185.04128	0.6
203.86278	0.4
227.12859	0.5
243.08334	3.3
258.19400	0.4
271.16925	0.5
275.19937	3.1
276.20380	1.4
299.16214	0.7
301.08636	0.4
329.17111	11.9
335.25806	3.3
336.26056	1.2
349.23514	2.9
350.24014	0.7
369.15524	0.3
385.19620	0.5
498.24728	0.3
519.29358	2.7
526.91583	0.4
547.24805	5.2
609.44922	3.2
610.45313	4.0
627.46417	0.7
628.46436	0.6
825.47302	100.0
826.47638	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	825.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	4.4
67.05486	5.6
69.03416	2.3
69.07037	6.8
73.02890	2.6
78.13371	0.6
79.05463	5.4
81.03400	2.6
81.07036	5.9
83.04948	1.1
83.08596	1.1
85.02895	3.3
86.09687	3.1
90.18417	0.5
91.03956	0.8
91.05449	6.4
93.07011	6.4
95.01315	0.9
95.04955	1.4
95.08595	5.3
97.02874	3.7
97.06515	1.5
101.02341	0.7
105.06989	6.9
107.04939	2.7
107.08588	2.9
109.06528	0.7
109.10174	0.9
117.06997	2.4
119.08569	3.8
124.99980	1.3
127.03894	0.6
131.08510	2.2
133.10052	4.6
135.11639	1.0
138.73592	0.6
144.23125	0.7
145.10143	2.6
147.11662	0.9
149.09628	1.0
159.11633	1.3
163.11157	1.0
165.54762	0.6
174.89586	0.7
179.14412	2.0
184.05885	1.0
184.07245	6.0
187.11087	0.8
202.17032	0.7
243.08427	4.4
252.75764	0.8
275.20163	0.9
284.18628	0.6
315.19220	7.1
328.46466	0.7
371.22009	3.1
383.11963	0.8
399.84406	0.7
533.27020	22.1
550.44531	0.7
610.45679	0.8
753.97382	0.7
825.47296	100.0
826.47467	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	1.5
61.02880	2.8
65.03902	2.1
67.05482	100.0
69.03407	10.6
69.07043	28.1
71.04948	5.3
73.02898	1.3
79.05465	96.9
81.03378	6.3
81.07027	85.4
83.04954	12.4
83.08594	32.7
85.02892	2.9
85.06509	2.0
91.05447	57.9
93.07007	79.7
94.39416	1.3
95.04948	12.4
95.08571	59.7
97.02820	2.8
97.06504	6.4
97.10135	49.2
98.03577	1.2
105.04503	1.4
105.06293	1.6
105.06998	60.6
107.04915	8.2
107.08562	87.7
109.02863	2.7
109.06487	8.2
109.10121	24.4
111.08015	2.3
117.06974	14.9
119.08535	36.6
119.41412	1.2
121.06466	1.4
121.09280	1.8
121.10110	29.9
123.08062	2.2
123.11662	7.1
125.09595	41.9
127.03869	2.3
129.06938	2.9
131.08534	25.7
133.10092	27.8
135.08012	8.4
135.11639	17.5
137.09531	2.3
141.06960	1.6
143.08521	7.7
145.10092	25.4
147.11644	18.7
149.09593	9.1
149.13205	7.2
155.08516	1.4
157.10081	5.2
159.11626	16.8
161.13205	6.9
163.11179	1.9
163.14748	1.6
169.10037	1.5
171.11598	2.1
173.13196	8.5
175.14764	2.2
183.11563	5.0
185.13222	7.0
185.57593	1.3
187.14766	2.4
189.11143	18.9
193.34842	1.3
197.13216	2.6
199.14774	2.2
203.14186	2.0
219.17343	2.9
227.12695	35.0
238.95824	1.2
239.17841	2.4
257.18842	7.2
259.20462	2.3
261.22076	14.0
275.19943	30.9
317.24554	1.9
331.22464	5.8
333.23886	4.8
335.25693	79.5
336.26059	2.0
349.23618	51.1
389.18106	1.4
487.33582	1.4
505.35144	19.8
535.41150	1.7
555.40314	1.4
609.44891	93.9
610.45428	2.6
627.45917	15.2
649.39691	2.9
697.43695	1.7
825.46777	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	824.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61671	1.4
64.32427	1.7
65.03921	2.5
67.05479	86.5
69.03387	9.8
69.06705	3.1
69.07037	28.0
69.82343	1.6
71.04949	3.7
71.08600	2.0
79.05459	100.0
79.85472	1.9
81.03396	8.2
81.07021	78.9
83.04939	7.6
83.08592	33.2
85.02873	3.0
91.05438	53.6
93.06999	58.2
95.04936	8.5
95.08566	43.8
97.06512	8.4
97.10126	70.1
105.06987	60.0
107.04922	8.0
107.08560	93.6
109.06481	3.9
109.10123	32.2
110.18241	2.0
111.08005	3.2
116.11811	1.6
117.06999	17.9
119.08548	31.1
121.06439	2.4
121.10111	22.0
123.08021	2.7
123.11652	8.5
125.09585	51.2
129.06984	3.8
131.08524	23.1
132.94202	1.8
133.10068	29.9
135.08006	9.7
135.11665	15.5
143.08569	7.3
145.10063	20.0
147.11661	13.9
149.09601	9.8
149.13173	4.0
153.12689	2.7
155.69308	1.9
157.10089	7.3
159.11620	14.1
161.13214	7.6
171.11603	7.4
173.13261	2.8
183.11702	3.5
185.13208	2.6
187.13202	2.0
187.14708	3.4
189.11163	27.5
227.12691	71.2
241.19577	2.6
241.43576	1.9
251.68459	1.9
257.18906	7.6
259.20428	2.9
261.21967	13.3
275.19946	45.6
331.22830	3.4
335.25711	55.4
349.23590	44.2
359.17062	2.2
389.17963	2.1
476.41351	2.1
491.28122	3.2
505.34457	2.3
515.36774	3.1
580.16376	3.1
609.35614	2.7
609.44958	79.6
627.46027	16.5
653.66937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	4.9
64.32207	0.8
65.03893	3.5
67.05479	100.0
69.03397	9.4
69.07044	33.7
71.04963	5.9
73.02878	1.4
77.03903	1.2
79.05460	77.1
81.03399	10.0
81.07023	97.7
83.04939	11.6
83.08587	12.8
85.02878	8.5
85.06515	5.1
85.93708	0.9
86.09675	4.4
89.82835	1.0
91.05441	60.9
93.07002	84.0
95.04917	15.7
95.08566	59.4
97.02849	5.5
97.06474	11.2
97.10123	5.0
99.08015	1.0
103.05433	1.3
105.04487	1.3
105.06992	47.6
107.04925	4.7
107.08554	43.0
109.02839	1.7
109.06462	9.1
109.10107	18.2
111.04384	1.3
111.08053	5.2
112.87548	0.8
115.05395	2.0
117.06977	20.5
118.49142	0.8
119.08532	34.0
121.06425	3.8
121.10093	24.1
123.08026	4.6
123.11641	5.7
124.99943	1.1
125.09567	1.4
127.03873	1.5
128.06203	1.2
129.06972	5.9
131.08525	26.1
133.09084	1.0
133.10081	22.5
135.08035	3.5
135.11638	18.8
137.09613	1.4
141.06908	1.8
143.08543	8.4
145.06479	0.9
145.10080	15.5
147.08008	1.1
147.11641	14.0
149.09558	5.1
149.13190	8.3
155.08430	1.5
157.10072	5.3
159.07913	1.3
159.11632	14.2
161.13225	5.3
163.11143	3.8
169.10094	1.5
171.11670	3.7
171.57567	0.8
173.13188	5.2
175.14754	1.5
177.46921	0.9
180.10170	0.9
183.11649	4.0
184.07251	6.2
185.13171	4.5
187.14845	1.5
189.12749	1.0
195.13786	1.4
197.13242	1.8
199.14899	1.1
201.16286	1.1
211.14731	1.1
217.15704	0.9
219.17368	1.0
239.17917	1.4
255.15741	3.5
257.18890	4.0
259.20493	1.8
261.22101	6.6
269.17368	14.2
275.19949	16.6
291.19623	1.0
293.20834	1.4
309.20517	4.4
317.24335	1.1
324.85678	1.2
331.22485	1.0
335.25665	64.4
349.23590	16.1
367.24384	1.6
515.37152	8.4
529.38702	48.0
533.64734	1.0
543.40222	1.9
569.41779	12.4
609.44922	20.7
627.45685	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	824.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	3.7
65.03909	4.1
67.05479	62.5
69.03404	1.7
69.07043	21.5
71.04967	3.2
73.02875	0.9
77.03913	1.2
78.73470	0.7
79.05463	61.9
81.03389	1.4
81.07023	59.2
83.04962	3.8
83.08595	9.6
85.02875	1.8
85.06526	1.1
86.09669	1.8
91.05441	64.5
92.05761	0.8
92.08653	0.8
93.07007	63.3
95.04927	11.7
95.08569	41.9
97.02837	1.4
97.06503	4.0
97.10130	4.9
103.05413	3.0
105.04499	1.4
105.06993	67.6
107.04941	1.8
107.08559	34.2
109.06493	3.2
109.10120	15.9
111.08051	3.2
115.05409	3.9
115.37371	0.8
116.06244	1.2
117.06979	34.3
117.07776	1.5
119.08530	49.0
121.10096	20.1
123.07994	1.5
123.11655	3.5
125.00002	1.8
128.06212	4.6
129.06950	28.1
130.07748	3.4
131.08514	45.5
133.10077	30.8
135.07985	1.2
135.11632	12.9
141.06917	8.1
142.07779	5.6
143.08516	24.8
144.09297	1.3
145.10078	35.8
147.07961	1.2
147.11636	21.6
149.09581	1.8
149.13225	4.9
153.06897	1.0
154.07707	1.0
155.08507	16.3
156.09305	1.6
157.10063	21.6
159.11627	21.6
161.09608	1.2
161.13200	9.1
163.14822	1.2
165.06970	0.9
167.08530	6.9
168.09317	1.2
169.10078	18.8
169.11418	1.3
169.46933	0.8
171.11617	18.8
173.09566	1.2
173.13184	13.2
175.11147	0.8
175.14769	3.9
177.12680	0.9
179.08492	1.8
181.10075	9.1
182.10710	1.1
183.11626	19.4
183.13200	1.1
184.07265	3.8
185.13162	13.3
187.14719	5.8
193.10098	4.4
195.11600	11.0
197.13205	13.8
199.14737	8.5
201.16353	4.0
207.11606	3.1
209.13196	8.1
211.14766	7.8
213.16298	4.8
215.17894	1.4
221.13260	3.0
223.14749	6.3
225.16351	5.6
227.17926	3.6
233.13176	0.9
235.14859	1.3
237.16296	4.5
239.17918	3.2
241.19505	2.8
247.14603	1.0
251.17741	1.2
253.19444	1.3
257.18900	5.3
259.20535	7.3
265.19473	0.9
279.20978	1.0
283.20447	1.0
297.21991	1.2
323.23526	1.4
325.25516	0.8
333.24197	6.4
335.25696	3.3
343.26462	0.8
347.23212	0.9
351.26529	1.3
363.26450	1.1
365.28308	0.9
391.30057	1.3
397.31592	1.0
433.30011	1.0
501.35242	3.1
513.35321	1.3
515.36749	1.0
517.40350	10.3
527.37250	1.2
535.41101	5.3
539.36859	1.7
569.22058	0.9
591.43793	10.5
609.44916	100.0
610.45343	1.9
699.45001	0.9
753.48438	1.1
771.49670	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	2.7
65.03911	2.4
67.05476	100.0
69.03386	8.5
69.07038	27.5
71.04956	2.9
71.08640	1.4
73.02873	1.5
75.16160	1.1
79.05452	71.1
81.03378	6.0
81.07017	89.1
83.04951	9.5
83.08585	12.7
85.02879	7.3
85.06504	2.6
87.04417	1.2
87.55403	1.1
91.05440	58.0
93.06997	83.8
95.04924	10.2
95.08560	62.9
96.32116	1.1
97.02832	2.3
97.06468	9.8
97.10123	7.6
99.08060	2.3
99.93140	1.2
102.27590	1.2
103.05433	1.8
105.04485	1.5
105.06983	39.8
107.04939	5.7
107.08551	45.0
109.06472	4.2
109.10116	25.9
111.08066	6.3
115.05457	1.6
117.06972	20.0
119.08527	33.9
121.06395	3.5
121.10076	28.1
123.08036	5.4
123.11649	7.2
125.09581	2.4
127.03851	1.3
129.06924	9.3
131.08510	29.8
133.10054	30.4
135.08017	1.6
135.11615	21.5
137.09511	2.6
141.06932	1.4
141.26595	1.2
143.08527	9.0
145.10068	23.3
147.11606	14.3
149.09563	7.4
149.13185	10.7
155.08450	2.5
157.10086	6.1
159.11633	15.5
161.13213	7.1
163.11090	4.8
163.14726	1.2
165.12746	1.7
169.10097	5.1
171.11653	4.4
173.11732	2.5
173.13219	10.3
175.14818	1.9
183.11606	2.8
185.13152	5.3
199.14760	1.4
219.17412	1.7
227.12651	2.1
239.17993	2.1
255.15805	8.8
257.18921	8.0
261.22009	5.7
269.17365	12.1
275.19937	19.0
309.20468	1.7
331.22629	1.6
335.25659	62.8
336.25784	1.4
349.23587	15.6
367.24496	1.8
408.52979	1.3
413.68149	1.3
489.35590	2.5
515.36914	8.4
529.38599	18.8
569.41595	9.5
609.44885	27.0
627.45642	7.1
657.07233	1.3
745.81183	1.4
809.08148	1.7
838.57709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84391	0.6
58.36366	0.7
61.02909	11.7
65.58905	0.6
67.05482	43.0
69.03402	5.2
69.07040	13.5
71.01324	3.7
71.04958	6.1
71.18477	0.6
73.02882	3.3
79.05460	48.0
79.46806	0.7
81.03387	49.8
81.07025	33.0
83.04948	19.1
83.08588	16.8
85.02876	28.4
85.06522	3.8
91.03931	5.1
91.05442	29.2
93.07006	48.3
95.04929	21.3
95.08574	10.9
97.02854	9.4
97.06498	9.6
97.10122	10.9
99.04417	1.2
99.08076	1.3
101.02290	0.8
105.04501	0.7
105.06997	17.0
107.04910	4.9
107.08560	32.7
109.06511	5.0
109.10119	6.7
111.04420	1.5
111.08047	8.6
115.05408	1.0
117.06996	5.3
119.08536	19.1
121.06474	2.7
121.10090	12.5
123.08036	1.3
123.11637	1.1
127.03881	1.7
128.06238	0.8
129.06969	9.2
131.08507	9.7
133.06464	1.6
133.10063	9.7
135.11650	39.7
135.12697	1.3
137.09572	3.6
141.06831	0.8
142.07722	0.9
145.10086	8.2
147.08034	2.9
147.11668	12.3
149.09517	5.0
151.02740	0.8
157.10056	9.7
163.05977	0.9
163.11076	6.2
163.93079	0.6
165.12651	0.8
175.11113	10.8
181.12199	5.9
193.12178	28.5
199.13324	1.2
211.13213	24.4
255.15810	65.3
256.16260	0.9
267.15799	17.7
285.16873	15.2
305.32138	0.8
421.25732	4.8
438.04016	0.8
447.27267	43.0
448.27621	1.2
465.28320	100.0
466.28549	2.9
509.18515	0.8
594.70160	0.7
609.32507	1.1
795.04456	0.9
814.30914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02886	0.6
63.28305	0.3
65.03915	4.8
67.05474	2.6
69.03409	2.4
69.07024	0.4
71.04943	0.7
75.04451	4.1
78.04681	2.4
79.05453	5.7
81.03391	2.3
81.07003	1.4
82.04145	0.6
83.04945	1.6
85.02874	7.7
89.03886	1.3
89.69059	0.3
91.05445	12.4
93.02766	0.4
93.03368	11.1
93.07005	5.9
95.04934	9.5
97.02879	1.1
97.06494	5.8
99.04420	0.3
100.11221	0.4
103.05430	23.3
105.03362	1.6
105.04489	1.4
105.06998	8.7
106.04139	27.2
107.04928	11.2
108.05719	0.3
109.06467	2.0
110.03632	2.0
111.04406	4.5
115.05409	5.2
117.03324	1.5
117.06983	4.5
118.04113	4.6
119.04899	2.7
119.08525	0.5
120.05721	0.5
121.02796	0.4
121.06459	31.3
121.10243	0.3
122.03603	0.4
122.07232	0.6
123.04379	6.0
123.08004	0.6
124.05194	2.7
125.05945	12.2
127.07494	0.5
128.06052	0.4
129.05429	0.7
129.06975	1.5
130.04066	1.3
131.04883	21.7
131.05894	0.7
131.08501	1.5
132.05653	1.3
133.02779	1.4
133.06436	9.6
134.03583	5.1
135.04385	3.9
135.08055	2.2
136.05150	0.5
137.05922	7.3
138.03053	0.6
138.06711	1.5
139.03897	0.7
139.07474	2.6
141.06943	1.1
142.02551	1.5
143.04871	1.4
143.05960	0.5
144.05655	2.1
145.02777	1.5
145.06442	5.6
146.03639	0.5
146.07249	0.4
146.10533	0.4
147.04349	1.7
147.08003	2.9
148.05147	14.0
149.05934	49.3
150.06581	0.4
150.74892	0.3
151.03848	3.0
151.07486	3.8
152.04608	2.4
152.08316	0.5
153.05440	5.0
153.09061	10.9
155.05965	0.4
155.08464	0.3
156.05649	0.5
157.04886	0.6
157.06454	0.5
158.07169	0.4
159.04391	0.5
159.07951	1.4
160.05115	1.2
161.05927	10.5
162.06607	0.7
163.03873	4.2
163.07480	25.6
165.05383	1.7
165.09082	0.4
166.06177	2.1
167.06973	62.9
168.07277	0.4
169.06319	0.5
171.04315	0.5
171.06461	4.1
173.05923	7.3
174.06728	1.3
175.06094	0.5
175.07474	4.7
176.04601	2.6
177.05406	25.2
177.08961	1.3
178.06143	0.4
179.06931	1.6
181.04893	64.8
181.08488	20.8
182.05232	0.4
183.06471	0.4
184.03685	0.4
185.05887	0.6
187.07487	3.0
189.05342	1.3
189.09004	0.6
190.06174	1.3
191.06964	65.9
192.07547	1.3
193.04807	1.4
193.08553	3.9
195.06427	3.4
195.07936	0.3
201.05367	1.3
203.06972	2.8
205.06657	0.5
205.08478	3.3
207.06430	1.9
207.08124	0.7
207.10091	1.7
209.08018	100.0
210.08388	1.5
217.08456	2.6
219.06224	0.6
219.08089	0.7
219.09930	3.2
221.07930	0.6
223.07480	0.4
229.08423	0.4
231.06442	0.4
233.07965	4.1
235.07410	1.9
235.09540	4.2
236.08215	0.7
237.05356	0.4
237.08958	0.4
239.10500	0.5
241.08449	0.4
245.08049	0.6
247.07452	0.6
251.06876	0.5
252.07693	0.4
255.09962	0.4
259.09409	0.5
261.08661	0.4
263.09061	11.7
264.07651	0.7
265.08438	0.5
267.10059	3.0
269.08157	0.4
271.09366	0.5
277.08569	0.5
279.06674	0.4
279.10043	0.5
280.07098	0.4
281.08124	0.5
287.13120	0.4
295.09442	1.6
297.11127	0.4
305.07642	0.6
307.09338	0.6
311.63617	0.4
313.10422	0.4
323.08688	0.5
325.10645	2.9
327.12161	0.4
329.13806	0.5
335.08774	0.4
339.12228	0.4
355.11566	0.5
357.13171	4.0
359.14737	0.7
367.11844	0.6
369.12997	0.4
371.14557	0.4
385.12634	5.6
387.14099	0.7
389.16013	0.4
399.14249	2.2
417.15274	17.9
442.08386	0.3
453.33688	0.4
518.80841	0.3
577.20422	0.4
597.20532	0.5
609.22577	0.6
813.27277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.5
57.07056	0.3
60.08146	8.3
64.32241	0.3
65.03898	0.4
67.00620	0.3
67.05486	5.4
69.07050	3.0
71.07344	4.9
71.59867	0.3
79.05141	0.2
79.05476	4.0
81.07025	5.0
83.08595	0.5
86.09680	48.0
91.05447	3.2
93.07015	4.2
95.04910	1.8
95.08578	3.6
97.06509	0.5
97.10102	0.7
98.98431	4.0
104.10708	4.7
105.07029	2.5
107.04903	0.4
107.08559	1.6
109.06464	1.4
109.10118	1.5
117.06966	0.5
119.08545	1.3
120.30681	0.3
121.10120	1.2
124.99962	36.1
131.08551	0.6
133.06503	0.4
133.10141	0.5
135.08008	1.3
135.11713	1.2
143.08508	0.3
145.10085	0.7
147.11641	0.4
175.11038	0.4
184.07283	100.0
223.13040	0.4
267.95364	0.4
273.18375	0.7
291.19409	5.8
335.25705	4.0
365.23111	1.9
606.30945	0.3
625.44434	6.6
650.43512	1.6
704.48303	4.3
772.53778	2.5
790.54596	0.5
822.58282	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	824.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02886	0.6
63.28305	0.3
65.03915	4.8
67.05474	2.6
69.03409	2.4
69.07024	0.4
71.04943	0.7
75.04451	4.1
78.04681	2.4
79.05453	5.7
81.03391	2.3
81.07003	1.4
82.04145	0.6
83.04945	1.6
85.02874	7.7
89.03886	1.3
89.69059	0.3
91.05445	12.4
93.02766	0.4
93.03368	11.1
93.07005	5.9
95.04934	9.5
97.02879	1.1
97.06494	5.8
99.04420	0.3
100.11221	0.4
103.05430	23.3
105.03362	1.6
105.04489	1.4
105.06998	8.7
106.04139	27.2
107.04928	11.2
108.05719	0.3
109.06467	2.0
110.03632	2.0
111.04406	4.5
115.05409	5.2
117.03324	1.5
117.06983	4.5
118.04113	4.6
119.04899	2.7
119.08525	0.5
120.05721	0.5
121.02796	0.4
121.06459	31.3
121.10243	0.3
122.03603	0.4
122.07232	0.6
123.04379	6.0
123.08004	0.6
124.05194	2.7
125.05945	12.2
127.07494	0.5
128.06052	0.4
129.05429	0.7
129.06975	1.5
130.04066	1.3
131.04883	21.7
131.05894	0.7
131.08501	1.5
132.05653	1.3
133.02779	1.4
133.06436	9.6
134.03583	5.1
135.04385	3.9
135.08055	2.2
136.05150	0.5
137.05922	7.3
138.03053	0.6
138.06711	1.5
139.03897	0.7
139.07474	2.6
141.06943	1.1
142.02551	1.5
143.04871	1.4
143.05960	0.5
144.05655	2.1
145.02777	1.5
145.06442	5.6
146.03639	0.5
146.07249	0.4
146.10533	0.4
147.04349	1.7
147.08003	2.9
148.05147	14.0
149.05934	49.3
150.06581	0.4
150.74892	0.3
151.03848	3.0
151.07486	3.8
152.04608	2.4
152.08316	0.5
153.05440	5.0
153.09061	10.9
155.05965	0.4
155.08464	0.3
156.05649	0.5
157.04886	0.6
157.06454	0.5
158.07169	0.4
159.04391	0.5
159.07951	1.4
160.05115	1.2
161.05927	10.5
162.06607	0.7
163.03873	4.2
163.07480	25.6
165.05383	1.7
165.09082	0.4
166.06177	2.1
167.06973	62.9
168.07277	0.4
169.06319	0.5
171.04315	0.5
171.06461	4.1
173.05923	7.3
174.06728	1.3
175.06094	0.5
175.07474	4.7
176.04601	2.6
177.05406	25.2
177.08961	1.3
178.06143	0.4
179.06931	1.6
181.04893	64.8
181.08488	20.8
182.05232	0.4
183.06471	0.4
184.03685	0.4
185.05887	0.6
187.07487	3.0
189.05342	1.3
189.09004	0.6
190.06174	1.3
191.06964	65.9
192.07547	1.3
193.04807	1.4
193.08553	3.9
195.06427	3.4
195.07936	0.3
201.05367	1.3
203.06972	2.8
205.06657	0.5
205.08478	3.3
207.06430	1.9
207.08124	0.7
207.10091	1.7
209.08018	100.0
210.08388	1.5
217.08456	2.6
219.06224	0.6
219.08089	0.7
219.09930	3.2
221.07930	0.6
223.07480	0.4
229.08423	0.4
231.06442	0.4
233.07965	4.1
235.07410	1.9
235.09540	4.2
236.08215	0.7
237.05356	0.4
237.08958	0.4
239.10500	0.5
241.08449	0.4
245.08049	0.6
247.07452	0.6
251.06876	0.5
252.07693	0.4
255.09962	0.4
259.09409	0.5
261.08661	0.4
263.09061	11.7
264.07651	0.7
265.08438	0.5
267.10059	3.0
269.08157	0.4
271.09366	0.5
277.08569	0.5
279.06674	0.4
279.10043	0.5
280.07098	0.4
281.08124	0.5
287.13120	0.4
295.09442	1.6
297.11127	0.4
305.07642	0.6
307.09338	0.6
311.63617	0.4
313.10422	0.4
323.08688	0.5
325.10645	2.9
327.12161	0.4
329.13806	0.5
335.08774	0.4
339.12228	0.4
355.11566	0.5
357.13171	4.0
359.14737	0.7
367.11844	0.6
369.12997	0.4
371.14557	0.4
385.12634	5.6
387.14099	0.7
389.16013	0.4
399.14249	2.2
417.15274	17.9
442.08386	0.3
453.33688	0.4
518.80841	0.3
577.20422	0.4
597.20532	0.5
609.22577	0.6
813.27277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.6
57.07052	0.4
60.08148	8.4
61.85630	0.3
62.13891	0.3
65.03898	0.4
67.05483	5.8
69.03389	0.4
69.07043	2.7
71.07347	4.8
79.05469	4.3
81.03392	0.5
81.07025	5.7
83.04943	0.4
83.08591	0.6
86.09677	47.4
87.10015	0.3
91.05437	3.6
92.09365	0.8
93.07005	4.4
95.04932	1.1
95.08585	4.0
97.06485	0.5
97.10117	0.6
98.98426	4.3
104.10728	2.9
105.07020	2.8
106.65132	0.2
107.04912	0.5
107.08566	2.4
109.06496	0.5
109.10120	2.3
117.07011	0.6
117.17374	0.3
119.08534	1.7
121.06451	0.3
121.10106	1.5
124.99961	35.7
125.09543	0.4
129.07007	0.4
131.08496	0.7
133.10088	1.2
135.08028	1.2
135.11644	0.5
143.00993	0.6
145.10046	0.6
147.11604	0.3
159.11600	0.3
166.37242	0.3
184.07283	100.0
185.07579	0.4
223.13179	0.5
273.18436	1.4
291.19446	6.1
304.83090	0.4
325.23065	0.3
335.25616	4.7
365.22958	2.8
607.43616	0.4
615.86749	0.3
625.44489	5.3
650.43365	1.2
704.48724	3.3
754.53046	0.5
772.54492	2.9
790.56110	0.6
794.76337	0.3
822.44427	0.4
822.58099	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.5
57.07056	0.3
60.08146	8.3
64.32241	0.3
65.03898	0.4
67.00620	0.3
67.05486	5.4
69.07050	3.0
71.07344	4.9
71.59867	0.3
79.05141	0.2
79.05476	4.0
81.07025	5.0
83.08595	0.5
86.09680	48.0
91.05447	3.2
93.07015	4.2
95.04910	1.8
95.08578	3.6
97.06509	0.5
97.10102	0.7
98.98431	4.0
104.10708	4.7
105.07029	2.5
107.04903	0.4
107.08559	1.6
109.06464	1.4
109.10118	1.5
117.06966	0.5
119.08545	1.3
120.30681	0.3
121.10120	1.2
124.99962	36.1
131.08551	0.6
133.06503	0.4
133.10141	0.5
135.08008	1.3
135.11713	1.2
143.08508	0.3
145.10085	0.7
147.11641	0.4
175.11038	0.4
184.07283	100.0
223.13040	0.4
267.95364	0.4
273.18375	0.7
291.19409	5.8
335.25705	4.0
365.23111	1.9
606.30945	0.3
625.44434	6.6
650.43512	1.6
704.48303	4.3
772.53778	2.5
790.54596	0.5
822.58282	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	822.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	12.9
57.07056	2.2
60.61077	1.2
61.02905	1.7
65.03912	3.1
67.05479	96.2
69.03404	3.1
69.07040	26.4
71.04962	3.9
79.05463	75.2
81.03376	8.8
81.07025	100.0
83.04944	39.7
83.08595	7.4
85.02845	2.5
85.06516	3.6
86.09663	2.5
88.64407	1.6
91.05446	73.3
92.09332	6.2
93.06422	3.1
93.07005	77.9
95.04926	16.9
95.08572	53.5
97.06501	7.0
97.10115	2.7
99.04401	2.8
105.06998	58.0
107.04926	6.6
107.08559	63.3
109.06477	11.3
109.10117	59.1
111.08065	2.2
117.06963	11.6
119.08537	25.5
121.06441	7.7
121.10106	20.0
123.08007	3.5
123.11671	8.9
124.99942	2.8
125.09537	1.5
127.07505	2.1
129.06961	6.9
131.08527	19.9
133.06451	1.8
133.10081	74.6
135.07982	6.8
135.11636	16.5
143.08566	8.4
145.06448	2.2
145.10056	8.2
147.08015	2.5
147.11636	9.5
149.09615	6.2
149.13184	3.4
151.11151	24.5
157.10103	2.2
159.11685	6.3
161.09622	3.9
161.13177	1.9
163.14796	3.2
165.48669	1.6
169.12149	3.5
171.11555	1.8
173.13229	7.2
181.63516	1.5
184.07257	7.8
185.13084	2.0
203.14125	2.1
253.14240	58.4
253.16766	3.2
261.22058	10.6
263.20023	2.2
273.18365	16.8
291.19434	10.6
312.36441	1.9
333.23901	2.3
335.25662	60.4
347.22046	3.5
365.23010	21.7
513.35693	2.8
531.36554	25.9
607.43121	8.5
611.46252	3.0
625.44373	53.8
643.46191	2.2
658.65259	2.4
830.50623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	16.8
60.08128	3.1
63.95883	1.1
65.03900	1.6
67.05480	75.0
69.00150	1.2
69.03413	10.5
69.07043	44.4
69.91150	1.1
71.04955	3.1
71.07317	2.6
72.02268	1.5
72.81649	1.3
79.05463	58.5
81.03379	7.9
81.07025	78.4
83.04948	5.4
83.08601	12.5
86.09676	35.1
91.05446	40.3
93.07008	62.9
95.04930	13.2
95.08570	51.8
97.02854	11.3
97.06493	6.7
97.10128	19.0
99.08027	1.6
104.10696	1.6
105.07011	23.5
107.04903	9.0
107.08566	35.5
109.06487	2.3
109.10124	18.5
111.08033	1.9
115.05396	1.5
117.06969	10.5
117.80347	1.4
119.08540	25.9
121.06477	4.9
121.10094	17.9
123.08006	3.2
123.65247	1.3
124.99942	26.1
125.09609	10.3
129.06952	5.2
131.08527	17.4
133.06416	2.9
133.10091	13.4
134.90454	1.3
135.07953	5.0
135.11662	10.3
142.07750	1.8
143.08511	2.5
145.10065	9.2
147.07994	6.6
147.11653	6.4
149.13205	5.6
152.82564	1.8
157.10057	5.0
159.11615	3.3
161.13208	2.5
163.11105	1.9
171.11591	1.5
184.07298	74.4
189.11101	2.0
205.12285	1.8
223.13216	27.3
227.12662	2.4
249.14781	2.6
261.22009	7.1
273.18427	12.2
291.19437	100.0
317.24561	2.7
335.25671	75.4
365.23062	41.2
365.27551	1.7
545.38232	2.3
607.42889	2.8
625.44434	96.8
626.44885	4.9
654.86609	1.8
704.48151	1.8
822.57428	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	11.7
57.38862	2.2
60.08129	3.6
60.45885	1.8
64.33031	2.5
65.03905	2.5
65.37382	2.2
67.05482	69.3
69.03407	14.4
69.07039	41.8
79.05460	50.3
81.03374	4.0
81.07025	59.0
83.04940	3.3
83.08579	14.1
85.06512	2.2
86.09676	30.1
88.79211	2.0
91.05439	30.0
93.07010	48.9
95.04942	13.8
95.08583	40.2
97.02843	15.0
97.06506	2.5
97.10128	14.6
105.06996	23.5
107.04919	11.2
107.08566	28.8
109.06496	4.1
109.10135	19.4
111.04352	2.5
111.30534	2.3
117.06976	12.7
118.18259	2.0
119.08523	24.0
121.06474	2.3
121.10107	14.7
124.99989	24.2
125.09553	7.9
131.08533	12.6
133.06465	3.9
133.10046	5.1
135.08095	2.4
135.11639	3.8
141.06934	2.3
143.08508	2.4
145.10078	10.4
147.07988	5.0
147.11591	5.5
149.13211	8.1
157.10100	3.7
159.11633	3.6
184.07275	64.4
205.12288	2.8
223.13255	24.0
227.13042	3.0
249.14813	3.9
261.21948	4.0
273.18396	10.4
284.23636	2.3
291.19418	100.0
335.25690	53.4
339.59290	2.3
347.25488	3.2
365.23083	41.6
366.14142	2.4
370.53088	2.2
545.37616	2.5
625.44489	59.6
822.56927	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	10.8
57.07057	0.5
58.06301	0.4
58.06566	0.4
59.56323	0.5
60.08144	8.5
63.00042	0.4
65.03900	0.7
67.05479	22.7
69.03403	1.0
69.06683	0.5
69.07041	10.8
71.04948	1.0
71.07346	4.1
77.65235	0.4
79.05461	16.8
81.03381	2.4
81.07027	23.1
83.04933	2.7
83.08595	4.8
83.25660	0.5
85.02927	0.5
85.06501	0.8
86.09675	47.4
91.05445	14.1
92.08739	0.5
93.07005	18.0
95.04923	3.2
95.08566	14.9
97.02840	1.2
97.06496	3.4
97.10130	2.8
98.98419	3.1
104.10693	3.7
105.04503	0.6
105.06993	9.5
107.04938	2.0
107.08556	9.9
109.06472	5.7
109.10108	7.2
117.06950	3.7
119.08537	6.2
121.06477	0.7
121.10109	6.4
123.07972	1.0
123.11652	1.2
124.99955	30.3
125.09584	1.0
127.07491	2.2
129.06963	0.8
131.08530	6.0
133.06465	1.2
133.10059	4.4
135.07988	3.6
135.11650	2.9
139.58934	0.5
143.01044	0.6
143.08536	1.2
145.10062	4.2
147.08005	2.0
147.11635	2.8
149.09589	0.8
149.13176	0.9
151.11218	0.7
155.08411	0.7
157.10066	2.1
159.11639	2.5
161.09531	0.9
163.11113	0.8
171.11664	0.9
173.13144	0.8
179.78304	0.5
183.11649	0.5
184.07278	100.0
193.12219	0.5
194.04921	0.5
199.14757	0.7
217.15842	0.6
223.13196	2.6
235.16852	0.7
243.21104	0.5
249.14749	0.7
253.14233	0.7
261.22061	1.2
273.18369	4.7
291.19427	25.3
296.37311	0.5
335.25665	22.5
360.75198	0.5
365.23053	13.4
487.07816	0.6
528.28253	0.6
607.42938	1.1
625.44427	22.6
648.09283	0.6
704.48114	4.3
772.54901	3.5
790.54761	0.7
822.57751	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	820.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98969	16.8
59.72263	13.1
67.05474	25.5
81.07028	18.1
82.42500	15.6
84.97295	14.2
88.74067	15.6
236.66689	16.7
286.04214	19.6
324.65021	15.9
335.25571	100.0
336.21826	16.7
400.90585	18.8
613.47693	17.7
761.05029	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	822.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	6.7
57.07055	1.3
64.03588	0.6
65.03898	2.7
67.05111	1.4
67.05476	43.6
69.03394	1.0
69.07038	31.7
69.07413	1.1
71.04951	3.4
71.08585	0.6
73.02866	0.8
73.06478	0.7
79.05457	47.0
81.03379	7.7
81.07020	54.2
83.04951	6.7
83.08585	10.5
85.02856	0.6
85.06530	2.3
91.05441	71.0
92.09342	2.2
93.07003	49.4
95.01294	8.0
95.04947	10.6
95.08566	37.7
97.06489	18.5
97.10112	1.5
99.08044	1.1
103.05420	3.3
105.06990	100.0
107.04911	16.4
107.08552	26.5
109.06477	5.2
109.10123	9.9
111.04335	1.0
111.08026	2.5
115.05408	1.1
117.06973	22.8
119.08535	58.7
121.06461	4.3
121.10105	12.7
123.04375	1.0
123.08003	4.2
123.11638	0.9
125.09570	0.9
128.06151	1.0
128.37111	0.6
129.06946	7.8
130.07735	0.7
131.08516	28.7
133.06448	1.2
133.10075	48.1
135.08006	4.6
135.11639	12.1
137.09589	2.2
139.07448	0.9
141.06967	2.4
143.08502	7.5
145.06396	2.4
145.08986	1.2
145.10072	21.9
147.11638	27.0
149.09567	5.4
149.13171	6.5
151.11145	2.7
155.08482	2.9
157.10048	7.5
158.22797	0.6
159.11610	16.1
161.13185	10.8
163.11101	3.9
163.14775	0.9
169.10059	2.7
171.11612	6.3
173.13199	6.4
175.11179	0.9
175.14787	3.9
177.12712	1.4
179.14258	9.7
183.11641	2.4
185.13185	4.6
187.11107	2.6
187.14764	2.5
195.13635	0.6
197.13130	1.2
199.14729	1.5
200.15518	0.7
201.12706	0.7
231.20938	1.2
239.17798	1.1
241.19405	10.8
243.21062	0.7
257.18921	4.0
259.20465	15.5
275.19949	33.1
276.20230	0.6
293.20929	1.0
315.22986	6.6
333.24100	30.4
337.17682	0.6
340.39304	0.6
349.19339	0.9
349.23611	26.2
351.25043	0.6
356.25189	0.6
513.34912	1.1
551.40576	0.7
555.36377	0.8
607.43353	75.2
625.44336	9.9
822.46033	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	820.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	1.6
57.07035	2.3
60.07871	0.5
60.08144	8.2
60.75684	0.3
67.05486	5.0
69.07030	1.9
71.07349	3.5
71.08601	1.3
73.00546	0.3
79.05457	2.7
81.07024	4.8
83.08578	1.4
85.10130	0.6
86.09675	41.8
91.05432	2.1
93.07011	3.3
95.08578	2.8
97.10143	0.8
98.98424	3.5
104.10717	2.8
105.06980	0.8
107.08533	1.7
109.10098	2.2
117.06967	0.8
119.08554	3.6
121.10083	0.5
124.99954	31.2
125.09575	0.7
131.08490	0.7
133.10094	0.5
135.11662	0.4
143.01041	0.3
145.10042	0.5
147.11571	0.4
149.13184	0.7
159.07930	1.5
184.07274	100.0
186.69069	0.4
225.36165	0.4
229.14272	1.3
240.34047	0.3
275.19992	0.7
313.27332	4.2
335.25598	2.0
363.21674	0.6
367.24542	0.4
507.40042	2.0
587.46100	1.6
623.42822	3.2
650.42975	0.6
704.48102	1.8
752.52307	0.5
770.52234	1.6
802.55493	0.4
820.56866	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	820.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	7.2
60.08132	5.1
61.21442	4.0
67.05495	40.5
68.48816	3.8
69.07045	16.3
71.62148	3.2
79.05453	35.6
81.07034	35.7
86.09686	56.9
91.05437	41.3
92.09311	7.0
93.07016	30.4
95.08572	40.2
103.65144	3.5
105.07003	31.8
107.08541	14.5
109.10119	8.0
117.06983	7.2
119.08546	21.5
121.10103	8.2
124.99971	28.0
131.08539	20.4
133.10100	22.4
145.10080	6.7
147.11659	4.3
184.07272	100.0
219.17380	32.6
227.32562	4.1
251.20604	4.0
266.18930	3.9
275.20062	8.8
311.20044	3.9
335.25598	32.0
349.23645	18.0
609.44873	71.9
650.42987	5.0
765.02441	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	820.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83576	0.7
59.83996	0.7
60.08146	8.6
63.46679	0.7
64.32915	0.8
64.96752	0.7
67.05472	3.1
71.07332	4.7
76.28096	0.9
81.07029	1.2
86.09678	44.2
92.09360	1.0
93.06989	0.9
95.08565	1.2
98.98430	3.9
102.25070	0.7
104.10686	1.4
107.07189	1.0
124.99963	32.0
151.96643	0.8
159.08093	1.0
161.74330	0.8
164.77000	0.8
174.11035	0.9
184.07280	100.0
313.27127	1.5
321.06161	0.8
523.10254	1.0
704.47491	3.1
770.53381	1.8
820.55878	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	820.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	8.2
57.76101	1.0
59.04990	1.1
59.26124	0.9
65.03921	1.2
67.05480	60.0
69.03398	7.8
69.07035	19.2
70.16024	1.2
71.04953	2.3
79.05454	73.4
81.07021	52.4
81.07488	2.4
83.04946	6.4
83.08583	43.5
85.06512	2.0
86.09653	2.1
91.05441	58.4
92.09410	2.4
93.07004	41.6
95.04928	5.3
95.08562	24.9
97.06506	2.6
97.10126	90.2
103.05402	1.3
104.52757	1.1
105.06995	15.6
107.04916	2.6
107.08558	47.5
109.06507	2.3
109.10112	18.1
111.08048	4.7
115.05423	7.0
117.06972	46.1
119.08532	65.2
121.06455	2.8
121.10097	13.8
123.11584	1.4
125.00010	1.9
125.09583	67.7
128.06184	1.7
129.06963	3.0
131.08517	15.5
133.06424	1.2
133.10083	8.3
135.07993	15.2
135.11653	6.0
142.07742	1.2
143.08475	8.7
143.10603	1.4
145.06436	31.0
145.10120	10.1
147.07985	6.4
147.11655	2.1
149.13202	2.5
153.09044	7.6
155.08525	4.9
157.06364	1.2
157.10089	4.9
159.07968	13.4
159.11618	4.9
160.08798	1.5
161.09541	1.2
161.13190	1.5
163.07507	1.4
169.09985	2.0
171.10132	2.5
173.09558	4.6
173.13199	2.3
183.11671	1.4
184.07228	8.6
185.09526	1.5
189.11143	35.1
225.16193	1.3
227.12703	100.0
243.17355	2.8
243.20953	4.5
253.15822	4.7
261.22058	11.8
271.16818	52.6
289.17902	16.4
335.25659	29.5
345.20474	10.9
363.21503	17.9
487.33994	5.6
505.34988	11.3
605.41901	28.4
623.32916	2.4
623.42828	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	820.519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	25.1
57.61620	1.8
61.07210	1.9
67.05486	44.0
69.07030	10.6
75.54003	2.0
79.05016	2.8
79.05465	39.2
81.07032	41.0
83.04944	18.3
83.08569	3.3
86.09682	23.0
91.05438	21.9
93.07011	33.3
95.04912	3.3
95.08565	26.1
98.11862	2.0
99.04396	1.9
101.81322	2.1
105.06995	22.7
107.04931	21.2
107.08552	13.3
109.06491	12.9
109.10122	13.5
111.04405	4.4
117.06979	9.0
119.08556	13.2
119.29696	2.2
120.00027	2.0
121.06438	4.2
121.10107	12.4
123.11687	3.5
124.99956	14.2
129.06947	3.1
131.08537	10.9
133.10097	4.7
135.07991	5.1
135.11761	3.2
143.08493	2.4
145.06454	4.5
145.10081	9.1
147.11630	2.1
155.08536	3.5
156.06830	2.1
159.07953	3.8
159.11546	2.8
173.09503	3.2
173.13231	2.6
177.12787	2.6
184.07297	41.1
233.15297	3.0
271.16852	3.8
273.72147	2.1
289.17969	14.9
335.25720	49.5
335.29440	3.9
363.21536	16.8
623.32898	3.8
623.42908	100.0
690.40820	2.8
824.52118	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	820.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	13.0
57.07052	2.2
59.04995	1.1
65.03902	2.1
67.05481	96.3
69.03407	9.2
69.07041	27.0
71.04966	2.1
72.90435	1.0
79.05458	88.6
81.03384	2.4
81.07026	76.0
83.04949	7.6
83.08594	45.5
83.09094	1.3
85.06527	1.8
86.09681	2.6
88.31243	0.9
91.05444	76.8
93.07008	74.6
93.91628	1.0
95.04951	8.2
95.08570	46.6
97.06489	4.3
97.10130	95.8
101.09629	1.2
103.05426	2.2
105.04501	1.3
105.07001	25.8
107.04921	2.5
107.08561	59.9
109.06495	5.6
109.10123	23.1
111.08054	5.1
115.05418	6.2
116.06224	1.5
117.06979	56.3
119.08537	78.0
121.06438	2.5
121.10111	20.9
123.11649	4.5
125.09584	72.7
128.06172	2.5
129.06966	5.9
131.08513	19.4
133.06465	1.2
133.10092	12.5
135.08002	13.7
135.11630	11.8
137.09500	1.6
141.06989	1.4
143.08511	12.3
143.10616	1.6
145.06441	30.0
145.10060	12.3
147.08025	7.4
147.11656	7.0
149.13228	7.6
153.09079	6.9
155.08519	2.4
157.10086	6.9
159.08014	20.1
159.11652	7.4
160.08809	1.3
161.09619	2.4
161.13214	2.5
163.07468	2.0
163.14766	1.8
167.08661	1.1
169.10110	4.5
171.07993	1.2
171.10201	1.3
173.09593	6.6
173.13187	1.7
183.11620	1.5
184.07272	9.0
185.13246	1.1
189.11162	37.9
189.12784	1.7
224.21721	1.1
225.16275	1.6
227.10474	2.3
227.12701	68.6
238.22318	1.1
243.17293	4.6
243.20982	4.1
245.13855	1.4
250.51254	1.4
253.15849	2.5
261.22034	18.2
263.49960	1.2
271.16827	47.0
289.17899	17.6
317.24841	2.2
335.25705	51.9
345.20505	11.1
363.21548	19.5
391.12094	1.3
413.30206	1.8
487.34003	6.7
505.35080	43.2
591.72809	1.3
605.32379	1.8
605.41779	43.4
623.42834	100.0
624.43195	4.2
775.01996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	11.0
62.73380	0.6
67.05465	0.6
68.52615	0.7
71.07362	4.8
81.07010	1.1
86.09678	53.4
91.05486	0.8
98.98440	3.7
104.10705	3.1
124.18208	0.7
124.99963	36.6
143.00960	0.9
165.38382	0.7
179.91812	0.7
184.07278	100.0
185.07635	0.9
209.42735	0.6
242.06369	0.6
338.10144	0.7
365.41098	0.7
716.47992	1.3
798.55432	1.2
816.56799	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	818.6179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	54.3
67.05457	4.6
69.07033	19.1
71.08601	42.5
73.06506	9.3
79.05459	8.3
81.07014	8.1
83.08555	5.4
84.09816	5.4
85.10155	26.3
86.09657	5.7
86.49828	4.7
87.04441	9.0
89.06002	100.0
91.05512	5.9
133.08592	38.3
177.11066	10.4
184.07288	8.6
245.58003	4.6
302.12256	5.1
313.27136	6.1
323.11679	4.8
399.13141	5.4
635.45764	7.9
640.89313	5.7
819.39557	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	820.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.4
59.28406	0.5
62.57328	0.6
65.03909	0.7
67.05479	26.8
69.03389	0.9
69.06669	1.1
69.07039	24.3
70.90990	0.5
71.04977	0.8
79.05461	24.3
81.03378	6.2
81.07023	32.2
83.04960	4.9
83.08586	4.5
86.09669	4.0
91.05444	40.7
93.07008	24.1
94.07269	0.6
95.01282	7.6
95.04926	6.7
95.08558	17.4
97.06488	34.0
97.10124	1.1
99.08024	0.7
103.05470	0.6
104.86179	0.5
105.06995	51.4
107.04915	14.9
107.08557	11.9
109.06491	2.2
109.10124	5.9
111.08027	2.2
111.71751	0.5
116.06176	0.6
117.06968	11.7
119.08533	27.5
121.06454	2.8
121.10098	4.7
123.04386	0.9
123.08032	4.0
123.11709	0.7
124.99967	2.6
125.09608	0.8
129.06998	3.0
131.08514	14.9
133.10075	26.7
133.11050	1.0
135.08000	2.3
135.11674	5.7
137.09590	2.4
139.07487	0.8
141.06895	0.7
142.07751	0.6
143.08505	2.9
145.06451	2.5
145.10089	11.0
147.11662	8.2
149.09587	5.4
149.13203	1.3
151.11142	1.1
155.08563	0.7
157.10072	0.8
159.11626	7.0
161.09546	0.7
161.13217	2.7
163.11133	5.0
165.09074	1.2
169.10136	2.4
171.11629	1.4
173.13188	1.3
177.12694	2.7
179.14252	10.3
183.11584	1.0
184.07283	10.1
185.13266	0.6
187.11131	1.3
187.14659	0.6
197.13196	0.9
205.00868	0.6
239.17905	0.6
247.20535	2.3
247.65236	0.6
249.32236	0.6
257.18829	2.7
257.31277	0.6
275.19952	42.5
293.20914	2.2
349.23627	29.7
508.29092	0.7
580.09076	0.6
623.42841	100.0
624.43140	1.3
641.43732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.51
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.6
61.02915	7.2
67.05487	6.4
69.03403	3.8
73.02905	4.4
73.08302	0.9
79.05473	5.9
81.03417	1.3
81.07038	6.2
85.02888	6.1
86.09672	1.3
91.03951	3.8
91.05450	2.1
93.07012	2.3
95.08578	4.1
97.02892	5.4
99.88911	1.0
101.02325	1.3
107.08590	1.9
119.08556	1.2
121.10119	1.7
127.03910	1.1
130.49207	0.9
135.11691	1.1
157.04663	0.9
163.70261	1.0
184.07451	1.0
186.25510	1.1
204.28459	1.1
243.08409	1.7
266.24072	1.1
353.60831	1.1
391.35190	1.1
519.29102	7.5
535.28625	4.0
718.49426	1.2
813.50897	100.0
814.50879	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	813.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.7
58.97273	0.8
61.02902	7.7
64.32454	0.8
67.05492	6.3
69.03411	3.8
69.07044	1.0
73.02901	4.4
79.05470	4.8
81.03403	1.6
81.07014	8.0
85.02885	6.5
91.03943	3.6
91.05470	3.7
93.07016	5.0
95.08572	5.7
97.02870	4.7
97.03458	0.8
99.04425	1.0
101.02341	1.5
105.07016	3.8
107.08599	1.9
109.10149	1.0
111.11530	0.8
121.10111	1.1
126.93107	0.9
127.03896	1.4
133.10196	1.2
184.07378	1.6
185.04277	1.0
216.03575	0.8
243.08344	2.0
245.01607	1.0
264.95654	0.8
458.62198	0.8
519.29291	8.0
535.28961	4.7
568.65887	0.9
780.33032	0.9
813.50934	100.0
814.50891	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	814.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	10.1
67.05468	0.9
69.07056	0.6
71.07343	5.0
79.05463	0.6
81.07004	1.0
86.09673	52.1
98.98419	4.0
104.09894	0.5
104.10707	2.7
113.43353	0.5
124.99956	38.5
134.64751	0.5
141.24454	0.5
143.01031	0.8
152.88161	0.6
154.44032	0.5
184.07274	100.0
246.63126	0.5
402.67722	0.6
653.45013	0.6
714.46777	1.1
720.69635	0.6
786.74408	0.6
814.56134	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	813.4885
Annotation	Glabrin C
Peak:m/z	Relative Intensity
58.44307	2.8
60.29072	3.0
86.44042	3.3
122.65591	3.8
164.45813	3.2
274.03543	3.6
301.06363	3.5
322.85464	3.7
423.01160	4.1
566.47784	4.0
813.48639	100.0
814.48523	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	813.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85059	0.2
57.03415	2.2
61.02903	6.6
62.53719	0.2
66.48024	0.2
67.05477	5.8
69.03410	3.4
69.07044	1.4
71.04988	0.3
73.02898	4.6
74.15650	0.3
76.55756	0.3
76.74191	0.3
79.05464	4.9
79.24527	0.3
79.47945	0.3
81.03392	1.3
81.07031	5.4
83.08603	0.4
85.02876	5.5
86.09674	1.2
91.03906	3.2
91.05431	3.6
92.08601	0.3
93.07014	6.0
93.07507	0.4
95.04939	1.2
95.08570	4.5
97.02850	4.4
97.03327	0.2
99.04445	0.7
101.02325	2.0
103.03897	0.3
105.06999	2.6
107.08554	2.7
109.06543	0.3
109.10159	1.5
110.58755	0.3
115.03906	0.6
117.06985	0.6
119.08536	2.3
121.10132	1.8
123.11664	0.5
124.99963	0.6
127.03919	1.5
131.08539	0.6
133.10075	2.0
135.11700	1.2
145.04956	0.4
147.11685	1.4
149.13284	0.7
159.11803	0.3
161.13289	0.5
171.11667	0.5
172.54849	0.3
184.07268	2.4
185.04250	1.1
201.03609	0.5
243.08278	2.7
301.08884	0.7
315.10696	0.3
317.20792	0.3
335.25922	0.6
373.10910	0.3
519.29095	6.6
519.36548	0.3
535.28735	4.4
591.31824	0.4
813.50946	100.0
814.51166	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	813.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	4.8
65.03898	1.9
67.05480	20.2
68.99756	1.3
69.03378	3.2
69.07052	2.0
71.04969	1.8
79.05466	22.1
81.02947	2.1
81.03387	38.7
81.07021	15.6
83.04955	7.8
83.08575	10.1
83.99149	1.2
84.06919	1.2
85.02870	1.7
91.05444	24.7
93.03359	1.5
93.07000	12.7
95.04934	23.3
95.08585	8.7
97.02858	1.5
97.10149	5.7
103.69357	1.2
104.25723	1.3
105.07019	13.6
107.04921	16.2
107.08577	7.6
109.06474	26.0
109.10118	1.8
111.04403	6.8
111.08035	2.1
111.46360	1.3
115.05426	5.3
117.06958	2.7
119.08550	7.5
121.02829	1.5
121.06425	8.9
121.10117	3.1
123.04391	5.6
123.08019	1.5
125.09601	2.1
129.06934	10.5
131.04892	1.9
131.08534	9.7
133.06435	1.8
133.10081	2.9
135.04349	1.7
135.08038	5.7
141.06972	3.1
143.08533	2.1
145.06436	2.7
145.10103	3.1
147.04369	3.1
147.07991	1.5
147.11696	2.1
149.05965	1.7
149.09512	1.7
153.06859	4.8
155.04808	1.5
155.08446	1.6
157.06468	2.0
157.10034	3.0
161.05943	11.5
163.03873	11.1
163.11177	1.5
167.07018	2.9
167.08472	2.8
169.06493	3.1
171.04398	2.1
173.05916	70.1
173.09447	1.8
175.03772	2.5
175.07462	1.4
175.11168	2.4
181.06403	8.6
181.10236	1.2
185.05928	2.9
186.10428	1.2
187.03828	2.0
187.07498	14.0
189.05402	5.7
191.14262	4.6
193.12164	9.9
195.08035	5.3
197.05960	12.1
199.03813	5.5
199.07478	19.0
201.05405	26.4
205.06432	1.9
210.06740	3.2
211.07436	13.7
213.05452	15.8
213.09045	7.1
215.06960	2.5
217.04893	100.0
219.08005	1.7
219.13692	14.5
223.07521	6.3
225.05403	14.2
225.09055	5.5
226.06078	1.6
227.06999	10.5
229.04866	4.9
232.46790	1.5
235.07462	1.4
237.08913	2.3
239.06964	5.9
239.10631	2.0
241.04822	1.4
241.08521	5.0
243.06451	2.3
249.08778	1.4
251.07021	1.5
251.10551	1.6
253.08484	2.2
263.07043	1.8
265.08450	1.3
265.12100	4.4
267.13361	1.6
267.15823	5.3
275.10593	1.5
275.64734	1.3
281.15057	1.7
283.13184	4.8
285.14841	2.1
291.13525	2.3
309.14819	2.9
311.12704	19.3
313.14215	5.4
319.12741	1.7
327.15854	2.1
329.09995	2.5
329.13724	50.5
337.14240	13.7
355.15329	15.6
373.16309	2.6
385.16394	29.6
411.18002	6.8
429.18732	8.8
483.25800	1.6
501.25925	2.2
526.59479	1.4
529.25983	5.2
577.27649	2.0
593.31152	2.8
595.28552	2.1
603.29907	10.7
621.30450	24.8
639.30579	5.8
767.75983	1.4
769.34106	1.8
795.35760	2.4
813.37103	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	812.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	0.4
60.08142	7.0
69.07021	0.4
71.07333	2.6
72.11205	0.4
73.42247	0.3
79.05483	0.6
86.09676	43.9
86.91413	0.4
91.05460	0.5
91.25921	0.4
98.98424	4.5
104.10698	2.5
106.84908	0.4
113.45200	0.4
114.71418	0.4
117.30748	0.4
124.99959	31.5
155.34212	0.4
168.82726	0.4
172.64799	0.4
184.07280	100.0
283.06009	0.5
358.33997	0.4
708.37207	0.6
747.54980	0.5
776.51862	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	813.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	5.6
60.20742	1.1
65.03921	1.3
67.05478	22.7
69.03075	1.5
69.03398	4.5
69.07039	2.8
69.64295	1.2
71.04958	1.4
76.12366	1.2
79.05464	18.9
81.03387	40.1
81.07026	16.7
83.04945	8.0
83.08573	7.9
85.02885	1.6
91.05446	24.5
91.22044	1.2
93.07003	12.1
95.04926	21.5
95.08579	14.6
97.02852	2.2
97.06505	2.3
97.10113	5.6
105.06998	16.7
107.04918	17.7
107.08563	8.0
109.02862	1.8
109.06476	21.5
109.10149	2.2
111.04398	6.3
111.08054	1.4
115.05435	2.5
117.06973	2.8
118.89343	1.3
119.08563	9.4
121.02856	4.9
121.06456	8.2
121.10094	4.7
123.04389	5.1
123.08018	2.9
125.09595	2.8
128.06151	2.5
129.06961	7.1
131.04910	1.3
131.08546	9.1
133.06442	4.9
133.10071	4.6
135.07990	8.4
137.05865	1.4
141.06929	6.6
142.07700	1.5
143.08487	1.5
143.93973	1.2
145.06430	2.9
145.10068	6.6
147.04442	1.6
147.08025	2.2
147.11665	2.5
149.09592	4.8
153.06931	5.6
155.08481	1.5
157.06418	1.9
157.10074	7.2
161.05904	15.8
163.03839	10.9
163.11107	5.1
167.04869	1.6
167.06969	5.3
167.08426	2.0
169.06416	2.1
171.08022	1.5
173.05925	72.8
173.13235	1.5
175.03912	2.9
175.07561	1.9
175.11134	2.0
179.08459	2.0
181.06458	10.8
183.08009	2.9
185.05905	6.5
187.03804	1.6
187.07451	11.6
189.05411	8.0
191.14220	2.7
193.06358	2.1
193.12126	9.1
195.08023	5.1
197.05968	14.8
198.06709	1.5
199.03777	2.2
199.07480	19.0
201.05429	25.3
201.09032	1.4
203.06941	2.1
207.08051	2.3
209.05942	1.6
211.07463	12.4
213.05399	18.9
213.08963	9.0
215.06958	7.6
217.04890	100.0
219.11806	2.4
219.13702	16.9
223.07460	6.5
225.05417	15.7
225.08936	2.4
226.06184	2.8
227.06940	11.6
227.10501	1.8
229.04886	8.9
235.07489	2.2
237.09131	4.3
239.06927	10.4
239.10762	1.9
241.04849	2.2
241.08543	2.6
245.09575	1.4
249.09003	2.5
251.07120	1.6
252.07919	1.3
253.08322	2.2
261.09171	1.6
263.06894	2.0
265.12082	2.3
267.13452	2.4
267.15851	6.0
283.13239	2.7
285.14676	2.0
291.13693	2.5
309.14844	5.4
311.12686	21.7
313.14322	5.0
319.13187	2.6
327.15820	2.9
329.13733	47.0
337.14182	13.4
347.14642	1.5
355.15240	17.9
373.16379	3.1
385.16403	32.7
403.17432	2.3
411.17758	6.9
429.18835	9.1
485.17868	5.6
492.62347	1.4
501.26288	1.8
529.25311	5.6
547.27197	1.5
595.28461	1.9
603.29529	11.2
621.30444	26.1
639.30872	2.5
813.35840	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	811.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.1
57.78657	1.2
61.02911	6.0
63.09728	0.7
67.05495	7.3
69.03417	5.4
69.07045	1.5
71.04976	1.1
73.02887	5.4
77.36010	0.9
79.05470	6.1
81.03382	6.9
81.07021	8.8
83.08588	1.5
85.02878	5.5
91.03931	2.0
91.05469	4.6
92.09319	3.6
93.07024	5.2
95.04984	1.6
95.08573	3.8
97.02879	4.4
97.06502	1.0
101.02399	2.0
101.74781	1.0
105.07011	3.8
107.08598	4.3
107.16032	0.9
119.08561	1.6
121.06535	1.1
121.10146	1.0
121.41161	0.8
129.54726	0.9
130.41563	0.9
131.08528	1.3
147.11639	1.5
149.09642	1.6
191.99426	1.0
192.39998	1.0
193.12253	4.4
223.92078	1.0
243.08430	4.2
283.15125	3.5
333.20428	1.5
439.19696	1.6
453.20908	1.9
501.23016	14.3
551.27887	6.5
641.31635	1.9
811.44196	100.0
812.44751	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07875	0.4
60.08147	8.8
67.05464	0.4
71.07341	5.1
72.26968	0.3
81.07027	0.4
86.09676	47.4
89.13920	0.3
92.08757	0.4
93.06989	0.4
98.98412	4.8
104.10715	3.3
114.35754	0.4
124.99958	36.8
143.00928	0.6
151.50679	0.3
184.07275	100.0
185.07681	0.4
198.08504	0.3
712.44641	1.2
782.45581	0.3
794.52521	0.7
812.54346	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	809.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62954	0.8
57.03423	6.0
61.02912	8.0
67.05483	10.5
69.03419	6.4
69.07051	4.6
71.04969	1.9
73.02895	5.0
77.05040	0.9
79.05463	9.4
81.03385	5.2
81.07015	8.6
83.04945	1.5
83.08620	1.6
85.02892	6.3
86.09680	1.5
91.03906	3.6
91.05464	6.6
93.07022	6.8
95.04961	1.3
95.08571	1.8
97.02818	7.0
97.06516	1.7
97.10162	2.4
101.02368	4.0
105.07030	4.1
107.04901	1.3
107.08589	4.2
109.10172	4.1
117.06985	1.8
119.08543	5.1
121.10110	1.6
123.08037	1.1
125.09703	1.1
125.16702	1.3
131.08551	1.4
133.10092	2.1
135.11740	1.1
145.10088	1.2
147.08044	1.1
147.11716	1.7
159.06602	1.1
159.11697	1.2
163.11195	1.7
184.07333	6.2
198.76378	1.0
243.08519	1.7
365.22861	1.8
414.05670	1.0
467.18570	10.6
583.31030	7.4
809.42621	100.0
810.42938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.3
58.71288	0.2
60.08142	8.3
67.05493	0.7
69.07030	0.3
71.07342	4.4
79.05447	0.4
81.07008	1.0
86.09673	46.5
87.09997	1.5
91.05437	0.4
93.06991	0.4
98.98432	4.2
104.10706	3.5
109.10098	0.3
124.99958	35.1
126.00306	0.5
143.00983	1.1
156.64925	0.3
184.07272	100.0
185.07632	3.1
186.07791	0.4
190.57631	0.3
219.02602	0.3
377.16144	0.3
456.27335	0.3
465.36349	0.3
585.44849	0.4
792.51624	0.3
810.52582	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	810.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	10.3
62.84056	0.3
67.05477	1.6
69.32251	0.4
71.07341	6.0
74.67405	0.4
79.05465	1.7
81.07021	0.6
86.09677	49.7
87.09962	1.4
91.05429	0.5
93.71408	0.4
97.10163	0.7
98.98427	4.9
104.10732	3.9
109.10152	0.4
119.08531	0.5
123.92152	0.4
124.99960	35.9
143.01025	0.8
143.19089	0.4
145.10089	0.4
165.80257	0.4
173.60532	0.4
184.07280	100.0
185.07649	3.7
186.07726	1.0
196.08644	0.4
274.84052	0.4
408.47260	0.4
465.35596	0.5
497.49496	0.7
712.44592	0.6
792.50659	0.6
809.57068	0.5
810.52795	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	811.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	2.3
61.02909	6.3
66.32520	1.4
67.05495	6.8
69.03391	2.7
69.07053	3.1
70.64120	1.2
71.04968	2.1
73.02892	6.4
73.15751	1.2
75.74835	1.1
76.52827	1.5
79.05488	4.9
81.03413	5.7
81.07030	10.2
85.02891	7.1
85.15578	1.3
86.09687	1.7
91.05459	6.9
93.07023	2.6
95.05010	1.8
97.02892	6.6
101.02357	1.5
105.07044	5.2
107.08575	2.6
109.10100	2.3
117.07198	1.3
121.10125	5.0
123.41032	1.3
124.99945	1.5
131.08527	1.9
133.10118	2.3
147.11765	1.9
162.46782	1.3
184.07329	1.8
243.08607	1.7
267.15845	1.9
283.15149	2.8
442.34045	1.5
501.23087	14.7
508.92401	1.6
547.04785	1.3
551.28491	7.9
758.44574	1.5
811.44275	100.0
812.44427	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62954	0.8
57.03423	6.0
61.02912	8.0
67.05483	10.5
69.03419	6.4
69.07051	4.6
71.04969	1.9
73.02895	5.0
77.05040	0.9
79.05463	9.4
81.03385	5.2
81.07015	8.6
83.04945	1.5
83.08620	1.6
85.02892	6.3
86.09680	1.5
91.03906	3.6
91.05464	6.6
93.07022	6.8
95.04961	1.3
95.08571	1.8
97.02818	7.0
97.06516	1.7
97.10162	2.4
101.02368	4.0
105.07030	4.1
107.04901	1.3
107.08589	4.2
109.10172	4.1
117.06985	1.8
119.08543	5.1
121.10110	1.6
123.08037	1.1
125.09703	1.1
125.16702	1.3
131.08551	1.4
133.10092	2.1
135.11740	1.1
145.10088	1.2
147.08044	1.1
147.11716	1.7
159.06602	1.1
159.11697	1.2
163.11195	1.7
184.07333	6.2
198.76378	1.0
243.08519	1.7
365.22861	1.8
414.05670	1.0
467.18570	10.6
583.31030	7.4
809.42621	100.0
810.42938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	22.7
57.07057	4.5
58.01566	1.1
61.02895	6.5
65.03902	3.0
65.49928	1.4
67.05482	100.0
69.03404	2.0
69.07042	34.9
71.04964	2.8
73.02875	2.4
79.05462	70.1
81.03384	3.0
81.07030	81.7
83.04936	8.6
83.08584	17.4
85.02863	7.6
85.06498	5.6
91.04902	2.4
91.05447	55.4
93.07009	80.9
95.04917	8.7
95.08570	70.4
97.02834	3.3
97.06491	11.6
97.10096	2.3
98.54472	1.7
105.06991	47.8
107.08553	39.9
109.06455	5.1
109.10131	25.9
111.08054	3.1
117.06975	16.1
119.08536	32.3
121.10107	27.4
123.11638	7.5
129.06960	5.7
131.08514	16.1
133.10091	25.1
135.08040	1.9
135.11646	18.4
135.25420	1.3
141.07048	1.8
143.08511	5.2
145.10069	16.3
147.11644	19.0
147.26021	1.3
147.66100	1.2
149.09494	1.6
149.13206	8.5
157.10107	6.3
159.11606	14.6
161.13194	9.3
163.11150	2.4
165.12669	2.6
171.11606	6.8
173.13206	5.9
175.14772	2.5
184.07303	2.1
185.13165	6.7
187.14752	2.2
213.16466	1.6
231.20924	2.5
241.19391	2.6
259.20474	14.4
261.21988	5.6
264.40546	1.6
272.65961	1.4
277.21573	15.5
333.24081	8.7
335.25693	83.7
337.49292	1.5
351.25159	29.6
357.61462	1.5
365.15308	1.4
453.08487	1.4
489.35364	2.8
515.41663	1.5
611.46558	43.4
638.31659	1.5
758.80481	1.7
807.51550	6.2
808.52136	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.4
60.07870	0.4
60.08146	8.8
67.05483	0.4
71.07344	3.6
73.56406	0.3
79.05465	0.5
80.72251	0.3
81.07011	0.4
86.09674	49.1
94.74502	0.3
98.98418	4.0
101.88440	0.4
104.10696	4.1
124.99956	31.9
143.01060	0.6
155.38345	0.4
184.07277	100.0
184.29709	0.4
213.81361	0.4
283.53857	0.4
650.43555	1.6
690.46576	2.8
772.34314	0.4
772.54205	2.4
790.55511	2.9
808.42542	0.6
808.56982	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	808.5549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	18.5
57.07042	3.0
61.02900	9.3
67.05480	94.3
69.03416	4.4
69.07041	31.1
71.04952	3.5
73.02859	3.3
79.05456	67.9
81.07025	100.0
83.04953	3.9
83.08572	13.6
85.02885	5.1
91.05443	54.2
93.07005	69.6
95.04931	9.5
95.08564	67.1
97.02847	4.0
97.06468	8.8
97.10164	3.4
105.06997	45.1
107.08548	45.2
109.06477	4.1
109.10108	27.0
111.08072	2.7
117.06975	14.2
119.08527	30.1
121.10096	27.2
123.11658	3.5
129.06987	4.5
131.08488	15.3
133.10072	28.8
135.08038	3.5
135.11662	17.6
143.08478	3.5
145.10066	12.9
147.11656	15.5
149.13205	11.2
159.11638	9.7
161.13217	8.4
163.11139	2.8
171.11620	3.8
184.07259	2.4
191.78627	2.2
241.19380	2.7
243.08200	2.9
259.20471	12.3
261.22046	2.9
277.21484	11.9
309.16071	2.0
333.24179	9.7
335.25650	78.8
335.29346	3.9
351.25211	29.4
497.30905	3.4
611.46490	44.0
807.51123	11.2
808.52460	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	19.9
57.07061	4.5
59.98384	1.0
61.02886	2.6
65.03915	2.6
67.05482	100.0
69.03376	5.7
69.07040	23.9
71.04948	5.4
71.55620	1.2
73.02899	1.3
73.38925	1.3
79.05463	78.3
80.05807	1.3
81.07026	87.1
83.04960	2.3
83.08601	11.6
85.02853	2.0
85.06505	1.6
91.03906	2.0
91.05446	85.4
93.07005	89.7
94.35469	1.3
95.04926	9.7
95.08569	61.9
97.06451	4.7
97.10135	2.9
99.08041	2.5
105.04501	2.0
105.06998	80.0
107.04903	1.3
107.08562	48.6
109.06491	2.8
109.10119	23.2
111.08007	1.6
117.06978	26.2
119.08542	65.7
121.10102	36.4
123.08006	2.0
123.11642	6.2
128.06186	1.7
129.06985	13.6
131.08528	30.5
133.10085	46.4
135.11641	21.3
141.06943	1.4
142.07729	1.7
143.08537	14.6
145.10089	26.7
147.11636	40.3
149.09595	2.3
149.13188	12.4
155.08511	1.7
157.10104	13.2
159.11624	21.8
161.13211	24.8
163.14793	4.9
164.48218	1.3
169.10088	2.2
171.11621	14.1
173.13222	14.5
175.14752	8.3
183.11591	5.3
185.13237	10.9
185.14627	1.3
187.14777	2.7
189.16287	1.5
195.11678	1.9
197.13194	1.8
199.14801	5.0
213.16377	2.1
215.17960	2.2
231.17551	1.8
231.20972	4.9
241.19478	17.0
243.21005	2.0
257.18860	5.4
259.20471	48.3
261.22086	10.3
269.64499	1.5
277.21414	1.6
289.21558	2.1
301.21393	1.8
315.23114	3.1
317.24384	1.6
331.22382	1.7
333.24121	42.2
335.25693	60.6
337.27399	5.4
400.36697	1.6
503.36935	2.0
519.41791	3.1
593.45557	10.2
599.12445	1.5
611.46515	54.3
612.46802	1.8
701.47595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.1
66.04691	0.1
69.03395	0.1
74.32813	0.1
78.04684	0.7
79.05447	1.0
81.03362	0.5
81.07019	0.2
85.02885	0.7
89.97476	0.1
91.05453	0.7
91.15599	0.1
92.09420	0.1
93.06999	0.5
95.04908	0.4
96.05699	0.1
97.02868	0.1
103.05415	0.4
105.07004	0.8
106.04133	0.7
107.04919	1.5
111.04417	0.1
115.05386	0.2
117.06962	0.4
119.04855	0.1
121.06423	0.8
122.03616	0.1
123.04380	3.3
124.05177	1.5
125.05958	0.3
131.08458	0.1
133.06435	1.0
134.03627	0.1
135.04370	0.1
137.05934	0.5
141.06911	0.1
145.04880	0.1
145.05403	0.1
145.06435	0.9
149.05930	0.8
151.03864	0.5
151.07446	0.1
152.04613	1.4
155.05969	0.1
156.05702	0.1
157.06357	0.1
159.07959	0.1
161.05907	0.7
167.06972	100.0
168.07326	0.7
173.05920	1.2
179.06956	0.3
181.08496	0.7
187.07433	0.3
190.06137	0.8
193.08543	3.2
203.06947	0.1
205.08537	1.5
211.09573	6.0
212.12086	0.1
217.08499	1.0
219.10109	0.3
235.09509	0.3
247.09679	0.1
265.10626	0.8
290.09158	0.1
315.08362	0.1
330.10883	0.3
335.07513	0.1
347.19556	0.1
351.12512	0.1
371.14365	0.1
383.14648	0.6
401.15720	1.1
426.45068	0.1
723.86206	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	806.575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03403	3.6
57.21775	2.4
61.02901	4.8
64.01699	2.2
67.05482	45.2
67.36969	2.3
67.77591	2.2
69.07050	9.6
69.88038	2.5
79.04739	2.7
79.05473	40.6
81.07028	37.1
83.08596	2.7
86.88179	2.5
91.05447	17.9
93.07020	36.2
95.08574	33.2
105.07001	12.4
107.08537	13.6
109.10107	13.7
114.35688	3.0
114.69987	3.0
117.06975	5.0
119.08537	5.3
121.10107	10.8
131.08525	10.2
133.10114	4.0
135.11658	4.7
149.13219	4.3
159.11623	3.7
161.13220	3.3
173.13159	2.9
199.92242	2.5
250.43608	2.6
261.22070	12.6
269.54770	2.7
332.61505	2.8
335.25656	100.0
428.20978	3.4
532.03650	2.9
595.46643	10.7
613.47607	5.1
716.63751	3.2
765.89038	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	807.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69837	2.9
69.07008	3.8
71.01328	2.8
71.86655	2.9
78.71584	3.1
79.05471	3.6
81.07015	6.6
85.02866	4.3
91.05458	5.9
92.09345	12.1
93.07001	5.0
95.04974	3.9
95.08557	6.7
108.94157	3.1
113.68267	3.7
121.59620	3.1
165.99934	3.5
232.95621	3.2
244.46819	3.2
382.61264	4.3
452.12888	3.9
663.31842	4.4
807.51807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32105	0.3
60.08142	9.2
67.05451	0.6
71.07349	4.8
81.07001	0.4
86.09677	48.4
91.72714	0.4
96.44492	0.3
96.52369	0.4
98.98429	4.0
104.10699	2.2
124.99960	33.8
143.00980	0.6
152.31828	0.4
184.07281	100.0
203.74527	0.4
208.19705	0.4
258.07162	0.4
286.60080	0.4
316.53799	0.4
362.48831	0.4
448.62589	0.4
650.43292	0.6
652.86725	0.4
690.46405	2.2
733.22638	0.5
770.52814	1.7
788.53583	2.2
806.55249	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	806.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03178	1.9
57.03418	27.2
59.04962	2.4
61.02896	4.0
67.05484	86.4
69.03386	11.6
69.07036	27.6
71.04964	17.6
73.02876	2.9
79.05015	3.1
79.05460	72.5
81.02890	2.2
81.03384	73.4
81.07024	100.0
83.04951	27.7
83.08592	34.3
85.02879	33.3
85.06510	3.9
91.04900	3.1
91.05447	78.8
93.07009	76.2
95.04932	32.8
95.08569	36.3
97.02840	8.9
97.06493	21.6
97.10099	11.6
105.07001	60.8
107.04923	15.0
107.08562	41.0
109.02835	3.0
109.06486	14.0
109.10122	31.1
111.04372	3.7
111.08063	13.9
113.05965	4.2
115.05383	3.3
117.07000	16.4
119.04935	1.9
119.08542	47.1
119.34623	1.9
121.06455	4.7
121.10130	22.4
123.08045	6.5
123.11655	1.9
124.57425	1.8
125.09597	9.2
127.07529	2.4
129.06931	21.4
131.08537	34.5
132.31958	1.9
133.06415	7.0
133.10086	29.1
135.08006	7.3
135.11647	8.7
137.09586	4.3
142.07727	4.5
143.08501	7.8
145.10072	17.7
147.08043	6.5
147.11636	29.5
149.09566	17.9
149.13191	13.5
151.10988	2.1
157.10127	23.2
159.11659	16.0
161.13132	3.0
163.11130	8.3
171.11687	2.8
173.11691	3.4
175.11098	19.3
177.12616	2.7
183.11649	2.6
185.13196	2.6
193.12189	37.0
211.13202	33.0
227.12582	3.0
229.14247	9.9
257.18924	4.2
257.29218	2.8
267.15765	16.9
269.17340	9.8
275.19937	13.2
285.16852	32.2
349.23639	13.1
365.69257	2.5
413.21387	4.1
421.25497	4.0
439.26807	27.9
447.27194	2.6
461.28745	26.8
479.29858	79.1
519.32391	2.7
541.35321	14.3
559.36298	33.0
569.31305	2.1
591.38214	11.7
605.33624	3.4
623.34174	21.1
708.84778	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	21.1
57.24192	2.8
61.02890	4.6
63.13599	2.7
65.72202	3.0
67.05482	90.3
69.03393	12.0
69.07046	34.0
71.04955	21.2
73.32165	2.7
79.05460	71.5
81.03387	71.2
81.07021	100.0
83.04951	33.3
83.08587	30.9
85.02876	33.4
85.06499	6.4
88.44398	2.8
89.98134	3.0
91.05439	81.9
93.07011	68.3
95.04934	47.1
95.08559	32.5
95.60556	2.8
97.02846	7.3
97.06488	27.5
97.10139	12.1
99.08050	3.2
105.07000	62.3
107.04919	13.2
107.08547	34.3
109.06466	20.1
109.10095	15.2
111.08038	16.4
117.06989	22.6
119.08527	48.1
121.06453	14.7
121.10102	23.4
129.06961	20.9
131.08546	30.7
133.06464	6.5
133.10080	38.0
135.08008	5.8
135.11636	12.5
137.09593	6.2
143.08488	4.7
145.10071	24.8
147.07924	4.3
147.11624	32.2
149.09592	21.0
149.13190	11.3
155.08427	4.3
157.10112	19.8
159.11626	14.8
163.11127	6.7
165.12698	5.6
169.10132	3.8
175.11075	13.5
177.12558	5.0
184.07376	3.4
193.12137	27.8
211.13179	19.6
227.12689	5.3
267.15701	22.4
269.17477	4.7
275.19977	18.8
280.84802	3.5
285.16769	26.3
349.23376	14.4
413.21634	4.6
461.28815	36.0
479.29840	82.3
541.34778	17.7
559.35974	18.3
591.38257	6.5
623.33960	27.1
633.72748	3.7
647.13892	4.2
647.67279	3.4
746.41058	3.4
826.31384	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	806.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	24.2
57.07059	2.2
64.08797	1.3
64.32220	1.5
65.03922	1.4
67.05479	69.2
69.03403	9.4
69.07040	26.3
71.04971	9.8
74.22244	1.3
76.00475	1.4
77.26008	1.6
79.05458	56.5
81.03383	100.0
81.07017	67.9
83.04942	12.7
83.08581	30.6
83.70088	1.2
85.02859	3.3
85.06513	3.1
91.05441	51.8
93.06998	54.7
95.04922	39.7
95.08572	27.4
97.02857	3.8
97.06487	13.9
97.10118	9.6
99.04482	1.7
100.21635	1.7
103.05511	1.6
105.06991	46.9
107.04919	15.2
107.08559	31.8
109.06481	10.0
109.10085	13.7
111.04422	2.5
111.08051	9.1
117.06956	14.9
119.08541	36.4
121.06462	9.2
121.10091	19.1
123.04398	2.0
123.08018	3.5
123.11665	1.7
125.09604	7.9
129.06955	23.8
131.04875	1.6
131.08527	27.9
133.06454	5.9
133.10056	24.1
135.07988	3.0
135.11658	13.4
137.05905	5.8
137.09589	3.1
141.07002	2.8
142.07724	2.8
143.08514	8.6
145.06461	6.4
145.10049	14.7
147.07983	5.9
147.11624	18.0
149.09590	15.7
149.13228	6.2
155.08479	3.1
157.08937	2.4
157.10019	15.6
159.08023	1.7
159.11609	10.5
161.09558	2.2
161.13202	2.2
163.11116	9.5
165.12694	3.0
169.10063	2.4
171.11652	2.0
173.09567	1.9
173.13135	2.1
175.11139	8.3
175.40918	1.5
177.12756	2.3
181.16306	1.7
183.11664	2.8
184.07283	5.5
191.10695	1.7
193.12132	20.0
195.11623	1.9
195.13692	1.9
211.13213	2.1
217.15712	2.4
223.65041	1.8
227.12675	3.0
249.14893	3.0
255.15778	6.1
257.18918	2.9
267.15811	48.7
269.17334	17.5
275.19931	9.2
293.21124	1.5
337.84668	1.5
343.51874	1.6
349.23596	12.1
367.24533	2.6
369.24127	2.4
421.25549	2.8
423.27505	1.9
443.27631	3.0
447.27402	15.0
461.28769	65.6
468.45731	1.7
493.31238	8.2
501.31760	6.2
541.34985	34.7
559.36139	15.7
591.38647	1.7
629.79565	2.0
749.26227	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76366	1.6
57.03418	24.9
67.05480	67.4
69.03395	7.6
69.07034	27.2
71.04954	6.9
79.05462	61.2
81.03387	100.0
81.07024	76.1
83.04955	14.3
83.08600	25.4
85.02863	3.8
85.06507	4.0
86.09681	2.6
91.05441	51.8
92.09389	1.9
93.07006	59.1
95.04940	35.1
95.08562	27.9
97.02848	6.5
97.06488	12.3
97.10145	10.2
97.59608	1.6
99.08073	2.2
105.06995	44.4
107.04908	16.9
107.08565	41.3
109.06478	8.9
109.10123	15.5
111.04405	3.2
111.08049	8.7
114.05115	1.7
117.06966	16.3
119.08543	30.6
120.34500	1.7
121.06467	8.5
121.10100	18.2
123.08025	6.2
125.09607	7.0
129.06961	18.2
130.07730	1.6
131.08533	23.2
133.06450	6.5
133.10085	25.8
135.08026	7.7
135.11624	15.9
137.09586	3.5
141.06975	2.0
142.07826	2.3
143.08496	8.3
145.06389	2.2
145.10077	14.7
147.07991	7.7
147.11639	15.4
149.09581	12.2
149.13223	3.7
151.11136	2.8
151.63269	1.7
155.08496	3.2
157.10072	15.1
159.11624	9.5
161.09615	1.8
161.13261	2.6
163.11145	7.9
169.10139	2.7
171.11610	3.3
173.11671	2.8
173.13158	2.8
175.11145	9.2
177.12659	2.5
183.11627	2.8
184.07323	9.8
189.11125	2.0
193.12144	21.1
195.13861	3.2
211.13171	2.5
227.12688	6.6
229.14331	2.4
255.15808	8.7
257.19052	2.8
267.15839	45.7
269.17319	24.8
275.20074	7.0
278.41858	1.8
285.16650	2.2
301.14484	2.1
349.23624	8.1
357.51837	1.5
369.23886	1.9
421.25497	2.5
443.27542	6.2
447.27216	13.9
461.28793	86.4
462.29193	2.4
466.20279	1.8
477.28043	2.4
493.31702	5.7
500.92078	1.9
541.34827	17.6
559.36084	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	806.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	34.4
57.72714	1.7
58.29961	1.5
59.04980	4.4
61.02892	7.9
64.36034	1.5
66.03374	1.5
66.15585	1.7
67.05483	100.0
69.03389	8.2
69.07034	15.9
71.04949	4.0
78.55738	1.8
79.05469	47.1
81.03384	74.5
81.07019	52.1
83.04949	25.6
83.08604	32.1
84.22334	1.9
85.02878	34.7
85.06532	3.2
86.09688	1.8
87.04432	2.6
91.05441	57.1
92.09294	3.9
93.07008	35.8
95.04939	32.7
95.08573	20.6
97.02837	10.0
97.06496	11.4
97.10131	14.4
97.90952	2.2
105.06982	31.1
107.04926	13.1
107.08558	16.1
109.06502	10.5
109.10119	53.0
111.08047	9.8
117.06972	8.5
119.08536	31.1
121.06467	2.5
121.10106	10.9
123.07999	3.2
125.09602	14.1
129.05420	4.0
129.06963	11.7
131.08513	10.6
133.06398	2.4
133.10117	14.8
137.09581	4.4
142.07774	2.8
145.10080	8.7
147.07996	4.0
147.11687	14.3
149.09570	8.6
150.02548	2.0
155.10626	2.4
156.18138	2.3
157.10045	19.4
163.11119	7.4
165.12764	2.1
169.26495	1.9
173.11713	12.9
175.11142	14.0
193.12166	34.4
209.11687	2.8
209.52020	2.4
211.13240	46.2
227.12643	7.0
229.14285	34.4
267.15823	17.7
272.97226	2.1
283.15515	2.8
285.16827	35.9
301.16235	4.3
379.19083	2.1
399.23746	21.8
421.25827	15.8
439.26685	37.7
491.96838	2.1
493.27454	2.9
511.28751	10.1
609.36243	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	806.133
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56250	1.4
71.92980	3.5
72.93764	8.9
73.94551	1.5
83.04932	3.6
85.02855	1.9
88.18814	1.3
89.74745	1.7
89.94048	1.7
90.94833	5.4
91.05441	10.2
95.04927	6.4
105.03358	1.8
107.04910	5.6
108.95852	2.7
119.04900	21.1
121.02805	2.5
123.04409	1.7
125.95982	1.5
128.96317	1.5
129.39146	1.6
131.04765	2.3
131.95016	2.0
132.95810	1.6
135.04369	7.2
142.37526	1.4
143.00388	1.4
144.95804	2.6
145.02795	5.7
146.97369	1.7
147.04361	75.8
151.97641	2.5
158.97290	6.1
162.96866	2.3
163.03845	39.1
175.97649	2.4
176.98447	8.7
181.96548	1.7
183.98138	3.6
190.07695	1.5
190.56569	1.7
191.08607	2.6
191.98616	3.6
194.97374	2.8
199.97644	11.5
200.98416	6.7
201.99213	1.7
205.96576	8.4
207.98140	1.8
208.98990	2.2
211.07544	2.4
211.97719	1.6
212.98395	8.1
217.98573	2.4
218.07184	2.5
218.97322	6.0
223.97675	14.2
225.99171	1.9
227.97003	2.6
228.07771	1.7
229.98595	1.8
233.95990	2.7
234.96819	7.9
235.97534	11.4
236.02769	6.0
236.98386	11.2
237.99170	2.3
251.00008	1.8
251.97092	13.5
252.07617	1.7
252.97832	19.5
253.98625	6.9
254.09195	5.3
263.99136	7.1
264.01843	2.1
265.00000	2.0
265.94897	1.8
269.98184	9.8
275.97174	3.2
277.98596	2.6
280.00177	1.8
283.00299	3.7
284.01199	2.7
287.00052	1.9
301.98798	2.8
308.01273	9.3
310.02744	100.0
314.00974	2.0
324.00775	2.2
325.01437	6.6
325.07181	1.6
326.02264	2.9
337.98495	2.3
340.00180	2.0
342.01675	2.8
343.99628	1.9
344.03473	2.0
354.01639	1.8
364.00363	2.4
379.99594	9.4
392.01749	3.1
408.01279	11.2
426.02322	3.5
474.06207	2.6
478.05450	2.2
482.06076	2.2
494.04565	1.7
498.06244	2.2
500.07394	6.2
510.04526	3.5
528.06903	1.8
546.08783	5.7
554.05194	2.6
572.05988	15.7
574.07178	3.3
590.06989	8.3
628.67859	2.3
644.07880	2.6
674.12549	2.8
688.06543	7.5
690.08533	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	806.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55064	1.5
62.21781	1.6
63.96133	1.5
65.03926	15.9
67.05480	23.7
69.03402	18.8
69.07044	6.9
71.04972	2.1
79.05456	12.6
79.69507	2.0
81.07010	7.4
83.04955	66.3
85.02873	25.7
87.04445	2.7
89.03870	1.8
89.04396	1.9
91.05441	10.5
93.03369	35.9
93.06983	7.1
93.29472	2.1
95.04912	11.2
95.08568	3.4
97.06492	29.2
98.32372	1.8
99.00770	11.5
103.05412	3.4
104.08911	2.2
105.07011	2.3
107.04912	15.3
107.08535	11.2
111.04401	100.0
117.01801	2.3
119.04893	16.1
121.02825	13.0
121.06448	3.4
123.04358	2.7
125.05986	2.4
129.05440	38.2
131.04877	3.7
133.06442	2.3
135.04369	3.4
135.08006	9.3
135.11639	2.0
136.08337	3.3
139.03856	53.0
145.02794	2.6
145.06412	3.0
147.04356	42.6
148.04709	4.1
153.09093	3.0
153.12616	6.9
157.04932	27.2
161.05949	2.1
163.03842	12.7
167.06947	10.0
168.07314	2.1
175.05972	22.8
175.07309	3.2
177.05403	4.5
181.04890	12.3
181.06369	3.8
191.03250	2.1
191.06929	7.5
206.25163	2.0
207.07948	4.1
209.05959	1.9
209.07982	4.0
223.07503	2.5
225.09013	2.9
231.51018	1.9
235.07411	12.6
238.99228	1.9
239.06943	2.8
241.08504	3.6
251.07002	7.5
252.07732	3.3
253.08463	8.0
259.09521	3.1
263.06921	19.5
265.08441	2.4
273.05927	32.6
277.08459	2.6
279.06366	8.9
280.07123	9.7
281.04871	1.9
281.07913	15.9
281.11417	2.6
291.06281	4.1
307.13132	8.6
316.70819	2.2
325.14334	3.6
363.36047	2.0
377.13651	11.2
387.12332	3.3
405.13147	23.7
447.10983	15.2
561.17212	4.5
579.18036	12.6
591.89990	2.2
597.19006	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	805.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23208	0.5
69.03368	1.2
71.47498	0.6
71.61944	0.6
83.04946	0.7
85.02879	2.7
97.02820	2.2
98.97587	0.8
109.02869	0.8
111.04387	0.8
119.01910	0.7
119.14207	0.6
127.03872	1.6
135.04425	0.6
147.04381	1.6
152.73479	0.7
154.94127	0.7
155.00548	0.8
155.01836	1.1
156.97456	3.4
161.02942	0.9
163.03862	1.4
172.95189	1.0
173.02882	2.8
174.98454	4.3
180.97375	8.1
185.02930	3.8
198.98468	100.0
199.98546	1.4
201.00221	0.9
203.03874	0.9
210.98543	2.4
214.96286	1.5
216.99521	51.6
217.99606	0.9
221.05917	3.1
221.92860	0.7
228.99506	8.7
234.98419	4.4
240.99489	10.3
245.04991	4.7
247.00502	1.4
249.05348	4.5
252.99390	2.9
259.00592	8.4
264.99615	0.9
267.06445	1.1
271.00510	0.8
277.01636	2.4
277.04865	2.6
283.00476	8.0
295.05911	11.2
301.01627	14.5
313.06931	0.9
319.02634	4.6
323.05481	8.8
360.04532	0.7
463.06790	38.9
464.07251	1.2
479.04330	1.4
481.07645	0.8
722.01935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	26.2
57.07048	2.7
58.53071	1.8
59.04987	3.0
61.02892	4.0
61.85546	2.3
63.84021	1.8
64.19439	2.1
65.03913	2.9
67.05157	3.9
67.05482	72.6
69.03389	9.3
69.07040	28.6
71.01318	1.8
71.04971	17.7
73.02895	2.5
76.94080	1.8
77.59972	1.8
79.05456	70.2
81.03382	26.9
81.07024	75.5
83.01308	14.2
83.04953	22.6
83.08590	32.8
85.02861	10.0
85.06532	2.9
91.05443	44.4
93.07007	70.0
95.04922	13.7
95.08562	27.8
97.02835	3.2
97.06526	17.8
97.10143	8.7
105.07006	36.5
107.04944	16.1
107.08558	41.3
109.06470	17.5
109.10118	40.3
111.04410	3.1
111.08061	5.2
117.06984	27.1
118.30895	2.4
119.08545	28.3
121.06462	4.5
121.10112	19.5
123.08047	15.3
125.05927	2.7
125.09562	8.9
129.06985	4.7
131.04851	2.9
131.08525	13.0
133.10074	16.5
135.08017	8.2
135.11650	24.1
135.69295	2.8
137.09517	3.9
145.10083	31.8
147.11661	4.1
149.09564	9.3
149.13226	8.3
150.38498	2.2
153.12656	3.8
155.08470	2.8
159.11646	10.4
161.13126	2.2
163.11125	37.9
171.11725	3.2
173.11710	8.2
185.13028	2.1
187.10898	2.6
189.11133	4.2
192.44504	2.1
195.13689	2.3
209.11661	2.8
227.12656	9.2
229.14264	21.4
229.19730	2.6
257.18967	10.1
269.17331	2.6
275.19934	13.7
283.15262	57.8
349.23495	11.3
413.21674	8.0
437.25314	44.2
459.27237	3.6
468.55994	2.3
477.28275	100.0
539.33502	4.2
557.34607	27.8
575.35474	3.7
589.36920	13.3
621.32349	16.1
631.92999	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	13.2
59.04985	3.3
61.02898	2.3
65.03897	1.9
67.05481	60.9
69.03382	3.2
69.07039	21.3
71.04967	16.8
71.75105	1.3
79.05465	59.1
81.03389	21.9
81.07026	70.2
83.01306	11.3
83.04960	21.5
83.08591	23.3
85.02869	9.7
85.06505	1.7
86.09660	6.4
89.89888	1.5
91.05441	39.4
93.07003	66.6
95.04939	13.5
95.08566	26.7
97.02848	3.7
97.06501	15.6
97.10123	6.5
99.04382	2.4
99.08025	2.1
101.32063	1.5
105.06999	33.4
107.04949	12.1
107.08566	41.7
109.06460	11.1
109.10113	15.2
111.08041	6.3
117.06971	25.0
119.08543	21.8
121.06456	6.3
121.10096	18.1
123.08026	10.6
123.11668	2.4
125.05911	3.5
125.09595	6.4
129.06947	7.1
130.07774	2.1
131.08536	22.5
133.10107	14.8
135.08070	3.3
135.11665	19.4
137.09581	3.4
143.08621	1.7
145.06453	2.2
145.10060	24.3
147.08000	2.3
147.11652	7.0
149.09581	11.0
149.13213	9.4
153.12715	2.0
155.08551	2.8
157.10016	2.7
159.11655	9.8
163.11110	31.7
165.09088	1.9
173.09561	3.5
173.11742	2.7
173.13194	2.8
177.12675	3.7
181.12273	1.9
195.13715	2.6
205.12042	1.6
209.11661	6.5
211.13361	1.8
219.55936	1.7
226.25110	1.8
227.12698	6.2
229.14314	7.1
236.09793	1.7
257.18939	2.8
275.19937	10.4
283.15283	43.8
349.23575	10.0
413.21512	3.6
437.25134	12.7
459.27231	3.0
477.28366	100.0
478.28406	3.0
502.84885	1.7
539.33630	3.0
551.74011	2.2
557.34430	26.1
575.35602	2.4
589.37396	14.0
621.32495	22.9
728.80359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	18.1
59.04990	1.6
59.37738	1.4
64.50810	1.8
67.05154	2.5
67.05481	45.3
69.03416	14.3
69.07041	31.3
71.04971	2.4
79.05017	2.0
79.05464	43.5
81.03387	78.4
81.07027	34.1
83.04942	14.6
83.08591	24.1
85.02859	3.0
91.05450	45.4
93.07013	38.7
95.04934	32.3
95.08572	17.4
97.02837	13.8
97.06491	7.2
97.10130	16.4
105.06982	34.1
105.51878	1.6
107.04949	12.8
107.08556	20.0
109.06489	7.9
109.10128	15.0
111.04379	2.6
111.08044	9.5
116.19744	1.5
117.06985	10.3
119.08551	26.4
121.06410	8.5
121.10070	12.1
123.08034	3.7
125.09579	12.5
126.16753	1.9
129.06938	13.1
131.08528	16.2
133.06407	6.5
133.10077	14.8
135.08020	2.7
135.11592	2.4
137.09602	4.0
142.07756	1.7
145.10080	4.2
147.08014	8.5
147.11632	12.6
149.09612	6.9
151.11115	2.8
157.10085	11.2
159.07953	2.4
159.11603	3.4
161.09518	2.4
161.54712	1.7
163.11197	2.6
171.11606	2.1
175.11131	10.6
189.11208	2.9
193.12164	15.9
214.03210	1.7
219.13690	1.9
223.13235	20.9
227.12601	3.1
249.14813	2.9
253.14371	2.1
256.65442	2.2
267.13071	2.8
267.15817	58.8
273.18442	11.8
291.19431	78.5
303.35675	1.7
333.06995	2.0
365.23123	32.3
445.25385	3.8
459.27078	3.9
476.30524	3.2
477.28580	2.4
483.30441	2.5
539.33459	9.0
551.97491	2.3
556.36890	2.4
557.25970	3.2
557.34534	100.0
558.34552	3.5
737.21136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	18.3
57.07063	58.8
67.05485	99.8
67.39651	8.0
69.07040	44.4
71.08602	31.2
79.05455	56.3
80.05332	8.7
81.03380	9.0
81.07016	100.0
83.04902	9.9
83.08590	15.3
85.10145	18.6
87.94903	7.7
88.89069	8.0
91.05448	44.6
93.06993	63.5
95.08566	65.8
97.10101	9.9
105.06996	47.0
107.04941	8.7
107.08558	32.4
109.10121	14.2
117.06974	16.3
117.83739	7.7
117.87207	8.4
119.08537	18.9
121.10091	9.6
131.08527	14.5
133.10112	14.6
145.10031	12.4
149.13237	10.4
184.21155	9.3
204.79430	9.0
269.17419	17.4
275.19925	10.5
313.27316	83.6
328.41132	8.3
349.23611	36.4
493.38498	11.3
507.40445	88.7
587.46277	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	804.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86486	1.9
57.03418	31.2
59.04965	7.6
59.21582	1.5
61.02901	10.9
61.77645	2.0
67.05480	100.0
69.03396	4.2
69.07043	14.4
71.01312	2.3
71.04965	14.7
73.02892	3.0
79.05462	42.4
81.03391	27.2
81.07026	48.4
83.01323	13.8
83.04958	22.7
83.08595	29.4
85.02882	28.2
85.06504	2.9
87.04435	3.2
88.32574	1.9
91.03922	3.1
91.05443	25.7
93.07012	47.1
95.04922	16.5
95.08578	22.4
97.02835	10.4
97.06500	12.2
97.10136	18.1
99.04391	3.3
105.07007	21.2
107.04909	14.0
107.08566	27.4
109.06467	9.3
109.10123	57.5
111.08077	2.8
113.45751	2.1
117.06989	11.7
119.08531	21.0
121.06438	2.5
121.10106	11.7
123.08036	10.2
125.05926	3.0
125.09590	11.7
129.06903	1.9
130.07721	2.7
131.08504	4.8
133.10100	2.9
135.08014	4.1
135.11649	18.8
137.09560	3.1
145.10078	22.7
147.08015	3.9
153.12677	4.6
155.10600	2.7
163.11142	31.5
173.09561	4.9
173.11707	15.9
174.01585	1.9
181.12193	3.9
184.07362	2.2
191.10704	4.0
199.13275	3.9
209.11661	12.9
227.12714	8.6
229.14299	35.4
267.15952	2.3
279.13556	2.3
283.15295	76.1
301.16470	9.3
308.86624	1.9
331.33527	2.1
399.23462	11.0
407.24283	3.1
425.24960	2.1
437.25134	26.2
439.82523	2.6
475.26428	2.7
509.26993	13.8
607.34509	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.2
57.07047	2.1
61.02910	3.4
61.08441	1.4
64.89714	1.7
67.05479	11.2
69.03428	2.6
69.07042	2.6
71.70491	1.5
73.02884	2.3
79.05455	8.9
81.03396	3.3
81.07044	11.0
83.04984	2.0
85.02885	6.9
86.09701	4.3
91.05452	8.7
92.08668	2.4
93.07003	10.2
95.08576	2.9
97.02844	4.3
101.02384	2.2
105.07032	2.6
107.08617	2.5
117.32227	1.6
119.08549	2.0
184.07343	6.6
226.33710	1.8
268.40945	2.0
295.47641	2.0
477.76666	2.0
551.27911	6.6
801.47205	100.0
802.47888	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	802.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09476	3.4
57.03415	16.2
57.07056	3.3
59.04983	2.5
61.08488	2.5
65.74494	2.9
67.05482	96.5
69.03409	4.3
69.07044	22.2
71.04969	4.9
71.49654	2.8
79.05464	100.0
81.03387	15.6
81.07025	87.2
83.04948	21.5
83.08589	20.0
91.05445	73.0
92.08723	6.2
93.07002	84.1
95.04931	27.6
95.08570	35.2
95.96828	3.1
97.06510	17.1
97.10127	6.2
105.06999	58.8
107.04905	6.0
107.08567	35.4
109.06477	13.1
109.10106	33.6
111.08057	3.6
117.07014	24.8
119.08553	36.5
121.06473	3.3
121.10106	17.7
123.52464	2.7
129.06984	12.7
130.21916	3.4
131.08539	13.9
133.10098	21.7
135.11679	6.8
143.08510	7.2
145.10078	13.7
147.08035	4.0
147.11658	35.5
149.09541	3.4
149.13246	6.7
150.14960	3.3
157.09962	3.0
157.82648	2.9
159.11580	6.5
161.09477	3.9
161.13206	7.3
171.11658	21.0
173.11685	4.1
207.13715	15.2
219.03911	2.9
223.04688	3.0
229.14264	5.6
255.10776	3.3
257.18878	3.7
275.20026	15.3
281.17407	38.7
304.60168	3.0
349.23514	4.5
370.47763	3.5
435.27365	38.7
475.30350	92.0
555.36652	33.3
587.38727	6.9
619.34009	5.3
686.59692	3.0
757.36053	3.3
796.84930	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	802.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	4.1
58.95451	2.6
65.03905	2.4
67.05476	52.7
69.07036	6.1
71.07353	22.2
79.05444	33.7
81.07021	43.0
83.04982	3.0
86.09666	99.4
86.10191	3.9
91.05442	15.8
93.06993	30.4
95.08575	31.1
95.61367	2.7
105.07001	11.8
107.08557	11.7
107.74368	2.8
109.10136	5.2
118.73660	2.6
121.10081	5.6
124.99948	4.2
133.10091	3.6
146.96965	4.2
146.98135	95.0
158.73856	3.0
184.07291	4.3
291.84885	3.0
306.71048	3.0
311.97989	3.6
432.55286	3.0
557.21625	3.5
597.48340	5.3
619.46826	84.1
743.46002	85.0
802.53278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06576	0.5
60.08144	8.1
67.05466	0.6
69.07026	0.4
71.07334	4.2
81.07003	0.8
84.77842	0.5
86.09676	46.9
87.83680	0.4
91.05473	0.4
95.08552	0.5
98.98430	4.0
104.10691	2.9
117.59505	0.4
124.99959	33.5
142.89879	0.4
143.01035	0.6
184.07278	100.0
195.00256	0.9
221.43855	0.6
236.01808	0.4
273.01511	0.5
291.63318	0.6
378.04556	0.6
626.44208	2.3
764.76611	0.5
780.55078	10.5
798.46161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07035	2.2
60.08140	8.9
60.32713	2.0
63.29323	1.8
67.05484	27.1
69.07049	5.1
71.07351	18.3
79.05449	26.0
81.07017	17.3
86.09680	100.0
91.05446	14.0
93.07024	33.3
95.04942	3.0
95.08566	15.0
105.06999	10.0
107.08564	9.2
109.10122	4.6
112.39121	2.1
117.06953	2.3
119.08546	3.6
121.10125	8.4
124.99956	26.0
127.04752	2.0
130.97234	2.2
131.08534	3.6
135.11665	2.4
146.96974	3.4
146.98128	71.5
184.07263	59.7
617.45135	57.4
658.85272	2.2
741.44397	52.4
782.56012	3.3
800.51678	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	798.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	0.3
56.38855	0.2
60.07833	0.3
60.08139	8.3
63.75986	0.2
67.05477	0.3
71.07342	4.1
75.58729	0.2
79.69764	0.2
82.85603	0.2
86.09672	43.4
87.09971	0.4
88.09554	0.2
88.94352	0.3
91.05392	0.2
93.07053	0.3
95.32135	0.2
98.98434	3.5
104.10125	0.2
104.10712	2.4
105.14461	0.2
116.99481	0.3
120.85009	0.3
124.99953	29.7
143.00946	0.4
184.07275	100.0
185.07591	1.1
758.74371	0.3
780.41351	0.4
780.55151	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	796.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08140	9.0
67.05487	1.1
71.07349	6.9
72.60522	0.8
74.88310	0.8
79.05457	1.1
81.07000	1.6
86.09675	50.4
86.10201	1.7
91.05451	0.9
95.08585	1.1
98.98416	4.0
104.10696	4.3
105.07020	1.2
121.10160	0.9
124.99960	33.8
136.62958	1.2
168.33461	0.9
184.07278	100.0
499.45282	0.9
622.96979	0.9
796.54932	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	797.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.7
61.02910	7.3
62.90965	0.4
67.05482	7.7
69.03397	4.1
69.07046	1.8
71.04947	0.4
73.02882	5.1
73.03196	0.3
79.05476	5.6
81.03397	1.9
81.07031	6.2
83.08597	0.6
85.02873	7.6
90.61854	0.4
91.03929	5.0
91.05455	2.7
93.07014	5.7
95.04956	0.9
95.08581	4.7
97.02859	5.8
99.04407	0.9
101.02352	2.6
103.03905	0.6
105.07027	2.3
107.08563	3.2
109.10139	2.5
115.03874	0.4
117.06990	0.4
119.08557	0.5
121.10129	2.6
127.03932	0.9
131.08537	0.9
135.11664	0.9
138.03664	0.4
145.04958	0.5
145.10159	0.6
147.11610	0.5
159.11655	0.4
174.82387	0.4
185.04251	0.5
187.18454	0.4
243.08424	2.4
257.09146	0.4
314.40121	0.4
335.25793	1.7
366.34445	0.5
478.66031	0.5
519.29114	13.6
768.08960	0.5
797.51471	100.0
798.51471	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	796.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05004	0.4
60.08146	7.6
67.05495	0.3
67.64587	0.2
69.07043	0.3
71.07354	4.8
73.46567	0.3
74.61700	0.2
81.07021	0.5
86.09679	45.3
93.07043	0.3
95.08551	0.3
98.98436	4.1
104.10691	2.5
124.99960	34.7
126.93345	0.3
143.00995	1.2
176.16026	0.3
184.07285	100.0
185.07571	0.4
224.88773	0.3
299.99246	0.3
426.63437	0.4
538.49988	0.4
572.54724	0.3
666.73712	0.3
778.53400	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	796.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.3
60.07877	0.4
60.08142	9.0
67.05473	0.6
69.76660	0.3
71.07336	4.3
72.46017	0.3
79.67421	0.3
80.23808	0.3
81.07013	0.5
84.70164	0.3
86.09673	47.2
87.09995	0.6
93.06992	0.5
98.98409	4.5
104.10706	2.2
117.71021	0.3
124.99950	35.7
143.00998	0.7
153.18864	0.4
159.34930	0.3
183.60909	0.3
184.07269	100.0
185.07590	1.5
188.10123	0.3
235.14885	0.4
245.66121	0.4
500.65131	0.4
581.29993	0.3
624.42377	0.5
706.80042	0.4
717.59943	0.4
778.53156	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	795.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	3.4
61.02905	15.8
63.68532	3.3
65.93396	3.5
67.05486	15.0
69.03423	4.0
71.08628	5.0
73.02907	7.8
79.05476	4.1
81.03394	4.4
81.07014	15.2
81.98257	3.4
85.02883	4.4
91.05430	5.6
93.07028	7.2
95.08581	6.3
97.02837	6.6
109.10168	5.9
180.16275	3.4
184.07259	4.9
345.07977	4.9
413.17361	6.3
430.46176	4.1
492.57089	4.2
519.29059	8.1
547.30347	4.1
691.40063	100.0
794.40204	5.5
795.42334	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	796.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	25.3
57.07053	4.7
60.39740	2.0
61.02896	4.5
62.76339	2.1
67.05482	94.9
69.03391	4.7
69.07043	33.1
71.04981	3.8
73.02900	4.2
79.05466	100.0
81.03395	11.3
81.07027	84.6
83.04967	8.5
83.08591	10.5
85.02872	3.3
91.05446	62.3
91.35754	2.0
93.07010	97.1
95.04933	15.6
95.08573	44.5
97.02837	4.2
97.06490	11.8
99.08019	3.2
103.47659	2.0
105.07001	43.6
107.04883	3.2
107.08566	42.5
109.06496	9.2
109.10139	22.3
112.27459	2.3
113.58822	2.2
117.06967	19.8
119.08522	33.2
121.06427	3.7
121.10104	37.7
123.11687	4.5
129.02751	2.0
129.06941	5.2
130.07787	2.5
131.08533	32.4
133.10091	19.4
135.08044	3.6
135.11658	15.7
137.09604	2.6
143.08525	3.4
145.10077	21.5
147.11613	14.3
149.09554	11.5
149.13164	10.4
157.10143	5.0
159.11636	9.4
163.11124	3.4
169.10114	2.8
171.11621	2.9
173.13199	11.7
183.11565	2.7
185.13193	3.2
215.17908	4.8
233.19016	2.6
255.15857	5.1
269.17358	14.0
272.14294	2.3
275.19925	13.0
307.22543	36.4
308.22964	2.3
309.20319	3.1
335.25775	13.3
349.23630	14.6
356.10349	2.6
365.58524	2.7
423.28281	2.5
487.33557	8.9
501.35684	40.9
507.15353	2.5
541.38580	8.5
581.42029	17.8
595.44177	2.3
599.42529	5.2
616.79407	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	795.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	4.0
57.07047	1.2
57.76518	0.8
61.02892	8.5
67.05482	8.4
69.03398	4.3
71.08595	1.1
73.02884	6.7
73.15093	0.8
74.04412	0.9
79.05446	5.4
80.03825	0.8
81.03391	1.7
81.07017	5.5
83.04976	1.1
83.08565	1.0
85.02888	8.1
86.09671	1.8
87.04428	3.4
91.03918	5.0
91.05460	1.9
93.07004	5.6
95.08572	4.8
97.02845	5.6
101.02372	1.7
105.07012	1.7
107.08577	1.8
109.10132	5.5
111.04404	1.6
119.08567	1.3
135.33060	0.9
143.26039	0.9
179.25574	1.0
179.62090	0.9
184.07251	4.7
201.25615	0.9
243.08261	1.2
251.29616	0.9
288.65070	0.9
413.17416	6.1
502.30612	1.1
519.29114	11.8
535.39618	1.1
691.40033	100.0
692.39795	2.1
719.15363	1.2
772.18805	1.1
794.41266	1.3
795.43323	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	795.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	3.1
57.07066	2.4
61.02894	5.6
67.05487	5.1
69.03404	3.0
69.07043	3.2
71.08595	5.8
71.91903	2.1
73.02890	4.4
79.05444	4.6
81.07016	6.1
85.02892	4.9
87.04436	6.2
89.05993	4.4
91.03924	3.0
91.05411	3.2
95.08569	10.8
97.02843	3.8
105.06978	2.8
109.10126	3.7
111.04382	2.8
111.91599	2.5
121.10047	3.0
184.07310	4.0
203.14307	2.6
270.06918	2.5
347.61823	2.5
408.33978	2.3
413.17441	9.5
519.29248	14.3
533.64789	2.8
691.39917	100.0
795.43616	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	795.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	2.2
61.02904	8.9
62.24905	1.6
67.05486	7.3
69.03414	3.5
70.06551	1.9
73.02882	4.3
74.98149	1.5
79.05465	6.5
79.28776	1.5
81.03393	2.3
81.07041	7.7
83.04951	2.9
83.08645	1.6
85.02904	8.5
86.09685	1.9
91.03924	4.0
91.05450	2.5
93.07045	4.4
97.02872	8.7
102.71226	1.7
107.08577	2.5
107.89902	2.1
119.08446	1.8
124.99970	3.8
131.08517	1.9
133.49480	1.7
147.11739	1.8
149.02341	10.1
149.30360	1.8
150.02704	1.8
184.07272	3.4
185.04239	2.9
191.33821	1.8
193.04826	3.1
200.20084	3.2
293.33813	2.3
301.09006	10.6
373.11069	3.4
383.16946	2.5
385.18390	2.7
433.25638	2.2
469.20590	7.7
541.22681	2.4
602.30908	1.8
622.16687	2.2
667.32874	7.1
709.34125	10.3
777.40637	4.4
794.39490	2.5
795.41217	100.0
796.41254	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	795.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	1.3
71.49010	0.4
79.05437	0.6
90.01923	0.6
91.05476	0.8
92.62726	0.5
93.07013	0.5
108.79411	0.6
111.04431	1.0
125.54305	0.6
126.13982	0.5
188.85509	0.5
234.93227	0.6
281.13687	0.6
283.15674	0.7
320.78238	0.7
413.17917	0.7
499.00970	0.7
535.40179	0.7
691.39978	4.3
705.36816	0.7
795.42639	100.0
796.43109	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	795.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40594	0.8
57.03416	1.3
57.79011	0.6
59.05000	0.9
61.02912	5.2
67.05495	5.0
69.03427	3.9
70.41103	0.7
71.04987	1.0
73.02892	5.4
79.05476	6.0
81.03401	4.5
81.07047	5.4
83.08595	1.1
85.02874	6.1
86.09698	1.3
91.03910	2.8
91.05466	4.5
93.07026	5.5
95.04960	1.1
95.08599	1.8
97.02881	3.5
101.02356	1.3
105.07035	4.2
107.08611	4.0
109.10166	1.0
119.08553	1.3
119.86203	0.8
121.10130	4.4
125.00018	1.6
131.08446	1.0
133.10165	4.2
142.07852	0.9
144.73857	1.0
147.11690	3.8
149.09563	1.7
157.10107	0.9
184.07346	4.6
185.04134	1.1
193.12242	1.7
225.14787	1.4
243.08467	4.1
248.66118	0.9
283.15207	5.4
301.09042	1.7
464.83041	0.9
501.22876	17.9
502.23495	1.1
535.28558	7.3
551.75397	1.2
573.25226	1.6
784.53802	0.9
795.44867	100.0
796.45288	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	794.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.4
57.07033	0.2
58.06579	0.2
60.08144	9.1
65.55608	0.2
66.82004	0.2
67.05468	0.9
69.07039	0.8
70.06564	0.2
71.07346	5.9
71.08586	0.2
79.05461	0.6
81.03383	0.2
81.07005	0.8
83.08606	0.3
86.09676	47.5
87.04433	0.2
87.10001	0.2
87.87736	0.2
91.05461	0.4
92.09280	0.2
93.07006	0.4
95.08560	0.3
98.98426	4.3
104.10703	3.2
105.06989	0.3
107.08578	0.2
109.10130	0.4
124.99960	36.4
133.74823	0.2
143.01030	0.8
145.10071	0.3
168.11928	0.2
177.71622	0.2
184.07281	100.0
185.07738	0.7
222.60529	0.2
249.34871	0.2
252.92430	0.2
294.70483	0.2
341.30264	0.2
391.24820	0.2
481.37762	0.2
534.31372	0.2
587.46118	0.6
794.53088	8.8
795.53760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	5.1
60.88965	0.7
61.02898	9.2
64.32431	0.7
67.05486	10.6
69.03406	6.4
69.07047	4.2
71.01326	0.8
71.04980	0.8
73.02889	7.3
73.98302	0.8
79.05463	9.6
81.03384	6.3
81.07032	8.7
83.04958	4.1
83.08582	1.5
85.02885	8.4
86.09692	4.5
91.03895	1.9
91.05437	8.4
93.07010	10.2
95.04950	3.3
95.08575	4.3
97.02869	5.9
97.06524	4.7
97.10130	1.2
101.02340	1.8
102.30345	1.0
105.07025	4.9
107.04893	1.0
107.08568	5.8
109.10129	1.6
117.06987	1.5
119.08549	4.2
121.10134	1.8
124.99984	3.5
127.03833	1.2
129.07002	1.0
133.10092	4.0
135.11627	7.5
143.41011	0.9
145.10138	1.7
147.04388	1.5
147.11688	1.5
156.12346	0.8
157.10168	1.2
161.76096	0.8
163.03854	1.0
163.11082	1.1
164.88072	0.9
167.07089	1.0
173.13225	1.1
181.09418	1.0
184.07272	12.4
243.08336	2.0
255.15947	4.2
257.59738	0.9
301.34622	0.8
349.19821	6.6
435.27161	7.1
436.27722	5.8
467.19034	1.6
469.20215	6.6
480.99097	1.0
498.09979	0.9
532.97198	1.1
567.27826	4.6
569.29028	4.1
569.37665	1.0
621.23193	1.0
772.06525	1.0
795.41095	100.0
796.42133	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	0.7
58.53442	0.3
60.08141	8.6
66.88125	0.4
67.05483	3.0
69.07043	0.7
71.07342	5.3
73.43849	0.3
77.37398	0.3
79.05447	1.8
81.07018	2.2
83.08589	0.5
86.09674	48.2
87.04425	0.7
87.26170	0.4
91.05433	0.8
91.51453	0.4
93.06988	1.7
95.08558	2.1
98.98428	5.2
104.10733	2.8
105.06999	0.4
107.08552	0.6
109.10160	0.5
121.10043	0.5
124.99961	32.9
132.27899	0.4
133.26114	0.4
143.00987	0.7
159.77107	0.4
184.07281	100.0
194.64587	0.4
218.94000	0.4
335.25766	0.5
337.27274	1.4
776.52191	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	794.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	4.8
67.05469	2.3
68.34398	0.4
69.03384	2.9
69.07020	0.5
71.04961	0.9
73.52268	0.4
79.05449	5.9
80.62307	0.5
81.03389	4.0
81.07018	0.8
82.04140	0.6
83.04890	0.4
85.02864	5.7
91.05450	7.0
93.03366	0.7
95.04929	5.1
97.02855	0.9
97.06478	2.0
102.04649	0.6
103.05435	24.7
105.03333	2.7
105.04462	0.7
105.07001	10.5
107.04913	10.1
109.02814	0.5
109.06445	1.0
110.03615	2.5
110.17366	0.5
111.04398	3.2
115.05420	9.0
117.06969	6.4
118.04105	5.8
119.04899	8.3
119.08530	0.7
120.89710	0.4
121.06435	2.8
122.03579	0.9
123.04376	5.6
124.05149	2.6
125.05968	4.3
128.06171	0.7
129.06940	2.8
130.04103	0.8
131.04886	24.8
131.08519	1.8
132.05676	1.2
133.02815	5.2
133.06456	12.8
134.03519	0.7
135.04370	2.3
135.07994	2.3
137.05948	8.7
138.03015	0.9
139.07559	0.5
141.06903	1.0
142.02586	1.9
143.04848	1.9
143.05980	0.8
144.05627	2.6
145.06458	10.1
146.03558	2.3
146.07195	0.6
147.04353	6.7
147.07983	3.2
148.05164	11.5
149.05962	3.4
151.03847	4.3
151.07513	3.3
152.04587	2.1
153.05426	4.7
155.05963	0.7
155.07047	0.6
155.75577	0.5
156.05673	0.8
157.06372	1.7
158.07208	0.7
159.04382	0.9
159.07968	3.8
160.05096	2.4
161.05920	15.8
162.06677	1.0
163.03879	1.8
163.07484	29.2
165.05408	2.7
165.08940	0.6
167.06976	80.5
170.09500	0.5
171.04324	0.8
171.06485	6.1
172.05070	0.9
173.05913	9.2
174.06746	0.8
175.07466	6.2
176.04602	3.6
177.05383	2.0
177.09021	1.9
179.03351	0.5
179.07013	5.5
179.08417	1.1
181.04893	98.9
182.05377	0.5
185.05965	0.6
187.07484	5.1
188.04659	0.7
189.05420	1.8
189.09052	0.9
190.06200	2.9
191.06966	100.0
192.07643	0.6
193.04842	0.9
193.08514	4.9
195.06480	3.4
195.08003	0.7
199.07553	0.5
201.05421	3.2
201.08978	0.5
202.06189	0.9
203.06940	4.0
205.08517	7.7
207.06441	1.8
207.10129	2.8
209.08022	2.2
210.06665	0.7
217.08507	4.5
219.06323	0.8
219.08167	0.8
219.10002	4.9
220.07196	0.7
221.07977	1.1
222.06688	0.5
225.07497	2.1
229.08505	1.0
231.06320	0.7
233.08022	6.9
235.07420	2.0
235.09555	6.3
236.08276	0.9
237.09088	0.7
241.08551	1.1
245.08035	2.6
247.07471	0.9
251.06920	0.5
252.07634	0.6
253.08492	0.6
254.09599	0.5
257.08054	0.6
263.09073	28.4
264.07700	0.6
265.08383	1.7
267.10089	4.2
279.10001	1.9
291.06461	0.6
293.07867	0.9
294.08493	0.7
295.09595	0.7
296.10260	0.5
297.11136	3.1
307.09625	1.9
308.06931	0.5
313.10611	0.6
325.10608	4.5
327.12149	0.6
329.10016	0.8
329.13824	1.0
331.11673	0.8
337.10544	0.9
339.12051	1.8
343.48248	0.4
344.12109	0.5
355.11990	0.6
357.13251	7.9
365.13889	0.5
367.11588	2.4
369.13126	2.3
371.14926	0.7
381.12900	0.8
385.12567	11.8
387.14035	1.8
389.15631	1.0
399.14432	4.4
417.15302	35.1
633.18256	0.5
717.13037	0.5
776.10132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.9
57.03410	0.7
59.44867	0.7
60.20963	0.7
64.62913	0.6
65.03911	6.7
67.05472	1.7
69.03389	3.4
74.64194	0.7
78.04655	1.4
79.05447	4.5
81.03355	2.5
82.04166	1.0
85.02866	6.4
91.05441	9.1
93.03357	2.9
93.06993	0.8
95.04908	6.7
97.06469	1.6
103.05430	24.2
105.03374	1.4
105.07003	12.0
106.04108	3.0
107.04918	13.8
109.02879	1.0
109.06480	1.5
110.03635	1.7
111.04398	3.2
112.08134	0.7
113.72067	0.7
115.05425	8.1
116.11482	0.8
117.06978	6.5
118.04129	6.2
119.04890	6.3
121.06477	3.7
122.03586	0.8
123.04390	6.1
124.05125	3.2
125.05939	4.9
128.06177	0.8
129.06963	3.1
130.04095	1.5
131.04884	28.0
131.08524	1.2
132.05687	1.8
133.02763	3.4
133.06438	13.0
133.95345	0.7
134.03552	1.2
135.04364	1.0
135.08006	1.3
136.05226	0.7
137.05949	13.9
138.03065	0.8
138.57784	0.7
142.02599	1.0
143.04855	1.2
144.05620	0.9
145.06445	10.5
147.04361	8.2
147.07915	2.5
148.05139	13.2
149.05949	5.9
151.03889	7.1
151.07462	3.7
152.04581	2.8
153.05452	7.2
155.05914	1.1
156.05721	0.9
157.06439	1.8
159.08012	3.7
160.05148	1.5
161.05901	14.9
162.06544	0.9
163.03905	1.0
163.07486	28.4
164.04205	0.7
165.05458	3.0
167.06982	81.7
168.07355	1.1
171.06482	5.8
173.05920	10.2
174.06676	1.4
175.07492	7.6
176.04674	3.5
177.05408	3.6
178.06186	0.8
179.06935	8.6
181.04890	100.0
181.08350	3.0
185.05847	0.8
187.07480	3.5
189.08963	1.0
190.06157	3.1
191.06963	91.3
192.07581	1.4
193.04863	1.1
193.08574	5.5
195.06435	3.5
201.05415	1.7
202.06189	1.1
203.06981	3.2
205.08528	4.0
207.06473	1.6
207.10097	3.2
209.07990	5.6
217.08531	3.2
219.08176	1.0
219.10106	4.5
227.81146	0.9
233.07985	5.9
234.08746	0.9
235.07607	0.9
235.09514	7.2
241.08507	1.0
245.07996	1.6
247.07362	1.3
249.08777	0.8
263.09061	29.3
265.08456	0.9
267.10025	3.0
269.08121	0.8
280.07156	1.1
289.10495	1.3
295.09525	1.7
297.11005	1.5
307.09262	1.0
309.10727	0.8
325.10547	4.8
327.11902	1.3
339.12189	0.9
357.13141	8.0
367.11438	0.8
369.13132	1.1
385.12631	10.2
387.14160	3.7
389.15656	0.9
399.14188	4.2
417.15256	40.3
516.86426	0.8
551.36658	0.9
598.30969	0.9
709.28101	1.1
755.71857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03775	1.2
57.03413	2.5
57.07056	1.2
58.62474	1.3
59.04988	1.4
59.05575	1.2
61.02908	6.6
63.59312	1.1
67.05479	9.2
69.03401	2.9
69.07051	3.5
73.02885	7.6
78.96732	1.2
79.05477	5.5
81.03396	3.1
81.07006	11.4
85.02871	5.6
91.03938	2.7
91.05448	6.3
92.08707	5.3
93.07001	8.0
95.08579	7.9
97.02847	3.6
97.07653	1.7
97.10213	1.6
105.06976	1.8
105.79258	1.2
107.08585	2.4
109.10143	2.1
110.06178	1.6
111.47755	1.7
121.10181	2.2
123.11627	2.0
131.08556	2.2
134.42686	1.3
135.44635	1.6
135.62804	2.3
136.03995	1.5
149.09630	1.6
184.07309	2.0
216.41350	1.7
236.16995	1.6
285.74011	1.7
297.16623	30.5
335.25827	2.3
353.19089	1.8
471.21036	1.8
515.24463	5.6
519.29413	6.2
793.46716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
61.02910	8.2
61.80891	1.1
62.19919	1.2
67.05489	7.9
69.03421	2.2
69.07056	1.5
71.04981	1.8
73.02900	2.5
79.05482	6.2
81.03407	5.8
81.07038	7.1
83.72148	1.3
85.02892	8.9
86.05136	1.5
91.03973	2.0
91.05463	6.5
93.07029	6.3
95.08585	5.4
97.02911	5.7
97.06503	1.3
105.07016	1.4
107.08600	2.9
111.40791	1.2
119.08603	1.4
129.30946	1.4
131.08574	1.4
133.10109	2.3
135.90070	1.3
165.09193	1.2
203.05489	1.3
243.08333	1.9
245.73267	1.5
297.16608	16.8
402.08398	1.4
515.24573	14.2
519.29303	5.4
580.14398	1.4
720.58929	1.5
793.46832	100.0
794.47113	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	793.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08981	0.7
61.03363	0.7
63.83681	0.8
67.05480	3.1
68.68258	0.8
69.07056	0.8
81.07028	1.8
85.19912	0.7
91.05399	0.9
92.08639	1.6
95.08578	1.7
105.07012	0.9
109.10128	0.8
123.43629	0.7
129.11420	0.8
135.85425	0.8
147.11594	0.8
198.77478	0.7
274.89252	0.8
349.27878	0.8
356.60367	0.9
793.41003	100.0
794.40961	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	793.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.1
61.02907	5.2
67.05483	4.9
69.03426	4.1
69.07040	2.5
71.04953	1.3
73.02907	5.2
74.23454	1.0
77.54544	1.0
79.05457	5.2
81.03397	4.5
81.07048	6.0
83.08604	1.0
85.02900	5.9
86.09679	1.5
91.03919	2.3
91.05463	6.5
93.07022	5.1
93.15702	0.9
95.04983	1.6
95.08610	1.7
97.02873	2.4
97.06501	1.7
101.02344	1.1
105.06984	7.2
107.04935	1.6
107.08586	1.6
117.07014	1.4
119.08524	1.8
121.10114	2.3
133.10138	2.1
145.10114	1.1
147.11755	1.1
149.09610	2.0
157.10092	1.1
179.14212	1.3
184.07312	2.3
226.17264	1.0
243.08405	4.4
251.46313	1.2
255.29007	1.0
283.15033	2.3
315.19162	1.8
339.18427	1.1
341.68390	1.0
501.22882	13.0
533.26953	8.6
793.43121	100.0
794.42859	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	792.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.3
55.05248	1.0
55.05499	24.0
57.03158	0.9
57.03419	19.5
57.07049	3.5
61.02896	5.0
65.03920	3.4
67.05484	97.8
67.08744	0.6
69.03410	1.3
69.07047	25.5
71.04958	1.1
73.02893	0.8
79.05465	60.7
81.07029	87.4
83.04926	3.2
83.08603	10.6
85.02870	3.8
85.06496	1.5
89.34669	0.8
91.03909	0.8
91.05446	34.1
93.07016	69.6
95.04940	7.7
95.08576	63.6
96.08949	0.8
97.02866	1.9
97.06504	4.3
97.10136	2.0
103.05412	0.9
105.04465	1.9
105.07010	30.8
107.08563	38.1
109.06496	1.6
109.10128	27.2
111.08034	1.7
117.06998	9.7
119.08535	23.6
121.10108	26.5
123.11658	10.1
129.06964	1.8
131.08530	18.1
133.10091	18.3
135.07971	0.9
135.11649	19.9
137.13216	1.9
143.08490	1.7
145.10088	11.7
147.11652	11.1
149.09547	1.0
149.13229	9.7
157.10086	1.8
159.11661	11.9
161.13193	9.9
163.14793	5.0
165.33060	0.8
173.13231	7.6
175.14769	4.5
177.16254	1.0
183.11600	0.8
184.03633	0.8
185.13211	1.0
187.14761	3.9
201.16348	2.0
241.19498	1.8
243.21019	4.3
259.20480	7.6
261.22043	17.6
277.21524	0.9
317.24655	1.9
333.24084	5.6
335.25705	100.0
336.25836	1.1
337.27155	7.7
384.14117	1.1
469.31317	0.9
521.43646	1.1
595.46857	17.3
613.48303	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	792.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	21.8
59.01115	16.3
67.05476	29.1
69.07086	16.9
69.42297	16.0
79.05471	45.4
81.07027	76.2
85.37035	21.6
91.05410	26.2
91.28403	17.7
93.06990	100.0
95.08575	30.2
110.40462	17.7
128.92824	18.8
172.55910	20.0
184.07298	37.1
335.25470	33.4
610.24585	24.1
820.35291	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	792.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.7
55.05238	1.9
55.05494	33.8
55.45476	0.8
57.03417	25.9
57.07051	2.3
59.04987	0.9
61.02903	4.6
62.42340	0.9
64.37887	1.1
64.69626	0.8
65.03893	4.0
67.05479	70.9
69.03400	6.7
69.07041	29.0
70.44671	0.9
71.04964	8.2
73.02889	2.1
79.05460	60.7
81.03383	72.9
81.07023	100.0
83.04950	22.8
83.08587	35.7
85.02872	33.3
85.06520	4.3
87.04444	1.1
91.03883	1.5
91.05446	66.9
92.08627	1.1
93.07007	58.9
95.04929	33.2
95.08569	32.4
95.55487	1.0
97.02860	5.5
97.06505	13.0
97.10123	10.5
99.04419	0.9
99.08048	4.3
105.04514	1.2
105.06283	1.9
105.06996	52.0
107.04937	15.6
107.08555	34.5
109.06480	16.1
109.10122	17.3
111.04411	1.8
111.08031	11.9
113.05958	4.2
115.05407	1.3
117.06982	15.6
119.08539	39.4
121.06461	5.8
121.10098	22.8
123.08017	7.9
123.11678	6.8
125.09579	6.8
128.06192	1.3
129.06946	18.7
131.08513	28.1
133.06476	3.9
133.09093	1.2
133.10088	31.1
133.29752	1.0
135.07986	5.3
135.11613	8.9
137.05928	1.1
137.09566	5.5
141.06985	1.1
142.07706	1.7
143.08467	2.3
145.10060	13.9
147.08014	2.4
147.11639	29.7
149.09566	12.6
149.13255	10.3
151.11246	1.4
155.08591	1.1
157.10078	16.9
159.11646	10.7
161.13203	1.3
163.11136	5.9
165.12712	6.8
167.06984	1.5
171.11693	1.5
173.11737	1.6
173.13223	3.8
175.11121	13.7
177.12706	2.2
183.11746	2.0
183.13594	1.0
185.13144	1.2
189.11259	1.3
189.12762	1.2
193.12186	37.9
195.13785	1.3
199.14735	1.1
211.13211	32.3
211.15063	1.5
213.14708	1.1
227.12727	5.1
229.14317	5.0
257.18918	4.3
267.15808	18.7
269.17374	15.1
275.19925	20.7
285.16852	28.9
293.21112	2.2
349.23642	14.9
367.24872	8.3
436.95337	1.0
439.26682	10.7
443.27820	1.4
461.28741	22.8
463.70276	1.0
479.29877	56.1
541.35077	18.6
559.36121	41.1
576.46869	1.1
577.37054	14.8
595.58160	1.1
623.33521	2.4
639.78674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.2
57.03418	2.4
61.02896	6.3
61.63548	0.8
62.17142	0.9
67.05491	7.1
69.03412	4.0
69.07040	1.6
71.04961	6.0
71.07349	0.8
73.02885	4.4
74.23693	0.9
79.05470	5.5
81.03400	4.0
81.07034	6.4
82.39623	0.9
85.02870	6.3
86.09679	5.1
91.03934	1.5
91.05465	5.3
93.07031	6.3
95.04930	1.4
95.08594	4.4
97.02877	5.6
99.04442	1.1
101.02354	1.5
105.07029	1.5
107.08529	1.6
109.10156	4.5
117.07033	1.5
119.08540	1.9
121.10139	1.7
124.99953	3.9
127.03842	1.4
131.08554	1.3
135.11670	2.1
145.10155	2.0
163.11104	1.1
184.07268	12.4
185.04129	1.3
191.97758	1.0
243.08426	4.1
295.15100	1.4
309.53110	1.2
513.23157	10.9
519.29132	4.9
567.51544	1.0
786.80725	1.1
791.45227	100.0
792.45972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61680	4.3
61.02901	5.7
67.05477	22.3
70.38677	5.4
74.91919	4.6
79.05473	10.2
81.07017	6.4
85.02859	6.9
91.05437	9.0
92.09381	10.9
93.07008	22.5
95.08585	13.3
105.06987	9.5
117.07070	5.7
119.08545	6.6
127.46960	5.0
133.10110	6.9
137.12300	5.1
184.07304	7.3
191.44121	4.9
225.57404	6.0
377.06351	5.5
534.90845	5.9
535.28918	8.1
654.04150	6.7
682.55566	5.7
791.52838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	1.3
56.43888	0.6
60.08146	8.4
65.79185	0.6
67.05486	1.0
71.07338	4.0
79.05455	0.7
81.07008	1.1
86.09673	41.5
98.98418	3.3
104.10698	3.0
107.08645	0.7
124.99961	32.5
138.00047	0.7
184.07277	100.0
185.07668	0.8
286.03571	0.7
371.12708	0.8
400.49814	0.7
601.44641	1.0
772.54724	8.2
790.56293	7.8
806.78662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05497	2.2
57.03415	2.8
57.07066	0.9
61.02903	8.3
61.54692	0.5
62.41273	0.5
67.05477	9.6
69.03404	5.1
69.07042	2.8
70.07201	0.5
71.04968	3.6
73.02882	5.9
76.57414	0.5
79.05457	5.8
81.03394	3.5
81.07027	6.7
83.04958	0.7
83.08608	0.9
85.02887	6.1
87.04448	0.7
89.05978	0.9
91.03944	3.2
91.05424	4.8
93.06992	6.1
95.04933	0.9
95.08566	5.4
97.02860	6.3
99.04424	1.3
101.02362	2.4
105.07026	2.8
107.08578	2.5
109.02833	1.2
109.10136	2.2
119.08575	0.9
121.10122	3.2
127.03953	1.2
127.26817	0.6
131.08568	2.8
133.10118	0.7
135.11679	2.4
145.10112	1.3
184.07330	1.3
185.04152	1.0
202.22012	0.6
238.73164	0.6
243.08328	4.0
275.32654	0.5
295.14935	4.8
295.41916	0.6
335.25885	0.8
513.23254	3.5
514.41357	0.6
519.28943	8.0
660.94702	0.7
670.62299	0.6
791.45221	100.0
792.45569	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
58.06556	0.4
58.85154	0.4
60.07877	0.5
60.08144	10.0
63.06456	0.4
69.07029	0.8
71.07345	4.2
81.07021	0.5
86.09673	45.6
91.16683	0.5
93.83414	0.6
98.98402	3.7
104.10699	2.2
114.06875	0.5
124.99963	32.4
136.53867	0.5
184.07275	100.0
213.83571	0.6
421.60760	0.6
601.44604	2.2
690.46515	3.2
772.54114	0.9
790.55548	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	790.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	5.6
55.05240	1.8
55.05494	35.9
55.48304	1.0
57.03415	19.3
57.07056	2.0
59.04996	1.4
61.02927	1.1
67.05479	58.1
69.03397	6.4
69.07045	17.2
71.04961	7.9
73.02893	1.1
79.05461	63.9
79.05921	2.5
81.03379	68.8
81.07023	53.7
83.04948	6.4
83.08587	23.4
85.02877	2.0
85.06493	2.5
91.05441	66.4
92.09303	2.1
93.07000	65.0
95.04928	26.0
95.08569	36.8
97.02859	5.2
97.06483	6.4
97.10126	14.6
99.08033	1.6
103.05488	1.4
105.04472	1.3
105.06995	58.7
105.07681	2.4
107.04920	7.5
107.08552	34.0
109.06480	7.8
109.10125	13.5
111.08052	5.1
115.05424	2.8
117.06976	23.3
119.08538	51.2
121.06474	7.2
121.10108	27.7
123.08035	5.6
123.11672	4.6
125.09577	10.4
128.06195	2.0
129.05414	1.4
129.06963	23.2
131.08521	35.6
133.06427	4.3
133.10068	25.8
135.08026	4.3
135.11655	15.4
137.09567	2.0
139.11186	1.2
141.06973	4.8
142.07735	7.2
143.08502	18.7
145.06476	1.2
145.10083	30.7
147.08006	2.3
147.11635	23.7
149.09583	7.6
149.13235	2.4
155.08461	8.9
157.10072	23.6
159.07996	2.7
159.11617	19.0
161.09535	1.8
161.13219	9.9
163.11159	2.0
165.06831	1.3
167.08553	2.4
169.10091	11.1
171.11595	18.0
173.09589	1.4
173.13158	10.5
173.19565	1.2
175.11214	5.5
175.14737	4.6
179.08487	1.4
181.10077	5.3
183.11694	5.6
184.07315	2.7
185.09525	1.7
185.13196	10.9
187.11110	1.5
187.14774	4.8
189.11156	5.0
193.10387	1.5
193.12070	8.0
195.11693	5.3
197.13184	6.1
199.14754	8.2
201.12762	2.1
206.85924	1.4
207.11594	1.9
209.13174	5.3
211.14915	1.4
219.05156	1.1
227.12714	6.1
240.26813	2.5
241.19331	2.6
251.17769	1.3
259.20392	13.0
267.15738	13.6
283.20422	1.4
297.21625	1.6
299.23538	5.0
321.21609	1.6
325.21487	1.4
333.24396	8.2
357.24118	1.3
403.25055	1.6
421.25638	7.3
433.30847	9.8
435.27124	4.9
451.31845	8.5
469.32889	5.6
496.04004	1.4
507.34589	1.8
517.35004	2.2
517.47430	1.3
525.35516	45.4
526.35913	1.9
539.00238	1.3
539.62939	1.4
543.36627	100.0
544.36932	2.1
557.37982	10.1
575.39252	17.7
609.38361	1.4
633.36926	1.6
687.40906	1.9
800.44043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.9
55.05499	48.2
55.05765	2.1
57.03421	23.2
57.07046	4.6
59.04983	37.6
61.02898	3.7
61.23109	1.0
65.03912	3.8
67.05483	100.0
69.03404	5.6
69.07050	18.1
71.04968	16.1
71.08602	1.7
79.05005	2.0
79.05466	52.6
81.03384	7.7
81.07029	63.5
83.04953	5.5
83.08588	15.8
85.02861	5.0
85.06516	5.3
86.09681	2.3
87.04440	42.8
89.05993	1.0
91.05453	23.2
92.05722	0.9
93.07014	43.1
95.04913	7.0
95.08573	39.0
95.09062	1.0
96.67073	1.0
97.02851	4.6
97.06487	3.8
97.10129	16.3
97.38425	0.9
99.04426	17.5
99.12370	0.9
104.75554	1.0
105.06999	17.6
107.04891	1.3
107.08568	28.4
109.06483	1.5
109.10127	45.8
111.04448	1.1
111.08053	1.8
117.07013	7.7
119.08543	15.8
121.06513	1.0
121.10130	16.7
123.08064	1.7
123.11638	2.0
124.99922	1.6
125.09592	11.0
128.72137	1.0
129.07001	2.0
131.08528	10.8
133.10071	7.7
135.11630	10.0
137.09538	2.0
143.08553	1.1
143.10497	0.9
145.10074	6.4
147.11671	4.9
149.09627	1.2
149.13246	1.7
155.10594	1.2
157.10088	1.5
159.11639	2.3
161.13184	2.0
163.11115	4.3
163.14771	1.2
173.11685	7.0
173.13194	3.7
175.14836	1.3
184.07303	8.4
193.12219	1.0
193.77870	1.0
199.13235	5.6
203.68715	0.9
211.13342	1.1
223.13147	1.3
227.12700	2.1
229.14223	22.5
241.14265	2.2
243.20969	1.3
257.13733	1.3
261.22049	7.5
267.15781	1.5
315.17807	7.7
335.25693	39.5
363.25192	1.7
459.34802	1.7
477.35501	16.7
489.35535	33.0
491.37189	2.2
543.36639	3.8
564.38983	2.1
575.38989	4.3
593.39838	4.3
613.47766	1.3
631.48529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	8.8
55.05247	2.2
55.05500	54.6
57.03178	1.9
57.03422	27.6
57.07037	2.1
59.04982	32.0
60.78305	1.4
61.02888	2.5
67.05486	100.0
69.03391	3.1
69.07043	28.1
71.04965	16.5
79.05466	55.4
81.03400	6.2
81.07031	63.6
83.04945	6.3
83.08591	21.0
83.47021	1.8
85.02859	7.6
85.06497	2.1
86.09678	7.6
87.04436	39.4
89.05970	2.6
91.05452	27.8
93.07006	40.5
95.04924	7.6
95.08578	37.1
97.02802	2.5
97.06448	5.1
97.10143	21.4
99.04427	22.7
105.07014	18.0
107.04886	1.8
107.08567	27.8
109.06507	5.9
109.10127	41.2
111.04420	2.4
111.08031	6.0
117.06978	11.3
119.08527	17.9
121.10107	13.4
123.11652	2.0
124.99966	3.3
125.09588	14.0
129.06982	1.7
131.08557	13.9
133.10089	8.7
135.11653	9.4
143.08556	1.5
145.10091	8.0
147.11655	3.5
149.13246	2.7
159.11632	1.9
161.13184	2.9
163.11130	2.9
171.11644	1.9
173.11694	7.3
173.13106	1.8
183.53189	1.9
184.07350	16.9
199.13213	10.0
227.12663	5.9
229.14246	16.5
241.14319	5.9
245.39055	1.3
261.22070	7.7
267.15817	2.9
283.15237	2.7
315.17935	8.2
335.25717	37.7
349.77948	1.4
414.92313	1.7
477.35922	20.6
489.35657	21.1
543.36658	2.9
561.37402	2.5
564.38922	2.0
575.38867	5.8
593.40137	3.1
610.44934	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.6
55.05498	44.4
57.03423	23.6
57.07055	5.1
59.04980	32.3
61.02903	4.3
64.33050	1.0
65.03912	3.0
67.05482	100.0
68.05811	1.0
69.03410	4.4
69.07042	21.6
71.01315	1.1
71.04967	12.2
71.08612	1.6
73.02890	1.1
73.06528	0.8
76.59959	0.7
79.05463	55.7
80.27727	0.6
81.03382	11.2
81.07027	65.4
82.03705	0.8
83.04945	8.2
83.08591	14.7
85.02857	6.0
85.06513	5.5
86.09661	3.3
87.04436	36.7
89.05997	3.6
90.59179	0.7
91.03941	0.8
91.05442	29.1
93.07007	44.5
94.07349	0.6
95.04923	10.4
95.08570	38.4
97.02849	6.1
97.05938	0.9
97.06466	5.1
97.10129	14.8
99.04427	15.2
103.31607	0.7
105.04550	0.8
105.06995	20.8
107.04949	3.4
107.08563	24.0
107.09230	1.4
109.02833	1.0
109.06503	3.6
109.10120	48.2
110.10439	0.8
111.04424	3.2
111.08051	4.1
114.36617	0.8
115.03941	0.9
117.06998	6.5
119.08533	19.2
121.10109	14.3
122.10497	0.9
123.08047	1.1
123.11688	3.9
124.99992	3.1
125.09592	9.5
129.06941	1.8
131.08511	11.2
133.10036	9.1
135.11624	11.0
137.09598	3.1
137.13249	1.1
143.08481	1.2
145.10065	7.7
147.07985	1.3
147.11624	6.0
149.09581	1.7
149.13179	5.2
151.11176	0.9
155.08563	1.1
157.10022	1.3
159.11668	4.4
160.42650	0.9
161.13206	3.4
163.11116	5.7
173.11671	8.7
173.13229	2.9
175.11118	0.9
175.14792	1.2
184.07236	7.8
185.13297	1.2
193.12141	1.4
199.13185	5.5
206.17311	0.7
209.11598	0.9
227.12701	3.4
229.14273	20.7
241.14299	4.3
243.20927	1.4
257.13599	1.0
259.20398	1.1
261.22110	6.5
267.15863	5.0
268.15991	0.9
302.16248	0.8
315.17935	5.0
317.24695	1.1
335.25665	33.0
336.25992	1.3
363.25354	3.4
477.35565	10.3
489.35626	28.1
491.37189	3.1
531.04614	0.8
531.40302	6.0
543.36719	3.5
561.38116	0.9
575.38770	1.6
593.39905	1.3
613.48071	5.6
631.49231	3.0
665.27344	0.9
823.40039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	18.0
55.05272	3.3
55.05493	47.4
57.03425	28.9
57.07061	3.1
61.02904	6.7
65.03899	4.6
67.05482	100.0
69.03391	17.6
69.07049	44.2
70.87259	2.3
70.94745	2.3
71.01317	5.2
71.04957	10.7
71.33316	2.3
71.73217	2.4
79.05460	75.5
81.03381	54.9
81.07029	74.9
83.04948	24.6
83.08585	27.4
85.02876	24.0
85.06499	4.1
86.09679	23.7
89.03240	2.6
91.05441	87.0
91.50214	2.4
93.06998	59.7
95.04929	33.0
95.08581	40.3
97.02856	13.0
97.06514	21.8
97.10093	5.7
99.08022	3.2
105.06992	70.1
107.04920	18.0
107.08553	29.6
109.06474	6.9
109.10095	25.8
111.04391	5.7
111.08025	14.4
113.05907	3.6
117.06985	19.1
119.08533	47.3
121.06487	4.5
121.10085	18.0
123.08023	4.6
123.11640	3.1
124.99963	6.9
125.09602	3.9
129.05405	4.4
129.06955	18.5
131.08530	29.0
133.06439	3.4
133.10085	35.6
134.34373	2.8
135.11604	13.1
137.09575	4.8
143.08525	4.6
145.10103	16.4
147.07990	4.8
147.11603	25.2
149.09581	16.5
149.13260	3.5
157.10117	21.5
159.11589	12.5
161.13194	4.1
163.11116	10.7
173.13152	4.8
175.11105	13.8
181.44583	3.0
184.07259	40.6
185.13181	4.5
193.12135	32.1
211.13251	24.4
253.14171	4.8
257.18912	6.0
259.20578	5.2
267.15814	16.6
273.18307	3.5
275.20010	14.1
283.15430	3.3
285.16827	23.4
288.79410	3.0
299.14816	5.6
301.16241	5.2
349.23593	24.4
439.27161	7.0
541.35260	3.4
557.34344	13.1
559.35919	16.4
575.35400	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	17.3
55.05245	1.8
55.05499	46.5
57.03148	1.8
57.03420	31.9
57.07051	2.1
59.04970	5.5
61.02913	2.8
65.03925	3.1
67.05484	74.1
69.03395	10.1
69.07044	38.4
71.01337	1.4
71.04962	12.9
73.02891	3.0
79.05463	72.4
81.03388	40.5
81.07027	100.0
83.01305	8.3
83.04952	22.0
83.08583	30.1
85.02882	18.6
85.06533	3.0
86.09670	1.3
89.97739	1.1
91.03889	2.2
91.05444	61.3
92.08713	2.5
93.07012	79.6
94.37645	1.5
95.04930	25.4
95.08572	38.7
97.02854	9.0
97.06493	40.7
97.10109	10.3
99.04409	2.6
99.08092	2.2
105.07001	47.5
107.04920	23.2
107.08562	45.5
109.06495	18.4
109.10121	22.7
111.04435	4.9
111.08051	9.5
113.05975	2.0
115.05406	1.8
115.07555	5.0
117.06984	22.7
119.08544	35.5
121.06474	8.6
121.10092	24.8
123.08013	13.1
123.11656	2.8
125.09583	7.4
127.03878	1.9
128.06186	2.0
129.06969	11.9
131.04901	1.6
131.08521	27.1
133.06508	2.3
133.10101	28.1
135.08029	8.8
135.11642	20.7
137.09586	5.3
142.07733	1.6
143.08557	4.9
145.06421	2.3
145.10081	29.4
147.07974	5.9
147.11623	14.4
149.09566	12.9
149.13216	12.3
151.11174	4.6
153.12672	2.1
155.08487	2.6
157.10085	7.0
159.11662	10.6
161.13145	5.5
163.11121	28.8
165.12782	1.8
169.10051	1.4
171.11624	2.4
173.09558	2.5
173.11752	2.0
173.13168	2.8
175.11140	6.2
177.12747	1.8
181.12065	5.0
183.11597	1.7
184.07281	1.8
187.11031	1.6
191.10692	1.9
193.12209	10.7
195.13879	1.6
201.09125	1.5
209.11681	5.1
211.13240	12.5
222.63597	1.6
223.40376	1.2
227.12714	7.2
229.14261	5.6
233.15353	1.5
239.18001	1.6
251.16190	1.5
257.18884	2.3
267.15833	3.0
269.17343	19.6
273.18533	9.0
275.19989	19.4
283.15268	51.7
285.16870	13.0
291.19476	6.6
293.21045	2.0
347.22064	2.5
349.23642	9.3
365.23166	1.5
367.24536	6.4
437.25351	13.6
457.97607	1.6
459.27081	2.9
461.28470	2.1
477.28339	63.0
479.29999	5.6
539.33636	4.5
557.34485	36.6
575.35608	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	788.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
55.48446	0.5
57.25770	0.5
58.51768	0.5
60.08142	6.7
71.07332	2.8
79.05437	0.7
81.07010	0.7
86.09673	46.2
91.05425	0.7
92.08702	1.3
98.98415	3.9
104.10711	2.7
109.69742	0.6
124.99961	30.4
184.07280	100.0
260.19550	0.7
599.42163	0.8
664.92688	0.8
788.53717	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	788.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05013	0.3
57.36055	0.2
58.06586	0.2
60.08147	9.7
67.05466	0.2
69.07039	0.2
70.06583	0.1
71.07346	4.2
71.08593	0.1
79.05473	0.3
81.07022	0.3
86.09676	49.6
93.06982	0.2
95.08612	0.2
98.98428	4.8
104.10711	3.4
105.06944	0.2
124.99957	35.4
143.00990	0.7
174.90282	0.2
184.07280	100.0
185.07687	0.2
496.33438	0.2
497.92941	0.2
690.45972	1.0
770.52258	1.0
787.48657	0.3
788.53827	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	789.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	6.1
55.05496	41.5
57.03410	9.5
67.05482	62.8
69.07021	12.8
79.05453	76.1
79.66991	5.0
81.07031	64.8
83.04949	11.2
84.63660	5.2
86.09685	18.8
91.05453	39.9
93.06997	67.6
95.08555	32.4
105.07012	48.3
107.04890	9.2
107.08558	34.4
109.10100	10.0
117.06941	10.7
119.08527	24.4
121.04173	5.3
121.10073	11.9
124.33456	5.1
124.99938	25.8
131.08508	26.6
133.10091	35.6
145.10014	6.4
147.11658	5.7
149.09526	21.2
184.07295	46.0
219.17348	29.7
275.19977	34.6
335.25586	45.4
349.23721	11.3
406.07217	5.1
609.44781	100.0
708.68451	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	788.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	39.3
57.03423	32.7
57.07050	16.7
59.04980	10.1
62.39820	3.4
63.98158	3.3
65.48705	3.5
67.05483	94.5
69.07029	33.1
73.79735	5.2
79.05464	65.6
81.03393	100.0
81.07028	93.6
83.04957	6.3
83.08595	21.9
86.09669	24.3
91.04990	3.7
91.05457	44.7
93.06989	61.4
95.04922	41.4
95.08581	57.6
97.02889	4.8
97.06518	6.4
97.10136	7.9
103.83702	3.8
105.06980	38.9
107.04919	7.8
107.08579	25.4
109.10117	32.1
117.06971	4.9
119.08532	31.9
121.10080	19.2
124.99932	8.8
129.06949	10.2
131.08507	31.0
133.06442	4.9
133.10071	17.0
135.11644	10.3
145.10089	9.2
147.11668	9.4
149.09602	7.7
157.10071	8.2
159.11685	7.5
161.13130	7.4
174.04605	4.2
183.11575	4.8
184.07326	42.6
193.12196	23.1
261.22092	18.5
267.15762	65.7
335.25632	68.2
453.33197	6.8
527.37036	54.9
545.38269	40.7
562.37854	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	788.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.0
55.05493	26.2
57.03420	21.7
57.07048	3.1
61.51223	1.7
67.05480	67.6
67.32080	2.0
67.83995	1.7
68.05811	2.1
69.03369	2.4
69.07037	22.1
72.96503	2.1
75.07835	1.9
79.05464	44.6
81.03385	100.0
81.07024	64.0
83.04948	4.6
83.08578	23.3
86.09674	2.7
91.05447	43.7
93.07004	59.0
95.04948	26.8
95.08570	42.9
97.02898	2.7
97.10122	3.9
105.06998	32.8
107.04932	3.9
107.08561	30.4
109.06490	5.0
109.10123	20.5
110.90804	2.0
111.04386	2.1
111.08024	3.5
117.06956	4.1
119.08540	25.5
120.54472	2.1
121.10114	22.6
129.06938	12.3
131.08521	22.7
133.10065	15.7
135.11641	9.0
137.13228	2.3
143.08492	3.0
145.10098	15.5
147.11613	9.5
149.09554	9.7
149.13240	4.6
157.10129	14.3
159.11679	7.7
161.13248	7.3
163.14775	2.7
173.13162	3.8
174.62299	2.5
175.11101	9.3
182.41788	2.0
184.07286	11.6
193.12204	17.7
220.37932	2.1
249.14813	2.5
261.21988	11.8
267.15805	49.9
301.25232	2.8
307.19354	2.4
335.25632	56.4
411.28079	2.4
453.33011	3.9
527.37036	43.2
545.38281	49.3
562.37592	3.2
655.92633	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	788.513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	29.0
57.03416	30.4
57.07054	4.5
67.05156	5.1
67.05487	100.0
69.03407	4.1
69.07040	22.0
70.61886	3.1
71.04962	4.8
79.05456	54.8
81.03393	88.0
81.07028	88.7
83.04938	5.1
83.08584	19.8
83.64721	3.5
85.06496	4.5
91.05474	44.0
93.07005	58.2
95.04943	34.5
95.08566	59.6
97.02863	4.3
97.10120	6.2
105.07005	38.1
107.04921	6.9
107.08567	40.2
109.10148	32.5
111.08030	3.7
117.06974	12.0
119.08560	32.5
121.10110	27.3
123.11671	3.3
129.06929	5.0
131.08557	24.0
133.10072	17.5
145.10104	6.4
147.11618	13.5
149.09544	7.1
149.13217	4.3
157.10078	7.8
159.11615	4.6
161.13269	2.9
163.11130	4.5
169.10040	3.3
175.11118	6.6
179.75821	3.0
183.74667	3.2
184.07239	6.3
193.12122	19.8
261.21933	4.9
267.15836	59.4
268.42160	3.6
293.16257	3.4
335.25641	56.9
407.30249	3.6
470.06494	3.4
491.36926	13.7
522.03369	4.1
527.37268	42.2
545.38269	38.2
611.46112	15.7
629.47015	6.5
700.42773	4.3
772.04816	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	788.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
55.05496	25.0
57.03418	23.2
59.04987	1.4
61.02905	1.6
67.05482	64.8
69.03408	1.9
69.07050	18.2
69.58467	1.6
71.04952	2.5
78.02796	1.6
79.05457	54.1
81.03387	100.0
81.07021	75.7
83.04939	8.0
83.08591	23.7
85.02871	2.3
85.06507	2.9
86.09669	9.9
91.05443	42.1
93.07011	56.2
95.04929	35.7
95.08564	52.2
97.02843	2.5
97.06505	2.7
97.10140	7.8
99.08086	2.8
105.07008	33.1
106.44154	1.4
107.04926	8.4
107.08569	31.7
109.06483	10.1
109.10121	22.3
111.08027	4.1
117.06989	10.2
119.08541	25.2
120.37408	1.6
121.06510	2.2
121.10102	22.9
123.08006	2.4
123.11675	6.7
124.99951	3.8
125.09562	2.3
129.06955	9.4
131.08528	20.6
133.10104	14.9
135.08147	1.9
135.11668	15.2
137.09604	1.8
137.13187	1.9
145.10065	12.0
147.08072	2.7
147.11655	14.1
149.09604	8.1
149.13170	2.4
157.10118	13.5
159.11641	7.6
161.13225	3.4
163.11089	2.6
173.13213	3.0
175.11148	11.8
175.14761	3.6
184.07246	23.0
185.13211	1.8
193.12169	24.2
227.12781	2.9
261.21979	12.2
267.15796	65.5
298.83243	1.5
301.25046	2.3
312.78030	1.6
335.25653	63.2
435.32553	2.6
453.33316	2.3
496.37714	2.1
527.37177	46.3
545.38135	51.2
562.37585	6.6
569.37811	1.9
741.63281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.2
55.05496	15.7
57.03420	10.2
63.55860	1.0
67.05150	1.8
67.05481	30.2
69.03389	2.9
69.07045	19.2
71.04962	1.9
79.05463	29.3
80.60515	1.0
81.03384	54.6
81.07018	34.0
83.04953	7.8
83.08584	11.0
91.01284	1.1
91.05443	40.9
93.07002	25.8
95.01280	4.7
95.04920	17.6
95.08566	19.8
97.02858	1.8
97.06483	13.6
97.10144	1.5
105.06998	55.8
107.04925	15.4
107.08579	14.1
109.06467	2.8
109.10117	5.3
111.04402	1.7
111.08051	5.7
117.06973	7.4
119.08535	28.6
121.06460	2.7
121.10098	9.1
123.08070	2.0
123.11600	1.4
125.09570	1.7
129.06979	10.6
131.08522	20.1
133.06476	1.9
133.10086	27.5
135.08022	2.2
135.11632	5.0
137.09599	1.6
141.06926	2.4
143.08502	1.6
145.10066	11.0
147.07959	1.8
147.11653	11.0
149.09535	8.5
149.13153	2.1
151.11124	1.2
157.10072	8.4
159.11581	8.1
163.11111	2.2
169.10071	1.8
170.21727	1.2
171.11656	1.5
173.13199	1.6
174.77646	1.4
175.11107	6.2
177.12697	2.0
179.14220	5.0
183.11601	1.3
187.11176	1.5
193.12190	11.4
195.13863	1.1
197.13313	1.5
267.15793	44.4
267.20068	1.2
275.19962	17.6
319.76724	1.1
349.23663	10.9
378.97247	1.2
390.15091	1.2
443.80817	1.1
443.89075	1.1
533.77734	1.5
541.35028	100.0
542.35797	2.3
646.71094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	26.0
55.05496	63.9
57.03421	29.4
57.07055	4.3
58.40868	3.0
59.04984	3.5
61.02906	7.2
63.25116	2.7
67.05483	100.0
67.33209	3.5
69.03407	8.7
69.07053	56.2
71.04954	8.5
79.05466	83.7
81.03397	25.0
81.07021	84.3
83.01318	18.5
83.04975	28.4
83.08600	24.5
85.02874	18.8
85.06546	4.7
86.09704	8.4
91.05436	70.5
92.08720	9.7
93.07015	78.5
95.04952	30.8
95.08566	47.5
97.02868	15.7
97.06506	17.7
97.10123	6.2
105.07008	62.7
107.04931	22.0
107.08569	38.8
109.06493	8.5
109.10139	22.4
111.08064	3.8
111.37547	4.2
114.36064	3.6
117.06998	36.7
119.08546	38.5
121.06463	16.7
121.10087	16.5
123.08041	19.4
127.03883	3.6
129.06958	4.5
130.07736	4.4
131.08551	18.5
133.06473	3.8
133.10097	21.5
135.08046	6.7
135.11658	24.1
137.09619	5.7
138.46553	3.2
142.07622	4.3
145.10095	37.4
147.11641	8.3
149.02452	3.7
149.09587	16.5
157.10094	4.8
159.11674	7.7
161.13242	5.4
163.11113	34.0
163.19826	3.8
171.11563	3.9
173.11772	3.8
175.11269	4.3
184.07271	28.2
185.13094	3.9
202.94211	4.1
223.13289	7.4
227.12778	4.7
267.15817	5.0
275.19968	19.6
283.15228	63.8
291.19452	14.1
328.75156	4.1
349.23666	19.8
379.20932	4.2
437.25113	21.2
447.16177	3.6
461.28549	7.1
492.30258	4.1
557.34479	29.5
626.38940	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	786.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.5
56.28077	1.0
57.87062	0.8
58.97936	0.9
60.08139	8.9
63.59138	0.9
70.44900	0.9
70.48594	1.0
71.07346	4.9
73.83717	1.0
86.09669	51.7
93.07024	1.5
98.98422	4.7
104.10703	1.7
122.99003	0.9
124.64667	1.0
124.99950	41.6
125.00868	1.3
184.07262	100.0
187.66196	1.1
519.44574	1.2
640.45239	1.1
786.52673	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97573	1.8
55.01862	19.0
55.05280	2.2
55.05498	34.7
56.12162	2.1
57.03417	23.3
57.07037	3.1
59.04974	2.3
61.02889	2.8
63.46244	2.1
67.05482	98.4
68.05809	4.6
69.03406	2.0
69.07045	35.6
71.04948	4.7
71.08601	2.2
72.17200	2.1
79.05461	73.5
81.02949	2.2
81.03356	19.1
81.07024	88.2
82.07365	3.4
82.61826	2.1
83.04942	5.2
83.08601	16.3
85.02882	3.3
85.06516	2.7
86.09677	2.8
91.05445	100.0
93.07005	69.1
95.01270	5.4
95.04915	22.5
95.08572	54.8
97.02837	3.9
97.06480	25.8
97.10070	2.8
99.08053	2.2
104.77216	2.2
105.06992	93.0
107.04913	22.0
107.08553	44.6
109.06494	4.3
109.10137	41.1
111.04433	2.2
111.08058	5.2
113.09540	2.5
117.06988	28.2
119.08547	54.4
121.06427	4.7
121.10098	17.1
123.08029	3.5
123.11645	2.8
129.06944	10.0
131.08517	44.0
133.10092	45.1
135.07976	2.9
135.11646	12.8
137.09560	3.1
141.06946	3.3
143.08556	9.1
145.10051	21.6
147.11642	28.5
149.09583	4.1
149.13216	4.7
157.10052	9.1
159.11630	17.8
161.13188	10.1
163.11101	4.1
169.10048	4.9
171.11630	10.3
173.11722	5.1
173.13219	9.3
179.14310	4.5
183.11668	4.0
185.13235	4.9
187.11069	5.5
196.44505	2.6
220.47980	2.7
223.13367	3.5
229.14229	12.9
230.14470	3.3
239.17976	3.0
241.19464	11.2
256.05011	2.3
257.18817	2.8
259.20367	11.7
260.82959	2.3
261.22089	3.1
275.20029	33.4
297.16815	3.0
298.17108	2.6
301.07315	2.5
315.23062	2.9
333.24081	29.4
335.25717	21.8
336.25894	13.8
349.23630	25.5
353.96194	2.4
480.32071	2.6
489.35544	4.9
490.35806	3.1
511.36893	2.7
558.38672	3.7
561.37164	8.2
607.43494	53.2
625.44171	3.6
787.45306	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	788.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	25.1
55.05495	45.8
57.03419	40.6
61.02885	6.6
67.05481	82.3
69.03400	23.9
69.07043	63.3
69.11236	5.1
71.04950	26.6
79.05457	97.4
81.03383	47.8
81.07023	97.7
83.04951	44.7
83.08578	26.8
85.02852	19.2
85.06516	4.4
86.09646	7.3
87.40018	4.3
91.05442	95.9
93.07005	90.2
95.04916	30.3
95.08575	47.8
97.02829	8.0
97.06499	100.0
97.10089	4.7
99.08082	6.4
105.06998	64.6
107.04912	23.3
107.08557	35.7
109.06501	10.8
109.10129	7.8
111.04357	5.5
111.08021	7.1
115.07539	19.6
117.06944	28.3
119.08521	48.8
121.06422	10.4
121.10089	29.7
127.03879	5.5
129.06963	7.9
131.07657	5.0
131.08531	35.2
133.06467	6.5
133.10086	31.3
135.08002	9.0
135.11649	6.9
141.07053	5.3
143.08458	9.4
145.10059	33.4
147.07962	5.7
147.11685	8.3
149.09584	5.9
151.11168	4.7
153.59610	4.9
155.66368	4.9
157.10066	6.8
159.11699	5.4
161.09604	4.7
163.11140	28.6
171.11636	5.2
177.12656	5.9
184.07309	9.5
227.12636	6.7
245.18976	4.9
253.14415	7.5
269.17007	5.3
270.37549	4.9
273.18393	10.9
283.15250	49.0
285.16855	6.6
291.19656	10.2
307.18704	6.9
336.60181	4.7
347.22098	7.8
365.23126	5.9
477.28308	33.7
490.43353	4.9
555.32965	5.4
573.33490	11.9
591.35083	8.2
656.25378	6.2
744.52106	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	17.0
55.05494	50.6
55.38940	1.8
57.03420	21.7
57.07044	4.6
57.10324	1.6
59.04951	3.1
61.02895	1.8
63.85707	1.4
65.03918	2.5
67.05481	100.0
68.12169	1.5
69.03410	24.5
69.07042	29.1
71.04957	15.7
71.08569	1.9
79.05460	89.4
81.03391	61.5
81.07024	86.6
83.01346	3.7
83.04950	28.9
83.08588	27.2
85.02878	14.3
85.06505	3.1
85.10175	1.8
91.05442	60.1
92.09339	3.1
92.84132	1.8
93.07006	92.9
95.04911	22.0
95.08575	66.8
97.02866	12.8
97.06488	15.8
97.10146	18.6
99.04417	9.7
105.06998	44.1
107.04913	21.9
107.08558	48.7
109.02844	12.6
109.06476	11.3
109.07213	1.6
109.10143	23.8
111.04410	14.0
111.08055	11.4
111.74432	1.8
117.06975	23.6
119.08536	34.0
121.06468	9.3
121.10092	32.1
123.04427	2.4
123.08017	8.1
123.11649	3.7
125.09605	9.7
127.03845	12.9
129.06960	11.6
131.08514	29.9
133.10088	22.5
135.08015	2.9
135.11659	32.0
141.06990	2.1
143.08545	11.1
145.10085	31.1
147.07990	4.0
147.11662	10.6
149.13217	3.4
153.12698	18.5
155.08525	4.3
157.10056	7.3
159.11609	13.4
161.13280	7.0
163.11113	30.8
167.08435	2.3
169.10010	3.0
171.11626	4.4
173.09541	8.4
173.13249	7.3
181.12163	11.2
184.07248	3.1
187.14633	2.8
187.73030	1.9
189.11134	8.2
191.10654	10.4
199.14771	2.2
209.11603	3.3
227.12672	22.0
253.37543	2.1
261.22104	7.4
275.12793	2.0
283.15256	17.1
299.23514	3.8
335.25723	53.2
353.15546	6.4
370.78149	1.9
409.18536	3.0
427.19479	44.8
451.31909	3.1
525.35590	9.7
543.36536	66.7
561.37018	3.5
669.39575	4.2
687.40741	43.4
705.41870	13.7
808.35858	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	19.5
55.05244	2.3
55.05494	46.8
57.03198	1.2
57.03426	25.3
57.07051	5.2
59.04961	2.2
61.02896	2.2
64.33282	1.4
65.03918	3.2
67.05481	93.7
69.03406	21.6
69.07042	27.4
71.04970	13.9
79.05458	91.1
81.03385	57.0
81.07023	95.7
83.01303	5.1
83.04946	25.8
83.08598	20.1
85.02876	10.9
85.06493	2.7
91.04900	2.2
91.05446	53.2
93.07008	100.0
95.04930	22.5
95.08568	69.0
97.02844	14.6
97.06482	9.2
97.10103	12.2
99.04411	8.6
99.08025	1.5
103.05416	2.8
105.04472	2.3
105.06300	1.7
105.06993	40.0
107.04929	23.8
107.08556	52.3
109.02849	11.0
109.06479	11.8
109.10126	25.4
111.04402	13.7
111.08045	8.4
117.06980	25.9
118.02781	1.4
119.08529	31.9
121.06445	6.4
121.10092	34.3
123.04385	1.6
123.07983	9.9
123.11647	5.4
124.19018	1.4
125.05918	1.8
125.09581	5.7
127.03844	11.0
129.06973	10.9
130.07756	2.3
131.08517	22.7
133.10086	14.4
135.08008	5.8
135.11647	23.5
143.08493	7.2
145.06464	2.2
145.10068	30.4
147.08011	1.9
147.11620	9.7
149.09590	1.6
149.13208	5.7
151.11020	1.4
153.12694	20.3
155.08525	5.1
157.10019	5.2
159.11626	9.3
161.09497	2.5
161.13162	2.8
163.11121	26.3
169.10089	1.6
171.11656	3.3
173.09445	5.2
173.13251	6.0
180.94830	1.4
181.12187	11.3
183.11613	1.9
184.07320	1.7
187.11012	1.6
187.14722	1.9
191.10533	6.6
193.12070	1.5
197.13066	2.0
209.11642	2.9
217.39369	1.6
227.12675	14.9
259.20444	2.4
261.22058	7.4
265.14267	2.8
283.15210	12.3
299.23611	2.3
333.24323	1.6
335.25644	70.7
353.15817	7.6
427.19485	31.3
451.31995	2.3
469.32471	1.7
515.37567	1.8
525.35333	8.9
543.36554	55.6
561.37219	6.7
669.39240	2.2
687.40820	56.3
705.41907	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	785.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01392	1.8
57.09559	1.8
57.64740	2.0
59.25641	1.8
60.40767	1.8
61.02894	5.3
67.05468	3.8
69.38293	1.9
70.56351	1.9
73.02865	3.6
79.05459	5.2
81.07021	8.9
85.02870	3.1
86.09703	8.6
91.05456	2.9
92.09476	2.5
93.07030	4.7
95.04949	1.9
95.08560	4.5
95.50214	2.0
97.02828	2.8
102.93573	2.2
105.07042	2.9
107.08584	2.7
119.08529	3.1
121.10014	2.1
125.00014	4.2
139.13092	2.1
184.07266	17.1
191.60728	2.1
225.15030	1.9
267.78934	2.1
278.93402	2.3
491.25912	3.3
535.28375	4.6
668.45251	2.3
785.47876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81017	1.7
55.05496	23.0
57.03166	2.8
57.03415	26.4
57.07058	9.3
59.04976	3.1
67.05483	100.0
69.03408	2.5
69.07048	21.3
71.04977	3.3
71.08595	7.3
79.05463	42.3
81.03395	20.3
81.07034	58.3
83.04959	9.0
83.08603	17.9
85.02886	10.2
86.09692	9.3
91.05464	30.0
93.07013	43.9
93.31912	1.6
95.04919	13.0
95.08573	39.0
97.06506	2.8
97.10143	3.4
103.26846	2.0
105.06992	14.9
107.04935	3.7
107.08578	21.0
109.06472	10.4
109.10130	48.8
111.08067	3.3
117.06983	8.2
119.08529	17.2
121.06499	8.7
121.10092	14.0
123.08027	2.7
123.11676	3.4
129.06940	2.7
131.08528	9.5
133.10089	11.1
135.11647	9.6
137.09570	2.6
144.73836	2.2
145.10049	7.8
147.11679	4.6
157.10060	3.0
159.11638	10.0
161.13118	2.4
169.10001	2.0
173.11679	12.6
185.19264	2.2
187.11165	2.2
187.14772	2.2
193.12172	2.6
211.13234	2.8
223.13229	7.1
225.32561	2.2
229.14282	26.4
243.21017	2.4
261.22067	11.2
285.16858	2.7
297.16867	7.8
306.18170	1.8
313.27313	8.2
314.27533	2.3
335.25735	48.2
379.29413	2.0
489.35617	23.2
495.88983	2.5
523.39868	3.3
524.40314	2.6
525.40674	4.4
557.37976	8.9
558.68018	2.3
571.38855	2.4
603.42059	9.4
611.27509	3.3
727.40515	3.5
758.27057	2.1
786.48279	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	785.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05498	4.0
57.03424	7.2
61.02895	3.0
62.19351	1.8
63.60660	1.6
67.05466	3.0
69.03403	20.7
69.54332	1.7
73.02850	2.3
81.03393	4.0
81.07004	2.1
83.04950	11.6
85.02886	9.0
88.65903	1.8
105.07008	3.2
111.04424	2.7
191.83609	1.9
230.29494	2.2
403.18988	3.1
419.22232	3.7
431.18518	2.5
445.19897	4.7
446.20810	3.3
447.21597	8.3
456.47571	2.2
503.83484	2.5
518.37177	2.0
533.25220	21.4
561.24841	8.3
593.26807	3.7
690.79315	2.3
725.31915	4.1
785.33514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.2
57.03424	3.6
57.07064	1.5
58.42992	1.7
61.02907	8.9
64.73319	1.6
67.05482	10.2
69.03407	3.7
69.07069	1.8
73.02882	4.4
79.05446	4.3
81.07030	8.5
81.23608	1.7
85.02883	7.2
91.05453	2.9
93.07040	3.8
95.08578	2.6
97.02865	4.0
105.07023	3.4
107.08572	3.1
109.10162	2.3
112.40301	1.7
116.06258	1.8
119.08556	2.4
120.53453	1.8
121.10098	2.4
133.10135	2.1
134.24641	1.8
167.04634	1.7
519.29138	11.4
784.46997	4.1
785.47858	100.0
786.48804	2.9
791.04950	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	784.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.8
55.02102	1.0
55.05499	27.2
57.03417	30.8
57.07058	53.6
65.03918	1.9
65.55111	1.1
65.81118	1.2
67.05480	41.2
69.03399	8.2
69.07037	21.6
71.04971	6.0
71.08599	35.1
73.02905	1.9
79.05464	35.9
81.03386	81.1
81.07025	59.7
83.04948	24.9
83.08590	39.4
85.02872	25.1
85.06500	1.5
85.10147	18.5
87.30016	1.2
89.06001	2.9
91.05442	47.0
93.07007	26.0
95.04934	31.3
95.08562	40.5
95.09137	1.7
97.02869	6.6
97.06503	3.1
97.10130	13.7
99.04416	2.8
99.08056	1.9
99.82764	1.2
105.06991	30.9
107.04314	1.1
107.04887	9.9
107.08569	13.4
109.02839	7.3
109.06505	7.0
109.10123	15.9
111.04417	6.4
111.08043	11.0
117.07004	2.1
119.08543	30.7
121.10107	12.3
123.08041	4.8
123.11678	6.4
127.03928	1.3
129.06941	17.7
131.08513	15.0
133.06433	4.3
133.10083	16.4
135.11638	2.5
137.09569	1.4
137.13194	2.3
142.07741	2.6
145.10104	1.8
147.07988	2.1
147.11629	22.4
149.09573	8.0
157.10094	16.9
163.11096	2.0
175.11125	16.0
190.99925	2.3
193.12178	53.0
211.13226	54.4
216.89735	1.6
224.71802	1.2
239.23628	3.1
257.24792	1.4
267.15805	26.6
283.15393	5.6
284.16003	1.7
285.16873	57.0
313.27252	72.7
313.30942	2.5
314.27701	2.3
505.38742	24.3
511.18387	4.8
522.38312	1.4
523.39722	100.0
524.40271	5.5
539.28369	5.9
541.28577	1.5
662.78656	1.7
772.13824	1.4
772.84955	1.4
799.50623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.4
59.11340	0.3
68.05026	0.2
68.86834	0.2
69.07038	1.1
71.08606	1.1
74.08009	0.2
79.05463	0.4
81.07034	0.4
86.09671	100.0
91.05418	1.1
93.07016	0.6
95.04935	0.2
95.33709	0.2
98.09648	1.6
103.05416	0.5
105.06998	1.8
107.08531	0.4
112.11209	6.9
112.11952	0.5
117.06949	0.3
120.08059	47.8
124.18355	0.3
128.30290	0.2
128.82439	0.2
132.74878	0.2
145.10135	0.3
146.09622	2.0
150.05653	0.3
154.15846	20.4
157.13301	10.5
164.52170	0.3
167.11763	0.3
184.07285	0.4
185.12773	12.5
188.14279	8.5
199.17978	15.3
209.16441	0.6
219.11261	1.1
225.19524	7.2
227.15501	0.4
227.17455	13.5
233.16403	15.5
233.83952	0.2
243.14799	0.5
253.19002	6.4
259.17929	3.0
261.15848	14.6
267.24222	7.1
277.23071	0.4
280.20023	0.3
287.17410	2.8
295.23706	3.9
298.21155	7.2
301.22650	7.3
314.18518	0.3
322.25046	0.3
329.22174	4.3
332.19534	4.8
340.25919	1.8
356.23224	0.4
366.27277	1.9
374.24146	3.1
383.30423	0.8
400.25870	2.9
401.51453	0.3
411.29590	3.0
417.28271	1.0
442.30396	1.3
445.27914	2.3
453.34201	0.4
459.33313	0.6
479.35654	0.6
487.32687	1.7
496.38568	0.5
513.34106	1.5
524.37714	2.7
530.36560	1.7
555.38654	0.5
558.36493	5.3
592.44043	0.6
600.40948	1.2
609.46045	0.4
626.42401	3.8
637.46112	1.6
643.45154	2.6
671.44696	11.2
739.50372	2.0
756.53455	5.3
766.51611	1.3
784.39355	0.4
784.53015	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	783.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.03419	2.2
61.02910	7.1
63.17643	1.0
64.28223	0.9
67.05491	6.6
69.03405	4.4
69.07049	4.0
71.25174	0.9
73.02901	6.1
79.05472	7.0
81.07014	8.6
85.02877	6.1
86.09698	4.7
86.90625	1.0
91.03925	2.4
91.05464	4.4
93.06985	7.9
95.04922	1.5
95.08605	5.4
97.02886	5.2
101.02333	1.5
105.07005	2.2
109.10162	1.9
124.99963	2.5
145.10089	1.2
149.13365	1.1
184.07300	10.1
185.07660	1.8
206.68776	1.2
243.08470	1.5
278.46375	1.0
287.16248	6.1
314.37708	1.2
387.24313	1.0
505.24146	1.9
519.29626	6.0
783.46295	100.0
784.47229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
57.03397	4.3
59.95997	1.2
61.02905	7.2
67.05489	8.5
69.03416	5.3
69.07044	1.9
73.02901	5.2
73.34738	1.3
79.05472	7.0
80.39852	1.2
81.07047	7.6
81.18312	1.2
85.02882	7.7
86.09716	1.5
91.03933	3.0
91.05441	5.2
93.07019	7.5
95.08585	5.8
97.02880	6.7
101.02346	1.8
105.07008	2.7
107.08569	2.5
109.10154	1.9
121.10165	2.4
124.99994	1.3
127.03882	1.7
148.21602	1.3
157.37941	1.5
178.66124	1.3
184.07349	6.9
193.18610	1.3
287.16220	5.6
396.55841	1.2
420.63010	1.4
448.38644	1.4
459.87534	1.5
505.24384	2.3
519.29370	6.0
564.14081	1.7
685.34796	2.0
740.53381	1.9
783.46259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80832	1.6
55.05487	1.7
55.77557	1.5
57.62165	1.3
61.02905	7.7
63.15819	1.4
67.05482	7.5
69.03420	1.5
70.00973	1.4
73.02893	3.4
79.05484	2.9
79.41294	1.6
79.70663	1.3
81.07048	6.8
84.68620	1.4
85.02880	3.2
89.49061	1.5
91.05434	1.7
93.07034	3.7
95.08570	2.9
97.02877	3.1
101.91929	1.8
103.56757	1.6
107.08596	2.2
124.93775	2.8
127.03887	2.4
152.96471	1.5
195.00325	2.2
241.88171	1.6
271.17026	2.0
336.18268	1.8
360.39279	2.1
391.31973	1.8
505.27646	3.1
519.29645	3.0
783.49835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.5
55.05495	29.3
57.03418	24.2
57.07060	45.6
59.04963	3.1
65.03927	2.8
67.05478	29.2
69.03414	2.8
69.07035	10.4
71.04986	3.2
71.08608	33.5
72.20100	2.2
73.02884	3.8
79.05456	25.6
81.03380	13.2
81.07017	38.7
83.01317	13.4
83.04945	18.5
83.08564	23.8
85.02876	3.5
85.10149	16.7
87.65294	2.9
91.05432	15.0
93.07009	31.1
95.04912	11.9
95.08570	29.4
96.56180	2.5
97.10114	3.7
99.04423	5.6
105.07001	15.9
107.04924	11.0
107.08583	18.3
109.02876	3.9
109.06465	11.0
109.10133	11.9
110.03659	4.0
111.04429	5.0
116.99166	2.8
117.07004	4.1
119.08524	11.8
123.08025	12.7
123.11642	3.4
131.08548	3.2
133.10083	4.7
135.07956	5.0
135.11641	5.2
145.10074	17.0
163.11130	29.4
164.91679	2.7
207.60898	3.0
209.11649	5.8
227.12897	4.9
283.15305	100.0
313.27231	96.0
429.89111	3.4
509.17188	5.4
521.38141	68.4
539.28546	4.8
621.74420	3.3
770.49762	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	782.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.0
55.26224	0.4
57.07039	0.8
60.08145	9.3
61.78540	0.4
67.05483	4.3
67.62061	0.4
69.07043	1.0
71.07027	0.4
71.07352	5.7
79.05460	4.6
81.07034	5.2
86.09677	49.6
87.09991	0.8
91.05437	3.2
93.07027	5.6
95.08559	3.9
96.65044	0.5
98.98426	4.5
101.66972	0.5
104.10686	3.5
105.06990	1.1
107.08554	2.6
109.10110	1.2
114.63551	0.6
119.08506	2.2
121.10101	1.1
124.99962	35.0
130.93417	0.5
131.08492	1.2
133.10107	0.8
135.11571	0.9
143.00960	0.6
145.10054	0.7
147.11679	1.1
149.09576	0.6
149.13220	0.5
163.11174	0.5
184.07281	100.0
185.07593	2.4
194.13570	0.6
303.89224	0.6
309.24252	0.6
335.25629	1.1
533.77631	0.6
576.54572	0.6
585.44434	2.2
782.57056	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	781.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81382	1.1
55.01848	1.6
55.05499	7.1
57.03413	5.6
57.07064	9.0
59.04972	0.9
60.08146	1.8
61.02907	5.2
61.48427	0.8
61.54692	0.8
62.34245	0.9
67.05478	13.5
67.79816	0.8
69.03407	4.0
69.07047	5.0
71.04951	1.9
71.07363	1.2
71.08607	5.1
73.02888	3.9
77.21248	1.1
79.05454	8.7
80.76850	0.9
81.03387	4.6
81.07029	10.9
83.01357	1.0
83.04944	1.2
83.08598	5.2
85.02864	6.5
85.10165	3.6
86.09677	23.7
87.04437	1.2
87.10049	1.1
91.03927	1.6
91.05448	4.6
93.07000	8.5
95.04934	1.3
95.08572	12.1
97.02865	4.7
98.98440	1.8
101.02361	1.8
104.10711	1.1
105.07001	2.2
107.04948	1.3
107.08553	3.9
109.10153	4.3
117.06968	1.0
119.08600	1.0
121.10112	1.1
124.99962	17.4
127.03887	3.6
131.08549	1.6
132.72559	0.9
135.11613	1.0
145.10106	1.1
149.09673	1.3
149.13197	0.9
163.11159	3.2
166.17346	0.9
184.07277	49.6
185.07681	2.3
209.35921	0.8
209.57840	1.0
225.92752	0.9
243.08310	1.7
283.15079	9.4
313.27405	4.9
331.05585	1.1
501.22989	8.6
521.30756	6.8
521.38373	23.5
578.96735	1.0
781.46851	100.0
782.46930	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	782.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.1
57.03411	0.1
61.02908	0.1
67.05473	0.1
68.99754	0.1
69.03382	0.2
78.04680	0.8
79.05462	0.9
81.03357	0.1
81.07033	0.2
84.87624	0.1
85.02876	0.6
91.05418	0.7
93.06993	0.7
95.04913	0.4
95.08560	0.1
96.05695	0.1
103.05406	0.4
105.04525	0.1
105.06998	0.9
106.04162	0.5
107.04921	1.4
107.08488	0.1
109.02821	0.1
111.07996	0.1
115.05413	0.1
119.04918	0.1
119.08546	0.1
121.06461	0.5
121.10062	0.1
123.04375	2.7
124.05165	1.3
125.05965	0.1
129.06975	0.1
133.06458	1.2
134.03558	0.1
135.04332	0.1
137.02246	0.4
137.03166	0.1
137.05931	0.6
139.03842	0.1
140.04640	0.1
149.05916	0.9
151.03831	0.6
151.07489	0.1
152.04634	1.3
161.05920	0.9
163.03802	0.1
163.07458	0.1
166.06139	0.2
167.06967	100.0
168.07298	2.4
169.07497	0.4
178.06209	0.1
179.06952	0.3
181.08513	1.2
187.07314	0.1
189.09047	0.1
191.06900	0.1
193.08524	4.9
194.08958	0.1
195.02805	0.1
195.10088	0.5
207.10213	0.1
211.09569	10.0
212.09940	0.1
219.02806	0.1
219.10069	0.4
220.10529	0.1
220.61310	0.1
224.98117	0.1
248.46016	0.1
253.10536	0.2
260.25647	0.1
299.05307	0.3
313.06641	0.1
322.08893	0.1
325.06412	0.1
329.06372	0.4
353.06454	0.1
365.06659	0.1
383.07401	0.4
385.16193	0.1
403.17361	0.1
417.65405	0.1
419.09625	0.3
421.18204	0.1
543.80701	0.1
631.80334	0.1
649.91602	0.1
691.52661	0.1
729.23212	0.3
790.82068	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.2
57.07061	11.9
60.08134	6.9
67.05473	7.3
69.07043	15.5
71.07330	2.4
71.08605	6.4
79.05473	2.7
81.07026	8.3
83.04915	1.8
83.08592	6.1
85.10134	2.0
86.09679	35.3
87.10021	1.2
91.05428	1.8
93.06987	2.4
95.08561	7.3
97.10119	3.2
105.06998	1.4
107.08532	1.5
109.10112	5.0
121.10117	1.3
123.04371	1.7
124.99957	28.2
131.04855	11.0
153.69408	1.4
165.06915	2.2
178.07677	1.5
179.08490	1.8
184.07281	69.5
185.07614	2.9
187.03838	39.7
193.10130	5.6
203.08507	4.6
205.10017	2.8
207.08157	1.5
209.09492	2.5
219.07939	2.5
221.09534	7.6
225.09019	3.0
231.08018	8.6
233.09462	7.1
235.07433	1.6
237.08948	10.2
239.06947	19.7
239.10599	7.6
240.07693	1.8
241.08516	10.5
245.09418	2.0
247.07561	1.9
249.08929	10.5
250.06023	1.3
251.10571	1.7
253.08560	10.9
254.09309	2.5
259.07541	2.0
261.09018	7.6
264.07626	2.4
265.08459	5.8
267.06442	6.1
267.10059	8.2
268.07275	5.3
269.08087	5.2
277.08463	18.5
278.09213	2.6
279.10086	5.0
280.07147	2.1
281.07758	1.6
283.09515	3.0
291.10117	2.9
293.07990	5.5
293.11636	1.8
295.09543	13.8
305.08209	2.3
306.09082	1.6
307.09650	2.8
308.06723	2.2
309.10886	1.4
311.09036	100.0
323.09021	26.3
325.10718	2.7
325.19278	1.4
357.14423	1.6
553.36444	4.9
561.38788	7.2
571.37048	2.8
589.38623	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	781.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.5
55.05434	1.3
55.05661	0.3
57.03345	2.6
60.08072	0.3
60.39300	0.3
61.02825	5.3
67.05401	9.2
68.88757	0.3
69.03316	3.4
69.06989	1.0
71.04890	0.5
73.02798	5.2
79.05455	2.8
81.03297	2.6
81.06934	5.0
83.08533	0.6
85.02782	6.8
86.09587	1.5
90.38578	0.3
91.03910	4.6
91.05352	1.8
93.07008	3.9
95.04872	0.5
95.08574	3.5
97.02848	5.8
99.04372	0.6
101.02345	2.2
105.06911	0.4
107.08587	2.2
109.02753	0.7
109.10125	6.9
115.03824	0.3
119.08431	2.0
121.10020	1.9
123.11586	0.4
124.99879	1.3
127.03773	1.7
131.08408	0.6
135.11545	1.5
145.04849	0.5
145.10013	0.5
173.11537	1.9
173.12920	0.4
184.07253	3.1
185.04074	0.7
195.09773	0.5
209.64253	0.4
229.14148	0.6
243.08318	2.6
262.04944	0.3
282.20273	0.4
316.10593	0.3
335.25714	1.4
413.17664	9.7
503.20844	0.5
519.29169	9.2
667.47040	0.3
671.20367	0.4
691.40039	100.0
692.40417	4.0
763.41962	0.6
781.42090	18.5
782.42499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05495	2.6
57.03421	3.5
57.07069	0.6
60.08142	0.4
61.02908	8.0
65.03956	0.3
67.05485	9.0
69.03401	4.6
69.07034	1.0
71.04969	0.6
73.02892	6.5
75.63779	0.4
78.72754	0.4
79.05461	3.9
81.03387	1.6
81.07034	5.3
83.08598	0.6
85.02879	6.3
86.09698	2.1
87.04439	0.8
91.03913	4.6
91.05463	2.4
93.07004	4.1
95.04961	0.6
95.08578	4.7
97.02859	7.1
99.04433	1.7
101.02353	2.8
105.07004	0.9
105.28451	0.5
107.08537	2.9
109.02853	0.6
109.10112	5.7
117.06975	0.6
117.10567	0.4
119.08559	0.9
121.10139	1.0
124.99966	2.6
127.03888	2.5
131.08537	0.7
133.10051	0.4
135.11655	0.5
145.10156	0.6
147.11595	0.6
173.11758	1.8
184.07324	4.5
185.04263	0.5
194.11081	0.5
195.09889	1.0
203.05109	0.5
229.14417	0.9
243.08423	2.7
260.49969	0.5
335.25754	1.7
368.83972	0.4
384.86292	0.4
413.17685	8.1
431.13229	0.4
502.86722	0.5
519.29138	12.2
521.38031	1.6
600.72113	0.5
601.28900	0.5
691.40051	100.0
692.40558	2.3
709.92572	0.5
763.42072	0.5
780.39423	0.5
781.42780	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	781.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
57.03407	2.4
57.07064	0.8
60.08121	0.7
61.02903	6.4
61.49293	0.4
62.36415	0.4
65.03893	0.5
67.05483	10.9
69.03406	4.9
69.07031	0.7
71.04939	0.5
71.08596	0.6
73.02879	4.8
78.53716	0.5
79.05455	2.9
81.03391	2.6
81.07024	4.8
83.08604	0.6
85.02885	6.8
86.09672	3.5
87.09966	0.5
91.03921	4.9
91.05457	2.5
93.07000	4.1
95.08556	3.7
97.02871	5.8
99.04365	0.6
101.02351	2.5
104.57182	0.7
107.08563	3.3
109.02853	0.9
109.10122	8.2
117.06994	0.7
119.08537	1.0
121.10026	0.5
124.99964	3.2
127.03898	2.3
131.08492	0.5
135.03644	0.5
145.04897	0.7
173.11653	3.6
183.20303	0.6
184.07292	8.4
185.04178	0.8
185.07599	0.7
208.81825	0.7
243.08304	3.3
320.06122	0.5
335.25500	0.9
338.98529	0.6
393.10669	0.6
405.79422	0.7
413.17639	15.6
519.29138	9.1
521.38306	0.7
529.41571	0.6
691.40076	100.0
692.40192	2.8
735.41931	0.8
763.40692	0.6
781.43127	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.7
55.05484	2.0
57.03413	3.5
61.02906	8.9
65.96969	0.4
66.04045	0.5
67.05478	7.1
69.03400	5.1
69.07040	2.3
71.01330	0.6
71.04922	0.8
73.02885	6.3
79.05450	5.5
81.03378	2.8
81.07025	5.7
83.08595	0.5
85.02871	8.8
86.09688	2.5
89.15996	0.5
91.03923	4.6
91.05451	3.9
93.06998	7.8
94.76767	0.5
95.08547	3.9
97.02853	8.2
99.04418	0.8
101.02350	2.5
103.03956	0.5
103.29282	0.4
105.07008	2.9
107.08581	3.7
109.02852	0.8
109.10131	2.6
117.06984	0.6
119.08537	0.8
121.10078	3.5
124.99971	1.1
127.03920	2.1
131.08553	1.2
133.10141	0.9
135.11699	0.9
145.10080	0.8
149.09509	0.6
184.07314	4.3
203.05289	0.6
243.08415	1.1
267.11942	2.0
268.52222	0.5
285.12994	2.4
299.30704	0.6
335.25739	1.2
439.25208	0.5
485.20041	2.8
503.20978	1.0
519.29120	10.5
763.42133	7.7
775.52100	0.6
781.43127	100.0
782.43036	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	781.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
57.03413	1.4
61.02905	7.0
67.05482	8.4
69.03392	3.6
69.07038	1.2
73.02894	6.6
76.77340	0.6
79.05444	5.0
81.03385	1.6
81.07025	6.5
83.08630	1.1
85.02874	6.0
86.09689	3.8
91.03937	4.0
91.05453	2.9
92.09335	2.9
93.07022	4.5
95.04929	0.7
95.08548	5.0
97.02850	6.0
101.02367	0.8
107.08559	1.6
109.10157	0.8
115.68847	0.7
121.10123	3.3
124.99986	1.0
127.03893	1.6
131.08546	2.6
134.31447	0.7
135.11725	0.9
145.10236	0.8
160.09465	0.8
184.07278	5.6
243.08315	1.3
267.12061	1.1
285.13043	1.3
336.65646	0.8
379.74271	0.8
389.52325	0.8
485.19870	4.3
503.20886	1.2
519.29327	7.0
561.69012	0.8
574.00909	0.8
763.42224	6.6
781.42957	100.0
782.43146	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	780.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81472	0.1
56.05016	0.8
58.06585	0.2
58.60603	0.1
59.07367	0.1
60.08143	8.0
62.67360	0.1
67.05487	0.3
71.07349	4.7
72.17707	0.1
72.68881	0.1
80.28391	0.1
81.07044	0.3
86.09676	45.3
87.09976	0.2
91.05473	0.1
94.51476	0.1
95.08573	0.2
98.98428	4.0
104.10699	2.6
124.99958	33.6
143.00995	0.8
177.43694	0.1
184.07280	100.0
185.07585	0.2
222.14786	0.2
261.93494	0.1
302.72668	0.2
323.90359	0.2
358.30750	0.1
359.72809	0.1
520.32880	0.2
543.34851	0.2
780.55243	5.3
798.62317	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	3.9
55.05281	1.8
55.05494	32.1
57.03417	21.5
57.07041	9.0
60.08135	6.8
60.25449	1.9
61.02898	3.0
62.12863	1.8
67.05479	85.2
69.07037	23.4
71.04974	3.2
71.07336	4.2
71.08622	1.9
73.02919	2.2
79.05006	2.8
79.05457	76.7
81.03358	2.6
81.07022	78.8
82.07378	2.6
83.04935	3.7
83.08567	12.4
85.06494	2.3
86.09674	41.0
87.01311	1.7
91.04900	3.9
91.05441	83.2
92.05776	2.4
93.07006	73.5
94.07320	3.9
95.04905	11.7
95.08566	55.0
96.08885	2.1
97.06474	7.7
97.10118	2.1
98.98395	3.1
103.05447	2.6
104.10726	2.5
105.04478	2.1
105.06995	84.3
106.07317	2.2
107.04902	3.4
107.08550	33.8
109.06461	2.9
109.10120	23.7
115.05389	2.8
117.06989	19.4
119.08530	57.6
121.10091	31.5
123.11627	3.9
124.99957	34.7
128.06194	2.7
129.06960	23.4
131.08527	34.6
133.10083	52.7
135.08066	2.3
135.11627	16.9
142.07704	2.6
143.08502	17.6
145.10057	29.6
147.11641	41.0
149.13210	4.5
157.10051	18.5
159.11641	17.3
161.13200	10.4
171.11620	25.1
173.13170	7.9
175.14708	2.4
183.11575	3.5
184.07272	100.0
185.13120	3.5
187.14735	8.1
189.16339	3.3
203.17885	3.4
208.78044	1.8
211.14696	3.1
213.16385	21.6
215.17761	1.8
219.17381	2.8
231.17352	27.6
259.20297	2.5
261.22046	2.1
292.25955	2.0
305.21002	12.8
307.22546	3.3
308.23010	2.2
335.25742	41.4
338.95044	2.0
349.83643	1.9
475.40930	2.2
565.41565	3.2
581.41669	2.4
582.41821	9.3
583.43134	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05481	1.0
57.03416	3.3
61.02908	7.1
67.05476	4.9
69.03406	4.2
69.07037	1.7
71.04955	0.8
73.02885	4.5
79.05458	5.0
81.03380	4.1
81.07021	6.2
83.04985	0.4
83.08595	0.6
85.02874	6.7
86.09700	0.7
91.03916	3.4
91.05447	3.8
93.06999	5.4
95.04955	0.6
95.08567	3.5
97.02851	7.5
99.04434	1.0
101.02365	2.5
103.03934	0.5
105.07013	2.2
107.08562	2.4
109.02860	0.7
109.10134	1.7
111.08096	0.4
115.03819	0.5
117.06987	0.5
119.08593	0.8
121.10123	2.7
123.11660	0.8
127.03855	3.0
131.08546	1.7
133.10083	0.9
135.11662	0.9
145.10004	0.5
147.11636	0.9
149.09630	1.7
184.07346	0.9
185.04172	0.4
192.00204	0.4
193.12245	0.8
225.14825	0.6
243.08395	2.3
267.16037	0.5
282.77789	0.5
283.15021	6.3
335.25793	0.8
339.17892	0.6
368.00781	0.5
391.22922	0.4
501.22916	8.0
519.29041	9.2
632.63635	0.4
671.98944	0.4
736.01434	0.5
779.45221	100.0
780.45197	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	780.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40345	1.5
55.05491	29.8
57.03412	19.0
57.07061	4.6
59.72256	1.7
60.08142	9.9
62.03431	2.1
64.51450	1.8
66.13306	1.8
67.05482	76.9
69.07047	25.2
79.05465	89.0
81.03385	4.8
81.07027	71.6
83.04967	3.5
83.08600	11.3
84.98329	2.2
85.02883	3.3
86.09671	46.7
91.05445	81.5
92.09348	6.4
93.06422	4.4
93.07008	100.0
93.69833	2.1
94.75202	2.2
95.04904	14.9
95.08566	52.7
97.06499	3.3
97.10128	2.9
105.04503	3.2
105.06995	85.8
107.04922	2.6
107.08569	34.8
109.10122	25.7
111.08045	2.2
116.48188	1.9
117.06992	24.8
119.08541	59.8
121.06489	2.5
121.10107	32.8
123.06881	2.0
123.11620	2.6
124.99954	35.6
125.04646	2.1
125.95528	2.0
127.52403	1.9
129.06964	18.0
131.08511	32.2
133.10080	46.2
135.11633	20.8
143.08485	16.6
144.09380	2.5
145.10080	28.3
147.11658	40.5
149.09592	3.7
149.13196	9.3
155.08490	3.6
157.10086	12.1
159.11606	23.2
161.13173	16.9
169.10077	2.3
171.11603	18.8
173.13264	10.7
175.14751	5.1
184.07274	97.8
185.13194	10.8
199.14821	2.7
213.16377	8.4
231.17387	3.4
241.19493	12.8
259.20465	33.1
261.22284	2.6
263.53922	2.1
263.99020	2.2
307.22546	38.5
333.24152	23.2
335.25546	4.8
408.62802	2.2
491.38480	4.2
520.40912	2.8
527.22797	2.4
565.42322	4.1
583.43481	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81418	1.0
55.05491	1.5
57.03405	1.9
61.02893	5.8
64.73781	1.1
67.05475	6.3
67.73682	0.9
69.03405	2.3
69.07029	2.4
73.02886	5.6
79.05462	9.5
81.03388	4.5
81.07020	7.2
85.02873	7.0
86.09660	4.9
91.03952	1.8
91.05453	7.0
93.07028	4.4
95.04932	2.1
95.08572	5.5
97.02865	2.6
99.30826	1.2
105.06991	5.0
107.04926	1.2
107.08563	2.2
109.10101	1.7
111.08102	1.2
115.05341	1.2
119.08567	6.1
121.10108	1.7
125.00005	2.0
127.03864	1.3
131.08516	1.2
133.10110	2.2
135.11714	1.2
145.10081	1.8
147.11655	1.5
148.48474	1.1
157.10164	1.7
159.11673	1.3
170.31808	1.1
184.07256	9.9
193.12234	2.0
193.19144	1.1
198.11922	1.0
203.05251	1.4
243.08267	2.2
263.90961	1.2
273.29251	1.4
279.11676	1.3
469.20300	10.8
509.32413	1.7
548.30383	1.6
551.28174	1.8
597.60132	1.4
779.41565	100.0
780.41974	2.7
785.61926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.5
57.03411	15.0
58.82020	5.4
67.05470	59.3
69.07030	9.5
70.79415	7.0
71.25054	6.7
79.05453	48.3
81.07034	68.5
86.09698	9.0
91.03910	7.7
91.05434	25.6
93.07014	58.1
94.42754	6.1
95.08577	56.2
105.07011	23.8
107.08531	25.5
109.10156	11.2
117.06934	7.4
119.08556	11.3
121.10100	29.7
123.29574	6.4
131.08549	8.3
133.10103	10.5
135.11633	14.3
147.11662	9.9
159.11659	9.9
171.33670	6.2
261.21844	8.3
291.04498	7.5
307.22565	73.6
335.25659	100.0
396.72949	6.1
411.84158	8.1
567.43707	26.8
585.44678	14.8
608.00427	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	779.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
55.75745	0.9
57.03413	2.2
57.55948	0.8
60.08144	1.0
61.02906	5.5
67.05484	6.2
69.03413	4.9
69.07056	1.8
73.02892	6.5
79.05468	6.0
81.03397	5.8
81.07030	6.0
81.46067	0.8
83.04949	1.6
83.08578	1.2
85.02894	7.7
86.09689	7.2
88.91123	0.8
91.03905	2.1
91.05446	7.9
93.07019	4.8
94.65234	0.8
95.04962	4.1
95.08579	3.8
97.02872	4.9
101.02373	2.0
105.07008	5.8
107.08567	2.1
109.10109	0.9
117.06942	0.9
119.08562	4.2
119.94913	0.9
121.10121	1.0
124.99969	6.7
127.03904	0.9
129.06966	1.1
129.52757	0.9
134.62247	0.8
135.11603	1.2
147.11610	1.1
157.10062	1.4
175.11247	1.2
184.07298	17.7
193.12225	1.3
243.08441	3.4
251.12546	3.4
333.20303	4.6
469.20258	11.7
551.28339	6.5
752.31726	1.0
779.41644	100.0
780.42078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60810	0.1
54.81293	0.2
55.05514	0.1
55.50567	0.1
56.05022	0.6
58.06577	0.3
60.08142	9.7
67.05489	0.2
71.07344	4.5
79.05461	0.2
86.09677	50.6
93.07030	0.2
98.98435	4.6
104.10710	2.9
105.70272	0.2
124.99959	36.4
143.00983	0.6
147.64404	0.1
184.07280	100.0
185.07637	0.4
299.49075	0.2
608.89496	0.2
778.53564	4.6
782.31299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58656	0.6
54.80978	0.8
55.05500	10.8
57.03418	8.5
57.07059	1.7
57.53954	0.7
60.08138	8.8
61.02902	1.3
62.73252	0.7
65.03915	0.7
67.05479	37.8
68.40973	0.8
69.02436	0.7
69.07036	10.1
71.07335	4.1
79.03660	0.7
79.05460	28.5
81.07020	41.7
83.08597	4.4
85.02842	1.8
86.09677	41.2
86.10201	1.8
91.05437	17.4
93.07010	29.8
95.04919	3.6
95.08569	32.0
97.02853	1.2
97.06481	1.8
97.10136	1.3
98.98403	1.9
99.08008	1.0
104.10669	1.7
105.06993	11.2
107.08552	17.6
109.06522	1.1
109.10107	12.4
111.08082	0.8
117.06973	5.0
119.08534	12.0
121.10081	11.3
123.07975	1.0
123.11669	1.7
124.99956	29.7
131.08528	8.3
133.10074	7.5
135.11655	8.5
137.85362	0.8
143.08569	1.2
145.10040	5.5
147.11659	7.1
149.13245	4.6
159.11621	4.0
161.13193	1.4
163.14705	1.0
166.65424	1.1
171.11699	0.9
173.13129	2.9
184.07275	100.0
189.03709	0.9
229.19470	3.2
247.20529	1.9
259.20514	1.4
261.22095	4.4
273.68698	0.9
275.59979	0.8
321.24081	23.6
323.25897	1.7
335.25699	20.6
337.27051	3.5
525.82935	1.0
581.45422	8.8
599.46503	7.7
639.08234	0.9
778.53827	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	778.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	11.2
55.05489	18.5
57.03406	11.9
60.64293	1.8
65.87695	1.9
67.05155	2.7
67.05481	45.0
69.07036	33.5
71.04929	2.6
79.05460	48.3
81.03394	2.1
81.07027	55.0
83.04943	4.7
83.08603	4.0
83.16526	1.8
86.09681	2.4
91.05424	34.6
93.07001	29.8
95.04916	8.0
95.08562	31.8
97.06499	4.0
105.06978	14.0
107.04911	12.4
107.08552	20.8
109.06478	19.0
109.10117	9.3
117.06963	10.2
119.08533	14.3
121.10084	12.9
125.09593	2.4
131.08517	21.9
133.10098	8.3
135.08002	4.3
135.11673	2.3
145.10065	8.2
147.11632	2.8
149.09589	14.2
151.11096	2.5
157.10094	2.9
159.11592	2.9
163.11116	2.9
167.55742	2.3
175.11179	3.7
184.07251	5.0
191.14211	23.8
220.69839	2.3
239.28825	2.0
247.16716	3.5
275.19974	3.2
307.22534	3.0
321.20532	14.0
335.25662	37.5
581.41785	100.0
582.41718	2.9
613.92072	3.1
759.89526	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	778.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81068	1.6
55.01859	14.1
55.05497	24.3
57.03400	13.1
65.03889	2.2
65.88365	2.1
67.05481	49.4
69.03444	1.6
69.07040	55.3
69.13138	1.8
79.05460	54.0
81.03382	3.3
81.07026	58.1
83.04945	9.6
83.08575	11.4
86.09672	11.8
91.05429	37.4
93.07008	50.2
95.04926	8.8
95.08558	33.2
96.61350	1.8
97.06483	12.2
101.51840	1.9
103.05351	2.0
105.07001	24.8
107.04935	20.8
107.08564	26.4
109.06491	17.4
109.10104	12.6
116.16919	2.1
117.06960	11.1
119.08501	16.4
121.10091	21.6
124.99960	4.6
125.29247	2.1
129.06972	2.8
131.08517	26.5
133.10089	11.4
135.07968	15.2
135.11644	2.8
145.10043	11.6
147.11647	7.6
149.09547	31.0
151.11096	3.8
159.11716	2.5
161.13272	2.4
173.13293	2.7
183.10019	3.8
184.07268	23.6
191.14250	8.1
247.16895	3.8
273.43365	2.3
275.19952	10.8
307.22433	4.3
321.20584	14.5
332.30609	2.8
335.25662	44.8
349.23322	3.2
393.10394	2.1
431.31516	3.0
487.71341	2.1
581.41840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05492	2.0
57.03423	2.6
61.02903	6.1
62.35588	0.4
66.86497	0.3
67.05482	5.7
69.03410	4.0
69.07050	0.6
71.01334	0.4
71.04964	0.6
73.02883	4.0
79.05461	5.1
81.03384	3.4
81.07040	4.1
83.04963	0.7
85.02870	6.1
91.03923	3.3
91.05433	2.6
92.62745	0.4
93.07008	4.9
95.04943	0.8
95.08559	3.0
97.02853	5.7
98.34413	0.4
99.04447	0.8
101.02358	2.8
105.06977	2.1
107.04912	0.3
107.08577	1.8
107.51898	0.4
109.02856	0.8
109.10154	0.9
110.51692	0.3
111.04446	1.7
117.06954	0.9
119.08570	2.0
121.10108	2.5
123.08057	0.6
127.03877	1.4
131.08540	0.8
133.81538	0.3
135.11681	1.5
144.00052	0.4
144.26672	0.4
145.04941	0.6
145.09123	0.4
145.10042	2.9
153.12776	0.4
161.13243	0.4
163.11131	3.8
184.07315	0.6
185.04196	0.7
191.10582	0.4
203.05357	0.4
209.11700	0.6
223.13290	2.5
241.14372	0.9
243.08334	3.4
281.13513	6.2
335.25974	0.7
337.16202	0.6
342.95178	0.4
380.04501	0.4
386.25980	0.5
417.62027	0.4
444.52722	0.4
467.18887	0.4
499.21393	12.0
499.28241	0.7
519.29022	5.2
777.43652	100.0
778.44012	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	778.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86565	0.0
55.01854	0.1
61.02874	0.0
67.05473	0.1
68.99757	0.1
69.03392	0.3
78.04680	0.8
79.05459	0.8
80.16872	0.1
81.03371	0.3
81.07001	0.1
85.02869	0.9
87.74748	0.0
91.03922	0.1
91.05447	0.6
93.07006	0.5
95.04929	0.3
96.05708	0.1
96.23244	0.0
96.91153	0.0
97.02845	0.2
103.05422	0.3
105.04542	0.0
105.06990	0.7
106.04134	0.7
107.04928	1.3
115.05419	0.1
117.06967	0.1
119.04922	0.1
121.06443	0.5
122.03610	0.3
123.04378	3.4
124.05166	1.5
125.05959	0.1
127.03842	0.1
129.06960	0.1
131.08466	0.1
133.06448	0.6
134.03598	0.2
135.04387	0.1
137.05933	2.0
143.04926	0.1
145.05084	0.1
145.06445	0.3
149.05934	0.9
151.03831	0.7
151.07521	0.1
152.04628	1.3
156.05669	0.1
157.06361	0.1
159.07962	0.1
160.05109	0.1
161.05940	0.7
163.03828	0.1
163.07402	0.1
166.06230	0.1
166.83429	0.1
167.06970	100.0
167.29922	0.1
168.07312	0.8
173.05991	0.4
175.07468	0.9
179.06989	0.2
180.08623	0.1
181.08501	0.8
187.07439	0.4
189.09061	0.1
190.06161	0.1
193.08536	3.0
203.06967	0.1
205.08664	0.5
211.09581	6.9
217.08540	0.4
219.10008	0.1
235.09497	0.3
247.09731	0.1
265.10638	0.2
277.08478	0.1
293.11609	0.1
300.09763	0.1
321.11368	0.1
341.13763	0.1
353.13687	0.2
371.14746	0.5
505.12326	0.1
761.97937	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	777.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.9
55.05492	1.6
56.10301	0.3
56.94576	0.3
57.03412	2.7
61.02906	5.8
67.05476	3.9
69.03406	4.3
69.07040	1.7
71.04973	0.5
72.85583	0.4
73.02879	4.8
79.05476	4.2
81.03389	3.6
81.07026	5.7
83.01289	0.5
83.04971	0.7
83.08597	2.0
85.02888	5.4
86.09676	1.5
91.03941	3.2
91.05467	4.0
91.96684	0.4
93.06995	4.6
95.04942	2.2
95.08560	2.4
97.02858	5.2
97.06512	0.6
99.04416	1.5
101.02351	2.2
105.07007	2.4
107.08595	2.2
109.02853	0.7
109.06464	0.5
117.06979	0.8
119.08531	3.0
121.10133	1.5
123.07993	0.5
124.76025	0.4
124.99953	1.0
127.03885	1.7
131.08554	0.8
133.10088	2.2
135.11652	1.7
145.10065	2.0
147.11676	0.6
157.10130	0.6
163.11163	2.0
181.12390	0.4
184.07269	3.1
185.04231	0.9
191.10979	0.4
203.05266	0.6
229.89256	0.4
243.08296	3.3
283.15421	0.5
287.06277	0.4
331.18851	0.5
333.20288	0.9
467.18689	5.8
469.20200	3.5
549.26526	0.7
551.27917	2.8
777.40039	100.0
778.40234	3.4
783.89703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.8
57.03416	2.3
58.01068	0.4
58.96939	0.4
61.02909	6.0
67.05485	5.7
69.03407	3.2
69.07033	0.9
71.04974	0.6
73.02891	4.9
76.48668	0.5
76.97353	0.5
79.05466	4.7
81.03393	1.3
81.07017	4.3
83.04974	0.5
85.02874	6.9
91.03934	3.0
91.05473	2.6
93.07002	4.6
95.04912	0.6
95.08575	5.5
97.02855	4.8
99.04424	0.7
101.02361	1.4
105.07017	0.9
107.08583	3.2
109.02827	0.7
109.10128	1.2
117.06997	0.8
119.08556	0.7
121.10117	2.8
125.05970	0.5
128.61659	0.6
131.08530	1.1
133.10120	0.8
134.80151	0.5
135.11661	1.2
136.95244	0.6
163.11252	1.0
243.08295	1.0
251.17145	0.5
281.13556	7.8
335.25778	0.8
499.21335	4.7
519.29150	7.3
777.43640	100.0
778.44116	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	777.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
57.03421	1.9
60.16494	1.0
61.02898	1.7
67.05485	4.7
67.33894	1.0
69.03404	1.8
69.07024	1.5
69.72903	0.9
71.99484	1.2
79.05467	5.6
79.70879	1.1
79.88299	1.0
81.03389	2.5
81.07021	5.0
85.02890	2.8
85.26419	1.2
86.09681	6.0
91.05457	5.3
93.07029	4.6
95.04985	1.3
95.08583	2.0
95.68718	1.0
97.02878	1.6
104.10818	1.1
105.07040	2.1
105.49471	1.1
114.68174	1.3
117.55253	1.0
119.08527	1.3
124.99947	4.8
133.10059	1.3
135.84367	1.0
144.63104	1.2
170.55054	1.1
184.07317	12.6
199.35513	1.1
240.26761	1.4
243.08446	2.4
258.27829	2.0
264.17645	1.2
469.20416	7.1
478.50095	1.2
536.38074	1.4
583.10693	1.4
720.38403	1.4
776.41870	1.8
777.39197	100.0
778.38904	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05496	1.9
57.03421	2.8
59.63086	0.4
60.08137	0.7
61.02904	6.1
67.05476	5.9
69.03415	4.6
69.07050	2.8
70.54005	0.4
71.01321	0.4
71.04988	0.5
73.02892	5.1
79.05466	5.4
81.03403	3.6
81.07032	7.3
83.01324	0.6
83.04959	2.7
83.08611	0.8
85.02875	6.5
86.09674	5.1
91.03902	3.8
91.05453	4.5
92.91085	0.5
93.07031	4.7
95.04961	1.9
95.08569	2.5
97.02861	6.2
97.06513	1.7
99.04441	1.0
101.02351	3.0
105.07014	3.5
107.04909	0.8
107.08556	4.4
109.06532	0.9
109.10126	0.6
111.04414	0.5
117.07030	2.1
119.08544	2.4
121.06512	0.5
121.10117	2.4
123.08066	1.0
124.99992	3.0
127.03904	2.2
129.06947	0.6
131.08531	0.9
133.10110	2.1
135.11678	2.0
137.97650	0.5
141.17877	0.6
145.10126	2.8
149.09639	0.6
159.11641	0.6
163.11153	2.8
173.00598	0.4
183.40128	0.5
183.61472	0.5
184.07262	9.0
184.71751	0.5
209.11723	0.5
243.08318	4.0
249.11034	0.6
251.12663	0.6
277.11539	0.4
283.15308	0.5
321.82199	0.6
333.20343	2.4
439.19412	0.7
453.20569	0.8
467.18799	11.6
528.02271	0.5
551.28339	5.0
643.32153	0.5
777.40002	100.0
778.39917	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	777.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05491	8.5
56.03596	1.1
57.03417	4.7
60.08147	2.9
61.02909	6.6
67.05473	10.9
68.97754	1.1
69.03416	5.0
69.07059	4.6
71.04967	1.1
73.02891	2.4
75.67848	1.1
78.32526	1.0
79.05458	9.0
81.03406	5.4
81.07024	11.0
83.04941	1.3
83.08611	2.4
85.02876	5.1
86.09663	17.8
91.03933	4.6
91.05434	10.2
93.07015	10.0
95.04934	2.7
95.08604	5.6
97.02864	5.5
97.10139	5.5
98.98408	1.4
99.04430	1.2
105.07005	6.7
107.04945	1.2
107.08581	4.9
109.10139	4.9
117.06998	4.4
119.08583	5.7
121.10131	2.7
124.99940	14.5
125.09624	4.9
127.03885	1.4
129.07010	1.3
129.83627	1.4
131.08572	4.9
133.10136	2.5
135.11635	2.3
145.10109	2.2
147.11697	1.8
163.11226	1.5
177.12923	1.2
184.07277	45.1
185.07698	2.8
189.11217	1.3
227.12918	1.3
243.08430	4.6
260.29593	1.3
301.09503	1.6
333.20346	5.9
467.18491	8.6
481.20255	1.4
543.36560	2.6
544.37189	4.8
551.28320	7.1
709.42310	5.3
725.38287	1.3
729.50659	1.3
777.40051	100.0
778.40033	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	775.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
57.07042	1.3
61.02911	7.4
67.05482	5.7
69.03419	2.6
69.07040	1.2
71.04990	1.3
71.08614	1.5
71.88605	0.9
73.02888	4.7
73.71798	1.0
76.35484	1.0
76.39909	0.9
79.05477	2.3
81.03399	1.5
81.07034	5.2
84.89583	1.0
85.02889	4.9
86.09702	1.6
89.09271	1.1
91.03931	4.3
92.08727	2.4
93.07021	1.3
95.08577	4.5
97.02850	8.2
99.04446	1.2
107.08620	1.1
109.10133	2.0
109.10892	1.0
116.50915	1.0
121.10134	1.3
127.03831	1.3
176.57695	1.3
184.07304	2.4
431.10724	1.1
497.30978	5.0
519.29468	7.9
775.53027	100.0
776.53107	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37458	1.8
55.01849	2.7
55.05495	30.1
57.03420	21.5
57.07044	4.9
60.08125	2.6
60.88115	1.8
65.03909	2.3
67.05481	76.2
68.40932	2.0
69.07045	31.1
71.04963	2.0
71.07334	2.0
71.08588	1.9
79.05466	32.0
81.03386	100.0
81.07027	85.4
83.04936	3.0
83.08598	33.2
86.09683	19.3
91.05443	40.1
93.07011	30.6
95.04947	36.8
95.08572	55.4
97.06472	3.0
97.10113	13.1
105.06989	30.9
107.04927	7.9
107.08549	16.2
109.06468	4.2
109.10119	30.0
111.08047	5.1
111.11747	2.0
119.08530	24.9
121.10081	16.8
121.32307	2.0
123.04337	2.3
123.11680	8.0
124.99937	12.6
129.06989	14.6
131.08507	12.6
133.06483	5.0
133.10071	12.0
135.11707	2.6
138.57480	1.9
145.09998	3.5
146.98169	2.7
147.07997	3.2
147.11662	12.7
149.09535	3.4
149.13170	2.3
151.13893	2.2
157.10059	12.5
159.73192	2.4
161.13199	4.2
163.14795	3.6
175.11104	8.9
184.07266	36.4
193.12224	25.2
248.12183	2.0
267.15805	70.4
294.35083	2.2
337.27258	75.0
489.35199	3.3
529.38672	69.6
547.39813	46.3
571.39594	8.4
613.35083	4.0
717.38684	2.6
776.43475	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	775.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05492	3.2
57.03421	2.3
57.07065	0.5
61.02900	6.4
65.03915	0.4
67.05479	8.1
69.03403	3.6
69.07050	2.0
71.04990	0.6
73.02898	3.9
79.05466	9.2
81.03406	3.8
81.07027	7.1
83.04953	1.9
83.08582	1.7
85.02879	5.3
86.09679	0.9
91.03920	3.1
91.05448	7.9
93.07001	7.4
95.04948	2.7
95.08563	4.4
97.02853	5.0
97.06544	0.6
97.10147	0.4
99.04442	0.8
101.02380	2.5
105.06995	6.8
107.04928	0.7
107.08559	3.9
109.02895	1.5
109.06523	0.5
109.10126	1.0
116.33208	0.4
117.07008	1.0
119.08524	3.7
121.06514	0.6
121.10116	0.8
123.08038	0.6
127.03933	1.0
129.07008	1.9
131.08516	0.7
133.10153	2.0
134.18649	0.4
135.11671	1.6
143.08601	0.8
145.10132	1.7
147.11659	2.5
159.11534	0.4
161.09583	0.5
161.13245	0.4
162.49306	0.4
171.11659	2.7
173.36935	0.4
184.07347	1.6
185.04218	0.6
207.13788	0.7
221.98228	0.4
243.08316	3.1
247.13062	1.8
317.40488	0.4
333.20142	4.3
338.04932	0.5
439.19278	0.8
453.20963	0.5
465.20816	14.2
551.28210	5.4
775.42108	100.0
776.42310	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	775.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05487	3.0
57.03420	2.1
61.02904	6.9
61.36089	0.6
65.03910	0.4
67.05482	7.6
69.03409	4.0
69.07056	3.2
71.01344	0.6
71.04996	0.5
73.02888	5.0
79.05461	8.8
81.03375	4.3
81.07030	9.4
83.04958	2.4
83.08596	0.8
83.24012	0.5
85.02886	4.9
85.41958	0.5
86.09648	0.6
91.03927	3.0
91.05436	6.0
93.07005	7.5
95.04948	3.4
95.08571	4.3
97.02852	5.2
97.06501	0.7
99.04444	0.8
101.02359	2.9
105.07002	6.3
107.04922	0.5
107.08578	3.4
109.02902	0.6
109.06502	0.6
109.10132	0.7
117.07005	1.0
119.08566	3.4
121.06490	0.5
121.10121	1.1
123.08064	0.6
127.03888	1.2
129.06995	0.8
131.08563	1.0
133.10095	2.6
135.11685	2.0
145.10098	0.9
147.11673	2.9
149.13277	0.7
161.13264	0.6
171.11618	0.9
184.07420	0.9
185.04143	0.5
203.05276	0.6
214.47296	0.5
230.28032	0.6
243.08310	4.5
247.13066	0.9
277.30832	0.6
313.94876	0.6
333.20575	2.2
373.45831	0.5
439.19659	1.0
445.91690	0.5
453.20935	0.7
465.20724	9.9
467.18936	0.8
551.28101	5.2
597.18427	0.6
605.80463	0.6
613.37616	0.8
624.19525	0.6
654.72345	0.6
677.34241	0.6
684.77283	0.6
757.38062	0.7
775.42078	100.0
776.42389	5.0
787.86230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.05494	3.0
57.00108	0.7
57.03418	3.6
61.02899	7.4
62.60269	0.7
65.95373	0.6
67.05166	0.8
67.05475	5.9
69.03406	4.1
69.07035	2.8
71.01333	0.8
73.02889	5.3
77.65612	0.6
79.05465	6.5
81.03378	3.8
81.07030	8.1
83.01295	0.8
83.04969	1.2
83.08598	1.5
85.02863	7.1
86.09665	0.8
91.03931	5.0
91.05432	7.6
93.07010	6.8
95.04929	3.1
95.08569	4.2
96.61069	0.7
97.02869	4.7
97.06453	1.1
99.04414	0.9
101.02357	1.6
105.06976	5.8
107.04949	2.8
107.08578	2.8
109.02864	0.9
109.06497	1.6
109.10136	1.0
111.23548	0.7
117.07013	1.0
119.08543	3.6
123.08059	1.2
127.03886	1.2
128.31548	0.7
129.07022	0.7
131.08521	1.3
133.10127	3.5
135.11688	1.3
145.10060	1.2
162.10164	0.8
163.11162	1.1
184.07307	1.0
193.12259	0.9
243.08328	3.2
255.06644	0.8
283.15442	0.7
301.18420	0.8
316.67203	0.7
324.91479	0.7
331.18698	3.4
465.21143	0.8
467.18729	7.2
531.25378	2.8
549.26373	3.5
551.28845	0.8
757.37170	7.6
775.38672	100.0
776.38379	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	774.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11189	0.3
54.80922	0.4
60.07874	0.4
60.08148	8.1
66.52872	0.3
70.71724	0.3
71.07077	0.3
71.07341	4.2
80.78762	0.3
81.07006	0.4
86.09679	45.8
98.98403	3.4
104.10710	2.1
107.08599	0.5
116.42027	0.4
124.99961	29.5
143.00975	0.6
162.24397	0.3
184.07285	100.0
198.03021	0.4
236.77559	0.4
257.28900	0.4
260.69534	0.4
274.83936	0.4
302.22217	0.4
319.07324	0.3
353.03625	0.4
756.55170	10.0
781.28064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.5
57.07061	53.7
67.05480	8.2
69.07055	17.1
71.08604	37.0
73.06519	14.3
79.05461	6.8
81.07034	14.2
83.08580	7.4
85.10159	16.7
87.04443	16.4
89.05994	100.0
91.05420	6.0
91.39001	2.7
93.06998	6.1
95.08581	5.8
97.10132	3.6
105.07008	6.2
107.07076	4.2
117.09168	4.1
119.08620	4.6
127.16399	3.6
133.08571	32.9
144.50467	3.3
177.11176	19.0
184.07176	6.9
226.00459	3.2
272.73596	2.9
299.29242	7.3
338.39670	3.6
343.31982	4.5
431.45538	4.1
757.56848	5.2
774.58984	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	775.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
55.05495	7.1
57.03418	4.1
61.02892	7.2
62.26016	0.9
67.05482	9.0
69.03405	5.8
69.07044	6.0
70.40363	0.9
71.04963	1.3
72.14763	0.9
73.02893	5.2
79.05455	11.8
81.03400	4.5
81.07028	9.6
83.04952	2.3
83.08575	2.4
85.02896	7.6
85.03657	1.0
86.09673	5.9
91.03940	1.9
91.05429	7.5
93.07009	10.3
95.04922	2.4
95.08574	5.4
97.02852	8.3
101.02335	1.7
104.21610	0.9
105.07018	6.1
107.04932	1.7
107.08585	2.5
109.06471	1.2
109.10146	1.4
110.34846	1.0
114.89046	1.0
115.03896	1.2
117.06965	1.9
119.08551	5.2
124.99970	5.5
127.03884	2.1
129.07013	1.1
131.08543	1.7
133.10030	2.3
135.11638	1.9
145.10118	2.1
147.11621	1.1
163.11203	1.7
171.11662	2.2
184.07294	14.3
223.13283	1.6
242.01686	1.0
243.08409	5.6
259.20795	1.2
291.19308	1.0
291.76849	1.2
465.21161	7.7
467.18842	6.9
549.26318	1.6
551.28534	4.4
637.22156	1.2
650.96759	1.3
775.39709	100.0
776.40039	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64376	0.4
60.08137	9.8
60.77974	0.5
63.00187	0.5
71.07349	6.1
85.72692	0.6
86.09670	49.5
87.09947	0.7
88.07590	0.5
92.09419	0.6
95.43813	0.5
98.98447	3.7
104.10695	3.0
124.99953	33.0
126.00255	0.7
129.92125	0.5
133.18233	0.5
160.12682	0.5
184.07266	100.0
185.07616	2.3
204.27365	0.5
294.96677	0.5
336.51022	0.6
558.83405	0.6
562.88574	0.6
629.76532	0.6
756.55115	10.8
774.54504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83142	0.8
55.01865	1.4
55.05494	22.3
55.05931	0.8
57.03417	25.0
57.07054	1.6
61.02905	0.9
65.03914	1.7
67.05477	67.6
69.03419	2.1
69.07041	17.9
71.04960	2.0
78.04242	1.0
79.05460	51.4
79.05912	1.9
81.03383	100.0
81.07022	64.6
83.04961	6.4
83.08115	1.8
83.08587	25.7
85.02895	1.0
85.06505	1.0
87.76176	0.9
91.05445	44.3
93.06424	2.1
93.07009	56.6
95.04929	31.2
95.08566	45.5
97.02853	2.1
97.06499	4.4
97.10146	5.8
99.08076	1.3
105.06996	27.8
107.04919	8.6
107.08561	30.5
109.06486	6.2
109.10119	22.6
111.08039	6.9
115.05412	1.4
117.06988	9.2
119.08552	30.9
119.09407	1.7
121.06467	5.2
121.10098	24.2
123.04359	1.3
123.08040	4.1
123.11667	6.1
125.09612	3.9
126.44505	0.9
129.06972	10.1
130.30258	1.0
131.08524	21.3
133.06464	4.3
133.10085	15.5
134.64856	1.1
135.08011	1.1
135.11630	13.3
137.09630	1.7
137.13249	1.2
142.07741	2.4
143.08533	3.9
145.10066	11.3
147.08034	4.8
147.11632	13.3
149.09601	6.3
149.13255	6.3
157.10094	10.2
159.11610	7.2
161.13237	5.3
163.11156	2.3
163.14789	2.0
165.12683	1.6
169.10051	1.1
171.11708	1.5
173.13139	3.2
175.11118	10.6
175.14717	1.1
185.13213	1.6
193.10468	1.7
193.12180	20.7
227.12704	2.2
243.20996	2.0
261.21991	14.2
267.15802	64.0
280.24777	0.9
301.25272	5.3
317.24576	1.9
335.25668	57.3
374.97742	1.1
435.27029	2.0
435.32434	2.1
453.33368	6.2
471.34885	1.5
507.07339	1.0
509.35886	1.6
527.37146	44.0
545.38202	43.1
545.46655	1.8
569.38330	4.2
717.11157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80832	0.7
55.01843	4.5
55.05248	1.2
55.05496	26.3
57.03156	1.2
57.03419	27.2
57.07058	1.2
58.49566	0.8
58.80823	0.7
60.65822	0.7
61.02896	1.4
64.32496	0.9
65.03912	1.8
67.05481	79.1
69.03394	3.6
69.06730	1.1
69.07043	18.9
71.04948	4.3
79.05460	58.3
81.03387	100.0
81.07026	73.0
83.04949	9.2
83.08588	23.7
85.02884	1.5
85.06523	3.3
91.05446	39.1
93.07008	63.4
95.04336	1.6
95.04931	33.5
95.07958	1.8
95.08566	52.0
97.02837	4.3
97.06477	4.3
97.10117	6.0
105.07001	34.5
107.04929	9.0
107.08560	29.2
109.06496	6.3
109.10137	20.9
111.08067	8.6
115.05463	1.1
117.06966	10.6
119.07748	1.3
119.08542	29.6
121.06472	4.2
121.10105	28.0
123.04378	1.2
123.08013	4.0
123.11666	5.8
125.09578	4.4
129.06969	12.2
131.08516	21.0
133.06422	5.7
133.10085	16.5
135.07977	2.1
135.11649	15.0
137.09581	1.4
142.07726	3.9
143.08522	3.6
145.10077	13.2
147.07994	4.9
147.11618	12.8
149.09596	6.0
149.13235	8.3
157.10086	9.6
159.11618	5.7
161.13205	4.5
163.11163	1.0
163.14793	1.7
166.02219	1.0
171.11615	1.7
173.13199	7.8
175.11130	9.1
175.14757	1.4
177.12729	1.2
178.99936	0.9
185.13284	1.0
187.14748	1.6
187.46910	0.9
189.11075	1.7
189.12735	1.1
193.12140	18.4
195.11617	1.3
199.14818	1.4
227.12666	4.5
235.13075	1.9
238.82524	0.9
243.20953	3.9
243.34354	0.9
248.57530	1.0
249.14618	1.1
261.22058	13.9
267.15799	65.7
273.14667	1.2
301.14035	1.1
301.25125	5.3
309.16797	1.8
317.24734	1.2
335.25677	62.9
346.47760	1.0
374.20438	0.9
435.27032	1.1
435.32321	2.1
453.33313	5.3
471.34641	1.5
527.37134	49.5
545.38165	47.7
545.46625	1.5
559.39294	1.8
569.37939	4.3
635.38641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.3
55.05500	71.9
57.03422	26.1
58.95305	3.0
61.02903	3.5
65.82544	3.3
67.05482	48.6
69.03419	5.7
69.07034	27.0
71.04966	7.2
79.05460	78.8
81.03394	77.5
81.07030	67.4
83.04949	32.2
83.08587	40.5
85.02856	28.4
85.06523	4.0
91.05457	65.2
93.06998	50.8
95.04934	32.6
95.08569	24.6
97.02840	5.3
97.06490	12.8
97.10140	64.0
99.55168	3.2
105.06998	62.3
107.04922	16.8
107.08550	70.0
107.86403	3.5
109.06513	6.3
109.10116	13.8
111.08035	14.0
117.06985	15.9
119.08534	31.1
121.10101	20.9
123.08018	6.1
123.11703	4.6
125.09617	43.2
129.07005	10.3
131.08521	18.6
133.10097	32.3
135.07976	3.9
143.00203	4.6
145.10106	20.8
147.11674	28.6
149.09618	16.4
157.10089	21.4
159.11610	5.3
161.13242	4.0
163.11121	5.1
175.11156	17.1
184.07228	4.2
189.11230	16.5
193.12190	43.5
211.13260	39.8
212.23714	3.9
220.23093	3.2
227.12689	44.3
249.14433	3.6
257.18893	7.7
267.15845	15.8
275.19846	35.6
285.16867	40.2
315.22485	3.6
349.23553	38.9
455.26144	7.6
463.14084	3.7
490.06305	4.0
541.34894	44.7
546.49908	3.8
559.36139	100.0
568.67401	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	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43451	1.1
55.01858	14.3
55.05496	38.4
57.03416	31.7
57.07053	1.6
61.02900	6.2
65.03920	2.2
67.05484	81.7
69.03413	12.5
69.07043	33.1
71.04969	11.0
72.81116	1.0
73.02876	1.5
73.73725	1.1
77.03885	1.2
79.05463	78.2
81.03386	82.7
81.07027	100.0
83.04951	28.5
83.08590	35.6
85.02877	37.1
85.06510	6.0
86.26822	1.1
91.05444	90.1
93.06426	2.4
93.07011	68.1
95.04935	39.5
95.08572	38.7
97.02843	9.9
97.06496	17.3
97.10161	12.3
99.04426	1.6
99.08062	2.9
103.05453	2.5
105.04501	1.8
105.06290	2.2
105.06998	67.6
107.04926	18.1
107.08559	41.5
109.06477	9.3
109.10122	13.4
111.04389	4.8
111.08015	13.7
113.05968	2.8
115.05369	2.2
117.06996	16.9
119.08535	46.1
121.06447	7.7
121.10103	23.4
123.08048	9.4
123.11664	2.1
125.09579	6.2
125.97404	1.3
126.27966	1.3
128.06149	1.5
129.06952	20.7
130.07703	1.3
131.08530	40.3
133.06406	2.7
133.10088	33.1
135.08003	2.5
135.11656	16.6
137.09570	6.5
137.19414	1.5
141.06941	2.3
142.07680	5.2
143.08498	2.9
145.10085	16.7
147.08017	2.0
147.11644	28.9
149.09595	19.0
149.13208	6.4
151.11057	2.1
155.08458	2.0
157.10092	22.4
159.07870	1.2
159.11642	15.5
161.09520	1.6
161.13202	1.9
163.11124	9.4
165.12711	5.7
169.10080	1.8
171.11566	4.7
173.13116	5.5
175.11092	17.0
177.12657	4.5
179.14310	1.9
185.13214	2.2
189.11136	2.4
193.12175	37.5
211.13220	40.5
217.19647	1.2
227.12720	1.6
255.15784	8.5
257.18866	6.7
267.15823	20.7
269.17401	17.4
275.19952	15.7
285.16864	44.3
349.23575	18.5
367.24774	1.5
404.08514	1.2
447.27081	8.4
461.28854	23.7
465.28293	14.0
479.29944	54.4
541.35010	8.9
559.36108	26.4
577.36969	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	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90379	1.2
55.01851	12.1
55.05494	37.7
57.03420	33.7
57.07050	2.4
59.04971	1.6
61.02898	5.9
65.03915	2.3
67.05482	89.4
68.05515	1.2
69.03412	12.1
69.07039	41.5
71.04962	11.1
73.02885	2.2
79.05463	69.7
81.03388	72.4
81.07026	100.0
83.04955	25.3
83.08592	35.5
85.02873	31.3
85.06509	7.5
91.03921	2.0
91.05444	70.3
92.08682	6.5
93.07011	75.3
95.04932	39.8
95.08579	40.9
97.02857	8.1
97.06476	16.1
97.10124	7.6
99.08035	2.5
105.07000	58.9
107.04925	15.5
107.08558	41.9
109.02824	1.5
109.06493	12.8
109.10131	18.3
111.04412	1.9
111.08035	14.3
113.05984	2.4
115.05435	2.4
117.06963	17.2
119.08542	49.9
121.06448	6.3
121.10103	30.2
123.08023	7.6
123.11655	6.1
125.09603	5.7
129.05460	1.5
129.06967	19.2
131.08533	28.1
133.06493	3.3
133.10091	36.7
133.66205	1.5
135.08031	3.3
135.11646	15.7
137.09554	6.3
141.06940	1.8
142.07751	2.5
143.08513	3.4
145.10063	18.9
147.08003	2.7
147.11633	26.5
149.09566	21.9
149.13223	13.5
151.11125	2.7
157.10071	19.6
159.11633	16.1
161.13158	2.6
163.11093	11.5
165.12755	5.1
169.10118	1.7
170.26587	1.5
173.13187	2.5
175.11107	14.4
177.12703	1.9
184.07268	1.8
185.13148	2.1
187.14702	5.7
189.03995	1.5
189.16396	1.7
193.12180	31.8
195.13791	1.9
201.16377	2.5
202.16582	2.0
205.15967	1.4
211.13223	39.2
211.15082	2.0
218.92316	1.8
229.14285	1.9
232.08829	1.5
255.15805	8.0
257.18939	2.5
267.15762	18.6
269.17383	24.5
275.19986	13.7
285.16876	31.5
299.22784	1.8
320.77734	1.4
349.23773	13.5
362.26346	1.4
391.63858	1.6
413.21756	2.1
439.26932	6.4
443.27753	1.6
447.27194	5.9
452.25531	1.5
461.28943	28.8
465.28439	17.3
469.29459	1.5
473.77939	1.6
479.29855	69.5
527.30255	5.4
528.30560	3.3
541.35016	8.4
559.36121	18.7
577.37164	6.6
623.34259	2.5
772.10327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.3
55.05492	33.3
57.03418	29.3
57.07062	2.2
58.90039	1.8
61.02899	5.7
67.05482	85.3
69.03404	9.9
69.07040	30.0
71.04966	10.6
71.30348	2.2
73.02898	2.4
79.05463	84.7
81.03388	75.3
81.07030	96.5
83.04944	23.5
83.08587	29.6
85.02884	32.8
85.06518	3.3
86.09673	5.6
91.05452	100.0
93.07008	74.8
95.04935	38.5
95.08564	42.7
97.02869	5.9
97.06522	13.5
97.10137	11.0
103.05443	2.9
105.06999	80.3
107.04916	21.1
107.08559	47.3
109.06496	15.7
109.10121	12.5
111.08067	16.8
113.06004	2.8
115.05415	3.0
117.06999	32.2
119.08540	63.7
121.06453	2.8
121.10115	26.7
123.04404	4.0
123.08044	5.9
125.09586	4.3
129.06976	27.3
131.08530	39.5
133.06480	3.8
133.10085	35.7
135.08029	3.1
135.11668	20.1
142.07716	4.1
143.08519	17.8
145.10059	30.8
147.04390	2.9
147.08011	5.8
147.11668	36.7
149.09587	15.0
149.13222	12.2
155.08450	4.4
157.10072	34.4
159.11703	17.9
163.11143	9.6
169.10089	5.2
171.11603	5.3
175.11139	17.2
183.11655	4.2
184.07320	5.3
185.13223	9.9
193.12183	36.1
203.14380	3.1
208.48668	3.3
211.13228	31.3
226.25230	5.6
239.18068	4.0
244.26266	4.9
246.38480	2.6
255.15781	5.5
257.18948	13.8
267.15790	19.4
269.17413	16.4
271.73746	2.5
275.19992	26.4
285.16867	53.1
349.23590	18.5
393.81622	2.7
447.27203	10.3
461.28766	15.1
465.28305	13.2
479.29901	40.0
541.35248	18.1
559.36035	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	773.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67488	1.2
55.01850	2.7
55.05495	36.8
57.03417	17.2
57.07049	6.2
61.02890	11.8
65.03913	4.6
67.05477	100.0
69.03394	5.8
69.07043	31.3
69.79972	1.0
71.04960	4.7
73.02890	3.0
79.05459	88.3
81.03373	5.5
81.07021	88.7
83.04945	4.8
83.08587	11.8
85.02864	8.4
85.06529	2.0
91.03887	1.1
91.05439	71.0
93.07004	96.1
95.04935	15.9
95.08564	69.9
97.02861	6.6
97.06477	2.8
97.10106	1.9
103.05427	1.9
105.06992	80.5
107.04972	1.5
107.08555	49.6
109.06468	3.0
109.10114	22.1
111.08028	2.8
115.05394	1.9
117.06976	26.7
119.08530	66.6
121.06424	1.5
121.10088	35.8
123.08025	2.5
123.11667	5.6
125.09601	1.8
128.06172	2.3
129.06970	17.5
130.07745	1.7
131.08517	43.2
133.10072	42.1
135.08009	1.6
135.11629	20.1
135.92740	1.3
141.06926	1.5
142.07709	2.3
143.08510	21.3
145.10080	31.0
147.11642	34.4
149.09601	1.7
149.13196	9.9
151.14731	1.2
155.08510	6.2
157.10051	19.8
159.11617	25.7
161.09583	2.0
161.13179	22.7
163.11160	1.6
163.14676	1.8
169.10034	6.4
171.11618	14.9
173.13181	15.9
175.14774	9.4
181.10019	2.5
183.11609	7.4
185.13141	13.7
187.14774	7.6
195.11598	1.8
197.13206	4.8
199.14771	6.2
211.14708	5.2
213.16386	2.0
215.17894	1.6
231.21129	3.0
239.17995	1.7
241.19411	15.8
243.21066	1.5
257.18921	6.8
259.17990	2.0
259.20471	33.2
261.22034	5.9
273.21567	1.3
287.23758	1.4
301.21548	5.2
313.21384	1.5
315.23108	2.2
333.24042	27.0
335.25656	59.4
337.27252	1.7
367.22729	1.7
420.36920	1.2
519.40631	1.6
537.42181	1.8
583.12268	1.4
583.24139	1.4
593.45148	6.7
611.46466	53.1
612.45886	1.3
635.46094	1.8
647.46472	1.6
701.47156	2.2
737.48126	1.9
755.50055	2.1
773.51141	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.6
55.05494	36.8
57.03411	16.3
57.07029	3.1
60.81758	2.7
61.02903	4.4
61.84065	2.6
61.86914	3.1
64.33155	3.1
66.17859	2.5
67.05157	5.5
67.05480	99.6
69.03423	4.2
69.07035	21.1
71.04934	3.3
79.05457	81.1
81.03382	5.7
81.07019	87.0
82.08154	2.7
82.28695	2.9
83.04933	4.5
83.08572	5.7
84.34743	3.7
85.02852	5.6
91.05432	81.1
93.07005	100.0
95.04932	21.0
95.08562	68.5
97.02832	6.8
97.06483	3.7
97.60644	3.3
99.56293	3.9
105.06990	69.7
107.08557	43.6
109.06488	5.7
109.10125	24.0
117.06955	25.9
119.08536	64.6
121.10139	27.1
123.11671	4.9
126.89041	3.7
129.06972	23.6
131.08511	39.3
131.41138	3.0
133.10069	40.6
135.11635	22.1
143.08490	22.4
145.10078	26.1
147.11644	25.6
149.13254	5.9
157.10109	16.8
159.11638	24.7
161.13210	26.1
169.10002	5.4
171.11636	17.2
173.13182	12.6
175.14778	6.5
181.09975	3.5
184.07254	7.0
185.13196	12.1
187.14735	4.7
199.14735	5.8
227.17896	3.8
241.19438	20.7
259.20523	29.8
269.20499	3.3
333.24149	15.2
335.25696	50.6
337.27304	3.6
593.45435	4.2
611.46448	48.7
701.47540	3.9
706.98285	3.6
719.48688	3.5
773.44312	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	772.547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.4
60.07877	0.5
60.08146	10.5
64.99570	0.4
67.85361	0.4
71.07351	5.3
81.07040	0.5
86.09677	52.0
98.98430	3.8
104.10688	2.7
124.99955	38.1
143.00984	0.7
147.82927	0.4
165.41753	0.5
167.77243	0.5
184.07280	100.0
226.31459	0.4
277.70721	0.5
304.32596	0.5
335.03714	0.5
343.63556	0.6
448.04944	0.5
754.53607	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	773.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.1
55.05497	4.0
56.79890	0.7
57.03416	1.0
61.02902	3.9
64.32596	0.9
67.05480	7.1
69.03407	3.3
69.07044	4.5
73.02888	2.0
79.05463	8.4
81.03416	4.1
81.07013	6.3
83.04957	1.1
83.08585	0.9
85.02885	5.4
86.09655	1.6
91.03926	1.8
91.05435	6.7
92.09396	1.9
93.07025	5.5
95.04902	1.2
95.08574	4.8
97.02864	5.2
97.10173	1.4
105.07011	4.7
107.08570	3.8
109.10131	1.2
119.08604	3.6
129.06874	1.0
133.10121	2.0
146.14552	1.1
147.11644	2.0
153.75540	0.9
159.11716	0.8
171.11560	0.9
184.07312	3.3
185.07631	1.0
217.05678	1.0
223.13351	1.5
243.08359	4.0
291.19632	1.0
296.22455	0.8
331.18951	1.6
335.25684	0.9
402.29596	0.9
465.20883	7.1
549.26868	6.2
665.74286	1.0
773.40540	100.0
774.41278	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	773.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05506	5.4
57.03419	2.1
57.47005	0.8
61.02905	6.2
67.05489	10.3
68.75566	0.9
69.03407	2.3
69.07058	2.2
71.04948	1.0
73.02903	4.4
79.05470	9.4
81.03407	5.5
81.07021	9.0
81.17812	1.0
83.04940	1.3
83.08607	1.5
85.02901	5.3
86.09690	1.0
91.03959	2.0
91.05458	8.2
93.07014	9.8
95.04966	3.7
95.08584	4.9
97.02864	4.6
105.07020	7.3
107.08613	4.6
109.10159	1.7
117.07005	1.3
119.08585	4.8
121.10120	1.8
127.03880	1.5
128.06339	1.0
129.06935	1.3
131.08650	0.9
133.10147	2.4
135.11700	1.3
143.08469	1.2
145.10100	1.7
147.11676	1.9
166.05130	0.9
171.11662	2.2
184.07330	4.7
184.16885	0.9
243.08473	4.3
247.13097	1.7
331.14465	1.1
331.18689	4.0
335.25824	2.4
465.20828	10.8
531.25372	1.5
549.26740	1.8
576.38959	1.2
596.63110	1.1
640.37354	1.0
755.40045	5.8
773.40607	100.0
774.40570	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	772.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07808	1.5
55.01860	13.0
55.05277	2.2
55.05495	34.4
57.03197	1.6
57.03421	29.0
57.07044	3.9
59.04967	3.6
61.02890	8.1
63.71124	1.5
67.05484	85.9
69.03400	2.3
69.07039	27.0
71.01331	4.0
71.04961	9.4
73.02895	1.8
77.87656	1.8
79.05461	87.3
81.03387	34.0
81.06550	3.5
81.07027	87.1
83.01323	2.4
83.04941	20.5
83.08588	14.9
85.02875	15.4
85.06519	4.7
87.84114	1.7
90.82886	2.2
91.05449	50.1
93.07012	89.2
95.04946	21.9
95.08567	67.4
97.02854	11.9
97.06483	14.7
97.10136	2.4
99.04436	3.4
105.06989	27.5
107.04934	21.6
107.08562	51.6
109.06475	12.9
109.10133	22.7
111.04406	33.5
111.08075	6.4
113.05972	2.2
117.06246	2.1
117.06979	18.4
119.08549	25.6
121.06464	11.0
121.10107	33.0
123.08023	11.1
123.11627	2.9
125.05940	11.1
125.09612	3.6
129.06963	3.7
130.07712	3.2
131.08501	25.8
133.10059	11.1
135.08031	2.6
135.11650	27.8
137.09586	3.6
143.08521	3.3
145.06421	2.9
145.10083	34.9
147.07957	4.0
147.11629	7.6
149.09480	2.3
149.13188	4.1
153.12708	11.8
155.08499	3.9
159.11609	9.0
161.13263	2.2
163.11115	42.6
173.09529	8.5
173.13216	3.9
175.14774	2.7
181.12083	3.9
191.10603	10.4
209.11697	7.9
223.13144	20.5
227.12785	3.9
241.14265	14.5
261.22055	3.2
265.14294	3.0
283.15286	12.3
315.17953	37.9
335.25684	84.6
451.31799	2.6
457.48212	2.4
464.13559	2.2
525.35651	8.7
543.36682	65.1
575.39148	100.0
770.20563	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.8
60.08144	9.8
62.12146	0.6
67.13608	0.6
71.07339	3.5
77.57729	0.7
86.09674	50.0
92.09245	1.0
98.98445	3.6
99.94862	0.7
102.29243	0.7
104.10726	3.7
120.92844	0.7
124.99952	34.7
140.98096	0.8
184.07277	100.0
197.76633	0.7
350.91745	0.7
387.94879	0.8
474.79730	0.8
569.01636	0.8
611.52747	0.8
772.54651	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	772.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	18.9
55.05249	3.6
55.05496	80.9
55.37459	2.1
55.83613	2.1
57.03418	23.6
58.96978	1.9
59.04966	9.5
65.03898	2.3
66.87573	2.1
67.05159	2.8
67.05480	60.8
69.03391	12.8
69.07024	21.7
69.57640	2.3
71.04964	4.7
79.05463	79.4
81.03387	19.2
81.07025	62.9
83.01303	11.9
83.04539	2.3
83.04945	20.3
83.08588	40.2
85.02872	13.3
85.06495	2.5
91.05455	48.5
93.07001	50.9
95.04921	17.0
95.08582	28.2
97.02846	4.4
97.06462	11.8
97.10132	67.2
105.07003	42.7
107.04933	18.0
107.08556	99.8
109.06471	15.6
109.10104	14.6
111.04449	2.5
111.08044	11.0
117.06988	16.9
119.08549	30.6
120.01926	2.2
121.06425	3.9
121.10114	17.2
123.08025	14.9
123.11629	4.9
125.09592	57.5
125.45978	2.2
129.06949	4.0
131.08531	27.3
133.10062	22.3
135.07977	13.4
135.11665	21.6
137.09505	4.2
143.08499	9.8
145.10083	38.7
147.11632	16.0
149.09549	12.9
149.13159	2.5
153.08939	2.9
153.48547	2.9
154.49205	2.5
157.10104	2.3
159.11630	4.2
161.13214	3.7
163.11087	36.2
171.10130	2.3
171.11710	3.3
173.09506	4.5
173.13274	2.5
177.12711	2.2
178.09193	2.2
184.07306	5.1
189.11163	26.6
191.10760	2.8
209.11610	5.1
227.12708	93.7
257.18942	12.7
275.19937	34.5
283.15314	61.7
291.19345	2.9
341.36624	2.8
349.23642	40.4
389.17551	3.0
397.21878	3.1
453.24661	27.0
477.28146	9.8
539.33282	13.1
557.34503	100.0
575.35126	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	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81278	1.1
55.01854	15.7
55.05244	1.6
55.05495	36.8
57.03150	1.1
57.03417	22.4
57.07048	2.2
59.04982	2.2
61.02909	7.0
65.03904	0.8
66.98833	1.0
67.05483	62.0
69.03397	10.2
69.07046	31.6
71.01304	1.7
71.04966	11.2
73.02872	1.3
75.44084	0.9
79.05004	1.8
79.05462	65.8
81.03390	24.9
81.07027	86.8
83.01308	15.6
83.04946	29.1
83.08586	21.4
85.02879	12.8
85.06506	4.3
91.03917	1.7
91.04897	1.8
91.05446	49.5
91.06010	1.8
93.07008	77.5
95.04922	18.9
95.08575	33.8
97.02863	9.2
97.06504	16.7
97.10130	5.8
99.04423	4.9
99.08037	2.0
100.62653	0.9
105.06994	39.1
107.04927	16.6
107.08558	48.1
109.06502	14.5
109.10114	12.5
111.04417	6.9
111.08051	7.2
111.11691	1.3
115.05424	1.4
117.06973	23.8
119.08543	31.9
121.06477	8.3
121.10105	19.4
123.04391	1.2
123.08026	13.9
123.11637	2.4
125.05921	2.1
125.09571	1.8
127.03826	1.8
129.06969	5.8
130.07713	1.1
131.04910	1.0
131.08540	18.0
133.10086	23.0
135.08020	7.4
135.11636	26.9
137.09583	2.3
141.06999	1.2
143.08507	4.2
145.06436	1.5
145.10092	27.9
147.07983	6.0
147.11653	6.0
149.09583	8.1
149.13188	12.1
151.11137	2.1
153.12724	1.1
155.08522	4.5
157.10068	1.9
159.11633	12.1
161.13234	1.4
163.11124	34.4
169.10104	1.5
171.11604	1.6
173.09549	2.2
173.13176	2.1
177.12729	3.8
181.12166	2.1
183.11592	1.3
184.07295	1.5
186.65619	1.0
187.14799	1.0
191.10640	2.0
195.13751	5.2
197.13184	1.4
209.11670	5.8
227.12694	5.7
239.17598	1.3
247.20570	1.5
253.14365	1.2
255.15810	8.5
257.18872	1.9
267.15939	1.6
269.17368	20.7
273.18509	1.3
275.19931	14.1
283.15302	61.3
291.19473	1.5
293.20996	1.6
349.23608	12.7
367.24619	1.5
437.24893	1.9
459.27069	2.4
463.26840	20.6
477.28320	100.0
557.34485	21.8
575.35492	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	772.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	25.6
55.05495	61.7
56.94036	1.5
57.03415	32.4
57.07061	1.9
58.18821	1.7
59.04974	2.4
61.02902	9.8
64.12003	1.7
65.03915	2.3
65.89137	1.8
66.25320	1.8
66.38976	1.7
66.75106	1.6
67.05479	87.9
68.65192	1.8
69.03395	13.7
69.07043	43.9
71.04954	13.1
79.05464	85.7
81.03387	53.9
81.07021	100.0
81.07493	3.4
83.01297	13.6
83.04951	37.7
83.08591	35.5
85.02863	21.2
85.06493	2.9
91.05443	71.0
92.08674	2.1
93.07005	93.9
95.04935	28.8
95.08575	41.5
97.02859	15.4
97.06504	17.6
97.10133	11.3
99.04416	4.0
103.05428	2.8
105.06993	64.3
107.04932	26.8
107.08560	45.4
109.02847	2.7
109.06490	18.6
109.10127	16.0
111.04429	2.7
111.08064	11.1
117.06987	28.2
119.08546	44.4
121.06456	12.1
121.10101	25.1
123.08044	15.5
123.11681	2.3
125.09602	11.7
129.06989	11.6
130.07776	3.7
131.08524	27.5
133.06490	2.9
133.10083	34.8
135.08022	9.7
135.11650	24.8
137.09589	7.3
143.08553	8.1
145.06506	1.8
145.10066	30.7
147.08005	10.7
147.11642	13.4
149.09590	13.9
149.13223	9.8
151.11221	4.4
157.10089	10.5
159.08046	2.2
159.11658	13.3
161.13188	2.3
163.11131	31.5
171.11552	2.7
173.09737	2.6
175.11172	10.0
177.12729	2.8
181.12250	2.6
183.11548	2.3
187.11136	2.0
193.12112	13.6
195.13680	3.1
209.11678	7.1
211.13184	17.2
223.13300	9.4
227.12732	9.4
253.14134	3.5
255.15770	4.1
267.15799	9.3
269.17398	12.6
273.18393	4.3
275.20007	12.9
283.15314	69.6
285.16806	17.2
291.19406	43.3
349.23590	11.3
365.23126	21.6
369.33212	2.2
445.25540	2.5
463.26767	23.0
477.28342	88.2
546.98621	2.6
557.34607	43.4
575.35681	39.8
673.49402	2.0
792.59973	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	772.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	15.6
55.05279	1.5
55.05497	28.9
56.96529	2.0
57.03193	1.2
57.03425	21.5
57.07050	2.0
57.18938	1.0
59.04969	1.8
61.02898	2.4
62.85613	1.1
63.15158	1.1
63.60040	1.0
65.03921	1.6
67.05479	86.6
69.03402	10.0
69.07042	27.9
71.04963	8.8
76.55727	1.4
79.05460	64.8
81.03386	53.1
81.07025	100.0
83.04950	26.4
83.08591	19.3
85.02863	23.0
85.06545	9.1
91.05446	87.8
93.07008	62.7
95.04923	37.2
95.08565	38.9
95.09138	2.1
97.02875	7.8
97.06498	16.7
97.10130	8.5
99.04424	5.1
103.05473	3.0
105.06996	83.9
107.04924	19.2
107.08563	51.9
109.06492	17.3
109.10113	58.5
109.10865	2.1
111.04438	5.0
111.08037	8.9
113.05962	2.6
113.09637	1.2
115.05381	1.7
117.06969	12.9
118.22532	1.1
119.08533	34.4
121.06458	11.7
121.10098	14.9
123.04404	2.2
123.08036	6.3
123.11650	13.1
125.09594	2.9
127.07494	2.2
128.06163	2.7
129.06949	19.0
131.04929	1.3
131.08516	25.7
132.08864	1.4
132.29572	1.3
133.06454	9.8
133.09073	3.1
133.10088	82.9
135.07999	8.6
135.11630	10.6
137.09596	2.5
142.07739	5.3
143.08505	7.6
145.06421	1.5
145.10052	12.1
147.08015	7.4
147.11662	18.7
149.09558	14.0
149.13245	2.4
151.11137	27.1
155.08496	2.5
157.10043	10.8
159.08119	1.5
159.11615	4.8
161.09589	7.6
161.13171	3.1
163.11140	5.6
169.12170	1.6
175.11137	8.9
175.14734	1.5
175.94046	1.2
177.12703	1.3
184.07295	2.8
185.13264	2.7
187.11238	1.3
187.14784	1.4
193.12170	24.0
211.13226	35.7
221.04831	1.3
245.18787	2.4
248.40776	1.3
251.12459	1.5
253.14247	93.6
263.20065	1.7
267.15787	13.8
273.18381	19.0
283.15424	1.5
285.16855	25.6
291.19424	25.2
342.58514	1.3
347.22156	9.3
365.23068	27.8
445.25665	2.6
463.26855	11.6
481.27914	10.7
526.88068	1.4
539.33466	4.4
557.34540	24.6
575.35602	65.3
576.35876	1.4
680.86548	1.5
752.50043	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	771.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.2
55.05496	21.6
57.03410	7.7
57.07051	3.6
61.02907	22.4
63.43240	0.8
64.07769	1.1
65.03910	1.1
67.05482	37.0
69.03411	11.6
69.07045	14.8
71.05004	1.7
73.02881	9.1
76.09912	1.0
79.05462	25.9
81.03387	5.9
81.07027	35.5
83.04936	2.2
83.08606	8.2
85.02879	17.6
85.06534	1.3
87.55277	1.1
91.03894	6.9
91.05446	23.8
93.07006	27.5
95.04929	4.7
95.08573	31.6
97.02843	14.9
97.06503	1.4
97.10144	2.3
98.20425	0.9
99.04427	1.0
100.48261	1.1
101.02329	5.5
102.05845	0.9
105.04468	1.2
105.07005	24.3
107.04922	1.1
107.08562	15.5
109.06476	3.7
109.10132	11.7
111.08063	1.2
115.05392	1.3
117.06985	13.8
119.08546	21.5
121.10103	11.6
123.11656	1.3
124.75910	1.1
127.03867	2.0
128.06186	4.4
129.06976	13.8
129.34178	0.9
129.80779	1.0
131.08531	21.0
133.06410	1.0
133.10071	15.2
135.11653	4.9
137.09541	1.4
141.06934	4.3
142.07751	5.5
143.08519	18.7
145.10071	21.6
147.11644	9.7
149.13190	1.3
153.06964	1.6
154.07733	1.2
155.08484	18.2
156.09311	4.7
157.10075	21.3
158.10944	1.2
159.11638	13.3
161.13242	1.9
163.14716	1.1
167.08499	6.7
168.09322	4.0
169.10069	21.0
171.11610	15.3
173.13177	8.2
179.08421	4.7
181.10054	12.8
182.10881	1.3
183.11642	17.4
184.12328	1.2
185.13162	10.9
187.14821	3.9
189.16391	1.1
193.10109	4.0
194.10872	1.0
195.11639	14.3
197.13152	14.0
199.14798	7.6
207.11589	4.9
208.12515	1.4
209.13208	9.6
211.14806	7.8
213.16382	2.0
221.13213	3.6
223.14809	5.3
225.16347	7.0
227.17863	1.3
235.14729	3.6
237.16315	5.2
239.17874	5.3
249.16371	1.3
251.17937	1.8
275.17758	1.4
277.19376	1.0
323.23669	1.6
335.25760	2.1
351.26712	1.5
365.28311	1.3
405.31415	1.4
503.36185	1.1
517.40503	7.2
535.40906	2.0
541.38446	1.4
591.43811	7.4
609.44946	100.0
610.45605	1.9
621.44604	1.5
771.50439	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	770.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	27.9
57.03424	18.7
57.07057	46.9
57.07291	5.1
57.13407	3.7
66.84773	3.7
67.05482	69.5
69.07044	8.1
71.08607	33.2
75.38461	3.9
79.05458	36.9
81.07024	62.4
83.08598	8.6
85.10178	6.1
91.05445	22.6
93.06998	44.6
95.08579	64.4
104.90139	4.3
105.07023	8.3
107.08578	30.3
109.10137	31.5
117.06982	6.3
119.08542	6.3
121.10114	27.2
123.11701	6.7
131.08543	6.4
135.11646	9.9
145.10109	9.0
147.11609	6.8
184.07333	7.3
213.17186	4.6
243.21109	5.4
261.21939	35.4
313.27231	100.0
335.25644	87.1
573.48682	45.9
591.49890	5.7
599.34479	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.0
57.03415	5.6
57.07052	9.2
61.02907	8.3
67.05479	15.5
69.03403	5.4
69.07040	5.0
71.08600	3.6
73.02878	6.6
74.57478	0.8
76.55119	0.9
79.05473	8.8
81.03401	1.9
81.07030	17.6
82.07352	1.0
83.08603	2.0
85.02881	10.6
85.10143	2.0
91.03931	4.6
91.05447	5.1
93.07005	10.4
95.04977	1.3
95.08574	14.2
95.37726	0.7
97.02865	8.0
97.10164	0.9
101.02339	1.8
105.07014	1.8
107.08573	5.4
109.10124	2.1
119.08561	1.4
121.10101	4.5
123.11639	1.2
127.03888	1.1
133.10124	1.6
135.11684	3.4
162.82724	0.9
184.07291	1.3
185.04111	1.2
242.80804	0.8
243.08403	1.8
261.21994	2.0
262.22388	1.0
313.27213	9.2
314.27737	1.7
335.25610	7.5
387.24966	0.9
398.48257	0.8
493.27487	4.8
519.29187	6.7
573.48529	1.6
574.48926	3.1
771.49866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	12.2
55.05494	28.9
56.56364	0.9
57.03418	14.4
57.07050	1.7
61.02901	2.5
65.03897	1.8
67.05482	74.5
69.03394	6.4
69.07040	28.3
71.04960	5.3
76.17290	0.9
79.05464	97.3
80.13197	0.9
81.03381	18.7
81.07026	88.6
83.04949	21.0
83.08590	13.3
85.02866	2.5
85.06514	5.9
86.09661	2.0
91.05447	81.2
93.07011	95.0
95.04940	26.0
95.08568	36.5
97.02847	4.6
97.06496	13.1
97.10122	7.0
99.04399	1.0
105.04471	2.3
105.06286	2.0
105.06996	56.7
107.04912	14.9
107.08565	43.7
109.06502	11.5
109.10126	13.8
111.04405	1.4
111.08018	5.3
115.98760	1.0
117.06976	19.1
119.08540	39.1
120.14768	1.1
121.06485	5.3
121.10090	14.0
123.08012	7.9
123.11648	3.9
125.09584	1.3
127.03903	1.2
128.06125	1.8
129.06946	19.8
131.08548	13.3
133.10081	29.2
135.08014	5.3
135.11635	12.9
137.09575	1.5
141.06963	1.0
143.08499	10.5
145.10062	16.5
147.08003	3.9
147.11649	30.7
149.09605	7.6
149.13226	6.5
151.11131	1.8
157.10056	1.8
159.11684	9.6
161.09535	1.7
161.13232	10.6
163.11124	9.1
169.09868	1.4
171.11617	18.1
173.04280	1.0
173.13234	1.8
177.12627	1.0
189.12651	4.1
192.71124	1.0
195.13643	3.4
202.91008	1.0
207.13730	12.0
253.14178	8.3
255.15782	4.1
257.18884	4.7
260.04083	1.0
269.17401	13.8
275.19910	11.1
281.17368	39.6
283.15100	2.0
286.71017	1.1
349.23581	7.8
435.27386	1.5
461.28845	23.0
475.30380	100.0
476.31131	1.5
479.25845	1.6
520.36420	1.3
520.82922	1.3
555.36780	23.8
573.35773	4.4
619.34235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	13.7
55.05244	1.3
55.05495	31.9
57.03423	15.4
57.07039	1.1
61.02894	1.5
65.03910	4.1
67.05482	85.1
69.03400	6.6
69.06677	1.5
69.07043	30.2
71.04942	2.4
73.02898	1.2
73.06534	1.3
79.05460	98.8
81.03392	18.1
81.07026	100.0
83.01325	1.3
83.04952	22.0
83.08588	13.7
85.02885	4.2
85.06511	7.1
86.09678	2.4
87.69939	0.9
91.05444	86.2
92.53313	0.9
93.07011	98.1
95.04935	34.5
95.08571	50.3
97.02845	5.1
97.06487	16.2
97.10145	5.8
99.04419	0.9
99.08053	3.4
103.05410	1.2
104.80889	0.9
105.04449	1.1
105.06291	2.4
105.06999	71.2
107.04922	17.3
107.08562	36.3
109.02836	2.2
109.06484	11.8
109.10110	14.1
111.08071	5.1
113.09509	1.1
115.05472	3.2
117.06981	22.1
119.08543	47.1
121.06455	6.2
121.10091	13.0
123.08029	6.2
123.11660	2.0
125.09584	1.7
127.03885	2.0
127.07458	0.9
128.06209	2.2
129.06943	19.7
131.08530	19.4
133.06421	2.3
133.10100	26.3
135.08020	2.1
135.11639	13.6
137.09584	2.3
141.06992	1.1
142.07710	1.1
143.08537	12.1
145.10092	23.5
147.08012	6.0
147.11650	40.4
149.09592	12.9
149.13202	7.1
151.11147	4.5
155.08585	2.1
157.10115	4.0
159.11632	11.1
161.09537	4.1
161.13203	14.4
163.11115	10.8
169.10060	4.0
171.11641	21.1
173.04424	1.1
173.09663	1.0
173.13214	1.6
177.12674	1.4
179.14212	1.3
183.11563	1.2
184.07384	1.4
189.12665	9.6
195.11580	1.2
195.13647	1.2
197.13373	1.2
207.13733	14.7
209.08064	0.9
227.12732	1.9
239.17892	1.8
247.14316	1.0
247.20573	1.0
253.14073	1.9
255.15852	4.4
257.18893	5.8
259.20465	2.1
267.15717	1.2
269.17389	10.2
275.19928	15.3
281.17380	49.5
283.15283	1.8
349.23770	10.2
435.27200	1.4
449.11209	1.0
451.26868	1.2
461.28888	22.2
463.32431	1.2
475.30353	78.0
515.33356	1.3
537.35461	2.1
555.36597	30.0
573.37781	7.3
619.34393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68272	1.8
55.01855	18.7
55.05493	34.1
57.03417	22.6
65.91095	2.5
67.05157	4.2
67.05481	78.0
67.92226	2.4
69.03406	4.7
69.07043	22.9
71.04961	5.5
79.05464	73.9
81.03380	18.3
81.07028	100.0
83.01320	4.8
83.04964	25.5
83.08585	15.2
85.02872	10.7
85.06510	10.1
91.05440	80.9
92.62606	2.6
93.07008	81.0
95.04912	23.2
95.08567	37.2
97.02855	4.4
97.06502	10.7
99.04439	4.2
103.05438	2.4
105.06986	72.4
107.04900	18.6
107.08567	55.3
109.06479	16.9
109.10127	54.9
113.05943	2.5
117.06983	22.9
117.46468	2.1
119.08522	37.5
121.06474	12.2
121.10129	18.3
123.08023	13.2
123.11666	12.0
125.09619	3.9
128.06212	2.6
129.06961	9.5
131.08542	18.8
133.06412	4.7
133.10081	71.0
135.08029	9.5
135.11662	13.8
137.09581	2.8
143.08525	5.3
145.10092	29.8
147.07982	9.5
147.11647	5.8
148.57039	2.5
149.09561	11.8
151.11142	31.4
155.08492	2.8
157.10083	4.8
159.11636	4.6
161.09601	9.3
161.13165	3.4
163.09981	2.4
163.11076	20.9
171.11600	10.8
175.11218	2.9
190.53601	2.8
196.55560	2.2
199.14790	3.5
207.13661	3.2
227.12715	2.9
245.18866	4.0
253.14247	71.0
263.19760	4.3
273.18399	27.5
275.19983	2.9
281.17371	10.4
283.15366	32.5
291.19418	25.9
303.19061	2.6
347.22049	4.2
365.23077	26.6
373.17511	3.3
377.83188	2.9
461.29022	3.2
475.30136	14.4
479.26144	15.6
555.32593	11.1
573.33984	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	21.9
55.05246	1.6
55.05493	31.2
56.91761	1.2
57.03412	15.2
57.07057	1.5
61.02894	2.9
65.03924	2.8
67.05479	77.7
68.76229	1.1
69.03402	7.7
69.07044	22.4
70.65468	1.1
71.04960	9.1
72.68679	1.3
73.02890	1.5
79.05008	2.0
79.05462	58.3
81.03384	18.3
81.07024	84.8
83.01295	8.0
83.04951	24.1
83.08585	16.1
85.02881	7.8
85.06497	6.4
89.71139	1.5
91.03916	1.5
91.04896	2.8
91.05446	73.3
93.07007	67.2
95.04923	23.1
95.08567	30.8
97.02852	2.7
97.06499	13.4
97.10110	2.1
99.04382	5.3
103.05382	2.0
105.06998	66.0
107.04900	15.0
107.08560	54.8
109.06487	20.1
109.10122	58.8
111.08047	6.0
113.05954	1.7
116.00900	1.4
117.06980	14.3
119.08533	24.3
121.06443	10.5
121.10094	11.1
123.07998	8.6
123.11655	8.4
125.09605	2.5
127.07488	2.7
128.06151	2.9
129.06981	8.3
131.08498	16.9
133.06458	5.7
133.10088	71.5
135.08025	10.0
135.11632	13.6
137.09608	1.5
143.08516	7.0
145.06445	1.6
145.10078	17.6
147.07915	2.2
147.11653	9.6
149.09575	6.5
151.11125	33.5
155.08569	1.8
159.07941	2.5
159.11653	3.0
161.09570	7.9
161.13211	2.4
163.11131	13.3
169.12141	2.2
171.11629	3.4
173.09541	1.8
175.11118	3.3
209.11737	1.9
209.59045	1.7
241.00073	1.6
253.14241	100.0
273.18448	17.6
275.20004	2.2
281.17404	7.7
283.15268	35.8
291.19418	17.4
347.22107	2.8
365.23221	21.9
461.28632	5.5
475.30411	23.8
479.26413	20.5
520.96851	1.5
555.33191	8.9
573.25348	3.0
573.34021	66.0
574.34106	2.7
701.70197	1.5
771.39203	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	769.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37117	0.4
61.18156	0.5
61.85414	0.4
78.99265	0.5
81.07035	0.7
81.22063	0.5
85.02868	0.4
91.05464	1.8
91.20836	0.6
95.01078	1.0
95.08618	0.7
96.01828	0.5
103.05431	1.1
105.06967	0.7
107.04928	0.5
111.51740	0.5
113.02115	0.9
117.06963	0.6
119.08507	0.8
131.04887	1.2
137.02255	0.5
137.05956	5.4
147.04437	0.7
147.42818	0.5
151.03903	2.2
161.05913	1.0
163.03897	0.6
167.06976	0.7
177.17349	0.5
185.04208	4.7
191.07013	2.2
201.03674	0.8
202.05942	1.0
203.05223	13.4
339.90161	0.5
395.11090	2.0
410.13095	5.9
441.54572	0.6
540.50745	0.6
549.08972	0.6
559.19495	2.3
577.07410	3.1
769.26526	100.0
770.26947	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	769.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.3
56.68824	0.5
57.03412	1.3
61.02909	8.3
67.05480	6.2
69.03408	4.8
69.07032	1.1
73.02892	4.7
79.05466	4.7
81.03373	2.2
81.07023	7.3
85.02887	7.7
85.82678	0.7
89.14146	0.7
91.03423	0.7
91.03907	6.1
91.05457	3.4
93.07034	6.3
95.08569	4.6
95.67452	0.8
97.02849	6.7
99.04407	0.7
101.02363	3.6
105.06998	0.7
107.08537	1.2
109.10129	1.5
119.08604	0.7
121.10143	3.5
123.11636	0.8
127.03899	1.3
131.08562	0.9
155.38631	0.7
185.04167	1.2
237.87421	0.7
243.08411	1.4
335.25467	1.3
491.26151	4.8
519.29138	6.5
589.50940	0.8
769.48383	100.0
770.49231	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	768.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.3
55.05242	1.2
55.05496	25.8
57.03428	6.0
61.02894	1.1
62.16798	0.7
65.03901	1.1
66.02847	0.8
67.05482	41.5
69.03378	6.0
69.06729	1.3
69.07048	22.4
71.04971	1.4
79.05003	1.9
79.05460	54.6
81.03384	9.6
81.07027	36.0
83.04956	11.0
83.08586	8.9
85.06534	1.4
91.05444	36.5
92.62850	0.9
93.07006	40.0
93.50948	0.8
95.04933	20.2
95.08574	18.7
97.02859	9.4
97.06502	3.5
97.10123	11.4
105.04484	1.1
105.06995	27.0
107.04923	8.3
107.08562	20.3
109.06456	4.0
109.10124	7.6
111.08047	0.9
115.05416	1.1
117.06973	9.4
119.08540	23.2
119.09378	0.8
121.06473	5.8
121.10091	5.2
123.08029	2.0
125.09592	7.3
128.06146	1.8
129.06955	12.2
131.08525	6.6
133.06485	3.7
133.10049	8.6
135.07941	1.2
135.11661	3.4
137.09607	1.1
143.08510	7.4
145.10092	9.6
147.07983	6.1
147.11652	20.1
149.09630	1.4
157.10085	1.3
159.11633	2.0
161.09613	1.8
161.13200	4.6
171.11629	10.1
175.11084	1.3
177.12624	1.2
185.13210	0.9
189.11134	1.8
189.12657	4.9
207.13750	6.8
223.13181	14.1
227.12625	3.4
245.19040	1.0
249.14888	3.1
273.18347	10.4
281.17371	31.5
291.19418	73.3
347.22266	1.6
365.23087	23.1
473.28885	1.9
553.34998	4.2
571.36115	100.0
572.36481	1.0
589.36902	1.0
715.38159	1.0
724.08038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81405	1.2
55.01868	1.0
55.05495	15.4
57.03418	7.2
57.07045	2.7
61.02900	2.9
66.78574	1.4
67.05483	19.6
69.03384	11.0
69.07041	19.8
71.04969	5.8
73.02888	1.6
79.05463	17.2
81.03392	6.6
81.07027	40.9
83.04945	2.9
83.08604	9.7
85.02873	32.3
85.06504	2.4
87.00793	1.8
91.03937	1.9
91.05437	20.5
91.15595	1.4
92.09338	4.6
93.07011	45.9
95.04931	8.0
95.08566	57.4
95.09139	2.4
97.02836	10.6
97.06487	7.0
97.10149	3.0
99.04433	2.7
99.08021	1.8
103.05460	2.1
105.06992	49.5
107.04964	2.2
107.08557	70.3
109.02824	1.8
109.06489	12.7
109.10124	36.6
111.08033	2.8
113.05972	10.2
115.07521	2.2
117.06975	12.2
119.08535	100.0
121.06472	12.6
121.10103	51.4
123.08038	15.7
123.11658	21.0
125.09680	2.3
127.03839	7.1
128.06068	2.3
129.06960	7.8
131.04892	2.2
131.08521	46.2
133.06419	2.2
133.10077	63.7
135.08006	12.9
135.11623	25.8
137.05948	8.0
137.09550	7.7
137.13263	1.8
139.07475	5.0
139.11163	1.5
142.07651	4.5
143.08499	29.9
144.09343	2.8
145.10080	78.6
145.11241	2.5
147.08022	8.5
147.11635	40.2
149.05914	2.0
149.09575	29.5
149.13196	20.0
151.07524	6.1
151.11124	1.8
153.09100	3.2
155.08511	7.9
156.09315	5.7
157.06537	2.1
157.10069	34.5
158.10863	2.7
159.07988	6.2
159.11624	48.6
161.05928	7.1
161.09511	11.5
161.13179	27.2
163.07498	6.5
163.11159	8.6
163.14743	13.5
165.09050	16.0
169.10118	10.8
170.10873	8.1
171.11621	23.8
172.12473	2.8
173.09630	5.4
173.13188	44.3
175.07504	2.5
175.11182	8.0
175.14738	34.3
175.16176	2.1
177.09065	2.5
177.12727	8.3
177.16336	9.7
181.10091	5.6
182.10963	1.6
183.11606	12.6
184.12346	1.8
185.13187	67.4
187.11209	1.9
187.14749	88.7
189.09065	6.3
189.12721	8.4
189.16335	21.2
191.10603	2.4
191.14264	20.3
191.17894	5.8
195.11673	6.6
196.12358	1.9
197.13176	14.4
199.14758	45.2
201.12665	7.3
201.16322	60.1
203.14253	29.6
203.17870	7.5
205.15804	10.4
207.10039	2.0
209.13155	5.8
211.14755	12.1
213.12740	2.2
213.16284	26.5
215.14127	10.6
215.17906	5.4
217.15750	14.2
219.13770	6.8
219.17407	6.8
221.13300	2.1
221.15305	6.4
223.14847	7.1
225.16354	11.0
227.14264	1.8
227.17853	13.2
229.15875	6.6
231.13795	2.7
231.17429	6.8
233.15260	10.4
235.14734	1.9
235.16840	2.8
237.02893	1.7
237.16319	2.8
239.17996	9.9
241.16031	1.8
241.19408	2.7
245.15291	10.3
247.14613	1.8
247.16806	15.4
249.14651	18.3
251.18150	1.7
252.95529	1.6
253.19447	5.9
255.21077	1.9
259.16833	7.3
265.19528	1.8
267.20959	2.5
273.18399	5.6
279.21097	3.0
281.22540	2.0
297.18265	1.6
307.24176	5.2
309.25687	2.5
327.23120	2.0
353.24643	7.4
355.26587	1.6
367.26443	2.0
375.30231	2.2
381.27716	5.8
385.28577	2.9
393.31314	1.8
403.29745	21.4
405.31461	6.2
409.27118	8.0
421.30814	66.0
423.32407	14.5
427.28299	18.0
431.29163	2.9
439.31906	15.5
449.30307	26.4
467.31406	53.5
485.32407	86.4
486.32559	2.4
525.31836	9.0
527.26300	1.7
543.33014	2.7
571.32324	12.3
589.33453	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	767.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09364	1.2
66.55642	1.3
67.77860	1.4
69.03399	1.7
69.46119	1.3
74.87246	1.2
83.04942	1.7
83.91280	1.5
85.02837	2.2
89.03869	1.6
97.65620	1.6
98.97547	3.3
111.04379	1.8
115.32491	1.5
117.03371	2.8
119.04922	2.9
135.04367	10.4
137.05934	14.5
145.02823	6.6
147.04367	8.0
148.04698	1.8
153.05438	2.2
163.03857	46.4
164.04214	5.9
167.06918	1.8
179.06908	2.9
197.07896	2.0
237.02679	3.2
251.59785	1.5
349.08722	1.6
359.07117	1.7
377.08319	10.3
393.07703	1.6
395.09351	100.0
521.03680	1.8
629.15540	1.7
648.82056	1.7
777.68622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80375	0.1
54.80822	0.2
55.01834	0.2
55.05503	0.2
55.48368	0.1
62.30355	0.1
69.03412	0.2
70.89742	0.2
71.24256	0.1
78.04663	0.7
79.05454	0.9
81.03376	0.1
81.07021	0.3
85.02853	0.3
91.05441	2.1
93.03368	0.3
93.07015	0.7
95.04913	0.7
97.06491	0.2
99.07951	0.2
103.05421	0.7
105.04567	0.2
105.07001	1.1
106.04138	1.9
107.04925	1.8
111.04399	0.2
113.06001	0.2
119.04900	1.9
121.06454	2.8
122.03591	0.4
123.04389	2.7
124.05192	1.3
125.05938	0.3
128.40829	0.2
129.06979	0.3
131.04924	1.1
133.06462	0.8
134.03560	0.6
135.04315	0.2
137.05939	7.9
147.04344	0.8
148.05161	0.2
149.05933	3.4
151.03854	0.7
151.07507	4.1
152.04640	1.3
153.09102	0.4
161.05914	2.6
161.09544	0.3
163.03806	0.3
163.07480	1.3
165.09111	0.2
167.06981	100.0
168.07327	0.7
175.07481	0.3
177.05438	1.0
177.09050	0.2
177.45438	0.2
179.06944	0.8
181.07034	0.3
181.08542	5.2
189.09032	0.9
191.06912	0.4
193.08557	3.1
193.10236	0.2
209.07982	1.9
211.09586	10.8
313.14255	0.3
341.22189	0.2
350.22421	0.3
359.23242	1.0
359.73303	0.3
361.16208	0.3
373.16312	0.2
395.20264	6.8
396.20581	3.0
482.44440	0.2
711.55731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10818	0.2
54.11091	0.2
55.05482	0.3
56.05003	0.3
57.07056	0.2
58.06570	0.3
60.08142	9.1
60.54409	0.2
67.05482	0.3
71.07345	4.2
73.66950	0.2
81.03383	0.3
81.07003	0.3
84.41881	0.2
86.09673	43.6
91.05444	0.3
98.98417	3.4
104.10712	2.8
123.21014	0.2
124.99953	31.0
143.01033	0.3
184.07274	100.0
223.41975	0.3
308.04401	0.2
392.28061	0.3
469.43265	0.3
519.61707	0.2
523.39111	0.3
716.48309	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	766.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35975	0.9
55.01847	1.8
55.05244	1.3
55.05495	29.0
57.03186	1.1
57.03418	20.4
57.07049	6.2
59.99046	1.3
60.50379	1.1
61.02895	2.8
65.03883	1.4
67.05478	100.0
69.07040	29.5
71.04939	1.3
77.03931	1.3
79.05457	50.6
81.07024	98.0
83.04974	1.8
83.08598	11.6
85.02872	2.7
85.06499	3.0
91.05442	31.2
93.07008	51.8
95.04937	4.6
95.08567	67.6
97.02865	2.5
97.06459	5.1
97.10118	6.6
99.08038	4.9
105.06992	23.8
107.08552	27.7
109.10126	23.2
117.06959	5.1
119.08525	18.8
121.10099	24.1
123.07984	1.5
123.11665	9.7
125.09578	1.6
131.08525	12.1
133.10052	11.2
135.11662	15.3
142.68237	1.2
145.10077	7.1
147.11649	11.5
147.38358	1.3
149.13222	9.3
153.12695	1.2
159.11632	6.2
161.13164	7.6
163.14748	2.5
173.13181	5.2
175.14784	3.0
177.16217	1.2
189.16345	1.3
217.19508	2.0
233.18895	2.1
235.20569	3.1
243.20955	2.1
251.44403	1.4
259.20572	2.0
261.21960	10.8
309.24109	47.4
311.25522	1.8
332.21777	1.3
335.25677	62.3
337.27139	6.5
495.41531	2.0
507.27560	1.4
569.45526	22.0
587.46387	21.0
742.08844	1.5
764.90619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	23.4
57.03422	26.2
57.07062	44.1
60.57510	2.9
62.70350	2.8
67.05495	24.6
67.06753	3.2
69.07049	6.9
71.08597	30.6
73.89129	2.7
79.05455	12.3
81.03381	87.6
81.07025	41.5
83.04968	3.2
83.08570	30.3
85.10151	7.1
86.09674	13.8
91.05433	35.3
93.07019	15.2
95.04936	31.2
95.08575	29.5
97.10136	11.8
105.06998	17.6
106.65925	3.1
107.04951	4.0
109.06496	6.0
109.10123	16.9
111.04406	3.4
111.08034	6.3
119.08540	16.1
121.10133	6.0
123.11731	5.0
124.99993	5.8
129.06926	4.4
131.08505	16.0
133.10133	4.5
147.11661	7.2
149.09604	4.8
150.38159	3.1
157.10066	6.0
172.28033	3.6
173.72655	3.0
175.11137	7.3
184.07289	28.3
193.12189	32.8
267.15793	95.3
289.14258	4.4
313.27289	100.0
505.31702	4.9
505.38696	77.4
512.48914	3.5
547.39771	3.4
561.95233	3.2
766.53876	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	766.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80760	1.4
55.01851	5.9
55.05499	16.2
55.50716	1.2
57.03417	24.4
57.06784	2.0
57.07059	57.0
65.03905	1.2
67.05484	37.2
69.03401	7.4
69.07045	14.7
71.01281	1.5
71.04956	2.1
71.08607	40.0
73.02882	2.8
79.05466	19.5
81.03388	100.0
81.07018	31.2
83.04950	8.5
83.08595	32.3
85.02855	2.5
85.06522	2.0
85.10155	16.8
86.09705	1.8
89.05984	1.7
90.83422	1.4
91.05450	18.2
92.08669	3.1
93.07017	12.0
95.04940	28.9
95.08571	35.8
97.02848	1.7
97.06506	3.1
97.10132	9.0
99.04458	2.4
105.06981	15.9
107.04906	8.3
107.08569	6.2
109.02863	9.3
109.06474	2.5
109.10141	19.3
110.03589	2.2
111.04404	6.7
111.08060	5.9
119.08539	15.5
121.06500	3.5
121.10102	9.2
123.04370	2.5
123.08022	1.9
123.11650	2.6
127.03883	2.2
129.06966	11.8
131.08496	10.9
133.06450	3.1
133.10095	5.6
135.07983	1.8
135.11594	2.1
147.04384	1.7
147.07970	3.1
147.11678	11.2
149.09573	5.9
157.10046	11.8
161.13235	1.4
163.11111	2.2
175.11140	8.4
191.00040	2.7
193.12193	30.7
235.13194	2.3
239.23582	6.3
257.24750	1.3
267.15826	69.8
273.14801	1.7
301.14294	2.5
309.16837	2.4
313.27252	75.7
410.13977	1.7
445.07486	1.8
465.25253	1.7
467.37125	7.5
493.17050	14.1
505.38675	63.3
506.39029	2.2
507.40417	7.8
539.28339	11.3
547.39856	2.5
589.47919	9.6
607.48920	5.9
613.39917	1.7
630.41205	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.5
57.03415	3.6
57.07053	7.9
60.07919	0.5
60.08146	8.2
61.08463	0.7
63.09454	0.5
67.05482	4.3
69.07021	1.1
69.22518	0.6
71.07341	3.3
71.08613	4.9
79.05450	3.8
81.02950	0.8
81.03390	16.3
81.07037	5.5
83.08591	5.8
83.69571	0.5
85.10159	3.4
85.98692	0.6
86.09679	46.4
87.10001	6.6
91.05437	3.3
93.06998	3.6
95.04939	3.7
95.08572	5.2
97.10130	1.1
98.98418	4.5
99.04421	0.8
104.10690	1.5
105.06995	1.5
107.08550	1.2
109.02875	1.0
109.10117	4.2
111.04420	1.0
111.08044	1.3
119.08567	1.3
121.10084	1.0
124.99963	34.6
126.00287	3.6
127.00264	0.8
131.08537	1.4
133.10016	0.7
147.11630	0.9
149.09586	0.7
175.11116	1.1
184.07281	100.0
185.07645	20.8
185.34071	0.5
186.07695	5.9
193.12135	3.1
253.89679	0.7
267.15811	10.7
278.77542	0.6
313.27271	10.9
352.63849	0.6
359.54150	0.8
417.43909	0.7
493.16992	2.6
505.38797	7.8
507.27295	0.8
539.28778	1.2
714.91089	0.7
715.47223	8.2
716.47253	5.8
766.41840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80579	2.4
55.01858	2.3
55.05482	6.6
57.07048	3.7
67.05485	4.0
68.99752	1.8
69.03393	8.5
69.06678	2.3
69.07043	51.2
71.04953	2.1
73.02892	1.6
76.08471	1.6
79.05449	3.0
81.03371	11.2
81.07034	3.8
83.08589	19.1
85.02868	22.5
87.00774	8.7
87.04401	3.9
89.05997	60.2
91.05426	10.2
93.07008	23.4
95.04920	8.3
97.02841	6.8
99.04412	3.7
103.05407	3.9
103.48360	1.7
105.01821	2.1
105.06992	4.0
107.04887	8.7
107.08589	1.8
108.72569	1.8
109.02846	8.4
111.04404	1.8
115.29305	1.6
117.01806	1.7
119.04849	3.1
119.08522	3.9
121.06464	69.0
125.13208	1.9
127.03838	11.2
133.06415	14.6
133.08551	28.9
135.07983	3.8
143.14244	1.9
147.07970	16.9
159.11664	1.8
161.09520	4.2
165.09062	19.7
177.11139	8.6
209.11624	4.3
289.21384	2.0
359.16678	2.1
359.20499	32.3
483.33008	4.1
501.34067	100.0
502.34171	2.2
549.56512	1.9
669.45087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87740	1.1
54.41560	1.0
55.01855	18.9
62.46995	1.3
65.03922	8.8
67.05506	4.5
69.03398	2.7
69.07064	1.7
71.04966	1.6
75.04460	2.2
76.29954	1.1
79.05463	6.5
81.03374	4.8
81.07037	1.9
82.04177	1.5
83.04948	2.2
85.02870	11.4
91.05459	12.2
93.03372	5.7
93.06989	2.4
94.04144	1.5
95.04922	18.1
97.06499	2.6
103.05432	17.5
105.06993	7.5
107.01281	8.8
107.04908	13.1
107.08561	3.0
109.02850	2.1
109.06509	2.1
110.03616	6.2
111.04410	25.9
115.05430	5.8
117.06981	8.2
119.04899	12.6
121.02840	1.7
121.06467	11.0
122.03609	7.1
123.04386	21.4
124.05070	1.4
125.05963	18.1
128.06177	8.4
129.06958	41.3
131.04889	23.0
131.08524	6.6
133.02797	1.9
133.06458	12.3
134.03615	1.2
135.04369	7.2
135.07994	2.7
135.11653	1.8
136.05133	1.3
137.02339	1.8
137.05939	88.7
139.03848	25.5
139.07481	4.9
140.04550	1.5
141.05499	1.3
141.06923	1.4
142.02501	1.3
143.04881	2.3
144.05699	1.7
145.06422	14.7
147.04390	17.6
147.08017	1.9
148.05272	1.2
149.02295	1.3
149.05939	10.7
150.06688	2.0
151.03864	9.7
151.07504	28.7
153.05446	31.7
155.04843	1.3
155.07016	2.8
157.06435	48.1
158.07108	2.3
159.04413	2.6
159.08017	7.0
160.05148	4.8
161.05920	23.6
161.09624	2.1
162.06723	4.5
163.03851	3.0
163.07469	19.3
165.05424	4.9
165.06848	1.7
167.04868	1.8
167.06982	31.9
167.08327	1.7
171.06526	2.5
172.05246	1.9
173.05942	2.2
174.06702	27.0
175.07475	37.4
176.08051	1.3
177.05403	23.4
177.09036	5.2
179.06996	20.9
181.04886	62.3
181.06467	2.5
181.08525	5.8
185.05933	1.7
187.07428	18.0
188.08334	2.2
189.05415	7.1
189.09036	78.2
191.06960	5.9
191.08525	4.5
193.08510	8.8
195.06407	1.8
195.08064	2.8
197.09685	2.0
199.07523	6.1
201.09061	3.1
203.06970	1.7
205.06706	1.4
205.08611	5.6
207.06427	5.8
207.08118	2.2
209.07939	14.4
209.09691	2.0
210.06680	1.6
211.07437	5.1
213.09099	1.6
215.06967	1.6
217.06604	2.4
217.08499	15.3
218.07167	4.9
219.08012	7.7
219.10130	20.1
221.05984	2.9
221.08014	17.4
221.09862	2.5
225.09015	5.8
233.09637	2.3
234.06743	4.7
235.07475	3.6
235.09677	6.7
237.09061	5.3
238.06216	1.8
238.09845	2.3
239.06958	1.8
240.07724	2.3
241.08548	2.5
247.07428	4.9
248.08232	2.2
249.08929	11.2
250.09795	2.1
251.06996	2.3
251.10664	5.7
253.08467	9.9
254.09230	1.4
255.10092	2.2
261.08905	9.6
262.06076	1.5
263.06857	2.3
264.07739	2.3
265.08521	7.5
267.09995	5.0
269.08099	2.6
277.08362	14.2
278.09296	6.5
279.10254	8.6
281.08075	2.4
281.11566	6.7
283.09634	3.0
285.07324	1.7
289.08554	2.2
291.10184	2.4
293.08151	1.7
293.11627	2.6
294.08887	1.5
295.09525	4.2
296.10196	4.6
297.11133	11.0
299.12567	4.5
300.09827	5.0
307.09647	2.7
309.11118	8.5
311.09348	2.2
311.12625	18.0
313.10611	10.7
313.14258	6.0
314.11346	2.3
321.11078	2.5
327.12259	13.2
328.12964	2.2
329.13721	100.0
330.14276	1.5
331.15155	2.7
339.12238	26.5
341.13641	5.7
343.15302	7.4
353.13693	2.2
357.13193	50.0
359.14767	46.8
361.16238	4.4
371.10168	2.7
371.14752	66.7
375.14230	22.3
389.15808	88.7
509.21570	1.6
519.19519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87740	1.1
54.41560	1.0
55.01855	18.9
62.46995	1.3
65.03922	8.8
67.05506	4.5
69.03398	2.7
69.07064	1.7
71.04966	1.6
75.04460	2.2
76.29954	1.1
79.05463	6.5
81.03374	4.8
81.07037	1.9
82.04177	1.5
83.04948	2.2
85.02870	11.4
91.05459	12.2
93.03372	5.7
93.06989	2.4
94.04144	1.5
95.04922	18.1
97.06499	2.6
103.05432	17.5
105.06993	7.5
107.01281	8.8
107.04908	13.1
107.08561	3.0
109.02850	2.1
109.06509	2.1
110.03616	6.2
111.04410	25.9
115.05430	5.8
117.06981	8.2
119.04899	12.6
121.02840	1.7
121.06467	11.0
122.03609	7.1
123.04386	21.4
124.05070	1.4
125.05963	18.1
128.06177	8.4
129.06958	41.3
131.04889	23.0
131.08524	6.6
133.02797	1.9
133.06458	12.3
134.03615	1.2
135.04369	7.2
135.07994	2.7
135.11653	1.8
136.05133	1.3
137.02339	1.8
137.05939	88.7
139.03848	25.5
139.07481	4.9
140.04550	1.5
141.05499	1.3
141.06923	1.4
142.02501	1.3
143.04881	2.3
144.05699	1.7
145.06422	14.7
147.04390	17.6
147.08017	1.9
148.05272	1.2
149.02295	1.3
149.05939	10.7
150.06688	2.0
151.03864	9.7
151.07504	28.7
153.05446	31.7
155.04843	1.3
155.07016	2.8
157.06435	48.1
158.07108	2.3
159.04413	2.6
159.08017	7.0
160.05148	4.8
161.05920	23.6
161.09624	2.1
162.06723	4.5
163.03851	3.0
163.07469	19.3
165.05424	4.9
165.06848	1.7
167.04868	1.8
167.06982	31.9
167.08327	1.7
171.06526	2.5
172.05246	1.9
173.05942	2.2
174.06702	27.0
175.07475	37.4
176.08051	1.3
177.05403	23.4
177.09036	5.2
179.06996	20.9
181.04886	62.3
181.06467	2.5
181.08525	5.8
185.05933	1.7
187.07428	18.0
188.08334	2.2
189.05415	7.1
189.09036	78.2
191.06960	5.9
191.08525	4.5
193.08510	8.8
195.06407	1.8
195.08064	2.8
197.09685	2.0
199.07523	6.1
201.09061	3.1
203.06970	1.7
205.06706	1.4
205.08611	5.6
207.06427	5.8
207.08118	2.2
209.07939	14.4
209.09691	2.0
210.06680	1.6
211.07437	5.1
213.09099	1.6
215.06967	1.6
217.06604	2.4
217.08499	15.3
218.07167	4.9
219.08012	7.7
219.10130	20.1
221.05984	2.9
221.08014	17.4
221.09862	2.5
225.09015	5.8
233.09637	2.3
234.06743	4.7
235.07475	3.6
235.09677	6.7
237.09061	5.3
238.06216	1.8
238.09845	2.3
239.06958	1.8
240.07724	2.3
241.08548	2.5
247.07428	4.9
248.08232	2.2
249.08929	11.2
250.09795	2.1
251.06996	2.3
251.10664	5.7
253.08467	9.9
254.09230	1.4
255.10092	2.2
261.08905	9.6
262.06076	1.5
263.06857	2.3
264.07739	2.3
265.08521	7.5
267.09995	5.0
269.08099	2.6
277.08362	14.2
278.09296	6.5
279.10254	8.6
281.08075	2.4
281.11566	6.7
283.09634	3.0
285.07324	1.7
289.08554	2.2
291.10184	2.4
293.08151	1.7
293.11627	2.6
294.08887	1.5
295.09525	4.2
296.10196	4.6
297.11133	11.0
299.12567	4.5
300.09827	5.0
307.09647	2.7
309.11118	8.5
311.09348	2.2
311.12625	18.0
313.10611	10.7
313.14258	6.0
314.11346	2.3
321.11078	2.5
327.12259	13.2
328.12964	2.2
329.13721	100.0
330.14276	1.5
331.15155	2.7
339.12238	26.5
341.13641	5.7
343.15302	7.4
353.13693	2.2
357.13193	50.0
359.14767	46.8
361.16238	4.4
371.10168	2.7
371.14752	66.7
375.14230	22.3
389.15808	88.7
509.21570	1.6
519.19519	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.9
57.03387	0.4
58.99552	0.6
59.78212	0.4
63.09373	0.4
65.03910	4.0
67.05458	1.1
69.03387	0.5
69.07050	0.7
75.04446	3.4
78.04673	2.4
79.05449	4.3
81.03365	2.2
81.07001	2.0
82.04163	0.7
85.02861	5.1
86.98991	0.6
89.03867	0.8
89.05988	0.8
89.75745	0.5
91.05436	14.4
93.03360	11.0
93.07007	6.3
95.04929	6.9
95.08544	0.9
97.06478	4.0
101.89171	0.5
103.04775	0.9
103.05426	20.7
105.03356	0.9
105.06985	7.7
106.04136	27.7
107.04923	9.3
109.06489	4.1
110.03607	0.8
111.04388	2.8
115.05450	4.2
115.06185	0.5
117.03342	1.0
117.06969	3.0
118.04104	4.6
119.04874	2.5
120.05743	0.6
121.06454	31.2
122.03621	0.7
123.04357	4.7
124.05153	2.8
125.05959	10.4
129.06898	0.5
130.04124	0.7
131.04883	17.8
131.05879	0.9
132.05647	2.6
133.02805	5.2
133.06450	9.2
134.03603	5.0
135.04350	2.9
135.08005	2.2
137.05914	11.3
138.03076	0.6
138.06746	0.8
139.03825	0.6
139.07529	3.6
142.02563	0.7
143.04865	0.9
144.05649	0.9
145.02821	1.1
145.06448	5.4
146.03607	0.9
146.07162	0.6
147.04361	1.0
147.08014	2.2
148.05142	10.7
149.05927	49.6
151.02086	1.0
151.03830	3.1
151.07457	2.8
152.04646	0.8
153.05420	5.3
153.09059	13.0
155.07036	0.6
157.06483	1.0
159.04340	0.8
159.08005	0.7
160.05083	1.1
161.05907	9.0
162.03131	0.8
162.06755	0.5
163.03830	1.1
163.07477	15.3
165.05405	7.8
166.06183	2.0
167.06975	55.3
168.07323	0.9
171.06458	3.9
173.05928	5.9
174.06670	0.6
175.07442	2.4
176.04639	3.2
177.05396	28.1
177.08936	0.8
179.01518	1.2
179.06912	0.7
180.07777	0.9
181.04883	47.2
181.08501	22.1
181.10158	0.6
182.05421	0.7
187.07463	1.2
189.05377	1.0
190.06146	0.7
191.06949	45.6
192.07645	2.2
193.04845	0.7
193.08540	2.3
195.06412	2.6
197.08034	6.6
201.05370	0.9
203.06941	1.0
205.08525	2.7
207.06407	0.7
207.08208	0.6
207.10156	0.7
209.08017	100.0
210.08217	1.6
217.08560	0.8
219.10100	2.1
221.07999	0.6
223.04286	0.8
233.08026	2.6
235.07384	1.1
235.09535	3.7
263.06570	0.7
263.09067	8.9
265.08258	0.5
267.10095	1.0
270.94696	0.5
279.09784	0.7
297.11230	0.8
299.08862	0.6
301.07224	6.9
313.07285	2.3
313.10620	0.6
325.10596	1.8
336.88739	0.6
353.09741	0.8
357.13004	2.9
385.12662	4.0
387.14035	0.5
399.14096	0.9
417.15302	14.5
418.15753	0.6
453.08282	0.5
475.24167	0.5
519.23737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.4
55.05490	2.0
57.03413	2.6
57.07045	0.5
60.08146	1.5
61.02905	7.7
67.05484	7.1
69.03402	4.4
69.07047	1.9
71.01304	0.6
71.04970	0.8
73.02873	5.2
79.05470	5.6
81.03381	5.1
81.07019	6.4
83.04939	1.5
83.08599	0.7
86.09677	3.9
87.90370	0.3
91.03918	4.4
91.05437	3.9
93.07004	5.7
93.97253	0.4
95.04922	0.5
95.08584	4.7
97.02843	5.1
97.06474	0.6
99.04417	0.9
101.02337	2.9
103.03909	0.6
103.31491	0.4
105.06995	3.0
107.08548	2.7
109.02837	0.5
109.10143	1.8
110.90018	0.4
110.98779	0.4
111.22980	0.4
117.06950	0.4
119.08544	2.0
121.10090	4.8
123.11655	0.6
125.00001	3.3
127.03877	2.0
129.06970	1.6
131.08574	2.0
133.10115	1.9
135.11681	0.8
139.11172	0.5
147.11655	0.7
149.09523	0.5
149.13272	0.5
157.10059	0.6
184.07283	10.5
185.04198	0.7
185.07597	0.5
225.11041	0.6
243.08299	3.5
251.12418	0.8
269.13510	2.7
325.90875	0.5
335.25757	0.8
371.17047	0.5
443.18692	4.5
469.20334	2.1
487.21478	4.2
505.38882	2.6
519.29095	11.8
591.30817	0.6
592.32654	0.4
620.40863	0.5
675.43390	0.6
721.41046	1.9
747.42529	2.2
764.42200	0.8
765.43634	100.0
766.43713	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	765.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05497	2.7
55.90451	0.6
57.03421	2.9
61.02908	9.1
67.05484	8.3
69.03401	5.1
69.07055	2.9
71.01301	0.6
71.04965	0.7
73.02882	7.5
79.05451	5.5
80.22266	0.5
81.03379	4.4
81.07025	6.2
83.02102	0.5
83.04934	0.6
86.09660	0.8
91.03933	5.2
91.05464	4.0
93.07013	5.6
95.04976	0.6
95.08557	5.6
97.02860	6.6
97.10174	0.7
99.04431	0.7
101.02380	2.2
103.03899	0.7
105.07003	2.2
107.08559	3.2
109.02863	0.8
109.10167	2.5
114.35476	0.6
119.08573	2.0
121.10129	3.0
127.03883	1.3
130.56264	0.5
131.08572	1.1
133.10091	0.9
135.11720	0.8
145.10144	0.5
149.09630	0.9
149.13173	0.5
157.10054	0.6
157.53714	0.5
184.07289	2.8
193.12282	0.6
216.07263	0.6
219.05292	0.7
243.08371	2.5
269.13412	4.1
330.93579	0.6
344.13995	0.6
391.22003	0.8
443.18698	5.5
469.20541	0.8
487.21716	2.1
519.29102	11.5
564.21954	0.7
721.40533	1.4
747.43066	2.2
764.42908	0.9
765.43689	100.0
766.44281	4.4
775.57538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05018	0.8
57.07062	0.6
58.06606	0.2
60.08142	7.5
67.05498	1.1
69.07056	0.4
71.07346	3.7
71.08601	0.3
71.59222	0.1
74.76762	0.1
79.05474	0.6
81.03375	0.2
81.07033	0.9
81.17019	0.2
83.08566	0.2
86.09674	43.1
87.10013	0.2
91.05445	0.3
93.06982	0.3
95.08596	0.4
98.98425	3.5
104.10702	2.9
107.08551	0.2
109.10130	0.3
124.99959	29.9
135.11568	0.2
143.00970	0.3
157.69519	0.1
164.79633	0.2
184.07278	100.0
185.07648	0.4
587.46393	0.3
714.46826	11.5
715.46283	0.6
764.41602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.8
55.05244	1.7
55.05494	31.2
55.16688	0.9
57.03420	18.7
57.07043	4.5
57.78798	0.7
61.02901	5.8
64.47810	0.9
65.03910	3.3
67.05482	100.0
69.03386	1.3
69.07041	21.3
71.04967	3.5
71.08585	0.9
77.03902	0.9
79.05460	72.1
81.07024	85.3
83.04971	0.9
83.08582	9.3
85.02866	2.1
85.06494	4.0
91.04905	1.8
91.05448	41.0
93.07008	82.5
95.04916	7.7
95.07951	2.1
95.08568	65.5
97.02846	4.0
97.06517	3.2
97.10129	2.1
99.08083	1.2
105.04420	0.9
105.06999	31.1
107.08559	35.2
109.06465	2.1
109.10123	26.1
111.08068	1.5
111.11674	1.1
117.06981	13.4
119.08528	22.0
121.10099	32.0
123.08070	1.1
123.11639	9.4
125.09591	1.7
129.06992	2.0
131.08507	22.6
133.10091	20.1
135.11659	19.6
137.09558	1.4
137.13184	1.3
143.08524	3.6
145.10069	16.3
147.11661	10.1
149.13220	9.5
157.10086	2.2
159.11636	14.3
161.13210	7.0
163.14792	2.1
169.10074	1.0
171.11555	1.5
173.13191	9.8
175.14735	1.6
187.14725	5.1
189.16284	1.1
199.14732	1.0
201.16298	1.4
205.19380	1.3
213.16315	4.2
215.17882	10.5
231.17345	1.9
233.18896	4.6
243.21056	2.0
254.84985	1.0
259.20514	1.7
261.21964	10.1
305.20969	1.1
307.19098	1.8
307.22586	41.6
309.24112	2.3
317.24872	1.4
327.26511	1.0
333.24246	1.5
335.25677	49.9
337.27341	4.1
386.27051	1.0
542.22064	1.0
567.43701	13.7
585.44812	10.3
657.60742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05016	0.5
57.03415	0.2
57.07064	0.4
60.08138	7.4
67.05479	1.0
69.07041	1.0
69.53271	0.2
71.07339	4.0
71.08607	0.4
72.10934	0.2
75.26499	0.2
79.05470	0.8
81.03401	0.8
81.07027	1.4
82.39662	0.2
83.08586	0.5
86.09669	40.7
87.04430	0.3
91.05427	0.4
93.06996	0.4
95.04951	0.2
95.08559	0.8
96.31409	0.2
98.98407	3.0
104.10695	2.1
105.06995	0.4
105.91677	0.2
107.04915	0.2
107.08572	0.2
107.39119	0.2
109.06435	0.3
109.10060	0.2
112.76749	0.2
121.10109	0.3
124.99949	30.1
128.31340	0.2
131.08559	0.3
143.01012	0.5
152.86699	0.2
165.04523	0.2
184.07266	100.0
185.07565	0.4
210.97693	0.3
267.15826	0.5
358.24557	0.2
394.84161	0.2
429.39954	0.2
470.49011	0.2
507.40039	1.1
587.46033	0.8
605.47504	0.7
714.35681	0.8
714.46735	10.4
715.46570	0.4
764.40887	1.4
765.40173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.9
58.35359	0.5
65.03914	1.1
65.97971	0.5
67.05482	2.3
69.03413	0.7
79.05452	1.3
81.03404	2.6
85.02870	2.6
91.05453	5.9
92.08721	1.2
94.04169	0.7
95.04924	5.3
97.06516	0.6
98.52354	0.5
102.04652	0.8
103.05434	28.4
105.03392	0.6
105.07006	4.1
107.04938	5.5
108.02057	1.2
109.06487	0.7
111.04372	1.3
115.05418	4.4
117.06973	5.9
118.03408	0.6
118.04097	4.7
119.04901	8.3
121.06467	1.3
122.03617	5.2
122.67233	0.6
123.04401	3.8
125.05968	5.4
128.06177	1.0
129.06973	2.3
130.04062	1.0
131.04889	50.3
132.05664	0.9
133.02834	3.3
133.06451	4.5
135.04372	1.0
135.08003	2.3
137.05937	100.0
141.05434	2.6
143.04907	3.8
145.06439	6.9
146.03604	0.9
147.04382	8.2
147.08006	1.3
148.05164	12.6
149.05948	2.5
151.03865	93.1
151.04938	6.7
151.07507	3.2
153.05426	3.7
159.04498	0.7
159.07993	0.9
160.05179	2.2
161.05948	6.8
163.03970	0.7
163.07487	34.9
165.05437	3.0
167.06955	12.4
167.08214	0.6
171.04291	1.1
171.06566	1.1
173.05891	5.1
174.06694	1.0
175.07481	9.2
176.04639	3.5
177.05441	3.9
177.09012	1.1
179.07005	7.4
181.04903	22.3
181.06476	1.2
181.08441	0.6
187.07480	3.7
189.05428	2.2
189.09087	0.8
190.06203	1.4
191.06966	99.9
192.07593	0.6
193.04843	0.6
193.08574	2.1
203.06927	4.4
205.06653	1.0
205.08543	5.4
207.10060	1.0
209.08022	3.2
215.07092	0.8
217.08562	2.4
219.08156	0.9
219.10144	3.1
223.09575	0.8
233.05933	0.7
233.08051	3.0
235.07422	2.3
235.09633	3.0
237.09038	3.0
249.08995	2.2
251.07010	1.0
263.06573	1.1
263.09073	16.2
265.08514	2.2
267.10016	1.0
269.11765	0.7
277.08533	1.4
281.11719	0.7
293.07965	0.8
293.63925	0.6
295.09497	2.0
297.11053	0.9
309.11035	1.3
323.08939	0.7
325.10562	2.3
327.12109	2.5
329.13702	1.4
337.10672	1.0
341.13620	1.1
351.12103	0.8
355.11697	8.1
357.13232	0.9
359.14874	1.0
369.13028	4.2
387.14258	49.7
517.18280	2.9
521.21112	0.6
549.20941	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.3
64.95355	0.4
65.03920	2.1
67.05462	2.5
69.03412	0.5
70.36562	0.4
70.40334	0.5
75.04429	0.8
75.58418	0.5
78.36050	0.6
79.05453	3.2
81.03382	2.5
81.07046	0.7
85.02866	3.3
89.95382	0.5
91.05450	6.0
94.04128	2.2
95.04913	4.9
95.08600	0.7
97.06464	1.0
103.05431	25.3
105.03340	0.6
105.06988	4.2
107.04905	4.2
108.02038	0.5
109.06490	1.1
111.04391	1.1
115.05418	4.9
117.07003	4.9
118.04131	4.6
119.04889	7.1
119.08532	1.1
121.06448	2.3
122.03608	6.5
123.04396	4.2
125.05927	3.4
128.06224	0.9
129.06992	2.8
131.04880	45.3
133.02805	2.8
133.06441	6.0
134.03600	1.0
135.08015	3.4
137.05931	98.5
141.05408	3.3
143.04874	2.4
145.06432	6.5
146.03592	1.0
147.03346	0.7
147.04375	8.7
147.08029	2.8
148.05145	11.4
149.05908	2.7
151.03859	95.0
151.04924	5.9
151.07462	2.4
153.05420	3.7
155.06992	0.7
157.06462	0.9
159.04282	0.6
160.05136	3.2
160.06384	0.5
161.05917	6.4
162.06702	1.2
163.07477	27.4
165.05408	3.3
165.09023	0.6
167.06961	9.9
171.04320	1.1
171.06477	1.0
173.05911	5.1
174.06691	0.9
175.07451	8.3
176.04648	2.3
177.05412	3.5
177.08994	0.7
179.06984	5.1
179.08308	0.7
181.04904	25.7
187.07487	2.7
189.05377	2.2
189.06970	0.5
189.09036	1.1
190.06221	0.9
191.06956	100.0
193.08556	1.4
195.06375	0.7
199.07521	0.5
201.05418	0.9
203.06943	3.6
205.06552	1.9
205.08556	4.6
207.08205	0.9
207.10028	1.2
209.08096	2.4
217.08505	1.0
219.10124	1.2
221.07921	0.7
223.09607	0.9
233.05931	0.9
233.07896	4.1
234.06561	1.0
235.07410	0.7
235.09485	2.4
237.08981	2.5
244.22592	0.7
245.08174	0.7
249.09006	2.5
251.06970	0.7
257.08075	0.6
260.22238	0.6
263.06610	0.8
263.09073	17.1
265.08420	2.6
266.09293	0.8
267.09998	1.3
277.08527	2.3
279.09888	0.8
281.11755	0.6
293.07892	1.1
295.09671	0.9
297.11115	1.1
309.11115	2.0
323.08893	0.6
325.10471	2.1
327.12170	3.4
329.13818	2.3
337.10437	2.3
351.12158	2.1
355.11682	9.3
357.13058	2.3
359.14697	2.7
369.13138	4.2
387.14240	50.9
388.14569	0.8
395.02951	0.7
407.70944	0.6
486.34857	0.6
517.18420	2.3
549.20898	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.6
57.03390	2.1
58.06578	0.5
60.08138	8.0
60.52404	0.4
61.02911	3.8
61.08452	0.4
67.05141	0.3
67.05483	4.5
69.03405	3.0
69.07027	1.9
71.07346	4.8
73.02899	3.3
79.05460	3.1
81.03349	1.8
81.07034	5.2
83.04919	0.5
83.08548	0.7
85.02866	4.1
86.09675	44.7
87.10004	3.6
91.03885	2.3
91.05413	2.2
92.08676	1.2
93.06995	3.8
93.12324	0.5
94.05604	0.5
95.04910	0.7
95.08573	3.6
97.02852	4.0
98.98427	3.9
99.04395	0.7
101.02311	1.0
102.66662	0.4
104.10665	2.2
105.06960	0.5
107.04916	0.5
107.08533	1.0
109.10120	0.8
119.08494	0.7
121.10081	1.7
124.99959	32.7
126.00273	0.9
127.03771	0.7
131.08504	0.5
135.11653	0.9
147.11586	0.5
163.11060	0.7
184.07272	100.0
185.07625	7.2
186.47865	0.5
227.62370	0.4
237.03658	0.4
243.08347	1.6
257.21130	0.4
267.12012	0.5
335.25696	0.6
441.17307	2.0
446.98343	0.5
467.18463	2.0
473.69037	0.5
485.19806	2.3
519.29095	5.1
712.45349	4.7
713.45709	6.9
745.40753	1.9
763.42072	60.4
764.41968	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00015	0.6
53.00278	1.0
55.05503	1.1
57.03431	2.4
57.27326	0.5
61.02916	7.2
64.76070	0.5
67.05485	7.6
69.03410	3.9
69.07049	1.5
71.04973	2.8
72.10486	0.6
73.02891	6.7
79.05473	6.1
81.03405	2.5
81.07029	8.8
83.04946	1.3
83.08581	1.0
85.02870	7.8
91.03935	3.4
91.05471	3.5
93.07008	6.0
95.08599	4.0
97.02853	7.0
99.04430	1.0
101.02349	3.2
101.23663	0.6
105.07030	1.4
107.08595	3.2
109.10164	2.6
119.08548	1.1
121.10091	1.1
123.11677	0.8
128.95863	0.7
131.08542	1.4
133.10156	2.5
135.11710	0.8
139.40996	0.6
145.10103	0.7
147.04491	0.7
149.13261	0.7
184.07368	1.3
185.04205	0.6
243.08408	3.0
267.15588	1.4
290.35596	0.7
334.86215	0.7
335.25824	1.2
356.03012	0.6
396.18188	0.8
398.02911	0.6
485.23422	5.3
519.29059	8.8
520.96698	0.6
650.81073	0.7
763.45795	100.0
764.46381	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.81073	0.4
55.01853	0.9
55.05493	2.6
57.03426	4.3
60.08125	0.4
61.02904	9.7
62.76680	0.4
67.05486	8.6
69.03407	4.9
69.07055	1.8
71.04964	0.6
73.02884	5.9
76.53510	0.4
79.05457	6.4
81.03391	3.6
81.07025	7.4
83.04972	1.0
83.08609	0.9
85.02873	8.3
86.09669	4.4
91.03922	5.3
91.05431	3.2
93.07018	6.9
95.04957	0.6
95.08562	7.1
97.02857	7.9
99.04424	0.6
101.02342	3.6
105.03403	0.6
105.07018	2.8
107.08541	3.7
109.02891	0.9
109.06480	0.5
109.10132	3.0
115.03910	0.6
117.07027	0.7
119.08585	1.7
121.10115	4.2
124.99926	3.8
127.03902	1.9
129.05504	0.4
131.08575	1.7
133.10085	0.4
135.11681	1.7
145.10063	0.8
149.13272	0.5
163.11179	1.8
165.13043	0.5
184.07297	10.2
185.04140	1.0
185.07657	0.5
201.11430	0.6
209.11647	0.5
227.12819	0.6
243.08324	3.4
249.04411	0.4
267.11847	4.0
335.25839	0.7
382.11765	0.5
395.17352	0.5
441.17297	4.7
467.49255	0.5
485.19742	3.8
519.29089	10.5
719.39063	2.1
745.41675	1.0
763.42078	100.0
764.42389	5.0
784.05774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.6
57.03390	2.1
58.06578	0.5
60.08138	8.0
60.52404	0.4
61.02911	3.8
61.08452	0.4
67.05141	0.3
67.05483	4.5
69.03405	3.0
69.07027	1.9
71.07346	4.8
73.02899	3.3
79.05460	3.1
81.03349	1.8
81.07034	5.2
83.04919	0.5
83.08548	0.7
85.02866	4.1
86.09675	44.7
87.10004	3.6
91.03885	2.3
91.05413	2.2
92.08676	1.2
93.06995	3.8
93.12324	0.5
94.05604	0.5
95.04910	0.7
95.08573	3.6
97.02852	4.0
98.98427	3.9
99.04395	0.7
101.02311	1.0
102.66662	0.4
104.10665	2.2
105.06960	0.5
107.04916	0.5
107.08533	1.0
109.10120	0.8
119.08494	0.7
121.10081	1.7
124.99959	32.7
126.00273	0.9
127.03771	0.7
131.08504	0.5
135.11653	0.9
147.11586	0.5
163.11060	0.7
184.07272	100.0
185.07625	7.2
186.47865	0.5
227.62370	0.4
237.03658	0.4
243.08347	1.6
257.21130	0.4
267.12012	0.5
335.25696	0.6
441.17307	2.0
446.98343	0.5
467.18463	2.0
473.69037	0.5
485.19806	2.3
519.29095	5.1
712.45349	4.7
713.45709	6.9
745.40753	1.9
763.42072	60.4
764.41968	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45617	1.2
59.97047	1.3
60.08170	1.9
66.43189	1.2
67.05466	2.0
69.07032	1.6
79.05453	1.5
81.07030	1.7
81.80254	1.4
83.57030	1.4
86.09678	15.1
92.09299	3.7
98.98383	2.1
124.99978	9.2
184.07285	28.2
195.00302	2.0
239.17213	1.4
243.50110	1.7
533.49353	1.5
742.65479	1.6
762.38287	9.5
763.39624	100.0
764.40027	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	763.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05494	0.7
57.03423	2.3
58.28056	0.3
58.75226	0.3
61.02914	4.3
66.46185	0.3
67.05486	3.3
69.03407	3.1
69.07040	0.6
73.02882	3.7
79.05470	4.4
81.03395	4.5
81.07028	3.6
82.41019	0.4
83.04951	0.9
83.08617	0.6
85.02874	6.3
87.20290	0.4
91.03938	3.0
91.05437	5.2
92.09304	0.5
93.06996	5.1
95.04945	2.1
95.08591	1.7
97.02847	4.5
97.10164	0.4
99.04455	0.6
101.02364	1.0
105.07008	3.9
107.08585	2.0
109.02866	0.8
109.10095	0.7
119.08566	3.4
121.10094	1.7
127.03889	1.7
129.06976	1.0
131.08574	1.6
133.10115	1.9
135.11656	0.7
147.11668	2.2
149.09570	0.4
157.10106	0.9
184.07378	0.7
185.04175	0.9
193.12247	0.9
211.13251	0.9
243.08385	3.6
251.12456	0.8
301.08923	2.3
307.15094	0.7
315.10492	0.6
317.20950	0.5
373.11246	0.6
383.16663	0.5
443.18735	0.5
469.20306	12.0
535.28674	3.5
541.22552	0.8
630.95544	0.5
652.49969	0.6
763.42133	100.0
764.42432	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	763.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.5
56.04996	0.5
59.06358	0.4
59.64073	0.3
60.08146	8.5
60.86838	0.4
61.02861	0.7
64.32275	0.4
67.05452	2.2
71.07347	3.9
73.02870	0.6
79.05443	0.7
81.03356	1.8
81.07017	1.7
83.08541	0.4
85.02843	0.7
86.09673	43.3
87.10017	3.4
93.06969	0.7
95.04906	0.6
95.08540	0.9
97.02834	0.6
98.98447	3.9
104.10677	2.9
105.07008	0.5
107.08495	0.6
124.99953	34.1
126.00247	0.6
184.07269	100.0
185.07640	7.8
308.88177	0.5
504.11255	0.5
529.37927	0.5
650.11414	0.5
676.19104	0.5
712.45306	5.5
713.45502	7.7
763.40125	90.0
764.40424	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	763.4
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08143	8.6
67.05482	1.1
69.07016	0.6
71.07339	5.2
73.02902	0.8
76.04248	0.5
81.03401	1.3
81.07025	1.1
86.09678	45.4
87.10011	3.6
91.05439	0.6
93.07020	0.7
95.05010	0.6
98.98426	3.9
104.10732	2.8
124.99962	32.5
125.04093	0.6
143.00987	0.8
148.13876	0.6
169.53094	0.6
184.07285	100.0
185.07646	9.5
253.29758	0.6
341.62360	0.6
364.13297	0.6
712.45575	4.6
713.45428	8.0
763.40161	86.2
764.40039	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	763.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77903	0.6
55.01873	0.6
60.08155	0.9
61.02891	1.0
67.05474	3.3
76.02914	0.6
79.05476	1.4
81.03405	1.3
81.06983	1.0
85.02890	1.6
86.09677	5.0
91.05471	1.2
93.07016	1.8
95.04950	0.8
95.08580	0.9
97.02867	1.0
99.04392	0.8
119.08575	0.9
124.99904	2.3
179.90222	0.7
184.07274	10.5
212.85757	0.8
217.55324	0.9
243.15752	0.9
285.09781	0.8
406.29651	0.9
456.88007	0.9
478.33246	0.9
519.28912	1.7
742.88605	0.9
745.40314	1.1
763.40479	100.0
764.40851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.3
62.71000	1.3
67.05495	1.8
71.32935	1.3
79.05483	1.6
81.03387	1.8
81.07048	2.1
86.09676	5.8
86.47068	1.5
91.05447	1.8
93.07040	2.0
95.08570	2.7
101.85831	1.4
105.06940	1.9
117.07026	2.1
119.41592	1.4
124.99953	1.8
137.07744	1.3
184.07292	13.7
210.97684	1.7
245.42636	1.5
285.10013	2.2
392.80176	1.6
438.45859	1.5
480.69037	1.8
636.36963	1.7
713.34601	3.2
763.40234	100.0
764.40576	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	762.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95634	0.1
55.05494	0.3
56.05020	0.4
57.03425	0.2
58.06584	0.2
60.08143	7.5
61.02903	0.7
67.05473	1.2
69.03400	0.3
69.07045	0.3
71.04937	0.2
71.07344	4.5
73.02897	0.3
79.05461	1.1
79.20210	0.2
81.03378	0.4
81.07022	1.2
85.02866	0.3
86.09676	41.4
87.04402	0.2
87.10011	0.2
91.03913	0.3
91.05453	0.4
93.07018	1.0
95.04931	0.2
95.08567	0.9
96.56568	0.2
97.02847	0.7
98.98428	3.8
99.76859	0.2
104.10695	2.6
105.06956	0.3
107.08596	0.6
109.06451	0.2
109.10110	0.3
117.06992	0.2
121.10095	0.3
124.99958	31.7
135.11522	0.2
143.00992	0.2
145.96919	0.2
184.07277	100.0
185.07593	0.8
256.19684	0.2
291.45764	0.2
319.76776	0.2
333.31348	0.2
354.82648	0.2
373.75958	0.2
464.55771	0.2
519.29346	0.3
712.45239	10.3
713.45050	0.4
745.39929	0.3
762.40326	1.7
763.42133	7.1
780.88348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.3
58.06593	0.2
60.08144	7.8
65.22245	0.2
66.76202	0.2
67.05495	0.2
69.07024	0.3
71.07349	3.7
79.05435	0.3
81.03385	0.3
81.07034	0.8
86.09675	40.6
93.07015	0.3
95.08584	0.2
98.98427	3.2
104.10706	2.6
107.08540	0.2
124.99958	30.6
143.00943	0.4
162.73322	0.2
184.07275	100.0
185.07593	0.9
202.57410	0.2
267.15854	0.2
355.16675	0.2
391.51300	0.2
416.12732	0.2
419.19769	0.3
475.12216	0.2
476.08548	0.2
712.45221	10.7
713.45129	0.3
763.39935	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	762.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
60.08141	7.7
65.20803	0.4
67.05467	2.2
68.89059	0.4
69.07032	1.0
69.70307	0.4
71.07350	5.1
79.05450	1.1
81.07027	2.1
83.08602	0.9
86.09673	50.6
91.05468	0.5
93.07008	1.1
93.65082	0.5
95.08558	1.1
98.98415	4.1
104.10686	2.2
105.06996	0.9
108.87373	0.5
109.10153	0.7
124.99954	35.0
184.07274	100.0
287.96307	0.5
306.68118	0.5
417.36926	0.5
489.35672	0.7
513.78003	0.6
602.22583	0.7
762.49359	8.3
763.41730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.8
56.25705	0.7
60.08144	9.7
61.38414	0.6
64.96074	0.8
66.61462	0.6
67.05497	1.1
69.07033	0.8
71.07359	5.8
81.07063	1.1
86.09678	49.0
87.44741	0.7
91.05455	1.2
93.07014	0.8
95.04988	0.8
95.08528	1.0
98.98435	3.5
104.10725	3.1
124.99961	34.7
143.01074	0.7
159.47305	0.8
176.87619	0.7
184.07283	100.0
226.43382	0.8
281.42117	0.8
440.32599	0.8
636.81274	0.8
662.36218	1.5
762.45081	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	762.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
56.96535	1.0
65.03912	0.4
67.05470	1.5
68.09026	0.2
69.03398	1.9
76.54946	0.2
79.05456	0.4
83.04947	3.8
85.02871	1.2
89.03883	2.2
91.05537	0.2
92.09347	0.2
93.03356	1.4
95.04929	3.7
96.53774	0.2
97.02856	0.3
98.97508	0.4
107.04918	2.0
109.02824	0.3
111.03675	0.4
111.04401	7.0
116.98611	0.3
117.03335	3.8
121.02792	0.4
123.04341	0.3
129.05431	4.9
134.99620	0.3
135.04366	14.5
137.02281	1.8
137.05933	0.3
139.03848	5.5
142.22412	0.2
143.00171	0.3
145.02809	10.9
146.61586	0.3
147.06479	2.2
149.02292	0.2
153.05405	1.1
157.04921	1.8
161.01242	0.4
163.03841	100.0
164.04193	1.8
165.05461	0.3
175.05948	0.3
181.04893	2.1
185.01126	0.5
193.06975	4.5
203.02136	0.5
204.32088	0.2
205.12352	0.3
213.00667	0.6
227.02109	0.5
231.01707	0.4
237.02682	0.3
249.02870	0.3
273.03146	0.2
282.84167	0.3
323.05344	0.4
355.10117	14.1
373.11133	2.3
382.07217	0.6
389.04572	0.5
390.06900	1.4
390.57236	0.6
391.07764	0.4
533.94983	0.3
772.95551	0.3
789.68677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01852	0.8
55.05491	1.9
57.03415	2.2
61.02899	5.2
67.05489	4.2
69.03401	3.8
69.07043	3.3
71.04988	0.5
72.78545	0.4
73.02877	4.3
76.70481	0.4
79.05452	5.1
81.03381	4.4
81.07034	4.0
83.04965	1.4
83.08592	0.8
85.02882	7.2
86.09696	0.4
91.03922	2.3
91.05467	4.9
93.07005	3.8
95.01279	0.5
95.04936	3.4
95.08586	2.5
97.02863	5.2
97.10137	0.4
99.04403	0.5
101.02351	2.0
105.07001	4.5
107.04881	0.7
107.08557	0.9
109.02840	0.8
109.06453	0.4
109.10118	0.5
117.07016	0.7
119.08549	3.5
120.34805	0.3
121.10069	0.7
127.03905	1.6
129.06963	0.6
131.08517	2.3
133.10109	2.7
145.10156	0.5
147.08078	0.5
147.11671	2.1
149.09610	0.8
150.10440	0.5
155.19220	0.4
156.33878	0.4
157.10107	0.6
175.11140	1.6
179.14189	0.5
184.07347	0.8
193.12297	1.5
207.70229	0.4
211.13295	0.7
243.08224	3.2
247.16103	0.4
251.12497	0.6
298.81329	0.4
315.19232	5.9
346.81992	0.4
371.21964	0.5
469.20294	11.5
533.27295	5.1
552.32861	0.5
733.38116	0.5
761.40515	100.0
762.41260	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	761.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01850	0.7
55.05494	2.2
57.03421	2.5
61.02901	5.6
67.05484	4.4
69.03401	3.1
69.07043	3.6
71.01331	0.3
71.04982	0.5
73.02888	3.4
79.05476	3.6
80.17225	0.3
81.03391	4.5
81.07021	5.0
83.04979	1.3
83.08607	1.5
85.02882	5.8
86.09679	1.2
91.03931	2.8
91.05451	5.5
93.07006	3.8
95.01322	1.4
95.04942	2.0
95.08575	3.0
97.02842	3.7
97.06504	1.7
99.04384	0.4
101.02354	2.3
105.07005	4.6
107.04946	2.0
107.08567	1.7
109.02892	0.5
109.06534	0.7
109.10126	1.3
111.08017	0.4
117.06998	1.6
119.08525	3.7
121.10107	1.5
123.08105	0.5
123.12841	0.3
127.03889	1.5
128.75891	0.3
131.08527	2.1
133.10069	3.2
135.11649	0.8
145.10112	1.7
145.39380	0.3
147.11649	1.7
149.09564	1.1
157.10074	0.4
159.11713	0.4
163.11179	0.6
177.12718	0.5
179.14282	0.7
184.07352	1.4
193.12273	1.5
235.60010	0.3
243.08392	2.7
251.12505	0.6
275.20087	1.5
315.19174	4.5
371.22089	1.5
469.20337	7.5
533.26971	10.7
538.53125	0.4
572.47314	0.5
761.40515	100.0
762.41302	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	761.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
57.03418	4.0
57.67257	0.8
59.04984	1.3
61.02900	6.9
65.29951	0.7
66.28337	0.7
67.05490	4.6
69.03415	3.9
69.07045	1.2
71.01318	0.9
71.04979	1.8
73.02891	4.2
79.05468	5.3
81.03378	8.7
81.07030	5.3
83.08586	1.3
85.02866	8.5
87.04428	1.0
91.03944	3.8
91.05472	5.7
93.06997	6.6
95.04942	3.8
95.08600	4.0
97.02860	5.1
99.58809	0.9
101.02376	1.4
105.07011	4.8
107.08574	1.8
109.02822	1.0
109.06514	1.3
111.08113	1.2
119.08559	3.5
121.10136	4.4
123.17640	0.8
127.03893	1.6
129.06993	1.3
131.08531	2.0
133.10051	3.2
137.06003	2.0
147.11684	1.8
149.09586	3.8
157.10022	2.3
160.02663	0.8
165.12706	1.2
167.06947	1.5
175.11250	1.2
177.05376	1.0
193.12224	3.2
225.14725	0.9
243.08264	1.3
267.15814	1.7
277.67148	0.9
283.15079	8.6
287.05508	1.9
339.17874	1.3
373.66769	0.9
454.27417	0.9
501.22931	34.7
761.39050	100.0
762.38916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01849	0.7
55.05499	2.0
55.76424	0.2
57.03419	2.9
57.10453	0.3
57.44670	0.3
61.02906	5.9
65.03899	0.3
67.05481	3.9
69.03397	3.1
69.07055	2.0
71.01305	0.4
71.04971	0.6
73.02892	4.5
73.46661	0.3
79.05466	5.6
81.03383	2.5
81.07027	4.3
83.01323	0.3
83.04976	1.3
83.08624	1.3
84.16460	0.3
85.02879	6.0
91.03924	3.6
91.05433	4.5
92.62183	0.4
93.07007	6.3
95.04942	0.5
95.08575	2.1
96.46649	0.3
97.02861	6.1
97.06506	0.3
99.04424	1.7
101.02373	1.3
105.06996	4.0
107.08588	2.2
109.02810	1.2
109.06535	0.3
109.10123	0.6
117.07000	1.2
119.08532	2.7
121.10116	1.7
123.08041	0.6
127.03880	1.9
129.07004	0.4
131.08511	0.5
133.10088	1.9
135.08073	0.4
135.11667	1.5
145.04953	0.5
145.10057	2.3
147.11664	1.3
151.11165	0.3
159.11693	0.3
161.13313	0.5
163.11194	2.4
171.11772	0.3
184.07358	0.6
185.04378	1.1
204.13510	0.4
233.26123	0.3
243.08310	3.5
259.20447	0.4
274.32852	0.3
301.08929	1.2
313.68454	0.4
315.10239	0.4
339.23499	0.4
373.11066	0.5
465.20590	0.6
467.18658	9.1
467.24533	0.6
535.28784	4.8
539.21552	0.4
622.31018	0.4
663.33063	0.6
761.40503	100.0
762.40778	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	761.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.5
57.03422	1.4
57.26446	1.2
62.11697	1.4
67.05479	8.2
69.07030	2.5
79.05460	6.0
81.03384	3.6
81.07024	6.8
83.08636	1.7
85.02872	2.1
86.09680	6.9
91.05463	7.1
93.07005	7.3
95.08579	3.0
105.06973	2.3
107.08577	3.0
115.09875	1.7
121.10131	2.4
124.99957	3.1
131.08517	1.5
157.50728	1.5
176.84572	1.6
184.07330	7.4
219.99315	2.2
233.46025	1.5
546.38342	2.4
571.46875	3.5
572.47394	2.0
629.97717	1.6
761.38562	100.0
762.39233	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.4
57.07063	0.9
57.83470	0.6
67.05482	1.1
69.07056	1.0
71.07361	0.9
72.14236	0.6
73.10246	0.6
79.05476	1.1
81.07024	3.5
86.09682	7.0
93.06979	1.7
95.08569	1.7
97.10172	0.7
146.98131	1.2
184.07304	1.0
218.53004	0.7
220.75272	0.8
224.47137	0.9
483.16138	1.0
571.47137	1.2
577.40668	3.6
578.40393	1.1
701.39813	4.0
702.39734	4.7
735.94153	0.8
760.46631	3.2
761.38275	100.0
762.38452	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	761.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
67.05488	2.9
67.08739	0.4
69.07014	0.7
77.86282	0.5
79.05450	2.2
81.03362	0.8
81.07025	2.8
86.09692	0.8
90.88009	0.5
91.05442	1.0
92.40787	0.6
93.07012	2.3
95.08583	1.3
105.07028	0.7
106.94137	0.5
107.08570	0.6
107.38396	0.5
129.36598	0.6
184.07263	1.1
202.64961	0.6
202.77245	0.6
202.79121	0.6
221.77539	0.6
295.12900	0.7
353.82004	0.7
495.72751	0.6
507.50540	0.6
571.47101	0.7
572.47363	1.0
761.38379	100.0
762.38062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.9
57.07056	51.0
60.71738	2.6
67.05489	3.9
69.07055	4.1
71.08606	39.5
73.06547	7.4
81.07053	4.0
83.08601	5.5
85.10171	18.5
86.09681	4.0
87.04454	12.8
89.05998	100.0
95.08599	3.6
107.07036	3.3
117.09136	11.3
119.08567	3.3
133.08566	31.9
177.11191	13.8
184.07314	11.9
285.27731	5.3
329.30365	3.7
571.46954	22.4
743.54272	4.6
760.57739	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	760.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.01852	5.1
55.05244	1.1
55.05498	24.0
57.03146	1.3
57.03417	23.5
57.07050	1.7
60.08143	8.3
60.21524	0.8
61.02889	1.5
65.03912	1.8
67.05480	67.3
68.05827	0.9
69.03402	4.2
69.07046	18.5
71.04974	1.6
71.07355	2.1
73.36652	0.9
77.54922	0.9
79.04999	2.1
79.05457	51.3
81.03387	90.4
81.07027	68.0
83.04942	8.3
83.08595	20.4
85.02879	4.5
85.06496	1.7
86.09676	44.5
91.05443	39.2
93.07009	52.6
95.04932	28.0
95.08569	48.8
95.09035	1.0
97.02840	1.5
97.06491	6.3
97.10131	8.4
98.98408	2.1
99.08068	1.6
104.10704	1.4
105.06997	32.1
107.04931	7.9
107.08562	28.8
109.06483	4.6
109.10141	20.1
111.04407	1.2
111.08035	5.6
115.05428	1.5
117.07011	7.3
119.08541	24.7
121.06462	4.6
121.09277	1.6
121.10098	25.6
123.04408	1.4
123.08018	2.4
123.11635	5.3
124.99962	29.5
125.09579	5.0
128.63800	1.1
129.06960	13.9
131.08522	23.5
133.06427	1.7
133.10098	17.9
135.07977	1.0
135.11636	15.5
137.09619	1.9
137.13203	1.3
139.11176	1.0
142.07671	2.1
145.10056	14.0
147.08023	3.8
147.11652	12.0
149.05901	1.4
149.09575	6.4
149.13188	7.7
155.08653	1.1
157.10086	9.6
159.11649	6.0
161.13206	6.2
163.11192	2.1
163.14781	4.2
165.12604	3.3
171.11627	2.4
173.13232	4.9
175.11145	9.5
175.14629	1.1
184.07275	100.0
187.14803	2.0
189.11125	1.2
193.12170	16.6
199.86081	1.0
227.12671	1.7
243.20988	4.3
249.14772	1.1
261.21942	12.7
267.15802	58.8
301.25137	1.8
309.16873	1.8
317.24588	1.7
335.25671	56.7
362.35547	1.1
417.26358	1.4
435.32208	4.0
453.33255	4.6
471.34418	3.7
502.89487	1.2
509.35901	1.2
527.37164	46.1
545.38177	39.5
545.46545	1.3
563.38458	2.3
569.37646	1.5
592.95850	1.3
710.43958	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	760.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.6
53.45174	0.7
54.17091	0.6
54.81037	0.6
55.01852	3.4
55.05243	1.0
55.05493	19.5
57.03148	1.1
57.03418	22.2
57.07044	1.4
60.08147	7.5
61.02906	1.6
65.03910	3.4
67.05480	61.5
69.03381	3.2
69.07045	16.3
70.17559	0.6
71.04965	3.9
71.07330	4.1
71.82713	0.6
76.55002	0.7
79.05457	45.3
79.05916	1.6
80.05766	1.3
81.03381	80.1
81.07023	59.3
83.04929	5.7
83.08582	19.5
85.02860	1.1
85.06516	1.7
86.09673	43.6
86.70238	0.7
91.04894	1.5
91.05442	35.0
93.07005	45.6
95.04928	25.0
95.08567	43.2
97.02857	3.3
97.06493	4.1
97.10126	5.0
98.98431	4.6
104.10703	1.7
105.06992	27.1
107.04913	7.6
107.08560	25.6
107.43765	0.7
109.06456	5.6
109.10123	15.4
111.04426	1.2
111.08092	5.7
114.35593	0.8
117.06974	7.1
119.04912	1.0
119.08533	23.3
121.06497	1.3
121.10101	19.0
121.91227	0.8
123.08020	3.0
123.11675	3.8
124.99951	29.6
125.09590	1.8
128.06169	0.9
129.06967	12.3
131.08505	17.3
133.06432	3.1
133.10072	14.6
135.08070	1.3
135.11650	10.5
137.09595	3.7
137.13196	1.1
142.07744	1.4
143.08505	1.5
145.10081	9.1
147.08015	3.4
147.11635	12.2
149.09564	3.7
149.13165	6.6
151.11105	1.3
157.10078	8.0
159.11603	6.5
161.13205	4.8
163.14745	1.9
165.12695	1.5
171.11554	2.9
173.13116	5.7
175.11121	5.7
175.14633	1.0
179.36284	0.7
184.07269	100.0
187.14738	1.1
189.11179	1.4
193.12164	16.2
197.13179	0.8
227.05617	0.8
227.12646	4.3
243.20940	3.5
260.27478	0.8
261.22043	9.2
264.04434	0.9
267.15787	48.0
285.16846	1.1
301.25098	3.0
317.24619	0.9
335.25671	44.0
336.26114	1.0
435.32352	3.5
453.33243	4.3
471.34555	3.3
476.30322	0.8
527.37122	38.9
527.45166	1.4
545.38159	34.8
569.38232	1.7
571.47028	1.2
710.43542	9.0
760.42023	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	760.438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
56.51937	0.5
60.08141	9.3
67.05475	2.6
67.39228	0.5
69.03413	0.5
69.07035	0.6
69.80992	0.6
71.07344	4.8
77.05045	0.5
79.05453	1.1
81.07018	2.5
82.33565	0.6
83.04958	0.5
83.08604	0.7
86.09674	49.0
91.05453	2.7
93.07001	1.2
95.04924	0.6
95.08569	0.8
95.44574	0.6
98.63174	0.6
98.98441	3.4
104.10719	3.2
105.07008	0.7
107.08551	2.2
111.15733	0.6
117.06987	0.5
119.08531	0.8
121.10080	0.9
124.99957	35.7
125.09624	0.6
131.08510	0.7
133.10130	0.9
143.01074	0.6
184.07274	100.0
189.16299	0.6
216.46619	0.7
260.74561	0.6
319.50269	0.6
362.83490	0.6
483.73236	0.6
524.95123	0.7
545.31549	0.6
550.11060	0.7
571.46729	0.9
656.60114	0.7
660.34607	1.0
713.39716	0.7
727.57422	0.7
742.42285	1.0
760.43579	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	760.475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80769	0.8
55.01869	0.7
55.05494	8.0
57.03418	2.6
57.86516	0.5
60.08142	7.9
64.14051	0.6
65.18213	0.6
67.05479	9.1
68.05814	0.7
69.07036	3.8
69.24944	0.6
71.07333	4.5
72.54970	0.6
73.95519	0.7
79.05456	8.4
81.03384	4.2
81.07032	10.1
83.04974	1.5
83.08595	2.6
84.10181	0.6
85.02902	0.7
86.09676	49.7
86.10203	1.6
91.05450	5.6
92.05804	0.9
93.07012	7.1
94.07363	1.0
95.04975	1.0
95.08586	7.1
97.02834	0.7
97.10106	1.2
98.98421	4.9
104.10706	4.2
105.06989	4.2
107.04945	1.3
107.07951	0.7
107.08554	5.7
108.08893	0.9
109.10147	1.6
119.08553	2.8
121.10117	3.0
121.22054	0.7
122.97176	0.7
124.99964	34.8
131.08527	1.7
133.10039	1.1
135.11615	1.6
143.01006	0.8
145.10091	2.7
184.07283	100.0
267.15891	0.8
335.25626	3.2
437.11176	0.8
444.91794	0.7
495.24658	0.8
545.38025	4.0
571.47040	7.7
760.47418	10.4
787.85974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80794	0.4
55.05475	0.5
56.05012	0.5
60.07871	0.6
60.08142	9.4
67.05475	1.5
69.07025	1.6
71.07358	4.5
74.02140	0.3
79.05457	1.4
81.03372	0.4
81.07018	1.7
86.09674	46.1
91.05430	0.9
93.06994	1.6
98.98440	2.9
104.10693	1.9
105.07006	0.5
107.04919	0.6
107.08537	0.6
109.06460	0.4
109.10136	0.4
117.07037	0.5
124.99957	32.4
131.08493	0.5
133.10094	0.9
147.73914	0.4
151.11063	0.4
184.07275	100.0
513.32123	0.6
571.46942	0.8
660.34564	0.9
742.41223	0.7
760.43646	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	759.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
55.05499	10.8
57.03416	3.1
57.07055	2.4
61.02903	9.5
67.05480	28.5
69.03400	3.5
69.07047	7.3
71.04959	2.5
73.02892	3.8
79.05464	11.4
81.03374	2.1
81.07034	16.9
83.04931	3.0
83.08595	3.8
85.02886	7.5
86.09689	5.9
87.16984	1.5
90.95206	1.6
91.01930	1.4
91.03916	3.3
91.05455	9.0
93.07018	15.7
95.04923	2.3
95.08562	12.3
97.02871	8.4
97.10122	2.5
101.02338	2.4
105.07000	3.5
107.08583	8.2
109.10094	11.1
119.08537	6.5
121.10105	6.3
124.99965	2.3
127.03889	1.9
131.08559	3.0
133.10086	2.1
145.10034	2.5
163.15942	1.8
173.13223	1.9
184.07350	6.9
243.08408	2.4
335.26071	2.9
371.35614	1.9
413.17902	2.2
465.35382	1.9
466.35562	2.0
472.85339	1.7
481.20468	3.3
519.29407	2.9
576.38892	2.0
669.41382	13.5
700.37646	2.2
759.42657	100.0
782.74756	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.8
57.03385	1.5
61.64764	1.6
67.05482	3.1
74.79373	1.6
75.88808	1.4
76.55766	1.5
78.15268	1.4
79.05460	1.9
81.07015	3.0
86.09664	3.6
91.05425	2.0
92.08636	2.5
95.08564	2.0
107.08551	2.0
124.99976	3.4
126.73465	1.5
145.81619	1.6
184.07230	14.6
189.04697	1.4
191.01314	1.7
256.47049	1.4
277.57129	1.4
380.20685	1.6
759.40326	100.0
760.41516	1.8
776.37305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3905
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
55.01848	1.0
55.05496	3.7
55.83496	0.5
57.03415	2.5
57.07048	0.5
60.08139	0.7
60.61033	0.4
61.02906	5.7
64.05221	0.5
67.05489	4.1
69.03419	3.6
69.07047	3.4
71.01323	0.6
73.02893	4.0
73.81240	0.4
79.05470	5.3
81.03393	3.0
81.07045	3.7
83.01339	0.6
83.04967	1.8
83.08595	2.0
85.02876	6.4
86.09680	2.3
91.03931	2.9
91.05433	4.6
93.07005	4.9
95.04940	1.2
95.08575	2.7
97.02864	5.5
97.06499	0.5
99.04397	0.6
100.59151	0.6
101.02336	1.2
105.07002	5.2
107.04931	1.7
107.08573	2.1
108.82328	0.5
109.02863	1.0
109.06495	0.5
117.07001	1.0
119.08552	2.0
121.10123	0.9
123.08012	0.9
124.99980	0.5
127.03856	0.8
131.08530	1.0
133.10114	2.0
135.11638	0.8
145.10091	2.7
147.11665	0.5
153.12721	0.5
157.89441	0.5
163.11133	2.6
178.06282	0.4
184.07294	3.2
217.29784	0.5
222.22884	0.4
243.08377	3.3
275.20016	0.6
315.19226	5.7
371.21985	0.8
458.51187	0.6
467.18695	14.2
529.02161	0.6
533.27020	5.7
718.26459	0.6
759.38977	100.0
760.39148	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	758.503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.8
53.03914	1.1
54.82603	0.5
55.01857	0.6
55.05245	0.9
55.05492	16.3
57.03413	7.7
57.07045	3.0
59.04972	0.5
61.02899	4.4
61.60223	0.5
65.03907	1.3
65.40913	0.5
67.05478	65.9
69.03406	2.1
69.07037	12.5
71.04962	22.0
73.02863	0.8
79.05455	37.2
79.95146	0.5
81.03382	1.2
81.07022	100.0
82.07333	0.6
83.04937	3.8
83.08585	9.4
85.02867	3.9
85.06512	8.3
88.44407	0.5
91.03915	0.6
91.05436	26.4
92.09318	1.1
93.07001	42.0
95.04906	4.5
95.08565	30.9
97.02827	1.3
97.06486	4.6
97.10115	2.7
99.08017	0.8
105.06996	20.1
105.16391	0.5
107.08558	23.2
109.06454	1.3
109.10129	13.0
111.08036	2.4
117.06955	5.3
119.08537	9.3
121.10091	16.6
123.07990	0.7
123.11663	13.7
125.09581	0.7
129.06981	0.7
131.08508	12.0
133.10081	19.5
135.11636	8.4
143.08580	0.6
145.10042	4.4
147.11607	3.5
149.13190	6.4
151.11105	5.7
157.10104	1.1
159.11636	6.6
161.13177	2.4
169.10019	0.9
171.11642	1.1
173.13216	3.0
175.14775	1.3
177.12650	1.0
183.13701	1.2
186.38852	0.5
187.13249	4.5
187.14761	1.3
206.24757	0.7
227.16292	0.9
243.15543	0.6
257.17343	2.7
261.21985	1.2
269.17352	3.8
301.19940	15.3
330.46680	0.6
335.25665	14.5
406.93427	0.6
407.75400	0.6
411.32635	0.7
446.62442	0.5
452.37280	0.6
485.35931	3.8
503.37122	62.0
504.37643	0.7
517.38550	1.1
529.38617	15.5
547.39496	1.2
561.41278	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	758.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
55.01851	14.6
55.05242	1.5
55.05494	36.1
57.03150	1.1
57.03416	27.2
57.07049	4.3
59.04963	1.4
61.02903	8.2
63.76443	0.9
65.03903	4.1
67.05479	96.9
69.03394	5.8
69.07040	29.5
71.01313	3.7
71.04935	6.4
73.02889	1.6
79.05456	83.0
81.03379	22.1
81.07020	88.3
83.01308	4.3
83.04949	21.7
83.08592	17.1
85.02864	13.7
85.06529	1.6
85.29452	0.9
85.60423	0.8
86.09663	2.2
90.72045	1.0
91.05438	45.1
93.07001	100.0
95.04916	16.2
95.08564	68.1
96.32744	0.9
97.02850	14.1
97.06499	12.7
97.10117	5.1
99.04409	4.1
103.05442	0.9
105.06982	29.4
107.04916	15.4
107.08553	50.9
109.02844	0.9
109.06502	7.6
109.10113	24.0
111.04395	14.2
111.08010	6.4
111.11651	0.9
117.06983	20.7
119.08528	28.6
121.06454	5.5
121.10095	46.4
123.08019	9.6
123.11666	6.3
124.99983	3.5
125.05962	3.8
125.09597	4.2
125.69757	0.8
128.06200	1.1
129.06960	6.1
130.07726	1.8
131.08522	26.3
133.10086	15.9
135.08034	4.1
135.11635	35.0
137.09572	3.5
137.13165	1.5
139.07481	1.2
139.11122	3.7
143.08517	3.7
145.10077	35.3
147.08006	5.1
147.11646	8.7
149.09537	4.9
149.13179	6.7
151.11105	1.5
153.12698	16.1
155.08478	4.6
157.10063	1.0
159.11623	7.8
161.13197	5.3
163.11107	41.8
163.14798	1.8
165.12740	1.3
171.11682	1.2
173.09538	10.0
173.13118	7.0
176.57591	0.9
176.94250	1.0
177.12717	1.1
177.16258	1.1
181.12183	7.4
183.11636	1.0
184.07304	8.2
187.14659	1.9
191.10518	7.6
209.11636	22.2
227.12666	12.4
243.20935	3.7
245.13716	6.6
259.20386	1.1
261.22015	14.0
265.14166	4.3
283.15265	32.9
299.23587	1.1
301.16339	51.9
315.06815	1.0
317.24631	2.1
333.24185	1.1
335.25662	89.6
336.26047	1.5
360.67194	1.0
423.31973	1.2
429.11447	1.1
433.30780	1.1
451.32089	3.8
460.46588	1.1
466.20554	1.0
469.32590	2.2
493.89941	1.0
519.11554	1.0
525.35736	6.2
543.28082	1.7
543.36554	54.0
555.96130	1.1
561.37640	76.5
562.37982	4.1
587.69135	1.0
629.64435	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.7
55.01854	4.4
55.05497	39.3
57.03416	17.7
57.07049	2.5
59.04997	2.0
61.02893	3.2
65.03915	2.0
67.05147	3.2
67.05482	54.2
69.03397	7.7
69.07039	13.3
71.04954	10.6
79.05465	70.7
81.03383	48.0
81.06552	2.8
81.07027	73.8
83.04961	17.7
83.08585	23.9
85.02876	30.1
86.09672	9.5
91.05447	89.9
93.07011	74.4
95.04936	32.8
95.08126	2.1
95.08579	38.5
97.02871	3.9
97.06468	4.9
97.10119	2.5
99.08035	2.4
105.06996	100.0
107.04924	8.6
107.08547	37.7
109.06493	8.3
109.10137	11.0
111.08051	9.2
117.06980	21.8
119.08538	75.2
121.10107	31.0
123.08027	4.8
123.11668	4.9
124.99944	3.3
125.09612	3.0
125.87289	2.1
128.06175	3.0
129.06960	20.8
131.08528	37.3
133.06439	3.8
133.10081	56.0
135.11626	15.7
137.09575	3.3
141.85141	2.0
142.07724	4.9
143.08539	11.4
145.10086	23.7
147.11630	48.3
149.09584	8.4
149.13203	11.0
155.08539	3.2
157.10097	22.5
159.11696	18.4
161.13182	23.3
163.11131	4.1
163.14693	2.0
169.10138	2.8
171.11609	15.4
173.13203	11.4
175.11139	11.2
175.14763	10.4
177.12717	2.1
183.11696	3.2
183.80862	1.8
184.07263	18.6
185.13216	9.6
187.14859	2.5
187.27179	2.2
193.12151	24.1
197.13145	2.0
199.14813	5.2
209.13374	2.4
211.13203	29.2
213.16481	2.0
217.55182	2.6
229.14207	2.6
231.17377	2.4
231.20930	4.3
241.19426	20.4
257.29828	2.6
259.20471	60.1
267.15817	13.5
280.57443	2.1
285.16879	37.0
294.69250	2.1
315.23111	4.1
316.20654	2.2
328.27570	2.8
333.04071	2.5
333.24176	42.7
433.30655	3.6
451.31894	7.9
469.32553	3.8
483.86557	2.3
515.37207	3.1
525.35822	23.8
543.36560	69.7
544.36176	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	758.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.2
55.01852	8.2
55.05496	28.8
57.03417	26.7
57.07051	1.5
59.31531	1.3
61.02896	8.6
65.03915	1.6
67.05481	100.0
69.03397	6.7
69.07045	26.4
71.04962	8.1
72.65768	1.3
73.02898	2.0
79.05460	77.9
81.03383	10.2
81.07024	72.3
81.07493	3.0
83.01343	1.6
83.04951	17.8
83.08597	15.1
85.02861	11.3
85.06525	6.4
86.09668	6.5
91.03919	1.6
91.05440	49.4
93.07004	78.6
94.07398	1.6
95.04936	18.3
95.08577	55.5
97.02863	11.8
97.06496	9.4
97.10146	2.6
99.04459	2.5
99.90875	1.4
105.06995	39.1
107.04926	14.5
107.08561	44.6
109.06502	8.2
109.10135	23.6
111.04399	13.8
111.08030	3.5
115.05398	1.6
117.06967	22.2
117.17879	1.4
119.08538	28.8
121.06470	6.8
121.10103	31.9
123.04352	1.9
123.08027	7.1
123.11652	8.0
124.56060	1.6
125.05896	2.2
125.09605	2.3
129.06976	9.9
130.07800	1.6
131.08521	27.6
133.10059	21.7
135.07980	5.9
135.11646	25.4
137.09561	5.6
143.08522	9.3
145.06459	1.8
145.10068	29.0
147.08061	2.7
147.11650	9.0
149.09537	11.6
149.13214	7.0
151.11160	1.8
155.08511	3.0
157.10060	2.9
159.08026	2.5
159.11626	11.8
161.09578	2.0
161.13199	7.2
163.11118	18.0
163.14830	3.1
169.10117	3.0
171.11617	2.3
173.09576	9.5
173.11798	1.5
173.13184	8.4
175.11194	2.2
175.14709	1.5
180.51430	1.3
183.11700	2.1
184.07294	7.3
185.13252	3.1
187.14751	2.8
191.10654	3.0
200.68385	1.5
209.11655	19.2
227.12706	1.9
235.54005	1.6
243.20953	3.2
249.11865	1.6
255.15846	2.1
260.65884	1.6
261.22104	8.9
271.20386	1.9
273.21982	1.5
283.15295	55.5
285.16986	2.5
301.16299	6.4
315.23068	2.2
333.24164	2.7
335.25647	50.8
394.09094	1.5
451.31821	10.4
469.32941	6.3
487.33777	5.3
525.35535	18.2
543.36615	77.3
545.12573	1.9
561.37592	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.2
53.03920	2.6
55.01855	11.3
55.03759	0.8
55.05239	1.9
55.05495	37.8
55.39281	0.8
57.03155	1.0
57.03422	27.2
57.07048	2.3
61.02907	8.6
65.03909	2.5
67.05482	100.0
69.03389	2.2
69.07043	28.8
71.01321	1.6
71.04965	5.9
73.02882	1.4
73.83408	1.0
74.12270	1.0
76.55769	0.9
78.40627	1.1
79.05463	81.7
81.03385	19.2
81.07026	89.3
81.64703	0.9
82.07366	1.1
83.01310	4.3
83.04948	26.2
83.08589	19.0
85.02882	13.5
85.06518	3.7
91.03917	1.3
91.05442	47.8
93.07006	90.8
94.07320	1.5
95.04933	19.8
95.08570	62.2
97.02860	13.8
97.06480	12.8
97.10130	6.4
99.04427	2.3
99.08083	1.8
105.04470	1.4
105.06295	1.4
105.06995	35.5
107.04921	16.9
107.08559	47.9
109.06488	5.1
109.10111	29.3
111.04400	13.3
111.08047	5.2
113.05965	1.2
117.06989	19.9
118.01585	1.0
119.08543	27.3
121.06487	7.5
121.10103	34.9
123.08012	8.2
123.11676	6.7
125.05962	1.6
125.09592	1.8
127.03886	1.3
129.06956	5.3
130.07747	1.4
131.04845	1.1
131.08522	22.1
133.06496	1.3
133.10068	19.8
135.08029	6.3
135.11647	32.8
137.09549	5.1
137.13266	1.4
137.26740	1.2
139.07530	1.5
143.08514	4.6
145.06404	1.9
145.10068	31.9
147.07999	4.9
147.11626	8.6
149.09602	4.9
149.13202	5.4
151.11143	2.4
153.12761	10.9
155.08487	3.9
157.10112	1.9
159.11583	7.5
161.09616	1.6
161.13194	4.2
163.11121	27.4
163.14772	2.0
169.10075	1.1
171.11603	4.1
173.09537	7.2
173.13129	8.3
175.14769	2.1
181.12195	5.8
183.11632	1.2
184.07292	5.8
187.14742	1.8
191.08969	0.9
191.10564	10.9
209.11638	28.2
227.12665	10.3
243.17285	1.4
243.20926	2.5
261.22028	13.4
265.14197	1.3
273.22012	3.8
283.15298	45.7
285.17123	1.3
299.14868	1.4
299.23395	1.5
301.16333	32.7
317.24637	1.5
335.25684	73.1
336.25940	2.4
375.36954	1.0
379.93378	1.0
433.30823	4.7
451.31732	6.1
469.32831	6.7
515.37476	1.7
525.35583	14.1
543.36597	81.0
544.36566	2.1
561.37653	29.8
741.73846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01860	4.3
55.05500	27.9
57.03151	1.0
57.03421	18.8
57.07061	2.1
59.04994	1.2
60.18179	0.8
61.02901	4.7
65.03922	0.9
67.05482	55.3
67.87378	0.8
69.03394	3.9
69.07044	23.2
69.07413	0.9
69.43023	0.7
71.04971	6.6
75.03826	1.0
79.05461	46.8
79.75932	0.8
81.03388	18.7
81.07027	100.0
83.04966	12.3
83.08590	15.2
85.02865	11.6
85.06510	7.6
86.09670	1.8
91.05444	59.7
93.07010	57.5
95.04939	13.3
95.08568	39.7
97.02869	4.8
97.06493	8.5
97.10136	4.0
99.08055	4.9
103.05429	1.5
105.04514	1.4
105.06998	81.7
107.04939	3.3
107.08561	38.3
109.06493	10.2
109.10137	10.0
111.04385	1.5
111.08067	4.2
117.06973	12.6
117.17451	1.2
119.08540	64.4
121.06503	1.0
121.10090	35.2
123.08056	7.0
123.11665	26.0
124.99960	1.4
125.09588	2.0
127.07523	2.0
129.06944	11.0
131.08531	19.1
133.10089	33.6
135.11644	14.6
137.09589	1.8
137.13188	1.8
141.09059	1.1
142.07747	1.2
143.08548	5.2
145.10080	14.0
147.11647	73.2
149.09569	6.2
149.13220	5.4
155.08539	0.9
157.10080	10.4
159.11621	11.7
161.13214	15.9
163.11110	1.7
163.14786	1.4
165.12715	17.9
171.11617	8.5
173.13222	6.2
175.11095	3.6
175.14783	5.9
176.09618	0.8
177.12727	1.3
179.14249	3.2
183.13721	1.8
184.07285	8.6
185.13232	6.9
187.14845	1.4
193.12184	9.4
199.14801	3.5
211.13281	10.0
213.16302	1.2
216.55214	1.1
229.14221	1.8
231.21028	3.5
241.19382	11.5
259.20483	38.1
267.15820	23.4
277.21588	9.6
285.16876	56.5
315.23193	1.7
333.24121	38.3
351.25171	16.5
387.96805	0.9
451.32053	1.5
463.30984	1.4
469.32935	1.3
525.35376	5.0
543.36639	27.2
561.37677	38.3
759.38531	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.3
53.01982	0.3
53.03922	0.8
55.01851	1.5
55.05492	2.6
57.03421	3.0
57.07074	0.4
58.72650	0.3
61.02902	5.5
65.03893	0.3
67.05480	7.0
69.03398	3.3
69.07041	4.5
71.01330	0.3
71.04961	0.7
73.02884	4.0
77.49287	0.3
79.05463	9.1
79.05912	0.5
81.03374	3.3
81.07022	8.7
83.04952	1.9
83.08577	0.7
85.02865	4.5
86.09702	1.3
91.03930	2.6
91.05434	8.6
93.07002	7.4
95.01294	0.6
95.04935	2.5
95.08566	4.9
97.02848	4.6
97.06493	0.8
99.04420	0.5
101.02344	1.9
102.83651	0.3
103.05421	0.3
105.07000	7.6
107.04950	1.3
107.08555	2.9
109.06442	0.7
109.10122	2.0
117.07009	1.3
119.08540	4.1
121.10114	0.6
123.08035	0.7
124.99972	1.3
127.03851	0.6
128.44652	0.3
129.06973	1.4
131.08525	1.9
133.10078	4.1
135.11630	1.4
143.08531	1.4
145.10051	3.0
147.11661	2.9
149.09587	0.8
151.11229	0.4
159.11700	0.3
161.13269	0.7
171.11653	0.6
179.14188	0.4
184.07243	3.1
185.04198	0.5
243.08357	3.4
247.13054	1.6
275.20096	0.7
299.14905	1.4
303.15524	0.7
315.19153	4.6
335.25818	1.3
371.21744	1.5
465.20847	11.3
533.26971	9.6
757.41034	100.0
758.41724	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	757.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80936	0.4
55.05495	2.0
57.03417	3.0
57.07062	4.1
57.31030	0.4
59.04986	0.7
61.02904	5.8
65.93982	0.4
67.05479	3.1
69.03410	2.5
69.07032	3.0
71.01323	0.4
71.04959	0.8
71.08602	2.4
73.00510	0.5
73.02884	4.5
76.63960	0.4
79.05472	2.3
81.03372	3.6
81.07013	5.2
83.08590	2.8
83.72864	0.4
85.02859	5.1
85.10161	0.6
91.03922	2.6
91.05450	3.0
93.07039	2.0
95.04928	0.9
95.08557	3.8
97.02834	5.0
97.06479	0.8
99.04449	0.7
101.02348	1.0
105.07011	2.3
107.08561	1.0
109.02851	0.9
109.10143	2.0
113.28908	0.5
114.35745	0.4
115.09016	0.4
119.08567	2.2
121.10136	1.7
127.03905	1.0
129.06952	0.7
131.08521	1.8
133.10101	0.6
147.11684	0.9
149.09547	1.0
157.10109	0.6
184.07321	0.5
193.12247	0.8
221.34752	0.6
225.14928	0.6
243.08394	2.2
267.15976	0.8
283.15082	5.4
313.27252	0.7
339.17496	0.7
483.21872	0.5
497.30615	7.5
501.22855	15.1
511.49890	0.5
585.44940	0.8
650.87714	0.5
757.46735	100.0
758.47394	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	756.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
56.05005	0.5
57.07042	0.4
58.06570	0.4
60.08142	9.8
62.69339	0.2
70.12606	0.2
71.07343	5.7
81.07011	0.6
86.09675	51.9
95.08530	0.3
98.98424	3.8
104.10710	2.7
124.99954	36.3
143.00966	1.3
184.07272	100.0
303.31543	0.3
756.55316	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	757.2167
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.2
55.05486	0.5
57.03415	2.5
59.04967	0.1
61.02903	1.5
65.03902	0.1
66.03866	0.1
67.03733	0.1
68.99759	0.3
69.03394	0.7
70.35436	0.1
71.01324	0.5
71.04962	13.0
73.02882	1.4
75.04432	0.8
81.03378	0.2
83.04951	3.2
85.02872	16.0
86.00212	0.1
87.04418	0.3
89.86972	0.1
91.03918	0.6
91.05464	0.2
95.04919	0.7
97.02843	1.0
99.04415	0.5
109.02832	0.6
111.00774	0.7
111.04390	1.9
117.05411	0.2
121.02825	1.2
123.04393	0.5
127.03873	1.0
129.05415	2.8
131.04805	0.1
132.96498	0.1
135.04358	0.2
137.02292	3.2
139.03822	0.2
145.02814	0.1
145.04855	0.2
147.04382	0.2
147.06482	1.3
149.02289	0.5
151.03893	0.1
153.01762	3.4
153.05418	0.3
157.00783	0.1
161.05977	0.2
163.03835	0.8
163.05959	0.5
165.01784	1.8
171.06502	0.2
173.05893	0.2
183.02779	0.7
183.04245	0.2
187.03938	0.2
201.05324	1.5
219.06389	0.2
229.04872	4.1
239.09064	0.6
247.05951	0.7
257.04321	2.9
257.10138	0.2
274.04590	0.6
275.05341	0.2
275.11292	0.3
285.03809	1.4
287.05313	0.2
303.04868	100.0
304.05344	1.5
345.05692	0.3
449.10718	0.3
465.10037	1.6
645.45618	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	36.4
57.03418	10.9
58.40136	8.6
61.02906	13.4
67.05476	48.5
68.93986	6.9
69.03372	9.3
69.07041	28.4
73.02912	7.6
74.80210	6.3
79.05456	31.7
79.49793	7.3
81.03401	15.1
81.07018	98.4
83.08593	14.4
85.02875	7.4
86.09673	54.4
87.09784	6.9
91.05463	43.6
93.07014	45.8
95.08597	30.5
95.49303	6.8
97.02845	12.6
105.07011	18.1
107.08553	16.3
109.10116	8.8
119.08522	16.5
121.10094	10.8
123.07966	8.0
123.11741	13.9
124.99963	37.7
131.08546	9.5
135.11682	9.2
147.11656	34.8
164.02092	8.0
165.12669	16.6
179.80867	8.9
184.07260	92.9
189.03246	6.7
194.96085	6.9
246.95032	8.1
252.28259	8.5
261.21948	12.1
267.15829	45.0
285.16879	70.1
335.25641	62.9
503.36813	9.3
545.38129	46.8
563.77698	7.7
690.22913	8.6
755.45325	41.8
756.45386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.6
56.05004	0.6
56.17174	0.2
57.07042	0.3
58.06547	0.3
60.08140	9.3
67.05470	1.3
69.07024	0.4
71.07341	5.1
76.94839	0.2
78.77929	0.2
79.05459	1.2
81.07012	1.6
83.08601	0.4
86.09676	48.4
91.05468	0.5
93.07016	1.2
95.08561	1.3
98.05969	0.4
98.98424	4.2
99.22372	0.2
104.10696	2.3
105.07016	0.5
107.08531	0.3
109.10154	0.3
124.99960	35.2
126.19588	0.2
133.10120	0.3
135.11716	0.3
143.00952	0.4
184.07278	100.0
306.27780	1.8
398.59470	0.3
597.48676	2.1
756.55212	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	25.1
57.03410	15.3
67.05484	64.4
69.03391	4.1
69.07040	9.8
70.08707	3.4
79.05457	49.7
81.03391	39.0
81.07027	58.9
83.04969	17.7
83.08594	25.3
85.02876	16.2
86.09672	4.8
91.05453	42.9
93.07013	47.4
95.04939	22.5
95.08582	27.6
97.10109	5.3
105.06992	29.9
107.08572	19.4
109.10152	7.8
111.07995	5.8
112.13424	3.6
117.07017	6.5
119.08536	28.9
121.10095	21.2
123.11712	6.0
129.06947	9.1
131.08521	21.1
133.10083	22.8
135.11655	9.6
145.10037	4.8
147.11635	20.8
149.09595	5.7
149.13193	5.1
155.93900	4.3
157.10094	16.9
159.11565	5.7
175.11176	6.0
179.81993	3.7
193.12183	27.5
211.13202	36.2
267.15778	5.3
285.16766	45.8
299.14743	5.0
335.25699	100.0
404.20682	4.0
425.81503	4.9
462.31107	4.8
479.29913	5.7
527.36963	15.4
545.38177	86.8
756.46100	8.2
783.99976	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	756.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44551	4.7
55.05484	39.0
55.81801	5.1
57.03424	10.2
57.51043	6.0
67.05475	66.6
69.07025	9.6
79.05458	44.9
81.03374	53.7
81.07011	50.5
83.04908	12.9
83.08597	23.8
85.02892	23.4
86.09656	13.7
91.05450	56.1
93.06998	59.7
95.04927	30.3
95.08552	34.3
97.06492	8.9
101.09701	6.5
105.06973	28.9
107.04893	8.7
107.08552	25.7
109.10129	12.5
117.06965	6.0
119.08521	14.1
121.10078	13.7
124.99944	9.3
129.06947	12.2
131.08530	14.0
133.10037	6.2
147.11653	25.5
157.10081	9.7
175.11133	8.6
175.36089	5.3
184.07233	48.5
193.12233	28.5
211.13216	45.4
261.22119	11.2
267.15735	10.0
285.16867	84.6
335.25662	100.0
527.36993	8.3
545.38116	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	5.9
53.03917	5.5
55.01851	5.0
55.05248	1.9
55.05494	44.2
57.03151	1.0
57.03417	22.7
57.07049	1.9
59.04987	1.3
61.02898	7.4
62.72955	1.0
65.03918	1.6
67.05481	84.9
69.03391	5.1
69.07038	19.7
71.01324	2.0
71.04952	3.6
71.66631	0.9
73.02852	1.4
79.05462	54.8
81.03380	7.1
81.07025	81.8
81.57852	0.9
83.04945	5.9
83.08134	1.4
83.08588	25.7
85.02888	7.8
85.06492	6.1
86.09647	1.9
91.03946	1.1
91.05445	53.8
93.07007	70.3
95.04940	13.3
95.08570	55.0
97.02862	13.6
97.06486	6.6
97.10126	2.4
99.00780	31.5
101.77775	0.9
103.05436	1.7
105.06996	47.3
107.04912	8.3
107.08563	37.2
107.09296	1.1
109.02840	16.7
109.06476	4.0
109.10117	23.8
111.04339	1.2
111.08054	7.5
112.42869	0.8
115.03880	4.8
115.05428	1.0
117.06960	10.0
119.08530	27.1
121.06435	10.7
121.09425	1.2
121.10120	23.5
123.04372	2.4
123.08042	2.3
123.11646	7.8
124.25518	0.9
124.99931	1.4
125.02353	1.0
127.03845	5.3
128.06183	2.0
129.06969	4.4
130.07681	1.1
131.08522	13.8
133.06451	2.0
133.09076	2.2
133.10080	63.6
135.08051	1.5
135.11638	17.3
136.11859	1.0
137.05975	2.2
137.09598	4.3
139.07486	4.1
143.08524	7.9
145.06467	1.1
145.10062	11.3
147.08000	1.3
147.11665	8.0
149.09610	1.8
149.13196	7.6
151.11143	15.6
157.10179	1.2
159.11595	7.7
161.09560	26.3
161.13190	5.1
163.11107	1.4
163.14766	4.4
165.09070	1.1
171.07990	4.5
173.13231	4.8
177.16226	1.2
179.10585	12.3
184.07260	8.1
187.14725	1.6
189.09030	12.4
197.11598	2.0
207.10052	2.3
225.11116	11.9
232.90001	1.3
243.12225	2.1
243.20967	5.4
259.20471	1.3
261.21994	17.6
281.13678	2.3
299.14786	90.7
315.22974	1.5
317.24588	1.8
335.25684	100.0
367.67313	1.1
421.31061	1.1
449.30029	1.6
467.31226	6.7
485.32224	5.8
513.35394	2.4
515.37433	1.2
531.36383	2.1
541.34930	15.1
545.38196	4.2
559.36084	60.8
560.36005	1.5
712.60059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	5.9
53.03917	5.5
55.01851	5.0
55.05248	1.9
55.05494	44.2
57.03151	1.0
57.03417	22.7
57.07049	1.9
59.04987	1.3
61.02898	7.4
62.72955	1.0
65.03918	1.6
67.05481	84.9
69.03391	5.1
69.07038	19.7
71.01324	2.0
71.04952	3.6
71.66631	0.9
73.02852	1.4
79.05462	54.8
81.03380	7.1
81.07025	81.8
81.57852	0.9
83.04945	5.9
83.08134	1.4
83.08588	25.7
85.02888	7.8
85.06492	6.1
86.09647	1.9
91.03946	1.1
91.05445	53.8
93.07007	70.3
95.04940	13.3
95.08570	55.0
97.02862	13.6
97.06486	6.6
97.10126	2.4
99.00780	31.5
101.77775	0.9
103.05436	1.7
105.06996	47.3
107.04912	8.3
107.08563	37.2
107.09296	1.1
109.02840	16.7
109.06476	4.0
109.10117	23.8
111.04339	1.2
111.08054	7.5
112.42869	0.8
115.03880	4.8
115.05428	1.0
117.06960	10.0
119.08530	27.1
121.06435	10.7
121.09425	1.2
121.10120	23.5
123.04372	2.4
123.08042	2.3
123.11646	7.8
124.25518	0.9
124.99931	1.4
125.02353	1.0
127.03845	5.3
128.06183	2.0
129.06969	4.4
130.07681	1.1
131.08522	13.8
133.06451	2.0
133.09076	2.2
133.10080	63.6
135.08051	1.5
135.11638	17.3
136.11859	1.0
137.05975	2.2
137.09598	4.3
139.07486	4.1
143.08524	7.9
145.06467	1.1
145.10062	11.3
147.08000	1.3
147.11665	8.0
149.09610	1.8
149.13196	7.6
151.11143	15.6
157.10179	1.2
159.11595	7.7
161.09560	26.3
161.13190	5.1
163.11107	1.4
163.14766	4.4
165.09070	1.1
171.07990	4.5
173.13231	4.8
177.16226	1.2
179.10585	12.3
184.07260	8.1
187.14725	1.6
189.09030	12.4
197.11598	2.0
207.10052	2.3
225.11116	11.9
232.90001	1.3
243.12225	2.1
243.20967	5.4
259.20471	1.3
261.21994	17.6
281.13678	2.3
299.14786	90.7
315.22974	1.5
317.24588	1.8
335.25684	100.0
367.67313	1.1
421.31061	1.1
449.30029	1.6
467.31226	6.7
485.32224	5.8
513.35394	2.4
515.37433	1.2
531.36383	2.1
541.34930	15.1
545.38196	4.2
559.36084	60.8
560.36005	1.5
712.60059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	6.6
55.01854	14.1
55.05241	2.7
55.05496	53.2
57.03418	23.4
57.07045	2.3
57.33029	1.1
59.04984	3.2
61.02902	7.3
65.03922	2.6
67.05482	67.2
69.03402	5.6
69.07047	23.0
71.01307	1.6
71.04961	8.6
73.02913	1.4
78.01907	1.2
79.05459	81.5
81.03385	23.6
81.07025	64.4
83.01302	15.9
83.04961	21.6
83.08591	21.5
85.02879	9.2
85.06487	1.6
91.05446	97.1
93.07009	92.5
95.04922	18.7
95.08568	41.4
97.02857	5.6
97.06486	9.6
97.10140	8.4
99.04415	1.8
103.05393	2.2
105.06997	100.0
107.04943	9.7
107.08560	47.5
109.06487	10.8
109.10109	13.8
111.04413	5.6
111.08061	5.3
115.05389	4.9
117.06973	32.1
119.08538	78.9
121.06452	7.3
121.10111	28.9
123.08028	10.7
123.11658	2.3
125.09608	5.2
128.06180	2.0
129.06975	15.9
130.07747	2.4
131.08528	37.3
133.10078	53.0
135.07977	5.1
135.11653	26.9
137.09586	3.1
142.07729	2.4
143.08542	16.2
145.06500	1.4
145.10085	36.0
147.08000	3.2
147.11652	37.9
149.09529	2.3
149.13210	8.1
153.12691	2.3
155.08504	6.7
157.10083	14.4
159.11626	21.3
161.09659	1.9
161.13171	19.0
163.11130	31.6
169.10045	1.9
171.11600	13.1
173.09587	3.0
173.13133	10.6
174.26631	1.5
175.11168	1.4
175.14804	2.8
181.12328	1.6
184.07257	2.5
185.13219	8.5
187.14793	1.8
189.11089	2.7
191.10547	2.4
199.14699	5.0
209.11671	7.9
213.16331	1.9
224.22710	1.3
227.12572	10.7
231.20952	2.6
241.19415	18.9
243.58292	1.5
257.18854	2.8
259.20483	58.6
275.20050	2.1
283.15302	59.0
297.22012	5.8
315.23114	9.7
333.24121	41.8
368.62354	1.5
431.29205	3.1
449.30283	10.0
467.31366	2.8
485.32367	2.3
523.34003	12.2
541.35046	90.6
542.35492	5.2
559.36115	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	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.9
53.03928	6.4
55.01858	18.6
55.05496	27.5
57.03417	19.1
60.55130	0.8
61.02888	1.3
63.04988	0.8
65.03899	1.5
67.05480	51.9
69.03395	5.1
69.07043	37.6
71.04962	5.1
73.02883	1.4
73.06561	0.9
79.05457	53.8
79.05917	2.1
81.03385	52.5
81.07022	69.6
83.04953	16.9
83.08587	21.5
85.02869	29.6
85.06516	3.2
85.42645	0.8
91.05443	84.9
93.07002	51.4
95.01305	10.1
95.04926	32.0
95.08565	37.4
97.02859	3.5
97.06497	34.1
97.10119	3.5
99.04360	1.3
99.08073	1.0
103.05421	1.5
105.06994	100.0
107.04919	26.6
107.08549	20.7
109.05840	0.9
109.06487	8.6
109.10125	9.2
111.04378	2.0
111.08051	9.2
111.56902	0.9
112.09463	0.9
113.05943	3.5
113.09544	1.1
115.05453	1.4
117.06979	14.3
119.08537	59.1
121.06449	5.2
121.10105	16.4
123.04369	3.6
123.08026	7.9
123.11647	2.2
125.09604	1.2
129.06973	12.4
131.04973	1.0
131.08519	32.8
133.06474	4.1
133.10081	54.6
135.08003	5.0
135.11649	7.7
137.09555	4.4
141.06891	1.1
142.07747	1.8
143.08482	2.2
145.06392	1.4
145.10081	18.6
147.07985	3.6
147.11638	28.9
149.09604	10.2
149.13225	5.4
151.11121	1.6
157.10069	16.1
159.07985	1.5
159.11641	13.2
161.13194	8.2
163.11160	7.2
164.13962	1.0
165.08974	1.3
165.12677	2.1
169.10054	2.0
173.13161	3.9
175.11098	11.6
177.12700	1.8
179.14224	12.4
183.11673	1.7
185.13222	1.3
187.11099	3.7
193.12154	24.1
211.13205	18.5
247.16714	1.2
257.18814	1.9
267.15805	25.2
275.17053	2.1
275.19958	50.6
279.15726	1.5
285.16855	51.3
293.21136	2.2
349.23593	25.2
373.23859	0.9
541.35059	69.7
542.35034	1.4
559.36102	91.8
560.36212	2.1
577.36682	2.0
703.39801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.9
53.03932	6.1
55.01854	16.3
55.05243	1.6
55.05493	27.7
57.03416	12.9
57.07062	1.2
61.02896	1.3
65.03900	1.3
67.05477	45.4
69.03394	3.8
69.07037	32.2
71.01328	1.0
71.04945	4.0
79.05004	1.6
79.05457	47.3
81.03381	35.1
81.07022	65.0
83.04943	15.3
83.08589	16.9
84.31964	0.7
85.02871	15.8
85.06496	3.1
90.78599	0.8
91.05440	72.8
93.07001	45.4
95.01278	10.9
95.04929	22.7
95.08563	37.9
97.02847	1.8
97.06490	26.8
97.10118	4.5
99.08054	1.7
103.05413	3.1
103.67891	0.9
104.06220	1.0
105.06990	96.0
107.04920	22.7
107.08549	18.8
109.06475	7.1
109.10107	9.1
111.04395	3.4
111.08041	6.4
113.05960	1.3
113.09618	0.9
115.05412	1.0
117.06983	17.4
119.08537	52.2
121.06443	1.8
121.10094	13.8
123.04385	1.8
123.08016	5.9
123.11664	3.3
125.09549	1.6
125.43187	0.7
128.06166	1.2
129.06943	8.8
131.08524	26.5
133.06450	1.5
133.10078	47.7
135.07997	4.3
135.11609	6.7
137.09554	4.6
141.06940	1.6
142.07747	1.2
143.08510	3.5
145.06435	1.8
145.10074	19.4
147.08035	1.0
147.11636	20.1
149.09564	11.3
149.13203	1.8
155.08591	1.0
157.10066	10.9
159.11609	10.8
161.09538	0.8
161.13179	4.8
163.11095	5.7
165.12659	1.8
169.10049	3.6
171.11641	3.0
173.13196	3.2
175.11180	5.7
177.12720	3.0
179.14246	10.4
183.11600	1.3
184.85077	0.7
185.13179	1.3
187.11172	1.5
187.14902	0.7
193.12173	13.5
197.13191	0.8
201.16428	1.0
211.13205	11.5
219.17319	15.2
239.17831	1.0
247.20576	1.1
257.18918	4.6
267.15765	13.8
275.19937	51.0
279.15698	0.9
280.83969	0.8
283.15240	1.0
285.16824	26.2
293.21088	2.8
325.93790	0.9
349.23621	30.7
461.28632	1.2
506.00711	0.8
535.64105	0.9
541.35022	53.3
546.31824	0.9
559.36084	100.0
560.36243	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	756.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.6
55.01844	5.1
55.05249	0.9
55.05497	21.6
55.55312	0.6
57.03410	13.1
58.42989	0.6
59.03510	0.7
60.39446	0.7
62.80277	0.7
64.32501	0.8
65.53076	0.7
67.05479	25.4
69.03391	3.6
69.07040	7.2
71.04942	5.2
75.64601	0.7
76.03057	0.7
79.05008	1.2
79.05457	30.4
81.03386	64.5
81.07027	25.1
83.04959	7.2
83.08585	19.5
85.02856	1.4
85.06512	1.6
91.05442	23.4
93.07007	22.6
95.04927	31.2
95.08575	14.1
97.02846	3.1
97.06496	3.7
97.10130	23.8
105.06985	18.6
107.04213	1.1
107.04916	22.1
107.08546	15.3
109.06463	10.6
109.10126	8.5
111.04403	1.9
111.08059	10.0
113.05943	1.0
115.05400	1.0
117.06979	6.2
117.07683	0.7
119.04891	1.0
119.08537	13.3
121.06456	14.6
121.10093	12.0
123.04398	3.5
123.07989	6.0
123.11655	1.4
125.05923	0.8
125.09597	21.8
125.64381	0.7
128.97713	0.8
129.06972	13.9
131.04881	1.4
131.08508	14.0
133.06404	6.6
133.10075	7.1
135.07977	7.3
135.11633	1.5
137.09612	1.4
141.07019	1.0
142.07751	3.2
143.08499	3.3
145.06430	9.4
145.10074	6.9
147.04378	1.3
147.08006	5.5
147.11639	10.2
149.09602	6.8
153.09015	4.2
155.08382	2.6
156.81883	0.9
157.10072	9.7
159.08009	4.0
159.11665	2.7
161.09537	1.8
161.13155	1.1
163.11089	4.1
165.12730	1.6
169.10081	1.7
171.07924	1.2
171.11641	1.7
173.09576	1.1
175.11102	9.5
181.10043	1.2
181.12045	0.8
183.07831	0.8
183.11664	1.2
185.09622	1.6
185.13054	1.0
187.11108	1.4
187.14767	1.4
189.09521	0.9
189.11140	7.5
189.12630	2.4
191.14226	0.8
193.12173	19.9
195.11623	1.4
197.13216	1.8
198.01324	0.8
199.11031	1.1
201.12733	1.3
205.12225	1.8
211.13139	1.0
213.12578	1.1
215.14220	1.9
217.12111	1.4
219.13686	3.7
223.10986	0.9
225.12708	1.1
227.12524	1.9
231.13725	0.8
233.15338	7.2
237.12700	1.5
243.06456	0.9
243.13719	1.3
249.14737	1.2
255.13647	1.2
259.13184	1.2
267.15781	40.5
271.16812	0.9
273.14706	8.6
287.16165	1.5
291.15784	1.0
293.17331	1.3
322.42459	0.7
339.22974	4.3
349.21530	7.9
357.24081	3.9
367.22571	17.9
385.23575	26.9
403.24701	6.8
405.24402	1.2
425.99350	0.9
441.26169	9.3
459.27222	100.0
460.27536	1.9
477.28299	91.8
478.28754	1.4
491.29822	13.4
501.28098	0.9
509.30920	8.1
541.32910	1.0
640.71136	0.9
677.81250	0.9
787.08539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.5
55.01859	3.0
55.05495	8.6
57.03402	1.2
60.16930	0.9
67.05474	9.0
69.03407	18.0
69.07043	31.3
71.04951	7.7
73.06525	2.0
76.54500	1.2
79.05469	21.2
81.03376	19.4
81.07009	16.0
83.04474	2.8
83.04953	72.9
85.02878	10.0
91.05446	20.1
92.08672	2.0
93.07018	20.3
95.04942	16.4
95.08561	6.2
97.02846	7.0
97.06491	61.9
99.04423	13.7
101.05987	1.5
103.05431	1.7
105.06995	60.9
107.04913	8.0
107.08565	16.3
109.02837	5.7
109.06489	16.1
109.10155	1.1
113.05984	1.4
117.06982	13.3
119.04927	11.2
119.08547	9.0
121.06461	38.3
121.10088	4.7
123.04377	1.4
123.07977	2.6
125.05946	85.0
126.06297	1.1
127.03853	2.2
128.06264	1.7
129.06943	7.0
130.07715	5.5
131.08533	19.5
133.06462	9.3
133.10086	6.2
135.04424	2.2
135.08006	2.7
135.11674	2.6
137.05943	9.5
141.06923	3.0
143.06996	49.6
143.08514	9.4
144.09277	2.7
145.06421	14.5
145.10078	100.0
146.10420	1.3
147.04359	33.7
147.07954	2.8
147.11664	2.4
149.05939	4.4
149.09576	1.3
149.13226	1.8
151.07547	9.9
154.07750	2.5
155.08504	4.9
156.09261	1.3
157.06523	1.7
157.10068	5.5
158.07184	11.8
159.07994	9.9
159.10364	2.2
159.11642	41.8
161.05960	1.3
161.09560	2.8
163.03854	9.0
163.07477	2.1
163.11127	19.0
167.06960	2.3
169.10077	11.2
171.08125	1.7
171.11562	2.6
172.08733	6.8
173.09557	72.6
175.07443	1.8
176.21577	1.3
177.12665	10.0
187.11105	65.3
189.12662	2.1
191.10597	28.8
197.09560	10.1
205.12170	50.2
209.11633	6.6
215.07066	1.3
215.10622	53.7
233.11629	52.9
233.13829	2.3
251.12665	36.2
257.31491	1.5
269.13733	6.5
285.02927	1.3
295.05954	2.1
329.26892	1.3
377.15778	2.1
395.16891	5.4
413.17935	38.2
606.59454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
55.71400	0.2
57.03405	0.3
65.03912	0.5
65.54185	0.2
67.05464	1.3
69.03394	1.8
72.62673	0.2
72.95930	0.2
73.02870	0.5
76.55252	0.2
76.91783	0.2
77.44264	0.2
77.46262	0.2
79.05463	0.2
81.03385	0.2
83.04959	4.0
85.02891	2.8
87.04435	0.8
89.03848	0.8
91.05451	0.3
92.08699	0.3
93.03368	1.9
95.04917	0.9
97.02842	0.9
99.00773	1.0
107.04932	0.2
109.02817	0.3
111.04411	4.9
115.03872	1.1
115.05369	0.4
116.74833	0.2
117.03343	1.1
119.04937	0.4
121.02817	0.8
123.04370	0.4
127.03841	0.4
129.05441	1.6
131.04851	0.4
133.04924	0.4
135.04355	2.2
137.02281	1.3
137.05949	0.4
139.03873	2.8
145.02806	1.6
145.04927	0.5
147.04349	1.7
150.03069	2.5
151.85574	0.2
153.05316	0.2
157.04893	0.9
159.04417	0.2
160.05150	2.1
161.05931	1.4
163.03853	11.1
164.04219	0.4
165.05504	0.2
165.06918	0.3
167.07008	0.3
175.05913	0.8
177.05377	0.8
177.06886	0.4
178.02563	7.4
181.06367	2.1
183.08214	0.3
187.03777	4.6
193.04907	21.7
195.08040	0.4
197.05882	0.9
199.07475	0.3
203.03250	0.4
205.06453	2.7
211.07542	0.4
215.93712	0.2
221.05899	22.2
223.07472	8.3
223.09636	0.3
231.02744	2.8
233.05862	2.1
234.06699	0.9
239.06909	1.1
240.20787	0.2
243.06400	1.6
249.05374	25.0
250.06085	1.0
251.04340	0.4
251.06946	11.3
252.07314	0.3
253.04851	0.3
266.05679	0.3
267.06424	4.9
269.07971	6.8
269.10657	0.3
271.05923	0.9
273.06006	1.4
275.09128	0.3
277.04898	3.7
278.05511	0.3
279.06409	0.3
281.04214	1.0
281.07141	0.2
285.07507	5.9
295.05911	100.0
296.06339	1.8
296.09991	0.2
309.07324	0.4
313.06973	8.4
323.05371	1.1
325.06815	0.8
326.07196	0.9
327.07950	0.3
341.06433	5.2
355.08206	0.2
359.07294	0.3
367.10620	0.3
371.07535	0.2
373.08295	0.2
447.11111	0.9
469.11029	1.3
487.12393	1.6
497.10226	0.3
512.67065	0.2
515.11823	2.5
524.13251	0.3
529.13232	0.3
665.96362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.2
55.05478	0.2
67.05457	0.5
69.03378	0.2
70.12971	0.1
81.03356	0.2
81.57562	0.1
83.04955	1.3
85.02863	0.6
93.03329	0.5
95.04927	0.4
98.28352	0.1
109.02795	0.5
111.04407	1.5
114.71186	0.1
114.79199	0.1
121.02789	0.2
129.05424	0.3
131.04868	0.2
136.06178	0.1
137.02280	1.0
139.03864	0.8
147.04362	0.2
153.05383	0.1
157.04953	0.2
159.04391	0.5
160.05142	2.7
161.05896	0.6
163.03806	0.5
165.06897	0.3
167.08453	0.1
175.03764	0.1
176.06017	0.1
177.06931	0.6
177.64174	0.1
180.17970	0.1
181.06400	1.9
187.03716	1.4
188.09901	0.1
188.69455	0.1
193.04865	0.5
193.06459	0.5
195.06445	0.1
195.07932	1.0
197.05951	0.2
199.07458	0.2
203.03256	1.2
203.04881	0.1
205.06404	3.5
207.08018	0.3
207.94769	0.1
209.05846	0.1
211.07468	0.5
221.05893	22.3
222.06400	0.3
223.07452	8.5
225.05260	0.3
231.02721	0.9
233.05855	2.5
234.06642	0.6
235.07286	0.3
239.06929	1.1
243.06342	0.4
249.05360	24.2
250.06119	1.4
251.06926	11.6
252.07442	0.1
253.04861	0.4
253.08356	0.6
266.05511	0.3
267.06430	4.1
269.07980	7.6
271.05923	0.8
277.04846	4.0
278.05417	0.2
279.06458	0.6
281.04666	0.8
281.07996	0.7
285.07462	5.5
294.04855	0.1
295.05893	100.0
296.06186	1.7
297.07501	0.1
299.05347	0.2
305.04080	0.1
307.05878	0.2
313.06952	8.7
323.01889	0.2
323.05377	2.9
325.06927	0.2
326.07431	0.2
327.08286	0.2
339.08511	0.9
341.06448	4.2
357.09634	1.2
359.07465	0.6
469.10861	1.4
487.12402	1.3
515.11603	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85822	0.1
65.03923	0.3
67.05474	0.3
67.93387	0.2
69.03384	0.3
83.04958	1.5
85.02853	0.2
93.03344	0.2
105.44044	0.2
109.02831	0.3
111.04421	1.5
120.69264	0.2
124.87684	0.2
129.05392	0.7
135.04381	0.3
137.02304	1.8
139.03845	0.3
147.04356	1.0
150.03036	0.4
157.04936	0.3
159.04349	0.8
160.05139	2.7
161.05933	0.8
163.03815	2.5
163.32251	0.2
165.06915	0.4
167.07024	0.2
177.05446	0.4
177.06873	0.2
178.02574	1.2
181.06403	1.7
187.03772	5.4
193.04910	3.8
193.06499	0.5
194.05260	0.2
195.07985	0.8
197.05890	0.3
203.03239	0.4
205.06441	3.6
211.07506	0.3
221.05894	21.7
222.06250	0.3
223.07457	8.7
225.05464	0.3
231.02737	2.7
233.05878	2.8
234.06708	0.4
239.06871	1.1
243.06395	0.9
249.05363	23.9
250.06033	1.2
250.18527	0.2
251.06932	13.3
267.06363	3.8
269.07983	9.3
271.06000	0.6
277.04819	4.3
279.06299	0.3
281.04361	0.7
285.07474	5.6
295.05902	100.0
296.06378	1.9
313.06970	7.0
323.05457	1.3
335.53116	0.2
341.06427	4.7
359.07373	0.3
383.77802	0.2
405.07776	0.2
423.09457	0.3
469.11185	1.3
487.12247	1.6
497.10590	0.4
515.11646	3.0
741.46460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85141	0.5
58.51094	0.5
61.34867	0.6
61.68465	0.5
71.33733	0.6
78.06141	0.6
79.05460	1.4
83.04954	1.3
84.78023	0.6
85.02872	0.7
89.03880	3.8
98.97594	0.8
107.04881	1.3
111.04408	1.2
117.03373	4.6
135.04367	14.1
137.02213	0.9
139.03859	0.8
145.02802	11.9
153.05563	0.9
161.05940	0.7
163.03847	100.0
164.04166	3.7
178.02574	0.9
181.06377	0.9
187.03819	4.2
193.04933	2.7
205.06447	0.9
221.05891	6.9
223.07474	4.8
225.05307	0.8
230.98769	0.8
231.02887	1.4
237.02702	1.1
243.06410	1.3
249.05304	7.8
251.06909	5.1
267.06387	1.1
269.07941	1.6
275.09033	1.2
277.04776	1.3
281.04190	0.8
285.07550	0.9
295.05927	37.0
313.06952	2.9
317.08954	1.6
337.09070	1.4
355.10150	7.3
449.13010	0.8
478.63181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.5
57.03408	3.1
57.07066	2.3
61.02876	2.2
67.05478	3.3
67.11447	1.9
69.07040	1.9
71.08588	2.5
72.55007	1.8
79.05442	3.0
80.20210	2.2
81.07025	4.5
83.08604	2.0
85.02893	2.7
85.10197	2.6
86.09689	1.9
91.03903	2.4
91.05452	3.7
93.07030	2.1
95.08587	3.6
97.02847	2.1
98.98439	2.3
100.48338	2.0
119.08569	2.3
163.11116	2.6
176.06093	2.0
182.45384	1.8
208.67656	1.8
281.13626	3.0
497.31256	3.3
499.21252	9.1
505.78128	2.1
585.29926	2.3
755.45343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.8
60.09943	0.5
65.03926	0.6
65.94093	0.4
67.05472	0.9
69.03386	2.5
71.26987	0.4
73.70235	0.4
81.88010	0.4
83.04955	5.3
85.02865	3.5
93.03349	1.9
95.04979	3.1
99.83524	0.5
105.51429	0.5
111.04398	6.0
121.02763	0.6
123.04391	2.1
129.05446	2.5
131.04875	2.3
135.04424	0.5
137.02325	4.6
139.03853	3.1
140.04620	0.6
147.04317	3.3
153.05415	1.6
154.08559	2.4
155.07030	2.6
157.04903	1.5
159.04356	2.5
160.05159	7.4
161.05919	2.3
163.03848	1.0
165.06891	1.0
167.08521	0.6
173.61766	0.4
175.06007	0.6
177.05473	0.5
177.06940	1.6
178.02582	0.6
179.08490	3.6
181.06468	2.4
182.07231	0.5
183.07979	4.6
187.03766	5.0
189.05301	2.0
189.06938	5.4
193.04910	2.8
193.06609	2.2
195.07977	2.1
197.05869	1.7
203.03355	8.9
205.06409	9.2
207.08000	14.6
209.05917	0.7
210.06731	2.6
211.07378	3.4
217.06367	3.7
218.07123	0.6
220.05200	0.7
221.05878	28.2
222.06508	0.8
223.07449	11.3
225.05501	0.9
225.09041	0.9
231.02792	10.3
233.05920	8.4
234.06647	2.1
235.05190	0.8
235.07452	19.1
236.04662	1.6
237.05377	2.1
237.08968	0.9
238.06149	4.9
239.06902	4.6
243.06413	0.9
245.07027	0.8
248.04323	0.5
249.05370	32.1
250.06111	5.1
251.06946	11.5
252.07816	0.5
253.04778	1.0
253.08499	21.2
255.06349	0.5
255.09975	1.0
261.05399	1.0
262.06073	0.4
263.06854	4.0
264.03918	0.6
265.04871	6.1
265.07690	0.6
266.05695	2.9
267.06436	5.6
269.08014	4.7
277.04819	13.5
278.05536	2.7
279.06442	16.7
280.07010	0.6
281.04456	3.5
281.07947	26.6
282.05130	0.6
282.08640	1.0
283.06134	0.7
285.07562	3.7
293.04337	1.9
293.07773	0.9
294.04919	0.6
295.05902	100.0
296.06488	1.9
297.07471	2.2
298.08234	2.8
307.05899	12.1
309.03830	1.8
309.07401	1.6
313.06937	4.1
313.10547	8.4
323.05392	24.3
324.06107	4.8
325.06949	4.4
326.07202	0.6
329.10303	0.8
339.08517	36.8
341.06403	15.5
341.10156	3.1
357.09555	56.1
377.08850	0.6
385.08960	7.3
427.93210	0.5
469.11105	1.0
487.11734	0.8
511.54684	0.5
515.11670	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	755.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27980	1.2
55.05497	11.7
57.03416	8.6
57.07055	7.2
61.02902	6.1
62.79003	1.2
67.05480	17.3
69.03414	2.0
69.07055	7.1
71.04955	2.6
71.08612	3.2
71.40884	1.2
73.02891	7.0
79.05461	10.3
81.03399	5.3
81.07005	14.3
83.08583	5.6
85.02882	8.6
86.09718	1.8
91.03931	2.8
91.05453	6.1
93.07011	8.2
95.08567	9.3
97.02868	3.3
97.10142	3.1
98.40693	1.3
101.02351	2.4
105.06971	5.3
107.08575	3.2
109.10149	7.3
119.08546	3.3
121.10107	2.5
124.99999	1.4
125.91590	1.5
131.08517	2.0
145.18742	1.3
149.09674	1.9
173.11760	1.5
184.07356	7.7
188.28854	1.5
229.14297	2.0
243.08228	1.8
267.15961	1.8
283.15298	7.0
313.27383	8.7
314.27710	5.3
326.01843	1.6
335.26129	1.9
495.29169	6.2
501.22906	13.4
544.16650	1.9
755.45325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.5
53.03931	5.8
55.01851	4.2
55.05238	1.1
55.05494	29.3
55.53823	0.6
57.03418	13.2
57.07048	2.7
61.02890	0.8
65.03902	3.0
67.05478	72.2
69.03439	0.6
69.07043	20.7
71.04957	3.3
73.06496	1.0
78.71329	0.7
79.05458	95.2
79.20071	0.5
81.03387	7.4
81.07023	72.9
83.04955	12.9
83.08592	8.8
85.02875	2.6
85.06522	5.0
85.39211	0.7
91.05441	100.0
92.08616	0.9
93.07003	91.7
95.04928	24.3
95.08562	43.3
97.06464	6.2
97.10137	4.8
99.08059	1.4
103.05442	2.9
105.04498	1.5
105.06990	93.9
107.04917	9.9
107.08553	38.1
109.06490	8.5
109.10122	10.8
111.08054	2.7
115.05412	1.3
117.06977	23.6
117.07769	1.1
119.08534	72.9
121.06492	3.8
121.10094	16.7
121.10876	1.0
123.08021	6.9
123.11641	1.5
125.09579	0.9
128.06183	4.3
129.05447	1.1
129.06950	25.2
130.07745	3.1
131.08511	25.7
133.06497	0.9
133.10080	45.0
135.08037	1.3
135.11646	13.5
137.09595	1.5
137.13162	1.0
141.06969	1.5
142.07709	1.4
143.08502	21.3
144.09230	0.9
145.06424	1.0
145.10072	22.5
147.07985	3.7
147.11636	60.0
149.09564	1.3
149.13193	8.6
155.08543	1.2
156.09288	1.3
157.10052	7.9
159.11624	17.9
161.09602	5.6
161.13187	26.2
163.11122	1.4
163.14745	3.1
167.08499	1.0
169.10117	4.5
171.10136	1.1
171.11617	31.2
173.13193	10.7
175.14763	10.8
177.12660	0.9
181.10074	1.1
183.11682	1.6
185.13197	11.1
187.11119	1.2
187.14766	3.0
189.12715	6.6
189.16246	0.9
195.11638	0.9
197.13214	1.4
199.14763	4.2
201.16351	1.0
207.13686	12.0
213.16292	1.3
215.17810	0.9
217.19528	0.9
231.17540	0.8
231.20963	4.0
241.14502	0.8
241.19398	20.0
257.18887	3.4
259.20477	47.4
277.21494	0.8
279.15759	9.0
281.17358	41.6
315.23071	3.8
321.21542	0.7
333.24100	32.0
361.88501	0.7
429.31168	1.3
446.73068	0.7
447.32419	5.9
465.33292	2.9
483.34650	1.6
521.35883	1.6
539.37073	62.6
540.37427	1.3
557.38208	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	754.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.4
53.03922	2.4
55.01844	3.3
55.05246	2.0
55.05494	44.2
57.03417	25.9
57.07043	7.5
58.23485	1.7
60.08125	3.4
61.02887	8.2
65.03916	2.9
67.05481	100.0
69.03394	7.2
69.07046	21.6
71.01333	1.5
71.04961	3.3
71.07335	1.7
73.02865	1.9
78.00155	1.5
79.05009	3.1
79.05457	75.9
81.03381	13.9
81.07022	76.5
83.04937	7.4
83.08586	18.0
85.02865	13.9
86.09671	25.9
91.05442	40.4
93.06437	2.4
93.07005	65.5
95.04921	25.9
95.08562	48.9
97.02827	3.0
97.06468	7.4
97.10124	17.7
99.04411	1.6
99.08047	2.1
105.06989	24.6
107.04910	6.7
107.07890	2.2
107.08567	38.7
109.06422	2.9
109.10111	30.4
111.07982	3.4
115.05427	1.9
117.06977	17.7
119.08533	19.8
121.06446	2.8
121.10098	24.3
123.11663	3.0
124.99979	19.8
125.09564	10.2
129.06981	2.2
131.08530	21.0
133.10083	11.8
135.07982	6.9
135.11653	11.2
141.06976	2.2
143.08459	2.9
145.10065	15.8
147.11642	6.3
149.09529	2.5
149.13171	3.7
159.11662	13.7
166.03497	1.7
169.10052	3.2
173.11746	2.7
173.13162	3.6
177.12646	3.0
184.07280	72.5
184.12404	1.6
189.11122	6.1
205.12077	2.1
223.13174	40.0
227.12775	6.4
229.14255	3.8
233.54176	1.6
261.22043	6.7
275.91516	1.7
281.17261	1.7
297.16818	58.4
313.27136	3.2
317.24509	2.0
335.25693	62.6
489.35452	10.2
539.36761	7.6
557.29974	2.4
557.38220	69.7
575.38568	2.1
650.43286	6.7
754.47028	3.3
755.44385	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	754.471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80842	5.6
55.01839	10.6
55.05492	33.3
57.03421	14.5
57.07053	8.0
67.05477	66.9
68.52503	6.3
69.07041	8.0
72.65993	5.7
79.05463	53.8
81.03388	12.2
81.07034	63.5
83.04943	8.4
83.08576	14.0
85.02880	7.5
86.09673	7.9
90.88562	6.7
91.05458	52.0
93.07008	78.5
95.04948	6.4
95.08564	44.1
98.40105	7.1
105.07004	13.4
107.08558	30.9
108.87283	6.7
109.10117	11.8
111.04462	8.5
119.08550	7.8
121.10112	32.5
131.08554	9.8
135.08080	7.5
135.11641	26.2
145.10075	9.2
161.74141	6.6
162.35001	6.9
163.11139	13.4
184.07217	7.4
209.11655	10.2
216.44353	6.1
217.20573	6.2
227.12740	8.9
261.22144	10.8
283.15268	91.7
335.25626	100.0
522.26013	9.1
543.36462	75.0
611.27417	10.1
754.46832	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	754.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	3.9
57.03405	2.5
60.08132	9.7
61.02895	0.7
66.73791	0.6
67.05476	6.4
69.07030	1.3
71.07338	4.7
71.08602	0.6
79.05451	5.0
81.03349	0.7
81.07017	5.9
83.04961	1.2
83.08572	1.6
85.02869	1.0
86.09671	42.9
91.05422	3.2
93.07020	6.7
95.04916	0.7
95.08563	5.7
98.98417	3.8
104.10691	1.3
105.06970	1.1
107.08541	2.8
109.10131	1.2
119.08540	1.3
121.10088	1.6
123.08035	1.0
123.11600	0.7
124.99947	29.9
134.63252	0.6
135.11659	2.5
145.10068	1.4
148.39386	0.6
155.08612	0.9
163.11127	1.1
173.03876	0.6
184.07268	100.0
196.08853	0.6
222.08580	0.7
224.56277	0.7
261.22113	2.1
273.59406	0.8
283.15231	14.6
335.25595	11.4
464.21307	0.8
543.36438	7.8
561.36407	1.0
591.08740	0.7
610.26685	2.3
611.27618	4.1
650.43420	7.5
695.37799	0.8
754.47925	11.0
755.46301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.1
55.01842	1.0
55.05275	0.6
55.05496	7.3
55.71482	0.7
55.93929	0.8
57.03396	0.9
57.07048	2.1
58.98781	0.6
61.02896	1.6
62.44117	0.8
65.03544	0.7
65.03913	1.1
67.05480	11.5
69.03408	4.4
69.06734	0.8
69.07042	12.5
70.65237	0.8
71.04939	1.0
71.10315	0.8
79.05456	11.1
81.03391	3.2
81.06548	1.2
81.07027	37.4
83.04942	1.7
83.08595	9.1
85.02864	9.8
85.06567	0.9
87.00768	1.5
91.05443	17.3
93.07004	34.4
95.04919	3.5
95.08569	59.1
97.02827	4.2
97.06512	1.1
97.10127	5.9
99.08044	1.2
105.06287	1.4
105.06998	44.1
107.08559	63.2
107.09299	2.0
109.06476	4.3
109.09402	1.5
109.10122	34.5
109.10862	1.6
111.08066	6.5
117.06954	5.8
119.08537	60.7
121.06429	1.1
121.10098	41.1
123.08011	4.4
123.11684	9.9
125.09585	21.7
127.03846	1.3
129.06950	4.2
130.07770	1.0
131.08510	25.5
133.10085	41.3
135.11642	19.1
137.09589	1.8
137.13197	1.7
142.07751	0.8
143.08513	9.3
144.09283	1.4
145.04973	1.2
145.10085	53.8
147.11641	23.3
149.09592	1.6
149.13185	12.7
151.11105	1.7
153.09024	1.7
155.08533	1.7
156.09276	1.4
157.10085	13.3
158.10844	1.2
159.11639	39.7
159.12971	1.4
161.13219	18.8
163.11137	2.0
163.14749	16.8
169.10075	3.7
171.11655	11.0
172.12404	2.1
173.13196	34.1
175.11113	1.5
175.14746	24.4
175.16174	1.2
177.12596	1.1
177.16318	22.7
181.09978	1.0
183.11652	1.6
184.12447	1.2
185.13181	6.3
187.14752	58.5
189.16313	41.7
191.14157	1.4
191.17889	10.5
193.12164	1.1
193.15755	1.5
197.13235	1.8
199.14764	15.7
201.16318	55.7
203.14244	5.1
203.17886	23.1
205.15823	9.1
205.19270	1.6
207.17435	1.6
209.13113	1.1
211.14835	1.4
213.16316	21.2
215.17906	24.9
217.15785	4.6
219.17389	8.6
221.15253	1.1
225.16388	1.0
227.17932	6.1
229.15776	1.5
229.19324	7.9
231.17358	4.7
232.06616	0.9
233.18991	4.1
235.16812	4.0
237.16362	1.6
239.17798	2.1
241.19380	6.6
243.21115	3.5
247.16780	5.0
249.18379	4.1
253.19405	1.3
255.20926	3.1
261.18445	7.5
265.19360	1.5
267.20938	4.2
275.19849	1.2
279.20944	3.6
283.24222	1.1
293.22565	1.1
295.24048	1.3
327.23001	1.2
341.24564	1.7
379.33536	6.2
389.31854	13.1
407.32947	34.7
409.34430	5.1
418.12973	1.0
423.32330	1.3
425.33945	4.9
435.32425	32.2
453.33472	100.0
454.33713	1.5
471.34363	4.0
511.33777	2.1
539.33789	1.0
557.34534	6.2
575.45605	1.1
599.08490	1.0
615.38617	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	754.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.81062	1.1
55.01856	11.1
55.05492	14.9
57.03419	8.6
59.04971	0.8
66.56262	0.6
67.05480	19.3
69.03407	1.2
69.07040	15.1
71.04967	2.0
79.05451	25.1
81.03380	13.8
81.07021	33.7
83.01330	5.7
83.04948	9.4
83.08590	10.8
85.02874	3.4
91.05445	33.2
93.06999	30.6
95.01286	5.1
95.04926	8.0
95.08569	20.4
97.06490	13.1
97.10138	1.8
99.04420	1.2
105.06998	45.8
106.12405	0.8
107.04914	13.0
107.08552	13.2
109.06493	6.8
109.10139	3.8
111.08022	1.0
117.06988	12.0
119.08540	25.9
119.09398	1.0
121.06449	3.3
121.10124	6.3
123.08018	7.3
123.11602	0.9
125.09566	1.1
128.06117	1.0
129.06964	1.2
130.07729	1.0
131.08519	15.4
133.10068	22.5
135.07974	1.0
135.11617	11.0
138.33163	0.9
143.08499	3.1
145.06453	1.6
145.10083	16.0
147.08009	1.4
147.11650	6.8
149.09590	1.9
149.13211	0.8
155.08513	2.0
159.11652	4.4
161.13223	1.3
163.11107	14.8
169.10048	1.1
177.12630	1.3
179.14253	7.4
183.11627	1.4
191.10631	1.1
207.79037	1.0
209.11659	1.4
227.12807	0.9
275.19958	23.6
283.15283	53.0
330.29803	1.0
347.14545	0.9
349.23605	10.3
354.62622	0.9
539.33398	4.7
557.34552	100.0
558.34723	3.9
593.93079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.3
53.03913	2.8
55.01842	0.9
55.05492	11.8
57.03416	25.2
57.07055	48.2
60.08119	1.3
61.02905	0.8
62.71371	0.6
67.05479	20.2
69.03391	3.0
69.07031	8.9
71.04949	1.7
71.08601	30.5
79.05459	12.3
81.03381	94.6
81.07019	25.3
83.04956	5.3
83.08589	24.9
83.77155	0.8
85.02916	1.1
85.10144	18.0
85.10611	1.3
86.09676	10.7
89.05993	1.1
91.05437	14.8
93.07018	10.9
95.04924	26.1
95.08565	25.0
97.02830	1.6
97.06470	1.2
97.10132	8.2
99.11712	0.8
105.06988	16.0
106.52277	0.8
107.04919	6.1
107.08571	4.5
109.02825	0.9
109.06486	3.6
109.10110	11.5
111.04419	1.5
111.08050	6.0
115.33401	0.7
117.06933	1.3
117.60138	0.8
119.08537	12.2
121.06462	3.0
121.10108	5.2
123.04344	1.6
123.08043	1.5
123.11656	4.8
124.99947	8.5
129.06961	9.7
131.08522	9.1
133.06458	3.4
133.10028	6.5
135.11647	0.8
137.09572	0.7
137.13199	1.3
142.07748	1.4
145.10056	1.2
147.08015	3.8
147.11613	7.9
149.09563	4.8
157.10069	9.8
163.11038	0.9
165.12698	1.6
175.11124	10.0
183.12976	0.9
184.07257	24.5
193.12163	31.2
211.13307	1.4
239.23613	1.5
257.24701	3.5
267.15796	95.9
268.16254	1.3
301.14230	1.0
308.07034	0.9
313.27234	100.0
470.65857	1.0
505.38675	80.9
506.38748	2.0
523.39343	3.0
547.39600	1.1
601.40619	1.5
631.41290	1.1
688.45404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.8
53.73112	1.7
54.49804	1.8
55.01847	11.4
55.05491	40.1
56.00401	1.8
57.03416	25.2
62.90435	2.0
67.05478	60.4
69.03405	21.2
69.07040	14.7
71.04977	15.3
71.14401	1.7
73.02895	3.4
79.05463	45.7
81.03383	100.0
81.07024	44.0
83.04953	28.6
83.08604	20.7
85.02885	27.0
85.06493	3.8
91.05444	48.6
93.07001	36.4
95.04922	38.2
95.08567	22.4
97.02855	22.0
97.06495	14.2
97.10149	16.8
98.03650	11.1
105.07014	33.9
107.04904	21.1
107.08570	23.0
109.02829	8.3
109.06477	10.9
109.10123	23.4
110.07256	3.6
111.04413	11.6
111.08041	10.1
113.05977	4.1
115.05441	4.4
115.34351	1.9
117.06976	11.8
119.07715	3.1
119.08514	30.1
121.06496	4.7
121.10073	19.8
123.04436	4.6
123.08024	11.6
125.09595	14.8
127.03899	4.1
127.07533	2.3
129.05460	9.4
129.06961	15.4
131.08527	16.6
133.06465	2.3
133.10109	22.4
135.04366	2.1
135.07991	3.8
135.11646	5.3
137.09575	3.2
142.07832	2.4
143.75011	2.1
145.02766	2.7
145.06471	2.5
145.10103	12.1
147.07988	2.9
147.11636	21.3
149.09601	4.4
153.09065	8.4
153.12685	3.1
157.10077	14.5
162.94135	2.3
163.03859	14.2
163.11165	18.7
173.04393	9.1
175.11067	15.0
181.12177	4.7
189.11078	3.4
191.10522	3.0
193.12158	32.3
199.06042	2.7
199.13248	3.2
209.11612	4.4
211.13213	26.9
227.12717	12.3
267.15805	22.6
268.16772	2.1
283.15320	9.5
285.16876	26.1
313.91132	2.7
315.18082	2.8
421.25403	10.8
427.19455	3.1
439.26743	36.6
445.20615	3.4
475.26575	9.1
493.27872	10.4
511.28882	9.8
571.21234	2.6
655.33282	3.9
656.32025	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	752.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.7
53.03929	4.5
55.01603	0.9
55.01853	19.4
55.05492	17.9
57.03415	5.0
57.07058	0.7
58.46597	0.6
59.04556	0.4
60.60809	0.5
61.02886	2.4
65.03887	0.8
66.36151	0.5
67.05478	35.5
69.03393	2.8
69.06677	1.1
69.07039	24.1
71.04546	0.6
71.04935	2.2
73.02866	1.4
78.67879	0.5
79.05460	45.8
81.03366	9.4
81.07021	41.9
83.04958	10.2
83.08595	6.7
85.02865	2.7
85.06524	2.2
91.05441	53.1
93.07007	42.8
95.01292	6.0
95.04927	15.2
95.08569	27.3
95.27312	0.6
97.02843	2.4
97.06495	26.4
97.10131	1.2
99.08030	0.8
103.05443	0.8
105.04474	1.0
105.06993	63.2
107.04909	14.2
107.08557	15.5
109.06467	5.3
109.10115	8.1
111.04447	0.7
111.08060	1.2
113.09608	0.8
115.05416	1.0
117.06978	10.0
119.08534	35.8
121.06434	3.3
121.09332	0.9
121.10095	7.7
123.04346	1.1
123.08009	4.6
123.11668	1.0
125.09562	1.3
127.07441	0.6
128.06192	1.1
129.06952	8.7
131.08522	14.5
132.06512	0.6
133.06396	0.5
133.10081	27.1
135.08003	2.6
135.11618	5.9
137.09628	1.0
141.06969	1.0
142.07678	0.6
143.08501	5.5
145.06413	1.1
145.10066	13.0
147.08000	1.2
147.11655	18.0
149.09541	5.3
149.13187	2.6
151.11105	0.9
155.08513	0.7
157.10083	0.9
159.11606	7.5
161.09538	2.4
161.13164	7.2
163.11116	4.0
165.09055	1.0
168.15114	0.6
169.10031	2.7
171.11624	7.3
173.13153	1.1
177.12735	1.4
179.14238	7.3
183.11626	0.6
184.07294	0.8
187.11093	1.0
187.14915	0.6
189.12755	1.2
207.13721	4.3
239.18042	0.8
247.20468	1.3
255.11816	0.8
257.18884	2.4
259.20596	0.8
263.16306	1.0
275.19955	31.4
279.15845	1.0
281.17374	21.0
293.21014	1.0
301.86288	0.6
349.23547	11.3
519.28851	0.9
520.29089	1.0
537.35278	2.3
555.36609	100.0
556.37280	2.2
573.37286	0.8
670.89716	0.6
689.26660	0.6
724.58118	0.7
751.42285	5.3
752.42365	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	752.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	17.7
55.01854	25.5
55.05497	57.6
57.03417	32.4
57.54532	3.5
59.04968	3.8
61.02881	6.6
67.05157	5.2
67.05486	82.2
69.03414	16.5
69.07051	5.7
71.01334	5.4
71.04963	21.2
79.05460	75.7
81.03391	100.0
81.07021	52.7
82.04176	4.3
82.86765	3.8
83.01310	21.0
83.04945	44.8
83.08599	39.0
85.02883	22.9
85.06517	4.6
91.05432	48.9
92.08681	13.2
92.90011	4.4
93.07014	66.3
95.04943	30.6
95.08563	27.3
97.02851	28.1
97.06493	18.2
97.10120	21.5
98.03589	13.1
99.04428	5.4
105.07002	27.4
106.18805	3.8
107.04939	22.6
107.08546	36.0
109.02823	8.3
109.06480	17.7
109.10123	24.7
110.07262	5.9
111.04363	7.2
113.06030	5.4
117.06978	10.3
119.08554	23.8
121.06427	6.4
121.10089	19.7
123.04395	8.0
123.08017	9.3
125.09581	9.9
127.68941	3.9
129.05452	5.9
131.08528	18.8
133.06393	4.3
133.10106	7.6
135.08064	5.8
135.11624	20.1
140.80327	4.4
145.06494	4.0
145.10072	30.8
147.11613	5.0
153.09045	6.7
153.12733	7.3
157.10069	5.4
163.11118	52.9
173.04401	22.8
173.11676	6.4
181.12210	5.4
191.10637	5.5
199.05981	4.8
209.11700	18.5
224.13962	8.0
227.12729	16.9
236.77324	4.4
283.15341	47.3
297.81195	4.5
437.25073	87.7
491.26071	26.2
492.26605	5.2
509.26999	23.3
555.30811	6.1
637.32141	5.4
653.31329	7.0
751.38947	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	752.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	16.1
57.03419	10.8
57.07049	5.4
59.04983	2.0
61.02903	3.6
67.05489	19.6
69.03397	15.1
69.07044	28.1
71.04970	3.0
73.02867	2.4
74.58382	2.5
76.54884	2.6
79.05470	17.8
81.03376	4.7
81.07024	46.5
83.04919	3.7
83.08592	10.6
85.02874	35.5
91.05448	23.6
93.07009	45.3
95.04916	10.3
95.08572	67.1
97.02858	13.3
97.06501	4.7
97.10123	2.8
105.06993	48.7
107.04902	3.2
107.08564	69.8
109.02850	3.0
109.06505	16.8
109.10123	48.0
111.08022	4.4
113.05958	17.9
115.07551	4.0
117.06969	10.0
119.08540	100.0
121.06474	11.5
121.10094	58.5
123.08018	12.4
123.11619	21.0
129.06969	4.0
131.08536	30.3
133.10085	67.8
135.08023	12.4
135.11638	29.1
137.09593	3.5
137.13254	4.4
139.07439	3.4
143.08490	17.1
145.10081	64.7
147.08005	9.4
147.11642	52.9
149.09604	25.4
149.13176	34.0
153.09036	5.6
155.08528	3.2
157.10063	20.3
159.07980	4.6
159.11624	47.9
161.09575	15.5
161.13208	27.0
163.11104	5.4
163.14783	26.3
165.09081	20.1
169.10085	4.6
171.11644	14.5
173.13185	38.2
175.11133	9.2
175.14742	37.0
177.12730	5.3
177.16371	20.8
183.11664	5.2
184.12479	2.7
184.48819	2.8
185.13196	15.1
187.14748	96.3
189.12680	5.5
189.16316	81.2
191.14284	13.7
191.17902	20.9
197.13286	4.5
199.14705	20.9
201.12677	5.7
201.16318	60.5
203.14275	16.3
203.17859	40.4
205.15840	3.6
213.16266	22.7
215.14246	10.1
215.17810	29.7
217.15852	10.8
219.13721	12.8
225.16347	5.4
227.17935	9.5
229.15784	9.2
229.19469	9.9
231.17336	8.9
233.15289	10.8
235.16924	13.8
239.17917	3.7
241.19382	4.9
247.16783	6.0
249.18408	5.9
251.17793	3.3
253.19548	3.4
255.21040	3.2
261.18317	3.3
267.21082	4.1
275.19888	3.2
309.25616	4.1
381.78275	2.7
387.30276	4.4
405.31329	38.9
411.28674	28.1
418.01602	2.7
423.32397	79.9
425.33984	11.5
433.30841	5.6
451.31918	36.0
469.32938	99.4
527.26031	2.7
527.33478	21.5
555.32751	26.7
573.33997	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.46970	0.4
55.01852	0.6
55.05491	1.1
57.03420	3.1
61.02898	6.9
65.49419	0.4
67.05473	5.7
69.03403	3.7
69.07053	0.7
71.01344	0.6
73.02881	5.4
79.05468	4.6
81.03391	4.5
81.07027	5.1
85.02874	6.9
91.03920	4.1
91.05450	3.1
93.07014	5.6
95.04958	0.8
95.08583	5.7
96.85950	0.5
97.02851	6.8
99.04425	1.0
101.02312	1.9
105.07007	1.0
107.08569	2.2
109.02839	0.6
109.06480	0.7
109.10127	2.2
110.04105	0.4
119.08544	2.0
121.10126	2.1
127.03882	2.1
131.08540	0.9
135.11717	0.8
137.09680	0.7
165.09119	0.9
176.69580	0.5
184.07315	1.1
195.36337	0.5
208.46764	0.5
243.08432	3.0
255.11914	5.7
355.13104	0.5
375.18051	0.5
389.46271	0.5
465.34686	0.5
473.19785	7.4
474.88522	0.6
519.28973	11.2
742.38342	0.6
751.42072	100.0
752.42041	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	751.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35416	0.3
53.03931	0.6
55.01850	0.5
55.05488	1.5
56.34806	0.3
57.03424	3.1
59.04988	0.8
61.02906	6.6
65.86264	0.4
67.05483	5.1
69.03410	3.5
69.07059	0.5
71.04977	1.7
72.03886	0.3
73.02885	4.9
79.05457	5.0
81.03391	5.2
81.07027	4.6
83.08593	0.9
85.02885	5.6
86.09673	0.4
87.04443	0.9
87.79918	0.4
90.58532	0.4
91.03936	2.5
91.05445	4.7
93.07011	5.2
95.04936	2.7
95.08558	3.0
97.02868	7.8
97.06505	0.4
99.04470	0.7
101.02359	2.4
103.03896	0.6
105.06982	3.0
107.08591	2.0
109.02882	0.7
109.06518	0.5
109.10131	0.4
111.08083	0.5
116.06219	0.4
117.07017	0.7
118.75723	0.3
119.08567	1.4
121.10098	3.7
123.11683	0.4
127.03889	0.7
129.06946	0.5
131.08554	2.3
133.10121	0.8
136.74609	0.3
140.87747	0.4
145.10060	0.4
147.11681	1.5
149.09616	2.3
156.51086	0.4
157.10228	0.7
163.11258	0.5
175.11177	0.9
184.07378	0.7
185.04192	0.7
193.12187	1.4
207.13916	0.4
243.08296	2.8
252.36356	0.4
267.16013	0.5
283.15097	4.8
307.22623	0.8
339.17816	1.7
406.60052	0.4
437.30273	0.5
491.26129	6.8
501.22961	14.9
501.28513	0.5
751.42133	100.0
752.42572	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	15.0
57.03418	35.6
57.07061	94.0
61.02898	8.7
67.05477	76.3
69.07039	37.2
71.08598	45.0
71.70963	11.9
77.82773	8.9
79.05460	53.8
81.07038	73.3
83.08578	16.9
87.04436	18.3
91.04974	9.2
91.05428	77.2
92.09440	21.9
93.06998	64.0
95.08557	79.4
105.06998	100.0
107.08566	41.4
108.63378	8.9
109.10119	42.0
117.06961	35.2
119.08560	90.0
121.10104	19.0
129.06967	38.2
131.08537	21.2
133.10118	73.7
135.11584	11.2
143.08551	16.4
145.10071	22.4
147.11687	67.6
157.09979	9.4
159.11638	20.2
161.13170	20.9
171.11638	21.0
175.14803	13.2
185.13269	19.0
187.14867	10.9
221.17572	9.1
241.19417	18.7
248.28593	9.6
259.20532	81.9
313.27219	98.3
333.24142	15.0
421.68896	11.6
435.12500	10.1
508.62830	9.6
513.60107	10.4
571.47131	13.7
589.47742	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	13.0
55.02097	3.0
55.05497	21.8
57.03419	23.2
57.07061	65.9
59.04970	3.3
61.02892	5.9
67.05479	44.2
69.03423	3.2
69.07037	14.2
71.01328	3.3
71.04958	5.9
71.08601	41.1
79.05472	33.3
81.03397	45.8
81.07034	53.2
83.01282	2.9
83.04938	17.6
83.08590	25.4
85.02874	13.7
85.06496	4.4
85.10153	29.5
86.09676	6.0
87.04436	4.3
89.05990	3.4
91.05454	25.8
93.06992	37.8
95.04932	10.8
95.08584	37.9
97.02842	16.9
97.06493	14.4
97.10144	6.6
99.04404	4.3
105.07000	14.3
107.04906	27.8
107.08580	19.2
109.06479	10.5
109.10123	10.4
111.04404	34.1
117.06971	17.7
119.08540	18.3
121.06454	14.2
121.10110	13.4
123.08023	3.6
124.99962	4.3
125.05935	4.1
129.06972	4.3
131.08502	12.0
135.08018	4.0
135.11621	22.9
145.06424	3.2
145.10078	29.4
147.08060	5.2
149.09528	3.1
153.12709	11.4
163.11139	36.8
173.09621	13.4
181.12260	5.5
184.07274	12.2
191.10587	13.7
209.11661	12.4
223.13162	28.9
236.29346	2.7
241.14279	32.5
265.14319	12.7
283.15250	20.4
295.07233	3.2
313.27277	97.0
315.17932	50.7
315.98578	2.9
480.20319	3.2
503.36847	14.9
521.30847	5.2
521.38220	100.0
526.12488	2.9
553.40784	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.05500	4.7
57.03425	4.3
57.07063	2.2
58.65166	0.9
60.85135	0.8
61.02909	5.4
64.32501	1.0
67.05479	11.0
67.43729	0.9
67.64743	0.9
69.03403	4.3
69.07034	1.7
71.04977	5.4
71.08588	1.2
73.02898	5.6
79.05448	8.2
81.03401	7.4
81.07038	7.2
83.08615	2.3
85.02904	7.3
86.09715	1.8
89.30206	0.9
91.03933	1.9
91.05460	5.2
93.07044	5.5
95.08604	5.5
97.02863	2.2
99.04457	1.4
101.02415	1.0
105.07010	2.5
107.08574	2.2
109.02780	1.1
109.10152	5.8
111.04444	1.0
119.08554	4.0
121.10175	1.7
125.00011	1.4
127.03880	1.5
135.11658	1.2
177.86917	1.0
184.07343	6.9
193.12357	1.7
195.00235	12.1
197.62875	1.1
243.08316	1.9
471.22028	6.7
519.29279	5.3
520.37360	1.2
577.40674	6.9
615.41528	1.1
699.37756	7.0
749.44214	100.0
750.44086	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01854	2.2
55.05490	33.8
57.03416	27.0
57.07060	14.8
61.02912	5.5
61.15593	1.3
67.05474	37.4
68.23209	1.4
69.03387	3.2
69.07038	36.7
71.04961	2.1
71.08600	6.8
73.02906	2.0
77.39671	1.4
79.05460	28.0
81.03381	100.0
81.07023	38.3
83.04935	8.3
83.08582	43.7
85.02865	2.6
85.06515	1.5
86.09668	7.6
87.04421	3.5
91.03903	2.3
91.05440	24.3
92.08701	6.0
93.07003	24.4
95.04932	29.4
95.08566	31.9
97.02835	8.6
97.06487	7.3
97.10121	18.4
105.06992	17.0
107.04919	7.9
107.08551	12.5
109.06460	2.9
109.10143	11.1
111.04379	1.9
111.08044	6.6
111.11658	1.9
115.05394	1.5
117.06973	2.3
119.08523	15.9
120.08866	1.7
121.06445	3.3
121.10089	19.4
123.07990	2.2
123.11665	3.4
124.99953	2.9
129.06944	10.0
131.08516	10.0
133.06459	2.6
133.10088	6.5
135.11624	13.6
137.09599	1.6
137.13225	2.1
147.08006	2.5
147.11603	12.9
149.09572	9.3
149.13220	7.5
157.10034	11.7
158.24664	1.5
161.23721	1.5
175.11131	10.5
184.07268	12.9
193.12163	27.9
195.00243	7.5
211.13240	2.0
252.52740	2.0
267.15784	90.3
268.16144	2.3
286.90021	1.5
311.25668	74.2
313.27057	2.2
503.37091	71.6
521.38251	13.2
543.77313	1.8
749.44226	13.0
750.44666	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	749.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05495	4.5
57.03415	5.1
57.07058	5.0
61.02901	6.6
67.05477	12.1
67.70631	0.8
69.03410	4.8
69.07050	4.0
71.04947	1.8
71.08611	1.6
73.02891	6.8
73.92258	0.8
79.05477	5.5
81.03387	8.9
81.07022	10.4
83.04980	1.2
83.08598	2.1
85.02870	6.8
85.10151	1.1
86.09699	1.9
91.03928	3.5
91.05465	6.0
92.62531	1.0
93.07005	6.5
95.04955	1.3
95.08571	6.6
97.02868	7.0
97.06500	1.0
101.02344	1.4
105.06989	4.0
107.08597	3.8
109.02898	0.9
109.06541	1.5
109.10133	5.3
119.08546	3.9
121.10126	1.7
123.11627	1.1
124.99961	1.6
127.03851	1.0
131.08511	3.3
131.19006	0.9
133.10144	1.6
135.11612	1.4
137.09581	1.4
145.10139	1.5
184.07310	3.8
187.71768	0.9
193.12204	3.5
195.00200	6.9
243.08290	1.9
253.14067	1.1
267.15866	3.3
313.27344	3.3
358.51031	1.2
395.90717	1.0
457.19095	0.9
471.22073	5.2
519.29248	5.6
523.39587	1.8
577.40332	1.3
699.38147	4.5
749.44177	100.0
750.43970	3.5
771.89697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
54.37346	0.3
54.81601	0.3
55.05491	1.8
57.03425	3.2
57.07066	1.5
61.02903	5.8
67.05482	6.4
69.03407	3.8
69.07042	1.7
71.04972	2.0
71.08602	0.8
73.02884	5.2
74.56316	0.3
76.19204	0.4
79.05464	3.7
81.03386	3.5
81.07029	5.6
83.04967	0.6
83.08583	0.5
85.02856	5.0
85.33144	0.3
85.98691	0.4
86.09689	0.9
87.04456	0.7
91.03915	3.1
91.05432	2.6
92.08685	1.4
93.06993	4.6
95.04921	1.6
95.08565	4.3
97.02859	4.8
97.06445	0.6
99.04433	0.9
101.02351	0.8
105.07012	1.8
107.08585	2.8
109.02858	0.5
109.10123	2.8
110.10778	0.4
115.03889	0.5
117.06903	0.4
119.08564	2.0
121.03677	0.4
121.10092	1.7
123.11681	0.4
124.99957	0.5
127.03932	0.8
131.08524	0.5
133.10112	0.5
135.11658	0.8
137.09599	0.5
145.10190	0.4
184.07365	2.3
185.04214	0.4
195.00243	3.7
243.08354	2.1
253.14014	1.4
313.27243	0.7
324.29480	0.4
471.21884	4.5
496.81528	0.4
505.39209	1.7
519.29163	7.0
577.40338	1.9
690.53619	0.4
699.37927	1.6
707.76514	0.5
749.44232	100.0
750.44586	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	749.407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80839	0.9
55.01861	1.1
55.05493	6.9
55.72112	0.9
57.03420	9.4
57.07053	1.7
60.08142	1.6
61.02901	8.9
67.05483	17.8
68.05795	1.3
69.03407	5.1
69.07042	5.7
69.74150	0.9
73.02888	5.8
79.05462	11.9
79.17101	1.0
81.03397	16.1
81.07028	14.1
83.08581	4.6
84.32226	0.9
85.02866	9.9
86.09663	10.6
90.05666	1.2
91.03912	5.0
91.05457	10.6
93.07016	11.2
95.04919	2.3
95.08573	9.8
97.02838	10.2
98.98400	1.1
101.02322	2.0
105.06982	4.9
107.08556	5.7
109.02858	1.3
109.10136	4.3
110.31300	1.1
117.07005	1.8
119.08520	4.0
121.10060	2.5
124.99974	10.6
129.06921	1.3
129.86839	1.1
131.08516	1.7
133.10104	4.7
135.08035	2.1
135.11642	1.5
137.09523	1.3
157.10114	1.2
176.68303	1.0
176.69893	1.1
184.07306	22.1
185.07578	2.0
193.12219	2.4
195.00233	4.6
253.10411	6.5
267.15820	11.8
268.16199	1.6
285.92917	1.1
309.24118	7.5
313.27292	1.3
408.02551	1.2
471.18478	4.4
487.33679	1.3
501.35443	4.5
502.35834	2.3
519.29108	5.9
519.36658	3.9
520.36499	2.6
731.36871	1.2
748.42969	16.7
749.40826	100.0
750.41467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	23.6
57.03392	12.5
57.07067	88.3
65.25800	8.8
65.49968	8.9
67.05468	44.7
69.07011	19.4
71.08590	69.8
76.79277	11.5
79.05449	46.7
81.07014	76.2
81.22042	11.4
83.08574	27.0
84.92307	11.2
85.10150	27.2
91.05409	27.2
92.08720	22.4
93.06982	42.9
95.08537	48.0
95.20271	10.4
105.06979	22.8
109.10124	22.8
124.60594	12.7
125.07169	10.7
243.60725	11.6
313.27264	25.1
341.30756	13.7
507.40216	92.4
589.47919	100.0
607.48334	14.8
610.26379	11.4
630.41113	42.9
678.53082	14.3
730.78308	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	748.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32140	0.6
52.72873	0.6
53.03925	1.6
55.01863	5.4
58.95965	0.6
65.03924	6.8
67.05467	3.3
69.03407	1.4
75.04435	4.1
78.04681	3.0
79.05463	9.6
81.03374	3.2
81.07029	1.0
82.04160	3.3
83.04976	0.6
84.77522	0.7
85.02871	7.8
89.03886	1.2
89.29503	0.6
91.05450	16.2
93.03376	7.7
93.06997	4.8
95.04938	9.8
97.06474	5.1
103.04759	1.3
103.05432	31.9
105.03361	1.3
105.06987	12.6
106.04147	19.4
107.04921	18.7
109.02824	0.7
109.06493	3.7
110.03622	3.3
111.04396	5.1
115.05434	9.2
117.03339	0.8
117.06975	5.8
118.04110	7.8
119.04888	4.3
119.08546	1.0
120.05651	0.7
121.06463	22.3
123.04373	7.1
124.05176	4.3
125.05953	10.3
128.06158	0.8
129.06952	1.5
130.04074	3.4
131.04880	32.0
131.08517	1.3
132.05652	4.0
133.02803	3.9
133.06441	14.7
134.03569	4.6
135.04369	3.3
135.08011	2.9
137.05965	11.6
138.03081	1.4
138.06625	0.9
139.07547	1.4
142.02565	1.7
143.04900	1.3
144.05702	5.0
145.02791	1.3
145.06453	12.1
146.03561	1.2
146.07211	1.0
147.04338	3.3
147.08000	3.3
148.05144	18.1
148.50031	0.8
149.05934	37.2
151.02083	1.1
151.03900	6.2
151.07471	2.4
152.04619	2.9
153.05424	7.6
153.09056	8.9
157.06436	1.2
159.04332	1.6
159.07962	1.5
160.05138	1.0
161.05936	16.3
162.01285	3.8
162.06706	1.3
163.03822	4.1
163.07484	36.0
165.05405	3.9
167.06981	94.0
168.07367	3.0
171.06485	7.9
172.05124	0.7
173.05936	8.6
175.07454	6.1
176.04684	5.4
177.05414	18.8
177.06825	0.9
177.08946	1.0
179.01614	1.1
179.06917	0.7
181.04893	100.0
181.08450	12.8
182.05280	0.8
185.05807	1.2
187.07494	4.3
189.05418	1.1
190.00783	2.7
190.06158	2.5
191.06972	97.7
192.07664	3.1
193.04991	1.1
193.08519	4.3
194.07291	1.1
195.04784	0.7
195.06462	3.9
195.08031	1.1
197.08136	2.4
201.05325	1.1
203.06970	3.7
205.06631	1.8
205.08566	6.0
207.06427	2.3
207.08127	0.8
207.10204	0.9
208.01825	1.6
209.08032	56.4
217.08688	2.2
219.10120	4.4
221.08096	1.0
223.04164	22.1
225.07458	1.0
229.08719	0.8
233.07974	6.5
234.06468	0.9
235.07468	2.9
235.09560	4.7
236.08095	0.8
245.08122	0.8
249.05434	0.7
252.07590	1.6
263.06616	1.1
263.09100	18.3
264.07495	0.8
265.08316	1.1
267.09976	5.7
271.09610	1.2
277.08319	1.2
280.07233	1.0
287.12686	0.7
293.07816	0.9
295.09564	0.9
297.10953	1.4
307.09396	1.1
312.09006	1.1
325.10474	3.4
327.12146	1.0
337.10837	0.8
357.13269	5.4
367.11719	0.9
385.12634	11.2
386.12689	0.8
387.14044	3.2
388.14352	0.9
399.14169	2.7
417.10287	1.2
417.15311	16.9
609.22748	0.8
748.23425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03438	1.8
57.07074	1.7
61.02912	2.8
67.05503	5.2
69.03410	2.1
69.07031	2.4
71.08634	1.7
73.02905	2.1
79.05477	2.1
81.03403	2.7
81.07056	7.0
83.08533	1.8
85.02888	3.4
91.03900	1.8
91.05473	1.9
93.07026	2.5
95.08582	3.1
97.02865	3.2
105.07003	1.8
111.26241	1.9
119.08568	2.0
127.03883	1.6
155.69188	1.6
184.07312	3.7
195.00233	2.0
205.03438	1.5
242.84299	1.8
278.70673	2.0
293.50555	2.1
467.18875	6.6
473.22540	1.7
521.30695	2.5
747.42596	100.0
748.43188	3.5
775.97418	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.1
55.05491	1.9
57.03411	1.6
57.07064	0.9
57.27557	0.7
59.23013	0.8
61.02905	7.2
67.05479	8.0
69.03404	3.7
69.07030	4.4
70.17983	1.0
70.39088	0.7
71.01303	0.9
71.04939	1.0
73.02892	6.6
79.05457	3.1
81.03410	2.8
81.07012	7.4
83.08603	1.7
85.02875	7.2
86.09692	4.5
91.03917	4.6
91.05443	1.5
91.12225	0.9
93.07038	5.0
95.04919	1.2
95.08572	5.9
97.02851	7.4
99.04392	1.0
101.02323	1.3
105.07024	1.0
107.08546	3.4
109.10146	3.4
114.57530	0.8
119.08564	1.5
119.28424	0.9
121.10171	1.2
123.08096	1.0
124.99987	3.6
127.03906	1.1
135.11726	0.9
141.79370	0.9
147.00247	0.8
163.11127	1.1
184.07237	7.1
192.57886	0.9
195.00293	1.1
242.90984	0.9
243.08453	1.3
251.90616	1.0
265.57358	1.2
467.18988	4.0
469.20270	1.1
521.30914	5.2
575.39313	1.8
737.07971	1.1
747.42578	100.0
748.42896	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	747.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80711	1.7
61.77225	1.6
65.55554	1.5
67.05486	2.4
69.07063	2.2
75.63478	1.5
79.05475	2.1
81.03388	2.3
81.07021	2.2
85.10175	1.8
86.09704	1.7
91.05445	1.9
92.08718	3.1
95.08597	2.5
177.11403	2.5
184.07381	2.9
213.02357	1.8
264.46326	1.7
417.01923	1.7
427.57190	1.6
511.84384	1.7
746.42432	1.8
747.40839	100.0
748.41113	2.1
751.09930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05486	1.3
57.03417	3.4
58.29120	0.4
59.70513	0.5
61.02903	7.5
65.23653	0.4
67.05489	5.7
68.08004	0.4
69.03400	3.5
69.07037	1.0
71.04966	0.7
73.02883	5.5
79.05453	4.4
80.61517	0.4
81.03390	2.2
81.07026	5.3
83.08610	0.7
85.02873	7.3
89.14373	0.5
91.03931	3.7
91.05460	2.8
93.07011	4.7
95.04925	1.0
95.08579	4.8
97.02847	6.0
97.37381	0.6
99.04425	0.9
101.02351	2.1
105.06993	1.9
107.08570	2.1
109.02866	0.8
109.10098	0.7
119.08549	1.3
121.10110	2.4
127.03909	2.0
131.08546	1.0
133.10115	0.9
184.07306	2.1
199.35034	0.5
243.08395	2.4
251.12498	0.8
469.20026	4.5
519.29114	6.7
545.95178	0.7
639.05499	0.6
693.06342	0.6
747.42609	100.0
748.42761	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	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.9
53.08638	0.3
55.01868	0.4
55.05496	2.6
57.03411	2.2
57.07069	0.4
61.02905	7.0
67.05489	6.0
69.03403	3.2
69.07041	2.0
70.18847	0.4
73.02570	0.3
73.02887	4.4
73.06564	0.4
78.24783	0.5
79.05475	4.5
81.03378	4.4
81.07023	5.6
83.08608	2.0
85.02874	6.4
86.09702	0.6
87.70864	0.4
91.03923	3.5
91.05452	2.7
92.09351	1.3
93.07024	4.9
95.04927	0.9
95.08572	4.0
97.02851	6.3
97.10178	0.4
99.04438	1.0
101.02353	2.0
103.03851	0.7
105.06988	1.9
107.08594	2.0
109.02882	0.4
109.10143	1.9
115.03841	0.5
117.07030	0.5
119.08578	2.2
121.10129	2.6
124.99976	0.6
127.03865	1.6
131.08521	0.5
133.10103	0.6
133.37814	0.4
135.11707	0.8
147.11703	0.6
149.13217	0.4
150.12323	0.5
157.10069	0.6
193.12248	2.3
195.00253	6.4
211.13329	0.7
243.08423	2.0
249.50734	0.4
251.12488	5.6
251.52341	0.5
323.18106	0.5
335.25552	0.7
469.20264	5.5
519.29034	8.5
525.35706	1.7
575.39050	2.7
697.36688	5.0
746.41779	1.0
747.42609	100.0
748.43073	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	747.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.5
55.05497	16.6
57.03408	1.8
57.07050	3.1
61.02898	3.1
64.32519	1.3
67.05478	12.6
68.70177	1.1
69.07038	11.0
71.08575	1.5
73.02885	2.7
79.05457	10.1
81.03371	13.5
81.07032	13.1
82.07369	1.9
83.08588	9.6
85.02887	5.6
86.09682	2.2
89.05962	2.2
91.05451	8.3
91.55555	1.3
92.09357	3.5
93.06993	11.7
95.04923	5.7
95.08580	8.0
97.02892	1.7
97.10147	6.8
99.77058	1.1
105.07001	2.8
107.04901	1.6
107.08554	3.0
109.10104	4.9
115.03667	2.3
119.08567	5.7
121.10139	5.3
129.06891	1.4
131.08589	1.8
133.10124	1.6
142.07780	1.3
147.11676	3.0
149.09593	1.9
176.99216	5.4
177.49393	1.2
184.07236	9.2
193.12154	1.7
195.00238	100.0
323.18222	6.2
469.20187	3.1
503.37143	1.7
519.28925	2.5
523.42261	1.4
525.35352	22.1
575.38947	49.2
602.19165	1.7
697.36591	64.9
746.41351	13.5
747.42108	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.7
54.06943	0.7
55.05495	13.4
55.92225	0.7
57.03429	1.1
57.07054	1.9
59.04977	1.4
59.24741	0.7
60.08123	1.2
62.33145	0.8
67.05488	7.9
69.07044	11.2
71.04968	1.7
71.08607	1.9
79.05466	7.3
81.03394	12.4
81.07015	5.5
83.08593	7.8
85.02887	0.9
85.10133	1.0
86.09669	5.0
89.05976	4.2
91.05428	6.8
92.09318	1.0
93.07021	7.5
95.04943	4.3
95.08558	4.1
97.06494	1.1
97.10125	5.5
105.06961	5.7
107.08562	3.3
109.10129	0.9
111.11691	1.3
115.03660	4.4
119.08515	1.2
121.10061	1.6
124.99945	2.1
129.06949	1.3
131.08522	2.1
133.10095	1.7
135.11653	1.0
145.10106	0.9
147.11676	1.4
149.09547	1.1
176.99173	6.8
184.07335	7.9
187.49838	0.8
193.12160	1.0
195.00247	100.0
271.79807	0.9
283.76938	0.9
311.25769	0.9
323.18256	8.5
349.36377	0.9
437.22388	0.9
496.25082	0.9
503.36954	1.5
525.35303	25.2
575.30212	1.7
575.38995	48.3
593.39392	1.6
697.36627	63.3
746.40326	1.4
747.41156	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.4
54.81253	0.3
55.01855	3.3
58.93063	0.3
59.26333	0.2
65.03886	0.3
67.17199	0.3
68.99747	1.7
69.03378	0.7
72.75738	0.3
79.05436	1.9
81.02628	0.5
81.03362	1.4
81.07006	0.3
85.02861	0.5
91.05407	1.4
92.63428	0.3
93.07002	5.6
95.04915	0.7
97.02829	0.6
103.05384	0.7
105.06956	0.4
107.04908	1.3
107.08504	0.8
109.02805	1.5
111.04404	0.4
117.06979	0.4
119.04916	0.4
119.08521	0.5
121.02814	2.6
121.10104	5.2
123.04375	0.4
125.55817	0.3
131.04845	0.5
131.08540	0.4
135.04327	3.8
137.02290	13.4
137.05901	1.7
141.01738	2.1
145.10164	0.4
147.04327	1.6
149.02299	1.5
149.09549	1.4
151.03792	0.6
153.01721	0.4
161.02264	4.4
163.03859	3.9
165.01768	10.0
167.03355	3.5
167.06970	1.8
169.02678	0.5
175.03815	1.7
177.01704	1.7
177.05363	0.7
179.03329	4.0
181.04893	2.2
183.02838	6.5
187.03868	0.8
189.05431	0.4
191.03329	1.5
193.04843	0.7
195.02805	2.8
197.04327	0.4
203.03342	5.1
207.02835	1.1
221.04373	2.4
229.04907	0.7
231.02820	1.5
245.04330	2.2
249.03806	2.3
255.06288	1.0
265.03320	0.4
269.07819	0.5
271.05905	0.5
272.06497	0.6
283.05911	9.3
286.04504	3.0
287.05356	7.7
289.03372	0.8
295.05875	4.0
297.04663	0.4
297.07458	14.0
299.05399	100.0
300.06134	9.8
301.06827	0.6
306.39386	0.4
307.05756	0.4
309.07483	5.8
311.05389	16.7
311.14795	0.5
313.03467	0.9
313.06931	17.0
319.05933	0.5
321.07440	2.5
323.05344	5.9
324.06009	0.7
325.06927	41.6
326.07352	0.7
327.04987	0.6
327.08514	5.7
329.06430	57.6
330.06641	0.6
336.06223	0.6
337.06937	44.6
338.07352	0.6
339.04865	1.2
341.06436	10.1
347.05325	0.4
353.06424	59.2
354.06793	0.6
355.07925	5.0
359.07584	0.5
365.06421	43.8
366.06723	0.7
383.07471	62.9
384.07730	0.8
389.89987	0.4
401.08521	24.2
417.15417	0.4
419.09515	6.7
597.19061	0.5
609.19348	1.6
639.20288	5.5
663.20355	8.4
693.21533	20.0
694.22034	0.6
711.22571	22.7
712.22272	0.6
729.23578	13.6
747.24646	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	747.1521
Annotation	Bisisodiospyrin
Peak:m/z	Relative Intensity
52.70763	0.8
55.01870	1.0
55.54379	1.0
56.96551	1.3
67.05479	1.3
69.03429	1.7
75.00798	1.0
82.61860	1.0
85.02879	4.8
98.97572	2.2
99.73691	1.1
119.01898	1.5
119.04958	1.4
135.04395	2.2
145.02841	1.7
147.04399	4.5
158.99709	1.1
163.03854	12.1
163.93710	1.1
164.04309	1.6
167.07060	1.5
209.28648	1.1
239.04317	1.6
262.19272	1.1
295.05978	2.2
309.67136	1.2
315.62802	1.2
385.06207	1.9
565.14447	1.3
729.14337	2.6
746.13678	5.2
747.14935	100.0
748.14697	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10649	0.7
53.03926	1.2
56.07186	0.6
57.03406	0.6
59.81063	0.6
59.81367	0.5
61.63573	0.6
66.74786	0.5
67.05488	1.1
76.03179	0.8
78.14040	0.7
79.01815	2.8
79.05466	4.1
81.07037	0.8
82.31530	0.6
82.82957	0.6
85.02893	1.5
88.71678	0.6
91.05457	3.4
93.07020	10.9
95.04953	0.8
95.08511	0.7
97.02864	0.9
105.07007	1.1
106.39486	0.6
107.08556	3.0
109.02864	1.2
111.04402	0.7
119.08511	1.0
121.06496	0.9
121.10080	6.8
123.04420	0.8
127.03866	0.7
131.04878	0.8
131.08536	0.8
135.04413	2.4
137.02298	17.0
137.03322	1.1
137.05939	17.4
149.05936	0.9
149.09579	3.6
151.07591	0.8
161.02310	2.8
163.03906	2.6
165.01770	4.2
167.06972	3.3
179.03337	0.8
183.02864	3.1
199.03915	0.8
203.03278	1.4
205.01266	0.8
205.04825	5.5
207.02766	1.2
217.53696	0.6
229.04860	4.9
231.02757	1.6
243.06503	1.0
247.05891	3.4
249.03854	6.0
259.05981	1.2
271.05844	4.7
272.06641	5.5
287.05380	9.5
296.06628	0.8
299.05389	77.3
300.06149	47.9
301.06903	3.6
311.05371	20.9
311.14569	1.0
313.06934	38.3
321.07324	3.4
323.05524	2.8
324.06116	3.9
325.06937	11.1
327.04904	2.0
327.08524	10.2
329.06415	97.2
330.06815	1.1
337.06998	7.6
339.04855	2.8
340.05612	1.0
341.06409	11.0
343.07837	0.8
353.06415	52.8
354.06653	1.0
355.07919	8.6
359.07410	18.9
365.06378	6.4
371.07312	1.0
383.07446	100.0
384.07684	1.0
401.03125	1.1
401.08493	38.2
419.09561	74.1
531.89667	0.8
597.19403	18.6
639.20526	1.5
693.21277	0.7
711.22211	3.8
729.23596	45.8
730.24310	1.4
747.37317	1.6
779.84320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.6
55.05495	38.6
57.03403	25.2
57.07061	16.6
61.02897	8.2
67.05482	47.4
69.03388	7.7
69.07044	33.4
71.04945	6.9
71.08602	4.4
79.05456	26.1
81.03382	53.1
81.07031	45.6
83.04928	17.9
83.08581	48.7
85.02859	27.8
91.03981	3.5
91.05438	24.4
93.06991	26.7
95.04946	29.0
95.08570	34.8
97.10120	9.3
104.43951	3.1
105.06989	19.2
107.04908	6.6
107.08562	19.7
109.10101	8.7
111.08052	8.8
119.08516	30.6
121.10079	15.7
123.11638	6.7
129.06947	5.6
131.08488	8.4
141.43759	3.8
147.11629	5.9
150.52188	4.3
157.10054	9.1
175.11145	6.3
184.07259	19.0
193.12221	35.6
211.13234	42.7
267.15903	4.1
285.16849	54.4
339.28854	56.0
386.21991	3.8
425.90991	4.5
474.93280	4.7
531.40063	6.8
549.41290	100.0
554.52600	4.0
578.37506	4.0
619.37250	3.8
631.94794	4.3
745.43542	42.2
746.43158	61.6
747.41351	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	746.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.1
53.03925	4.5
54.80906	0.8
55.01846	4.1
55.05248	1.0
55.05496	23.5
55.26859	0.9
57.03151	1.6
57.03418	24.0
57.07059	4.6
59.34426	0.9
60.08136	4.7
61.02899	1.4
62.78804	0.8
67.05479	60.8
69.03392	2.0
69.07038	13.7
70.65080	0.9
71.04953	4.3
71.07350	1.6
79.05461	59.8
81.03384	100.0
81.07024	59.9
83.04942	7.5
83.08588	21.7
85.02854	1.5
85.06503	4.1
86.09677	25.5
91.04901	1.7
91.05445	43.6
93.07003	58.6
95.04928	34.0
95.07957	1.2
95.08567	33.7
97.02847	2.3
97.06499	6.2
97.10120	6.7
98.98408	1.3
99.08076	1.5
99.36823	0.9
104.10682	1.5
105.04469	1.3
105.06998	31.4
107.04925	8.7
107.08559	29.0
107.09300	1.2
109.06489	6.4
109.10107	16.4
109.59828	1.0
111.08053	8.0
115.05400	1.2
117.06981	11.1
119.08538	30.0
121.06431	5.0
121.10090	29.8
123.04382	1.2
123.08024	4.1
123.11668	5.8
124.99970	17.7
125.09582	5.2
127.57608	1.0
129.05481	1.0
129.06941	11.9
131.08519	27.9
133.06436	6.1
133.10086	19.9
135.08022	2.4
135.11641	20.5
137.09515	4.4
137.60564	0.9
143.08525	2.2
145.10078	12.6
147.08006	5.8
147.11644	15.2
149.09563	6.3
149.13197	8.4
151.11105	1.2
152.90155	1.0
157.10062	14.1
159.11646	11.5
161.13179	1.9
163.11172	2.0
165.12692	2.2
171.11597	2.4
173.13144	7.8
175.11136	9.8
175.14748	1.7
184.07272	55.2
185.09488	1.0
185.13249	4.2
187.14633	1.7
189.11090	1.1
193.12173	17.9
205.19440	1.5
211.13248	1.3
213.16454	1.2
215.17880	13.7
227.12660	4.8
231.17380	1.2
233.18877	12.3
257.18857	1.2
259.01285	1.0
267.15796	77.4
273.21869	3.8
307.22546	43.6
407.24411	1.5
407.29315	4.3
425.30389	7.3
428.46970	1.1
443.31622	1.3
481.32825	1.8
499.34003	42.5
517.35040	40.6
535.65991	1.0
541.35211	1.6
746.45203	4.0
759.82660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01853	3.5
55.05500	10.8
57.03418	14.3
57.07064	1.3
60.08128	0.6
61.02916	0.5
62.91389	0.5
65.03922	1.0
67.05484	45.4
69.03403	2.5
69.07047	14.7
71.04974	2.7
73.06520	0.8
79.05463	34.3
81.03389	100.0
81.07029	43.7
83.04942	5.2
83.08588	4.2
85.02882	2.6
85.06503	0.9
86.09670	5.6
89.59377	0.4
91.05450	30.6
93.07011	39.9
95.04923	7.8
95.08575	31.7
97.02869	2.5
97.06478	4.3
97.10142	1.3
99.08039	0.8
103.05431	0.6
105.07001	13.5
107.04942	2.6
107.08560	18.7
109.06483	3.5
109.10127	14.7
117.06973	8.4
119.08545	27.9
121.06477	6.7
121.10087	12.7
123.04382	2.8
123.08030	4.0
123.11652	1.4
124.99974	3.6
125.09602	0.8
128.06194	0.9
129.06985	3.0
131.08530	9.2
133.10101	7.3
135.08023	3.2
135.11681	6.6
137.09584	20.1
143.06967	2.7
143.08586	1.2
145.05009	0.7
145.06552	0.7
145.10101	6.2
147.08000	7.6
147.11674	4.6
149.09613	0.9
149.13225	5.6
155.08557	1.0
157.10083	2.2
159.11641	3.7
161.08252	0.6
161.09532	1.0
161.13283	4.1
161.14391	0.6
163.07466	0.9
163.11038	0.8
163.14716	1.2
165.09068	15.5
171.11545	0.8
173.13174	3.4
175.11211	0.6
175.14818	1.0
177.09073	0.6
184.07291	11.7
185.13237	1.2
187.14783	1.0
199.09612	1.0
199.14447	0.6
213.16266	0.6
231.10063	0.7
239.12703	39.8
243.21043	2.7
261.22070	8.2
281.13855	0.9
285.21936	0.8
301.25107	2.3
335.25702	40.3
336.25519	0.7
346.28796	0.6
385.86761	0.6
389.28433	1.0
407.29340	3.1
425.30676	3.9
426.07129	0.6
443.31296	0.8
481.32642	1.4
499.34058	30.4
500.34344	2.2
517.34979	25.4
518.35516	0.9
531.36420	0.8
541.35083	2.2
549.37506	0.8
583.37341	0.6
625.36713	0.9
746.42059	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.2
56.05012	0.8
57.03417	0.3
60.08142	8.4
66.56654	0.2
67.05472	1.0
69.89365	0.2
71.07346	3.6
79.05454	0.4
79.09125	0.2
81.07017	0.4
81.93699	0.2
83.04943	0.2
85.02879	0.2
86.09673	43.2
87.10004	0.3
89.04365	0.2
91.05472	0.7
93.07001	0.7
94.05258	0.2
95.08564	0.3
98.98439	3.3
104.10712	3.3
105.06993	0.3
119.08500	0.4
121.10111	0.2
124.99955	29.0
127.52692	0.2
133.10016	0.3
143.00972	0.8
184.07274	100.0
185.07634	0.5
215.46527	0.2
227.57449	0.2
271.37411	0.2
520.15991	0.2
523.88922	0.2
620.38855	0.2
651.71222	0.2
728.44781	13.5
729.44812	0.4
731.96680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62528	0.2
55.05492	0.2
55.41869	0.2
56.05012	0.4
58.06581	0.2
59.42462	0.2
59.67285	0.2
60.08141	7.1
63.92577	0.2
66.58788	0.2
67.05479	0.4
69.07041	0.2
71.07349	3.5
79.05441	0.4
81.03406	0.2
81.07012	0.3
86.09675	42.6
91.05418	0.3
92.08736	0.3
93.06993	0.2
95.08591	0.3
98.98434	3.9
104.10704	3.7
105.06973	0.2
107.08535	0.3
117.06966	0.3
119.08543	0.4
124.99956	30.4
132.93250	0.3
134.73985	0.2
143.00999	0.4
147.11636	0.2
161.50269	0.3
184.07277	100.0
185.07674	0.4
212.84152	0.2
223.41747	0.2
238.36455	0.2
259.63208	0.2
514.52942	0.2
521.70428	0.3
728.44714	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	745.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.51662	0.2
55.01855	0.3
55.05496	2.8
57.03418	3.9
57.07062	0.4
61.02904	7.4
65.03922	0.3
67.05480	8.5
69.03412	5.7
69.07040	2.4
71.01330	0.5
71.04955	0.5
73.02890	5.8
79.05460	6.3
81.03405	3.1
81.07024	8.0
83.04948	0.5
83.08581	2.1
85.02872	7.2
86.09692	0.4
87.04443	0.4
91.03918	4.3
91.05452	3.5
92.08584	0.6
93.07014	7.3
95.04944	0.6
95.08572	6.6
96.40134	0.3
97.02860	7.2
97.06499	0.4
97.10161	0.4
99.04437	1.9
101.02330	2.5
103.03901	0.4
105.07012	1.8
107.04948	0.5
107.08560	4.5
109.02860	1.2
109.10107	2.0
117.07013	0.6
119.08563	1.9
121.10065	2.3
123.11670	0.4
124.99953	0.5
127.03917	2.0
128.28130	0.2
131.08531	1.4
133.10130	0.6
135.11623	2.8
145.04892	0.5
145.10104	2.5
147.11673	0.6
158.68924	0.3
159.11606	0.5
163.11130	2.9
171.70377	0.3
175.79489	0.3
184.07257	2.0
185.04179	0.5
192.14801	0.3
201.09058	0.3
210.94606	0.3
227.12672	2.2
233.38773	0.4
243.08311	2.5
249.10884	15.2
305.13550	1.3
335.25595	0.7
467.18784	5.6
501.80325	0.3
503.38248	0.3
504.37076	0.4
505.37787	0.3
519.29126	8.6
546.38287	0.4
547.40393	0.4
638.31750	0.3
691.11340	0.3
741.18237	0.4
745.41064	100.0
746.41577	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	746.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70301	0.4
53.35562	0.4
55.01855	0.6
55.05494	3.1
56.96535	0.6
57.03411	2.4
59.04938	0.4
59.49900	0.4
61.02908	0.9
67.05472	2.7
67.53318	0.5
69.03404	6.0
71.01326	15.1
71.04964	3.5
72.67130	0.6
74.54491	0.5
79.05444	1.3
81.03379	2.0
83.04951	22.6
83.05450	0.8
85.02874	100.0
87.04453	0.9
88.77573	0.5
95.01292	4.8
95.04944	3.7
97.02850	2.8
97.06509	4.1
99.04417	2.1
107.04967	0.7
109.02840	0.8
111.04409	12.0
113.02360	3.5
113.05930	0.6
115.03931	0.7
115.16244	0.6
117.01842	1.2
119.04939	0.7
123.00760	0.8
123.04353	0.6
125.05978	2.0
127.03860	12.5
129.05414	1.0
135.04370	1.1
137.02277	1.9
139.03888	0.7
141.01787	29.8
151.03871	0.9
157.04938	4.1
163.03860	5.0
164.04286	0.7
171.06435	11.2
183.02802	3.5
189.07547	0.7
201.03885	12.3
261.05939	30.0
287.07596	0.7
311.07761	0.6
311.20587	0.5
389.10315	0.7
432.78354	0.6
502.53885	0.6
719.65186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05500	0.9
57.03418	3.1
60.26676	0.5
61.02901	8.5
67.05488	7.1
69.03404	4.2
69.07052	1.0
71.01351	0.6
73.02894	6.0
79.05459	4.2
81.03387	2.9
81.07030	5.4
83.08618	0.7
85.02875	5.8
87.84075	0.6
91.03911	4.9
91.05465	3.4
92.08620	0.7
93.07017	4.6
93.11760	0.6
95.04957	0.8
95.08563	4.7
97.02859	6.1
99.04395	1.0
101.02345	1.3
105.06981	1.2
107.08576	2.7
109.10124	1.2
119.08551	1.3
121.10152	1.1
127.03899	1.3
133.10106	0.7
135.11678	0.8
143.77754	0.5
145.10097	1.2
147.11671	0.7
159.11679	0.6
163.11208	0.8
185.04182	0.9
193.93900	0.6
243.08215	0.7
308.43756	0.7
323.01410	0.6
333.18140	0.8
467.18668	5.8
472.22690	0.6
495.20322	0.7
519.29102	7.9
573.38269	0.6
591.23639	0.6
626.08240	0.7
628.71674	0.7
745.41046	100.0
746.41364	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	745.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01863	0.5
55.05489	1.6
57.03406	1.8
61.02609	0.5
61.02906	6.5
65.76620	0.4
67.05479	3.4
69.03399	3.4
69.07063	0.7
71.04980	0.4
71.80625	0.3
73.02882	4.3
77.20522	0.3
79.05462	3.8
81.03375	3.1
81.07026	5.4
83.01298	0.4
83.04977	0.7
83.08583	1.5
85.02876	6.4
91.03922	3.8
91.05444	2.9
93.07013	4.4
95.04930	0.4
95.08566	2.4
96.76611	0.4
97.02867	4.4
99.04430	0.5
101.02351	2.2
101.94826	0.3
105.07001	1.9
107.08574	2.5
109.02843	0.6
109.06471	0.6
109.10146	0.9
110.38383	0.4
114.35816	0.4
115.03892	0.4
117.06996	0.8
119.08556	1.7
121.10114	1.6
123.08011	0.5
127.03880	0.7
135.11650	1.5
145.10065	1.4
160.68373	0.3
163.11169	2.2
180.42502	0.4
189.03398	0.5
214.48940	0.4
217.83838	0.5
243.08408	1.5
251.00558	0.5
283.15372	0.4
338.27679	0.4
467.18750	8.2
519.29053	4.0
548.39624	0.7
627.58405	0.4
703.91388	0.4
745.41064	100.0
746.41534	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	744.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82064	3.3
55.01854	16.0
55.05491	51.3
56.58480	2.7
57.03415	26.1
57.07051	9.9
61.02898	3.8
67.05484	39.3
69.07044	48.6
69.43304	4.0
71.04935	4.8
71.08607	5.3
79.05457	32.7
81.03382	7.0
81.07027	50.8
83.01316	17.3
83.04948	20.0
83.08595	40.9
85.02845	7.6
91.05444	22.4
92.08726	9.5
93.07011	39.4
95.04913	9.4
95.08564	41.7
97.02834	5.2
97.10138	18.9
105.07013	9.9
106.83089	3.8
107.04924	6.9
107.08556	20.8
109.06518	6.1
109.10123	20.6
111.11664	4.5
117.06952	8.2
119.08566	9.4
121.10098	22.5
123.08049	5.7
135.11662	18.8
145.10074	16.7
151.53859	4.0
163.11089	20.5
184.07251	7.5
209.11620	6.4
273.07968	4.6
283.15295	100.0
315.98447	4.2
339.28839	87.4
344.96213	5.0
460.79745	4.5
502.85977	4.2
547.39667	53.2
772.07092	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	744.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01855	0.7
55.05492	16.0
57.03416	8.2
57.07051	4.6
57.93126	0.7
59.04982	3.5
59.35376	0.7
61.02900	4.3
65.03914	1.6
67.05481	100.0
69.03402	1.8
69.06723	1.0
69.07049	13.5
71.04964	20.8
71.08593	1.1
73.02890	0.8
79.05460	37.9
81.03385	5.3
81.07023	43.0
83.04946	5.0
83.08578	8.8
83.79924	0.7
85.02863	4.6
85.06503	3.5
86.09698	1.4
89.92656	0.8
91.03923	0.9
91.05450	27.6
93.07010	47.0
95.04906	5.6
95.08569	35.7
97.02858	0.9
97.06491	5.2
97.10164	1.2
105.06992	11.2
107.08553	21.0
109.06494	1.6
109.10121	68.9
111.08018	4.0
117.06989	5.8
119.07737	1.3
119.08541	22.9
120.71302	0.7
121.06468	0.9
121.10098	16.2
123.11637	3.1
131.08534	9.0
133.10081	7.8
135.11646	14.7
137.09587	8.7
140.51344	0.8
145.10065	8.7
147.11649	6.1
148.11845	0.7
149.13222	1.7
151.20686	0.7
155.10623	1.7
157.10107	1.0
159.11615	3.3
161.13202	3.9
163.11189	1.4
163.14751	0.9
169.12125	1.0
173.11670	7.2
173.13127	2.5
181.12027	1.0
185.13220	0.8
219.17447	0.8
229.14273	1.0
255.15961	1.6
261.22125	3.2
287.18442	10.9
335.25662	20.1
361.27353	1.0
369.73672	0.9
471.34576	3.8
489.35544	76.1
490.35791	1.4
503.37701	1.1
505.38754	9.8
515.37054	9.3
547.39746	63.5
573.37396	1.8
745.40125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01860	1.2
55.05499	17.7
57.03416	12.7
57.07055	10.2
59.70247	1.3
61.02903	8.5
64.22648	1.4
67.05481	100.0
69.03398	2.3
69.07047	18.2
71.04962	18.3
71.08599	3.7
73.02892	1.5
74.19894	1.6
79.05465	39.8
81.03392	22.5
81.07030	52.1
83.04949	6.6
83.08601	12.9
85.02861	3.7
85.06503	1.9
85.10141	2.6
87.19035	1.6
90.71280	1.4
91.05447	30.7
93.07014	50.2
95.04938	8.5
95.08569	41.2
97.02848	2.2
97.06494	7.0
97.10138	3.3
105.07001	16.8
107.08554	23.7
109.10124	67.0
111.08061	2.9
117.06987	3.7
119.08570	18.8
120.96592	2.1
121.10114	19.8
123.11656	2.4
125.00014	1.5
129.06978	3.3
131.08524	10.0
133.10091	8.0
135.11667	12.7
137.09616	3.3
145.10069	7.0
147.11671	3.7
157.10013	2.0
159.11687	3.3
160.82903	1.6
161.13228	2.8
173.11661	3.5
184.07274	3.6
193.12248	6.9
221.94510	1.7
255.15691	2.4
287.18405	10.5
330.72949	1.6
335.25769	14.0
337.27121	2.1
471.34479	2.9
489.35620	57.9
505.38675	31.0
515.37201	6.3
547.39801	51.6
744.45251	2.8
745.39685	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	744.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.2
55.01857	2.1
55.05507	16.5
55.15977	1.1
56.17405	1.1
56.21250	1.4
57.03410	10.6
57.07045	8.3
59.04973	2.8
61.02909	4.6
65.03923	1.9
67.05482	100.0
67.64698	1.0
69.03380	1.6
69.07041	15.9
71.04958	23.6
71.08606	3.2
73.02850	1.2
73.64357	1.4
79.05013	1.7
79.05461	43.4
81.03384	12.9
81.06566	2.0
81.07027	46.0
83.04949	3.1
83.08579	12.8
85.02863	6.5
85.06532	2.8
85.10098	1.5
86.09653	3.3
91.03905	1.3
91.05447	27.7
93.07004	48.0
95.04920	7.8
95.08563	33.8
97.02804	2.0
97.06478	6.5
97.10119	2.3
99.08099	1.7
105.06990	13.6
107.08572	23.1
109.06490	1.9
109.10120	68.7
111.08041	2.5
117.06960	8.1
119.08546	23.5
121.10106	20.2
123.11636	3.2
124.99929	5.2
129.06912	2.3
131.08513	9.9
133.10091	6.4
135.11658	14.0
137.09599	9.9
139.11073	1.8
145.10086	13.7
147.11595	6.5
149.13222	2.6
159.11667	5.2
163.11198	1.7
173.11687	8.8
173.13129	3.1
184.07265	12.0
193.12109	2.4
195.00403	1.8
243.15804	2.2
255.15808	5.0
285.16782	2.0
287.18372	14.7
335.25674	15.9
339.20636	1.5
382.14105	1.4
388.00357	1.4
430.31058	1.4
450.14337	1.4
471.34415	2.1
489.35574	77.0
505.38641	18.7
515.36646	11.8
547.39795	69.1
573.37140	2.1
643.87244	1.6
745.40216	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	744.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.3
55.05497	3.1
56.05013	0.6
57.03405	1.9
60.07875	0.4
60.08141	7.9
66.60422	0.3
67.05479	7.5
69.03417	0.4
69.07030	2.8
71.04945	0.4
71.07351	3.7
79.05464	6.3
81.03381	1.4
81.07022	6.7
83.04946	1.7
83.08580	1.3
85.06481	0.4
86.09671	46.5
87.22211	0.3
91.05441	4.8
93.06998	9.5
94.45109	0.3
95.04882	0.6
95.08562	1.9
97.06483	1.9
97.10131	1.3
98.98418	3.2
104.10684	2.9
105.06989	2.7
107.08575	5.6
109.06454	0.7
109.10102	0.4
117.06965	1.9
119.08549	2.9
121.06442	0.5
121.10106	1.5
124.99954	34.4
129.06941	0.5
131.08510	0.7
133.10051	1.6
135.11639	5.1
138.36641	0.3
145.10056	1.6
147.11635	0.4
149.09520	0.6
159.11659	1.3
163.11131	0.6
181.12144	0.7
184.07271	100.0
185.07581	0.5
240.26744	1.7
255.15779	4.7
258.27731	1.5
269.17459	0.8
275.20016	0.7
345.23401	0.4
349.23666	0.6
365.37772	0.3
384.31125	0.3
435.26978	2.6
449.28897	8.1
529.34955	1.6
547.35944	0.4
614.49261	0.3
726.30927	0.6
726.43091	10.5
744.44037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.3
55.05497	3.1
56.05013	0.6
57.03405	1.9
60.07875	0.4
60.08141	7.9
66.60422	0.3
67.05479	7.5
69.03417	0.4
69.07030	2.8
71.04945	0.4
71.07351	3.7
79.05464	6.3
81.03381	1.4
81.07022	6.7
83.04946	1.7
83.08580	1.3
85.06481	0.4
86.09671	46.5
87.22211	0.3
91.05441	4.8
93.06998	9.5
94.45109	0.3
95.04882	0.6
95.08562	1.9
97.06483	1.9
97.10131	1.3
98.98418	3.2
104.10684	2.9
105.06989	2.7
107.08575	5.6
109.06454	0.7
109.10102	0.4
117.06965	1.9
119.08549	2.9
121.06442	0.5
121.10106	1.5
124.99954	34.4
129.06941	0.5
131.08510	0.7
133.10051	1.6
135.11639	5.1
138.36641	0.3
145.10056	1.6
147.11635	0.4
149.09520	0.6
159.11659	1.3
163.11131	0.6
181.12144	0.7
184.07271	100.0
185.07581	0.5
240.26744	1.7
255.15779	4.7
258.27731	1.5
269.17459	0.8
275.20016	0.7
345.23401	0.4
349.23666	0.6
365.37772	0.3
384.31125	0.3
435.26978	2.6
449.28897	8.1
529.34955	1.6
547.35944	0.4
614.49261	0.3
726.30927	0.6
726.43091	10.5
744.44037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.8
55.75355	0.3
56.04997	0.6
57.00858	0.3
57.03395	0.4
60.07874	0.4
60.08143	9.1
65.35903	0.3
67.05483	2.7
69.07030	0.6
71.07355	4.3
72.37451	0.3
79.05439	1.9
79.75919	0.3
81.03401	0.5
81.07011	2.3
83.08567	0.3
86.09673	45.6
89.67215	0.3
91.05426	1.8
92.08697	0.6
92.98081	0.3
93.06985	1.6
95.04911	0.4
95.08566	0.5
98.98431	4.3
100.65052	0.3
104.10709	3.3
105.06999	1.4
107.08558	1.5
109.10110	0.4
119.08535	0.5
121.10123	0.4
124.99956	34.0
131.08505	0.5
133.10091	0.8
135.11703	1.1
143.01028	0.5
145.10056	0.4
153.12639	0.4
165.27441	0.4
184.07275	100.0
185.07626	0.5
365.73358	0.4
449.28549	0.5
529.35083	0.5
726.42737	0.7
744.44171	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	744.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80927	0.3
55.05483	1.5
56.04992	0.4
57.03405	0.6
60.08142	9.2
60.82572	0.2
67.05210	0.2
67.05483	4.0
69.03397	0.3
69.07027	1.8
71.07344	4.4
79.05460	3.0
81.03365	0.4
81.07030	2.9
83.04942	0.5
83.08583	0.4
85.14934	0.3
86.09676	48.7
87.09999	0.3
91.05435	2.1
92.09356	0.6
92.82428	0.3
93.07008	4.1
95.04927	0.6
95.08563	1.7
97.06519	0.4
98.98428	3.7
104.10693	3.7
105.06997	1.7
107.08569	2.4
109.10087	1.0
117.06955	0.5
119.08541	0.5
121.10078	1.2
124.99960	35.5
131.08553	0.4
133.10060	0.6
135.11633	2.3
136.78467	0.3
143.00961	0.3
145.10109	0.5
154.96921	0.3
159.11650	0.3
184.07280	100.0
240.26729	0.4
255.15744	2.3
258.27786	0.5
269.17297	0.5
275.19888	0.4
296.53900	0.3
349.23471	0.3
435.27338	0.5
449.28812	3.2
547.35272	0.4
726.42999	10.4
736.73596	0.3
744.42853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27246	0.2
55.05483	0.4
55.61560	0.2
56.05015	0.4
57.99773	0.2
58.06580	0.5
60.08139	8.0
64.32520	0.2
67.05474	1.4
71.07343	5.0
79.05448	0.6
81.07009	1.2
82.47128	0.3
86.09674	48.3
87.10048	0.3
95.08574	0.5
98.98429	3.9
104.10697	3.2
105.06965	0.4
124.99957	36.5
143.00981	0.3
145.39151	0.3
166.89844	0.3
184.07275	100.0
185.07669	0.5
231.08263	0.3
254.28313	1.3
272.29413	0.5
404.46729	0.3
465.13849	0.3
726.31287	0.4
726.43170	11.8
744.43872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.6
56.18338	1.8
57.03422	2.6
61.02901	8.8
67.05498	15.6
69.03394	3.8
71.04958	1.9
73.02888	8.1
73.05965	1.7
79.05469	7.2
81.03374	8.5
81.07029	3.3
85.02864	11.8
85.80288	1.7
86.89487	1.7
91.03933	7.0
91.05419	2.4
93.06990	3.1
95.08557	2.1
97.02844	9.2
102.07106	2.2
105.07009	3.8
107.08552	2.9
109.10122	12.3
119.08544	4.0
121.10031	2.5
135.11690	2.1
144.37131	2.3
145.10115	2.0
163.11148	2.5
173.11655	2.1
186.18599	1.9
236.31755	1.8
243.08354	3.7
413.17776	15.2
413.75366	2.2
467.18515	19.3
591.15509	2.2
639.29749	100.0
640.29572	4.3
743.35687	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.3
56.05009	0.3
57.03401	0.3
58.06556	0.3
60.08142	8.7
61.17152	0.2
64.32266	0.3
65.84847	0.2
67.05467	1.3
69.07018	0.3
71.07344	5.0
79.05467	0.5
81.03368	0.3
81.07018	1.5
86.09671	46.6
91.05432	0.6
93.07014	1.1
95.08566	0.4
98.87242	0.2
98.98418	3.3
104.10703	3.1
105.07021	0.5
107.08540	0.5
109.36807	0.2
119.01839	0.3
119.08487	0.3
124.99954	32.2
143.00948	0.4
184.07269	100.0
185.07465	0.4
208.18259	0.3
211.67938	0.3
367.09207	0.3
467.36292	0.3
719.04333	0.3
744.44153	11.1
771.82086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.3
64.32716	1.1
67.05481	1.9
67.40615	1.0
69.59944	1.1
79.05442	1.3
81.07000	1.5
90.25635	1.1
120.73689	1.1
139.35420	1.3
194.12790	1.2
264.23511	1.1
267.09018	1.8
285.10095	2.3
383.01358	1.1
564.10687	1.2
743.32220	100.0
744.32245	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	743.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80685	1.3
55.01847	3.4
56.96549	2.0
61.02898	1.9
69.03392	8.6
73.02886	1.8
81.03384	3.4
85.02878	16.7
85.11323	1.8
86.04620	1.6
87.04398	1.9
88.75025	1.6
90.13873	1.6
90.25882	1.5
91.05397	2.0
92.08608	2.2
93.03358	2.5
95.04950	1.8
95.72712	1.4
97.02872	8.4
107.04915	2.9
109.02834	3.6
111.04405	6.4
111.57507	1.8
119.04896	2.9
127.03876	3.5
135.04393	13.5
137.02315	41.7
137.03343	2.6
145.02834	3.3
147.04396	11.5
149.05870	1.8
159.04285	1.6
161.02229	6.1
161.05838	2.0
163.03844	15.7
167.62744	1.6
175.03845	2.4
177.05380	8.4
179.03310	9.6
187.03847	3.5
189.01778	6.9
191.03369	6.8
195.02835	6.7
199.03896	3.1
201.01686	1.9
203.03358	18.7
205.04799	2.9
207.02762	11.3
215.03232	3.1
217.04924	7.2
219.02827	6.7
221.04146	3.4
221.05977	6.7
223.07486	2.9
231.02866	2.6
233.04265	3.9
241.04845	2.2
243.02844	3.4
245.04472	2.7
249.05435	1.9
251.06876	1.7
261.03766	1.7
267.06375	3.2
271.05814	2.0
273.03781	2.4
279.06198	1.9
280.06711	2.4
281.07526	2.5
284.06433	1.8
295.05872	25.8
296.06332	11.0
297.07465	7.4
299.05341	10.2
305.04324	2.0
309.07404	6.8
310.04553	19.0
311.05402	100.0
311.08884	3.9
312.05981	8.1
313.07007	13.3
313.49945	1.7
321.07446	2.0
323.05399	56.3
323.08942	3.0
324.06168	19.4
325.06973	22.3
329.06387	8.7
333.07535	2.9
335.05313	7.7
336.06097	11.4
337.06918	64.7
338.07623	9.6
339.04800	3.1
339.08463	11.6
341.06430	76.1
341.10327	3.5
345.07452	3.6
349.06937	28.4
350.07858	2.0
351.08484	31.9
352.05533	3.7
353.06454	57.0
355.07990	6.2
361.06985	14.9
363.08493	9.2
365.03006	2.9
365.06421	73.1
365.10007	2.6
367.08051	30.8
371.07327	3.6
375.08466	7.3
377.06314	33.5
377.10257	2.0
379.07886	35.3
383.07635	12.7
387.08377	1.9
389.06287	21.2
391.08102	15.6
395.07516	64.5
403.07626	8.6
407.02158	3.5
407.07465	88.5
409.09320	2.7
417.09641	2.7
419.07593	20.9
421.09006	3.6
425.08502	43.5
431.07645	14.5
433.09061	7.1
437.08884	11.5
443.09720	23.0
445.08878	2.5
449.08536	19.4
455.09430	2.0
461.08810	11.3
463.09814	2.2
473.09576	9.3
479.09497	8.6
491.09818	3.6
497.10431	16.4
509.10641	8.0
515.11414	8.9
527.11835	37.8
545.12305	9.7
557.12781	8.8
563.13367	11.0
569.12427	2.3
587.13794	27.5
587.22107	2.9
605.05627	3.3
605.14801	60.6
623.15393	3.0
635.15607	3.7
653.16583	6.6
659.15979	21.2
671.15411	3.6
677.16956	18.9
689.16907	61.2
707.18103	34.0
725.18671	18.5
743.19379	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	743.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	1.5
56.96535	0.8
57.03417	1.5
64.25481	1.0
65.03901	1.2
67.05453	0.9
69.03388	4.0
70.06557	1.1
83.04949	5.1
83.90969	0.8
85.02887	6.9
93.03333	1.0
95.04914	1.0
97.02855	3.8
101.40504	0.9
107.04920	1.5
109.02834	3.5
111.04411	8.6
119.04884	1.4
120.45174	0.9
121.02829	1.0
123.04386	2.1
129.05368	1.9
131.04814	1.2
133.02740	1.2
135.04333	7.7
136.06158	1.3
137.02296	16.7
139.03859	4.5
143.64841	0.9
145.02802	1.7
147.03305	0.9
147.04306	7.5
151.03920	0.9
159.04305	1.0
160.05165	2.0
161.02252	1.8
163.03825	21.6
164.66756	1.1
165.06868	2.0
173.02367	1.4
175.03874	3.8
177.05403	1.9
179.03349	1.9
181.06451	1.7
187.03847	4.0
191.03255	4.0
193.04865	1.6
193.06445	2.1
195.02693	1.5
197.05821	1.6
201.05280	1.4
203.03334	8.9
204.03728	1.1
205.06398	5.3
206.06746	3.5
207.02901	4.5
209.04269	1.1
212.90842	0.9
215.03294	4.5
217.04939	1.8
219.02875	1.1
221.04271	4.5
221.06039	25.5
222.06287	7.9
223.07501	13.2
224.07863	4.2
229.04860	13.6
230.05240	4.4
231.02898	1.9
233.05962	1.7
234.06512	1.4
239.06885	1.8
243.06474	1.1
249.03020	1.5
249.05394	28.9
250.05740	12.2
251.06894	13.4
252.07202	4.4
255.02814	1.0
267.06339	6.0
268.06659	2.0
269.07971	7.0
270.08380	1.4
271.05954	4.8
272.06323	1.5
273.03537	1.2
275.76907	0.9
277.04803	5.0
278.05045	4.1
279.06348	2.1
281.04654	1.1
285.07431	6.7
286.07767	1.3
295.05908	100.0
296.03104	1.9
296.06247	41.5
297.07428	3.9
299.05255	5.5
300.05972	1.1
307.05804	1.1
309.07285	1.5
310.04688	7.1
311.05359	41.2
311.08597	1.9
312.05875	3.9
313.06912	14.9
314.07346	4.8
323.05365	30.6
324.06018	14.1
325.07013	8.3
325.10449	1.2
329.06561	1.3
335.05338	3.7
336.06015	2.1
337.06885	25.0
337.10638	1.7
338.07709	7.1
339.08578	4.0
341.06442	48.1
342.06799	1.6
349.06992	10.4
351.08484	6.9
353.06335	23.2
362.07632	1.7
363.08524	7.9
365.06418	30.2
367.07840	10.3
371.07645	1.8
377.06342	8.7
379.07968	2.1
381.09506	5.5
383.07773	3.4
389.06451	1.7
391.07925	6.2
393.09512	1.8
395.07431	39.0
403.07837	1.4
407.07306	10.5
411.08917	1.9
413.08408	5.2
419.07416	12.3
421.08939	5.2
425.08417	7.7
425.65689	1.1
431.07120	1.3
433.09143	1.3
437.08429	6.2
443.09552	6.8
449.08438	13.4
455.09555	1.9
461.09000	5.3
467.09662	12.2
473.10400	7.0
485.10486	6.8
491.09338	1.6
497.10410	4.4
509.10394	4.8
515.11530	4.2
527.11499	6.8
545.12610	3.6
557.12140	1.3
563.13501	5.4
575.13715	8.5
581.14850	1.3
587.13495	4.7
593.14233	4.0
605.14484	1.3
617.14435	2.2
623.15759	5.3
629.15009	5.6
635.15900	10.3
641.14392	1.2
647.16040	15.9
659.15857	8.5
671.15338	4.0
677.16870	9.4
689.16620	6.4
707.18054	9.0
725.19012	11.4
743.18677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01856	6.8
56.10547	1.2
57.03424	2.2
59.73943	1.3
61.02906	6.5
65.03938	1.3
67.10621	1.2
68.99772	1.4
69.03401	9.4
73.02892	2.9
75.01981	1.3
79.05512	1.3
79.14154	1.5
80.36106	1.4
81.03387	3.3
83.04966	3.1
85.02882	17.8
91.05429	2.3
93.03366	2.9
94.44577	1.3
95.04910	2.7
97.02844	10.2
103.03871	1.3
103.05431	1.5
107.01402	1.7
107.04951	2.6
108.13172	1.3
109.02841	3.5
111.04407	6.6
116.96677	1.3
117.03344	2.2
119.04874	3.2
121.02840	2.0
123.04387	3.4
124.01468	1.4
127.03888	5.7
129.05482	1.6
131.04893	2.1
135.04384	20.5
137.02304	50.7
137.03307	3.1
137.05939	5.4
138.23514	1.3
139.03865	3.0
139.76248	1.2
145.02853	3.3
147.04369	17.5
148.04721	2.8
149.05974	1.9
159.04393	3.0
161.02280	7.9
163.03847	21.6
164.04218	4.8
165.06999	1.5
171.04385	1.9
175.03857	6.9
177.05452	8.5
179.03308	6.9
187.03894	7.8
189.01787	5.8
189.05396	1.5
191.03340	2.8
193.04884	1.8
194.54718	1.5
195.02829	9.1
199.03764	1.6
201.05350	5.6
203.03317	23.1
205.04895	5.8
205.06578	2.0
207.02809	11.0
209.04247	1.8
213.05467	2.8
215.03293	3.2
217.04810	14.5
219.02884	6.8
221.04338	6.4
221.06250	9.6
222.06206	1.9
223.07533	3.4
224.07773	2.1
227.03363	2.2
229.04904	5.6
231.02878	2.9
233.04340	3.3
241.04773	2.8
243.02847	6.3
245.04367	5.7
247.02409	1.5
249.05389	13.3
250.05865	2.3
251.06885	5.0
255.02582	1.6
257.04263	1.7
261.03735	2.5
267.06412	1.6
269.04596	1.6
269.07944	2.6
272.05762	1.4
273.03833	5.8
277.04794	3.4
278.05289	2.0
279.06366	6.1
280.06866	1.9
283.05933	5.8
284.06827	3.0
287.05426	1.8
295.05884	44.4
296.06299	17.1
297.07553	6.4
299.05353	25.6
300.06012	5.1
307.05939	2.1
308.06329	2.6
309.04089	1.8
309.07462	7.1
310.04584	21.4
311.05389	100.0
311.08661	4.6
311.64890	1.5
312.06131	8.7
313.06918	18.5
321.07416	3.1
323.05380	66.7
323.08542	2.4
324.06097	28.6
325.03284	3.0
325.06836	33.1
329.06534	13.8
333.07480	6.1
334.08517	1.5
335.05386	9.8
336.05997	13.2
337.06897	79.0
338.07715	10.9
339.04761	6.4
339.08578	9.7
341.06436	80.9
342.06937	1.6
345.07303	7.0
349.06931	28.6
350.07779	8.0
351.04849	2.8
351.08517	31.2
352.05630	7.5
353.06384	78.7
355.08041	10.1
361.06854	21.8
363.04770	2.1
363.08670	12.5
364.05460	2.1
365.06418	85.5
366.07123	3.2
367.07965	30.1
371.07504	8.1
373.06796	1.7
375.08606	5.2
377.06305	36.9
379.07944	38.9
383.07535	24.2
389.06296	24.7
389.10574	1.7
391.08112	14.9
395.07449	84.9
401.08362	1.9
403.07962	12.9
405.05579	2.3
407.07410	98.4
417.09558	3.2
419.07336	23.4
421.08966	2.6
425.08481	46.0
431.07336	16.0
433.08987	6.6
437.08701	13.3
443.09470	26.6
445.09070	2.9
449.08487	20.3
455.09546	5.5
461.08701	12.0
473.09485	10.5
479.09424	8.4
485.10712	1.8
491.09698	9.8
497.04547	1.7
497.10803	19.4
503.11298	3.4
509.10434	8.1
515.11432	7.3
527.11633	36.9
533.13159	2.2
545.12518	14.4
557.12836	11.9
563.13831	14.7
569.12402	5.4
581.14410	7.3
587.13849	35.8
605.14777	69.6
611.13708	3.1
623.14996	2.8
635.15363	6.8
653.16486	10.1
659.15991	24.4
677.16907	20.3
689.16858	62.0
707.17938	40.3
725.19019	26.0
743.20184	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.0
53.03922	6.6
54.06405	0.7
54.80466	1.0
55.01846	5.4
55.02094	0.8
55.05243	1.6
55.05493	36.6
57.03413	19.5
57.07051	4.9
59.04965	1.3
60.24376	0.9
61.02901	4.2
67.05478	58.0
69.03394	6.0
69.07043	23.6
71.04962	5.1
73.02882	1.2
77.21040	0.9
79.05009	2.0
79.05460	51.2
81.03383	71.2
81.06544	2.3
81.07022	62.3
82.07337	1.2
83.04949	20.4
83.08584	33.9
85.02877	23.4
86.09703	1.2
91.04893	2.0
91.05440	40.6
93.07004	51.5
94.07376	1.2
95.04926	35.0
95.08572	38.3
96.37238	1.0
97.02856	6.3
97.06482	5.2
97.10123	12.1
105.06990	30.3
107.04937	8.1
107.08551	23.7
109.06462	5.4
109.10133	14.0
111.04419	1.8
111.08036	13.3
113.05984	1.5
115.05426	2.1
117.06989	6.2
119.08531	26.2
121.10098	19.6
123.08025	4.6
123.11660	6.7
124.99966	1.3
125.09573	1.9
129.06949	9.3
131.08507	22.2
133.10078	14.3
135.11630	11.1
136.12010	1.1
137.09567	2.2
137.13136	1.2
142.07712	2.0
145.10077	7.4
147.08035	2.4
147.11647	17.3
149.09561	7.0
149.13202	2.4
157.10071	15.0
159.11674	1.4
161.13200	2.3
163.11118	5.3
163.14764	1.3
165.12669	1.8
166.64987	1.1
173.13152	1.6
175.11113	14.1
181.03787	1.0
184.07300	2.5
193.12183	42.5
211.13225	38.6
213.72351	1.0
243.21049	1.0
256.25937	1.2
261.22043	9.2
267.15781	9.6
283.15332	4.1
284.15619	2.4
285.16830	37.3
307.92975	1.2
335.25659	47.7
336.25919	4.9
337.26620	1.4
503.37128	33.9
527.37122	10.2
544.36853	2.3
545.38147	100.0
546.38513	1.8
655.89777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	12.1
55.05245	2.0
55.05496	44.1
57.03414	25.9
57.07053	8.9
59.04978	1.5
61.02905	9.6
61.28543	1.5
64.32537	2.2
67.05485	79.1
69.03420	3.9
69.07043	31.7
71.04971	2.9
71.08596	3.1
73.02872	3.5
79.05460	39.6
80.03906	1.6
81.03382	17.4
81.07028	79.0
82.07348	2.0
83.01309	11.2
83.04954	23.6
83.08589	26.8
84.78384	1.8
85.02878	11.4
85.06491	2.1
87.83984	1.7
91.03913	2.1
91.05458	30.0
92.09339	2.0
93.07016	49.4
95.04945	8.8
95.08580	48.2
97.02829	8.6
97.06474	10.9
97.10121	9.2
105.07001	23.8
107.04911	11.8
107.08568	26.5
109.06474	10.4
109.10135	23.7
111.04407	2.4
111.08049	4.0
113.35841	1.8
116.51279	2.0
117.06975	12.7
119.08533	19.2
121.06456	4.0
121.10120	18.3
123.08006	10.1
123.11652	3.9
125.05920	2.0
125.09598	2.4
131.08556	4.3
133.10089	11.4
135.07973	2.1
135.11676	18.0
137.13254	2.0
145.10062	18.0
147.08115	2.7
147.11667	4.1
149.13211	3.3
153.12695	2.4
163.11108	28.6
181.12149	2.8
184.07256	4.8
191.10661	2.4
193.12308	2.8
203.19807	1.9
209.11716	4.4
227.12650	3.1
245.22572	2.4
267.15833	2.8
283.15314	100.0
285.17020	2.9
335.25635	7.5
336.25690	2.4
337.27295	74.4
402.52902	2.3
545.38074	50.1
550.55377	2.4
553.40637	7.6
640.87701	2.3
768.58643	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.5
55.01858	13.7
55.05251	2.3
55.05495	56.3
57.03419	32.6
57.07059	11.2
59.04977	5.6
61.02902	14.4
65.03898	1.8
65.45467	1.8
67.05481	95.5
69.03394	6.2
69.06683	1.7
69.07042	37.1
70.38718	1.7
71.04964	10.5
71.08588	2.4
73.02868	5.6
79.05458	56.7
81.03379	21.8
81.07024	98.0
83.01294	12.2
83.04940	17.9
83.08125	2.8
83.08587	37.8
85.02851	15.2
86.09682	3.1
91.03928	2.9
91.05437	37.9
93.07004	62.7
95.04923	13.4
95.08566	68.4
97.02836	7.3
97.06480	8.7
97.10141	8.4
99.08036	2.1
105.06989	22.0
107.04937	12.8
107.08551	30.6
109.06477	8.7
109.10123	26.2
111.08021	5.9
117.06989	10.2
119.08525	24.0
121.06428	3.6
121.10101	20.2
123.08052	10.2
123.11645	6.9
124.99953	2.9
125.09591	5.7
129.06917	2.1
130.07713	2.0
131.08510	6.3
133.10115	14.6
135.07951	1.5
135.11642	22.3
137.09543	2.9
137.13177	3.2
142.07733	1.5
145.10068	20.4
147.11632	8.5
149.13170	2.7
153.12729	3.4
161.13159	3.0
163.11124	26.4
164.36205	1.5
173.09512	3.7
173.13222	2.4
175.11140	1.5
181.12177	2.8
184.07227	6.9
191.10504	1.5
191.53940	1.7
193.12238	1.9
198.02118	1.5
209.11693	5.8
227.12614	2.8
239.13840	1.8
255.02379	1.4
263.23639	3.3
265.66083	1.6
267.15848	3.5
283.12845	1.9
283.15277	89.2
285.16901	7.2
335.25485	6.5
337.27234	94.5
407.36185	1.6
503.37091	6.1
514.80078	1.8
527.36823	6.9
545.38177	100.0
553.40454	7.3
742.43115	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.3
53.03923	2.9
55.01854	7.5
55.05497	45.0
56.88070	1.3
57.03422	24.7
57.07056	8.4
58.09465	1.2
61.02901	7.2
65.03918	1.3
67.05482	75.4
69.03404	5.4
69.07047	36.6
71.04961	6.0
71.08603	2.4
79.05460	58.0
80.05801	1.5
81.03391	87.0
81.07029	77.2
82.07372	2.3
83.04955	15.7
83.08593	41.3
85.02884	28.9
85.06510	2.7
86.09678	2.9
91.05448	52.1
91.48484	1.4
93.07008	69.2
94.07333	2.9
95.04928	41.8
95.08573	45.0
96.08907	1.6
97.02843	3.1
97.06511	6.7
97.10131	20.1
98.72481	1.6
99.04411	1.6
99.08062	1.4
104.31814	1.3
105.06998	40.9
107.04919	8.1
107.08557	32.4
108.08865	1.6
109.06495	9.8
109.10136	16.0
111.04414	2.7
111.08039	11.3
111.11665	2.2
115.05427	2.3
117.06975	7.8
119.08539	32.8
121.06450	2.7
121.10101	29.5
123.08058	5.6
123.11671	2.4
125.09561	2.2
128.06096	2.2
129.06981	13.5
131.08543	19.6
133.06456	2.4
133.10089	19.0
135.11664	12.2
142.07750	3.4
145.10045	12.9
147.08002	1.7
147.11646	18.2
149.09604	7.0
149.13240	5.5
157.10092	18.1
159.11642	1.8
163.11165	6.9
165.12746	1.8
173.13274	2.7
175.11154	14.4
184.07266	6.1
187.14764	1.7
193.12181	33.7
211.13214	28.0
219.85069	1.5
227.12727	3.4
228.12895	1.6
261.22141	6.6
267.15903	8.6
283.15253	5.7
284.15643	6.0
285.16898	31.2
293.17709	1.5
335.25665	61.6
336.26028	6.2
337.26196	1.7
415.71664	1.4
454.54648	1.7
503.37180	79.4
527.36926	9.4
544.36774	7.3
545.38153	100.0
720.78735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.7
55.01847	2.4
55.05496	25.2
56.38307	1.0
57.03418	22.3
57.07032	1.2
61.02900	7.3
67.05482	63.1
69.03402	5.4
69.07041	16.4
71.04962	2.5
72.78746	1.1
73.02873	1.5
79.05460	52.2
81.03387	52.9
81.07027	62.1
83.04969	13.3
83.08585	21.6
85.02869	30.6
85.06518	1.6
91.03922	1.3
91.05441	46.7
93.07008	53.6
95.04916	21.3
95.08566	42.2
97.02856	4.8
97.06497	6.2
97.07089	1.2
97.10133	6.1
105.04456	1.3
105.06994	33.0
107.04923	5.7
107.08559	19.7
109.06489	4.8
109.10118	14.5
111.07987	8.1
117.06981	7.3
119.08545	24.5
121.10105	20.9
123.08016	2.5
123.11685	4.5
125.52121	1.3
129.06958	11.6
131.08505	19.2
133.06442	2.0
133.10097	14.7
135.11650	9.6
137.09558	1.5
142.07706	2.3
145.10065	8.1
147.11668	15.3
147.78218	1.2
149.09592	4.7
149.13231	2.8
151.10988	1.2
157.10051	9.6
159.11659	5.5
161.13127	2.3
173.13300	4.0
175.11110	9.7
175.14687	2.0
193.12181	26.2
201.07500	1.2
211.11395	2.1
211.13229	27.0
261.22012	4.9
267.15866	7.3
269.98914	1.2
275.26398	1.2
277.03342	1.4
285.16870	31.6
335.25699	67.1
421.26276	1.2
425.45218	1.3
429.66742	1.3
527.36871	12.8
545.38202	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
53.66858	0.9
54.95296	1.1
55.01842	4.6
55.05250	1.8
55.05495	35.0
57.03416	13.8
57.07042	7.7
61.02892	2.8
61.72273	0.9
65.03895	1.3
67.05478	61.2
69.03410	2.8
69.06681	2.3
69.07041	38.2
71.04955	5.1
71.08611	2.0
75.91370	1.1
79.05457	36.0
81.03382	34.9
81.07018	100.0
82.07358	1.3
83.04955	5.9
83.08584	32.4
85.02861	4.6
85.06487	3.0
91.05437	32.3
92.08676	2.7
93.06999	37.5
93.43121	1.2
95.04926	16.7
95.08562	41.5
97.02874	1.4
97.06509	9.4
97.10126	12.4
99.08041	2.0
105.06997	39.1
107.04926	1.3
107.08563	25.6
109.06465	6.3
109.10098	12.1
111.08014	2.3
111.11629	2.4
117.06956	4.2
119.07733	2.0
119.08536	33.7
121.06464	1.5
121.10089	31.2
123.08042	4.9
123.11637	25.9
129.06934	5.5
131.08511	10.5
133.10057	7.3
135.11638	8.7
137.13171	1.8
145.10040	5.5
147.10474	1.9
147.11635	51.7
149.09593	1.4
149.13210	2.1
157.10071	2.8
159.11623	2.5
161.13193	2.0
165.12650	16.6
173.09480	1.1
173.13187	2.4
175.11023	3.6
187.14720	2.0
193.12126	7.6
218.48099	1.1
218.86861	1.3
243.20958	1.5
261.22113	9.1
267.15778	39.3
278.20932	1.2
284.15546	1.4
285.16852	42.7
306.08307	1.5
335.25668	50.0
353.26901	2.2
503.30060	2.4
503.37128	64.1
504.37305	2.3
527.37006	2.9
545.38184	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	742.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60281	0.6
54.13611	0.5
55.05490	0.8
55.26601	0.5
56.05014	0.7
60.08143	8.9
67.05474	3.1
69.07050	0.7
71.07340	5.6
77.72243	0.5
79.05451	2.8
81.07012	2.6
83.08594	0.6
86.09672	49.8
91.05475	0.8
93.07012	2.3
95.08559	0.7
98.98430	3.4
104.10709	2.8
104.73280	0.7
105.07001	2.8
107.08585	0.6
119.08538	1.1
121.10098	0.7
124.99952	33.4
132.19461	0.6
133.97075	0.7
184.07272	100.0
188.78183	0.7
241.57281	0.8
262.81024	0.6
335.65424	0.7
401.74985	0.9
656.15137	0.6
724.45105	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	742.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.7
60.08146	9.3
67.05481	1.4
69.03407	0.7
71.07348	4.0
76.55543	0.6
79.05493	0.7
81.07004	0.8
86.09677	50.0
89.46004	0.5
91.05441	0.9
93.07004	1.2
95.08550	0.6
98.98444	3.7
104.10702	1.2
105.07040	0.7
109.11994	0.6
117.06934	0.8
119.08516	1.2
121.10153	0.6
124.99957	34.7
130.54308	0.5
184.07283	100.0
236.51540	0.6
297.34775	0.7
396.90283	0.6
422.85846	0.7
545.34369	1.0
592.78003	0.7
742.42725	13.7
753.62451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.6
53.03919	2.6
55.01839	1.4
55.05495	28.0
57.03407	3.6
57.07050	7.9
61.02900	0.8
62.73167	0.6
67.05481	12.7
69.03416	1.1
69.06681	1.2
69.07042	28.0
71.04962	1.1
71.08601	4.9
73.41893	0.5
79.05457	11.6
81.03383	46.6
81.07024	17.1
82.07323	0.8
83.01316	0.8
83.04935	2.7
83.08589	23.3
84.08919	0.6
85.02851	1.0
85.10143	1.2
86.09651	0.7
91.05444	13.0
92.09512	0.5
93.07003	9.1
95.04925	13.6
95.08567	7.6
97.02850	1.1
97.06483	1.0
97.10124	14.5
98.98412	0.9
105.06987	7.7
107.04905	3.9
107.08548	5.3
108.08879	1.1
109.06455	2.5
109.10087	3.9
111.04378	0.9
111.08041	3.8
111.11672	3.0
117.06952	2.9
117.68150	0.6
119.08556	10.0
121.06448	1.0
121.10081	5.6
123.08015	1.1
123.11674	1.0
129.06982	5.2
131.08534	6.4
133.06422	1.2
133.10083	2.5
135.11635	1.3
136.41182	0.7
137.09601	2.4
137.13245	0.7
142.07791	0.9
145.10085	2.5
147.08006	1.0
147.11649	5.6
149.09563	1.4
157.10066	4.8
159.11617	0.7
163.11162	1.1
165.12720	0.9
175.11133	4.2
183.84474	0.6
184.07239	1.4
184.46281	0.6
193.12173	9.1
215.05952	0.6
249.14719	0.7
267.15848	3.9
283.15411	1.4
285.16861	2.5
311.25571	1.3
335.25662	4.3
503.37106	100.0
504.37207	2.2
521.37695	0.6
545.37720	3.8
552.39380	1.1
553.39941	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	742.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.7
60.08146	9.3
67.05481	1.4
69.03407	0.7
71.07348	4.0
76.55543	0.6
79.05493	0.7
81.07004	0.8
86.09677	50.0
89.46004	0.5
91.05441	0.9
93.07004	1.2
95.08550	0.6
98.98444	3.7
104.10702	1.2
105.07040	0.7
109.11994	0.6
117.06934	0.8
119.08516	1.2
121.10153	0.6
124.99957	34.7
130.54308	0.5
184.07283	100.0
236.51540	0.6
297.34775	0.7
396.90283	0.6
422.85846	0.7
545.34369	1.0
592.78003	0.7
742.42725	13.7
753.62451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80713	0.4
55.01860	0.6
55.05488	0.5
56.96540	0.7
57.03412	1.4
61.02907	0.3
65.03913	0.8
67.05473	1.8
68.39973	0.3
68.99760	0.4
69.03423	4.1
70.03734	0.5
70.45878	0.3
72.82034	0.3
73.02882	1.5
79.05473	0.5
81.03329	0.4
83.04954	4.9
85.02869	6.8
86.03210	0.5
87.04430	0.9
89.03899	3.1
89.54002	0.4
91.30715	0.3
92.09431	0.8
93.03381	1.6
95.04925	1.6
97.02846	2.7
98.97536	1.7
99.00774	0.4
107.04913	1.5
109.02831	0.8
111.04408	7.4
115.03883	2.1
115.05402	0.6
116.98579	1.5
117.03333	4.3
118.03638	0.3
119.04901	0.4
121.02804	1.5
123.04383	2.2
126.38436	0.3
127.03864	0.7
129.05441	1.9
131.04924	2.5
133.04906	2.3
135.04379	9.4
136.04709	0.7
136.45718	0.4
137.02303	3.3
139.03856	3.2
145.02806	7.6
145.04900	1.7
146.03078	1.3
147.03375	0.4
147.04330	3.6
149.05859	0.4
151.03851	0.6
157.04915	0.7
159.04327	0.9
160.05133	3.4
161.04675	0.4
161.05952	2.2
163.03847	42.8
164.04179	5.1
165.05417	1.6
165.06877	0.4
167.03365	2.9
169.06415	0.4
173.05879	0.5
175.03831	4.4
175.05911	0.8
177.00549	0.6
177.05417	3.9
177.06873	0.6
181.06436	2.9
187.03761	9.1
187.06380	0.4
191.03320	3.8
193.04897	3.0
193.06461	1.0
195.07993	1.8
197.05957	2.0
203.03409	5.0
205.06418	5.7
209.04428	2.8
209.06128	0.4
211.07483	0.7
217.04941	0.5
219.03027	0.4
221.04291	2.9
221.06013	20.1
223.07471	15.9
225.05409	2.3
229.04900	1.8
231.02792	5.3
233.05867	4.1
234.06587	0.9
237.03020	0.5
237.03790	0.5
239.07014	2.1
243.06372	3.8
249.05373	24.1
250.06027	0.8
251.06956	18.7
253.04845	2.2
259.08011	0.4
267.06448	5.9
269.07996	10.7
271.05908	7.6
277.04837	11.8
278.05411	0.4
279.06348	1.7
281.04410	1.7
285.07507	4.2
293.08939	3.0
295.05911	100.0
296.06354	2.4
297.07507	1.4
299.05386	7.5
311.10031	0.5
313.06924	11.5
323.05374	8.3
341.06467	10.3
355.10278	0.6
359.07349	0.7
367.10568	0.4
381.10947	0.6
395.09570	0.7
407.12030	2.4
411.09000	5.7
460.75967	0.4
469.11166	2.5
487.12033	1.5
508.99469	0.5
515.11633	3.2
599.18066	1.7
644.34399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
67.05472	0.3
68.99779	0.2
69.03395	0.8
70.12704	0.2
74.58211	0.2
76.55481	0.2
79.83485	0.2
81.03370	0.2
83.04965	2.0
85.02864	0.9
93.03363	0.4
95.04930	0.8
99.00780	0.2
107.04897	0.3
111.04396	2.3
121.02810	0.4
123.04333	0.6
125.01740	0.2
129.05443	0.9
131.04855	0.5
133.02820	0.4
135.04376	1.3
137.02299	1.3
139.03877	1.2
145.02788	0.7
147.04367	1.3
151.03867	0.4
157.04971	0.7
159.04402	0.3
160.05110	2.6
161.05930	0.9
163.03868	4.9
165.06889	1.6
173.02319	0.4
175.03783	1.5
175.05980	0.2
177.05421	0.4
177.06911	0.4
179.03285	0.3
181.06418	1.7
187.03859	1.2
193.04852	0.5
193.06473	1.6
194.05214	0.3
195.08018	1.1
197.05916	1.4
203.03329	0.4
205.06404	3.3
211.07452	0.9
221.05907	27.3
222.06569	0.3
223.07463	11.3
225.05542	0.3
229.04869	0.8
231.02858	1.2
233.05896	3.0
234.06593	0.3
239.06969	1.6
242.05557	0.2
243.06387	1.2
249.05365	26.0
250.06012	1.1
251.04308	0.4
251.06949	11.5
253.04874	0.4
266.05539	0.4
267.06448	4.9
269.07977	5.6
271.05942	1.1
277.04883	5.5
280.06924	0.2
281.04279	0.8
285.07462	4.2
295.05911	100.0
296.06314	1.3
299.05420	0.9
311.05481	0.5
312.05777	0.5
313.06924	8.3
323.05426	2.2
341.06436	4.0
359.07761	0.3
369.80176	0.2
389.17743	0.3
419.07715	0.3
457.58282	0.2
469.10907	0.7
487.12314	0.3
506.45178	0.2
515.11621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05494	0.9
57.03416	2.7
61.02908	5.8
64.32684	0.9
67.05469	5.3
69.03398	3.2
69.07043	1.2
71.04967	5.5
73.02888	3.8
79.05056	0.8
79.05448	5.5
81.03391	6.5
81.07029	6.4
83.04955	3.3
83.08588	1.5
85.02877	8.3
90.55037	0.7
91.03922	3.5
91.05449	5.1
93.07018	3.3
95.04932	3.3
95.08566	3.7
97.02857	4.2
97.06474	0.8
99.04438	0.9
101.02350	1.6
105.07001	4.5
107.04942	1.1
107.08585	3.3
109.10122	1.1
114.32449	0.6
117.06994	1.0
119.08546	2.9
121.10093	1.3
127.03909	1.1
129.06996	1.0
130.27620	0.6
131.08578	1.4
133.10138	1.0
135.11682	1.3
145.10081	1.5
147.11652	1.5
149.09575	0.7
157.10081	1.0
163.11069	1.2
175.11151	1.3
181.57956	0.7
193.12193	1.0
196.51091	0.7
243.08430	3.9
267.15881	0.7
295.15140	3.7
469.20218	10.2
513.22833	6.7
741.36401	100.0
742.37317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76120	2.2
55.01859	2.8
55.05497	53.2
57.03407	3.1
57.07051	16.8
57.07310	2.4
67.05476	25.7
68.85055	2.1
69.07041	49.4
71.08598	10.2
79.05468	28.5
81.07026	33.7
83.08587	33.4
91.05422	41.6
91.69752	2.4
93.06992	27.9
95.08557	19.3
97.10124	19.6
98.98425	13.0
102.60625	3.0
105.07003	43.4
107.08553	17.6
109.10119	4.5
117.06981	11.4
119.08527	35.2
121.10113	14.3
129.06898	3.3
131.08507	18.0
133.10101	26.9
135.11653	3.6
143.08522	5.5
145.10094	19.4
147.11655	17.2
149.13081	3.7
157.10121	5.2
159.11613	6.4
161.13211	13.0
171.11604	9.2
173.13112	3.3
175.14844	5.3
185.13202	5.0
203.48900	3.3
204.36925	3.2
217.19548	3.8
241.19460	16.4
259.20441	10.6
261.15817	2.9
279.53873	3.0
311.25656	36.1
315.22986	13.3
334.07532	2.9
424.58472	3.3
469.89236	3.0
569.45404	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23269	0.5
54.80808	0.7
55.01857	3.9
62.00055	0.6
67.05443	1.0
68.99764	19.0
69.03398	1.4
79.05453	1.5
81.03369	2.8
82.07067	0.6
83.99355	0.8
89.03889	1.8
89.66403	0.7
90.05546	0.7
91.05421	1.2
92.08685	0.8
95.01274	1.1
95.04937	4.4
97.02847	1.0
99.56382	0.7
103.05392	1.0
107.04901	8.2
107.30995	0.8
109.02852	2.9
111.00760	0.9
111.04400	26.4
115.05422	0.9
117.03350	3.6
119.04919	1.7
123.04384	58.3
125.05950	1.2
127.03886	3.8
129.06931	0.7
131.04907	1.5
135.04364	71.2
137.02295	68.9
137.03117	2.2
139.03851	19.7
145.02824	4.6
147.04346	8.0
149.05975	2.8
151.03851	6.0
153.01767	9.1
153.05434	13.0
155.03398	1.2
155.04877	1.7
159.04327	5.7
161.02324	0.8
161.05852	5.5
163.03836	100.0
164.04265	0.7
169.06393	1.1
169.40924	0.7
171.02826	7.0
173.05887	5.2
175.03848	5.1
177.05420	4.4
179.03325	96.0
181.06462	1.2
183.04385	1.3
185.05913	1.7
187.03802	13.5
189.05447	3.1
191.03342	4.9
193.04875	1.6
197.05966	1.6
201.05441	9.1
203.03282	8.9
205.04916	4.9
207.02802	1.5
211.03853	3.7
213.05432	3.3
215.03334	4.3
217.04881	3.0
225.05438	1.2
227.03452	1.1
227.06920	1.1
229.04866	10.4
231.02718	0.9
239.07130	1.1
241.04906	3.8
243.02798	1.2
245.04353	2.9
246.11096	3.2
247.05882	38.6
247.08276	1.5
249.05359	0.9
253.04938	1.6
255.06395	1.5
257.04321	3.7
259.05911	1.4
261.08997	0.8
267.06534	1.4
269.04355	3.8
271.05930	4.0
275.06714	1.4
281.04160	2.6
283.02899	1.0
283.05807	5.6
285.03836	1.4
287.05496	3.1
289.06937	54.9
293.07886	1.1
295.05927	1.8
297.03839	6.0
297.07513	3.1
299.05487	1.3
301.06958	4.6
305.04251	0.9
309.03769	1.5
311.05148	1.2
313.06989	3.5
315.04770	4.6
315.08380	1.3
317.08057	1.2
321.07449	3.3
323.05420	6.6
327.04883	3.0
335.09006	0.9
339.04959	7.9
341.06351	7.0
345.07544	1.1
349.06921	1.4
351.04993	1.4
363.08438	4.7
367.08099	1.0
377.06592	2.9
391.08054	9.8
407.07141	1.0
409.08881	11.1
419.07477	3.4
433.08987	15.3
437.08609	5.3
449.08328	3.5
451.03748	1.3
451.10071	32.5
461.08313	3.5
533.13184	0.9
571.11932	11.0
589.12885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94352	2.0
53.03925	4.3
55.01852	11.6
55.05274	2.6
55.05494	36.4
55.52100	1.7
57.03415	34.8
57.07045	5.0
59.04975	3.8
61.02900	13.0
65.03899	2.1
67.05479	85.2
69.03394	2.3
69.07033	27.8
71.04950	7.0
73.02879	2.6
78.71600	2.3
79.05459	66.6
81.03403	15.1
81.07025	94.9
83.01313	15.5
83.04945	17.5
83.08584	25.9
85.02869	10.8
90.74619	2.1
91.03891	2.2
91.05434	36.3
93.07003	96.5
95.04934	18.0
95.08574	63.4
97.02857	10.3
97.06506	11.6
97.10117	8.5
105.06982	32.0
107.04917	5.1
107.08558	53.4
109.06460	8.1
109.10116	22.6
111.04387	4.0
117.06977	16.7
119.08538	22.6
121.06464	3.6
121.10089	35.1
123.08033	9.4
123.11662	8.3
125.05904	2.6
125.09568	2.8
130.07753	3.1
131.08537	21.9
133.10051	14.4
135.11635	30.0
138.01413	2.1
145.10052	28.5
147.08026	2.3
147.11595	3.0
149.13231	5.0
153.12737	2.6
159.11665	8.5
161.13199	3.2
163.11118	30.8
173.09555	3.9
173.13213	8.0
181.12167	2.5
209.11569	4.2
227.12747	9.0
243.21155	3.2
256.77811	2.1
261.21994	14.8
283.15277	93.8
299.23587	2.5
300.89548	2.0
317.24747	3.4
335.25681	100.0
451.31671	2.2
469.33572	2.5
525.35437	5.1
541.31470	2.1
543.36615	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.4
53.03939	4.0
55.01855	14.6
55.05250	1.5
55.05497	36.4
57.03420	32.2
57.07050	2.9
59.04977	4.6
61.02903	12.0
65.03929	1.9
67.05482	78.7
69.07040	20.0
71.01311	1.6
71.04947	6.6
73.02895	1.9
74.48384	1.3
77.18272	1.0
79.05459	66.1
81.03395	18.2
81.07027	80.9
83.01318	15.3
83.04953	21.2
83.08584	24.5
85.02880	15.4
85.06518	1.9
86.09664	7.1
91.03923	2.2
91.05445	35.4
93.07005	81.7
94.40233	1.1
95.04920	14.5
95.08567	56.4
97.02852	9.9
97.06490	8.8
97.10123	8.1
99.04411	4.8
103.05436	1.5
105.06998	30.9
107.04919	12.3
107.08555	43.6
109.06484	13.1
109.10123	23.2
111.04414	2.1
111.08054	2.1
115.36891	1.2
117.06990	20.1
119.08547	19.6
119.62652	1.2
121.06476	7.4
121.10100	27.9
123.08002	15.8
123.11650	5.2
124.99968	2.1
125.06001	2.8
125.09574	2.3
129.06966	4.7
130.07721	2.5
131.08525	19.8
133.10075	16.2
135.07997	2.4
135.11652	29.8
137.09612	2.7
137.13242	1.9
143.08472	1.7
145.10075	26.5
147.07986	2.7
147.11674	8.7
149.13214	6.5
151.11102	1.5
153.12688	1.7
159.11658	7.2
161.13205	4.6
163.11122	34.6
163.14795	2.0
169.18973	1.2
173.09602	2.1
173.13182	4.6
174.55696	1.0
181.12193	4.7
184.07300	11.7
191.10754	2.1
209.11734	9.9
214.87178	1.1
224.45654	1.4
227.12741	7.7
243.21007	1.8
259.20432	1.8
261.21960	11.3
283.15298	100.0
299.23505	2.8
317.24725	2.7
319.54480	1.5
335.25690	69.6
394.95654	1.4
433.30606	2.2
451.32031	1.6
462.98465	1.3
477.36905	1.3
515.36426	1.2
525.35828	2.7
543.28094	2.1
543.36566	58.2
561.37567	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.6
53.03934	2.3
53.90487	1.3
55.01855	6.6
55.05492	25.4
55.81444	1.2
57.03414	17.9
57.07051	2.6
61.02898	3.4
65.03917	1.5
67.01553	1.3
67.05479	61.9
68.42671	1.2
69.07050	19.3
71.04948	2.7
73.02889	1.6
79.05461	55.1
81.03373	7.4
81.07026	73.4
83.01339	1.8
83.04946	7.9
83.08590	19.2
85.02880	2.7
85.06484	2.3
91.05445	31.5
93.07008	84.4
95.04952	10.9
95.08571	83.4
97.02852	6.9
97.06489	3.1
97.10150	2.4
99.04414	2.6
105.07008	23.2
107.04904	12.4
107.08556	46.9
109.06493	3.1
109.10107	19.4
111.04410	2.3
111.08043	2.2
117.06985	11.8
119.08550	19.0
121.06437	8.1
121.07233	1.3
121.10107	24.8
123.08005	2.3
123.11691	2.8
125.05949	2.7
130.07790	1.9
131.08528	9.7
133.10081	9.9
135.11646	50.4
145.10078	34.3
147.11647	2.8
149.13248	2.3
159.11650	2.1
163.11110	66.7
181.12183	10.4
187.14691	1.7
189.90829	1.4
209.11697	1.7
227.12715	51.1
261.22192	7.1
283.15292	41.2
335.25681	100.0
336.25903	1.7
543.36591	91.6
551.38794	2.7
599.93903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
53.70803	2.1
55.01849	11.5
55.05493	53.5
57.03421	30.6
57.07051	3.2
57.96707	2.5
61.02895	12.6
67.03539	2.8
67.05164	5.0
67.05484	100.0
69.07054	23.3
69.17290	2.2
70.83094	2.6
71.04942	11.0
73.02867	2.8
76.40184	2.6
79.05462	74.2
81.03387	26.4
81.07027	90.2
83.01317	6.7
83.04941	17.6
83.08579	22.1
85.02870	13.0
89.59353	2.7
91.05444	55.0
92.08675	8.0
93.07008	95.0
95.04929	18.8
95.08572	59.5
97.02840	10.8
97.06474	6.3
105.06983	41.0
107.04913	6.1
107.08569	42.9
109.06459	13.0
109.10121	18.8
117.06973	21.2
119.08556	37.4
121.06441	2.9
121.10096	30.7
123.07980	4.9
129.06935	6.3
131.08485	24.3
133.10077	19.7
135.11652	25.6
145.10097	35.7
147.11644	6.3
149.09587	2.5
149.13210	5.1
159.11650	2.9
161.13182	4.2
163.11084	30.4
164.16814	2.8
180.10646	3.0
184.07217	5.4
193.12154	4.3
209.11575	4.2
211.13138	3.5
227.12531	4.6
250.50751	2.7
259.20505	4.8
261.21951	11.1
283.15317	62.6
285.16824	5.1
314.24677	3.3
317.24500	2.9
333.24161	5.9
335.25638	69.0
379.06342	2.8
426.79395	3.0
431.83099	3.0
451.32327	3.0
501.56433	2.9
525.35529	13.3
543.36597	75.6
652.13013	3.2
693.42126	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.8
54.14027	1.2
55.01850	10.1
55.05495	47.8
57.03156	1.6
57.03418	33.8
57.07056	1.3
59.04696	2.1
59.04980	39.7
61.02894	3.4
61.11256	1.4
65.03907	2.5
67.05479	100.0
68.38660	1.7
69.03384	6.4
69.07034	16.0
71.04967	17.1
73.02911	2.0
79.05460	52.6
81.03386	79.4
81.07022	58.7
83.04948	25.3
83.08594	33.4
85.02868	31.9
85.06509	8.8
87.04433	34.3
87.04951	2.7
91.05440	59.2
93.06998	35.6
95.04941	31.8
95.08575	22.7
97.02840	8.1
97.06486	7.7
97.10149	14.8
99.04416	15.8
105.06992	36.0
107.04914	13.8
107.08556	26.5
107.42373	1.8
109.02898	1.6
109.06475	7.3
109.10120	51.1
111.04403	9.7
111.08044	13.2
117.06960	7.0
118.15126	1.5
119.08530	30.4
121.06447	2.0
121.10104	13.1
121.47288	1.4
123.08016	2.7
124.45158	1.5
125.09608	11.7
127.03870	2.4
129.06949	19.0
131.08516	19.5
133.06459	2.5
133.10062	16.6
135.07990	1.8
135.11621	5.7
137.09549	3.5
145.10078	6.7
147.08003	7.4
147.11636	15.4
148.33328	1.6
149.09560	8.8
153.12662	2.0
157.10075	13.2
163.11108	9.5
165.12788	1.7
173.11696	13.1
175.11159	16.9
193.12160	39.0
199.13142	5.7
211.13205	42.6
216.72728	1.4
227.12689	1.9
229.14261	40.9
241.14209	2.8
267.15805	29.2
283.15164	6.4
285.16858	26.7
315.17920	2.9
383.21844	2.6
409.25693	6.1
412.57376	1.9
421.25766	16.3
427.26535	7.3
439.26761	72.2
457.25659	8.7
475.26761	40.3
479.29373	2.1
493.27686	6.0
512.33453	1.7
525.30560	3.6
543.31299	2.5
549.49377	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.4
55.01859	15.1
55.05243	1.1
55.05497	29.1
56.05822	0.8
57.03152	1.4
57.03420	29.1
57.07043	1.5
59.04984	1.4
60.76334	0.8
61.02895	4.1
65.03914	1.5
67.05481	41.8
67.64854	0.7
68.05794	1.0
69.03411	6.7
69.07045	10.1
71.01286	1.2
71.04974	6.4
73.02872	5.1
73.15042	0.8
73.50532	0.7
79.05462	40.1
80.05784	1.8
81.03386	100.0
81.07021	38.4
82.03707	4.6
82.04151	1.5
82.07346	0.9
83.04952	24.6
83.08134	1.4
83.08591	27.9
83.09090	0.9
84.05280	1.7
84.08934	1.4
84.40015	0.7
85.02879	14.8
85.06490	1.0
87.04409	1.7
91.04897	1.6
91.05441	40.3
92.05767	2.1
93.07013	26.5
94.04145	0.8
95.04926	39.9
95.08564	15.3
96.05230	0.9
97.02852	7.2
97.06496	8.6
97.10120	14.4
98.07279	4.2
99.04421	1.9
99.08078	1.4
101.06025	0.9
105.06992	27.4
107.04925	16.6
107.08555	17.6
109.06499	6.8
109.10127	12.2
111.04388	8.2
111.08051	11.5
113.05977	1.1
115.05386	1.8
116.04678	9.2
117.03352	1.0
117.05456	1.7
117.06952	6.7
119.04904	1.5
119.08535	26.8
120.08862	1.4
121.02809	4.5
121.06446	6.6
121.10108	11.9
123.04401	1.2
123.08040	4.9
123.11645	1.1
125.05918	0.9
125.09622	11.2
127.11096	1.0
129.05432	22.1
129.06924	13.7
130.07336	1.3
131.08528	16.8
132.08902	1.5
133.06439	5.5
133.10063	12.6
135.04362	3.4
135.08006	5.0
135.11655	9.2
137.05893	0.9
137.09575	2.0
142.07730	3.4
143.06973	1.9
143.08557	1.8
145.10080	12.5
147.04369	1.6
147.07999	5.7
147.11623	15.2
148.11972	1.3
149.09604	9.0
153.08995	1.1
153.12675	10.4
155.08513	1.4
157.08548	9.7
157.10072	15.9
158.10417	1.7
159.11618	2.0
161.09579	1.4
163.11150	12.2
165.12679	1.9
171.10066	3.9
171.11546	1.1
173.09477	1.4
173.11739	1.2
173.13171	1.9
175.11133	12.7
176.11488	1.1
181.12201	6.7
183.11624	1.5
184.07358	1.0
185.11569	1.5
185.13103	1.1
189.11180	7.5
191.10631	3.8
193.12158	31.5
194.12595	4.6
199.13242	1.6
200.13947	1.1
201.12759	1.2
201.14621	1.7
209.11612	4.8
211.13263	9.5
212.13589	1.9
219.13734	1.7
227.12665	17.6
229.14243	4.6
231.13666	0.9
243.24687	0.9
247.13239	11.2
249.14827	2.0
255.15895	1.4
259.13153	1.0
267.15814	52.1
268.16129	4.0
273.14627	1.1
283.15253	11.1
285.16791	3.6
286.17160	1.9
301.16428	17.2
321.16830	4.5
339.17789	0.9
354.87262	1.0
372.81473	0.8
383.22015	4.6
386.23563	1.0
401.23074	1.6
437.30518	1.2
457.25632	3.2
458.26233	1.2
459.27454	2.7
460.27652	4.1
461.27570	1.5
475.26807	24.3
477.27951	3.3
478.28479	4.9
479.28738	1.6
483.30457	1.1
485.57071	1.1
493.27682	21.1
495.29254	1.9
496.29437	5.6
497.29837	1.8
501.31769	1.4
525.30084	1.9
640.33185	3.5
641.33710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01857	13.2
55.05496	52.9
55.34521	1.5
57.03156	1.9
57.03419	38.3
59.04982	25.6
59.17784	1.5
61.02895	3.6
67.05482	100.0
69.03406	11.8
69.07040	16.1
71.01301	2.1
71.04982	18.2
73.02893	1.9
76.98524	2.0
79.05465	57.2
81.03382	74.4
81.07027	58.1
83.01304	1.5
83.04951	27.7
83.08594	34.5
85.02880	33.5
85.06506	3.2
85.80616	1.7
87.04438	25.5
91.05449	53.5
93.07018	35.6
95.04930	37.9
95.08570	25.4
97.02850	8.1
97.06489	8.4
97.10133	24.0
99.04430	18.4
99.08015	1.9
105.06992	34.1
107.04927	14.9
107.08555	20.1
109.06483	12.4
109.10125	54.2
111.04382	8.9
111.08036	11.7
113.05962	2.0
117.06966	4.3
119.08536	27.5
121.06452	3.0
121.10100	15.9
123.08021	4.3
125.09570	13.6
129.06967	14.3
131.08531	16.7
133.06439	3.1
133.10068	15.5
135.08006	2.8
135.11647	8.8
137.09593	3.2
142.07774	3.0
145.10074	8.9
147.07976	3.1
147.11630	16.4
149.09576	7.6
157.10023	18.9
163.11113	10.4
173.11674	14.4
175.11066	17.0
193.12152	34.4
197.13336	1.8
199.13246	9.0
209.11632	2.4
211.13254	41.6
223.13287	2.0
229.14249	29.4
241.14310	2.5
263.74582	1.9
267.15826	26.7
283.15176	3.9
285.16837	38.7
285.19754	3.2
315.17725	7.7
369.51923	2.0
383.21860	4.1
409.25729	2.5
421.25668	15.3
427.26660	10.1
439.26770	49.1
457.25632	7.3
475.26746	37.0
493.27576	3.5
525.30096	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	740.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.2
53.03923	0.3
55.01857	1.9
55.05491	0.3
57.03418	5.7
59.04973	1.1
60.15257	0.2
61.02903	3.2
65.03917	0.2
66.13445	0.2
67.05490	0.3
67.27190	0.2
69.03404	19.2
71.01318	0.2
73.02887	12.4
75.04443	1.0
75.93623	0.2
76.01906	0.2
77.65224	0.2
79.05447	0.5
81.03401	2.0
83.04965	1.8
85.02873	35.2
87.04435	9.1
89.03873	3.4
91.03902	1.5
92.09335	0.3
93.03374	0.4
93.78153	0.2
97.02852	20.0
99.04411	1.4
101.02309	0.4
103.03900	0.5
107.04910	1.4
109.02839	2.9
111.04387	2.3
115.03891	15.8
117.03328	5.1
121.02802	1.0
127.03872	8.5
129.05371	0.8
130.05614	0.2
133.04915	14.9
135.04362	14.6
135.05408	0.4
137.02310	3.2
137.03323	0.4
139.03871	0.4
145.02808	13.5
145.04895	10.5
147.04326	0.5
150.03024	0.3
150.07532	1.7
157.04898	0.5
163.03839	100.0
163.06012	4.6
164.04156	1.2
169.04932	0.5
175.03926	0.3
175.06007	0.4
177.05415	3.0
178.02531	1.0
181.04938	0.5
187.03816	0.3
189.41922	0.3
191.03355	0.4
193.04860	1.9
194.05296	0.4
203.03403	0.4
207.12352	1.0
221.05904	0.5
223.05920	0.8
237.05434	0.5
237.13249	5.3
239.06940	0.4
241.07048	1.4
249.05278	1.0
259.08054	3.9
260.92480	0.2
265.04874	1.0
267.06412	0.4
277.09167	1.6
279.06311	0.4
283.05746	0.5
285.07462	0.4
293.04312	1.0
295.05957	1.1
295.10129	7.2
297.03964	0.3
311.05344	1.3
321.03775	0.5
339.04980	1.2
355.10114	8.6
357.05875	0.4
386.20193	2.5
769.05353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87098	0.3
52.04628	0.4
53.03922	0.4
54.14777	0.3
55.01853	1.0
55.05493	5.7
57.03419	1.0
65.03915	10.5
67.05479	18.7
68.99757	0.9
69.03405	12.1
73.05912	0.5
81.03397	0.6
83.04947	68.8
84.07972	0.4
85.02871	21.1
87.00783	0.5
87.04430	3.0
88.76248	0.4
88.91100	0.5
91.05471	0.7
91.79746	0.4
93.03366	42.4
95.04919	5.5
97.02837	0.7
99.00770	7.6
107.04944	1.7
111.04402	100.0
113.02281	0.6
115.03902	4.4
117.01817	2.1
117.03304	0.6
119.04910	0.9
121.02817	17.8
123.04362	3.8
126.88934	0.5
129.05429	44.8
131.04892	0.6
135.04381	4.0
136.04768	0.5
137.02289	5.7
137.05861	3.6
139.03853	56.5
145.02821	2.5
147.04347	5.2
147.20888	0.5
149.05946	0.8
150.03065	0.8
151.03828	0.6
153.07001	1.6
157.04907	34.6
161.05902	0.9
163.03839	8.7
175.05952	31.8
177.05444	5.7
177.06836	0.8
178.02573	4.0
181.06427	5.7
187.03812	2.9
189.05363	0.9
193.04926	10.0
193.06618	0.7
195.08023	1.9
199.07535	3.3
203.03355	0.8
205.06398	9.0
207.08038	1.7
209.05943	2.5
213.09001	0.5
217.04912	1.7
220.82195	0.5
221.05841	0.9
222.06360	0.7
223.07439	6.3
227.06944	3.1
233.05888	9.0
234.06583	1.8
235.07521	2.4
237.05348	3.1
237.09001	2.0
244.07133	1.1
249.05432	2.4
250.06082	7.1
251.06958	25.1
252.07526	1.0
253.08514	2.9
255.06412	6.1
256.06970	0.6
258.08749	1.0
259.09604	4.2
261.05377	2.0
263.06793	0.7
265.04883	6.7
265.08466	6.1
268.07114	1.1
269.07788	0.9
273.03387	0.5
273.05930	24.1
278.05612	8.0
279.06412	27.9
280.07199	1.9
283.05948	4.6
283.09537	10.1
289.04898	0.5
291.07108	0.6
293.04379	4.3
293.07986	20.8
295.05890	3.3
296.06549	1.1
297.04120	0.7
297.07358	2.5
306.04907	2.0
307.05963	2.7
308.06732	0.8
309.07431	2.4
310.04315	0.5
310.07898	1.9
311.05377	27.7
311.09036	23.1
312.05798	0.7
321.03763	2.7
321.07468	8.2
324.06165	0.9
339.04785	2.5
339.08469	22.9
349.55698	0.6
357.05667	1.0
357.09537	5.4
447.11130	8.2
473.40662	0.4
481.11090	0.5
499.12918	0.6
503.11594	0.6
513.13727	22.1
528.12317	0.5
531.14764	13.1
569.42761	0.6
611.43866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15788	0.1
56.05028	0.4
57.48554	0.1
58.06576	0.2
60.08143	8.0
67.05469	0.2
71.07349	4.5
81.03378	0.3
81.07012	0.2
83.43363	0.1
86.09679	44.1
98.98419	3.1
104.10693	2.9
124.99965	30.2
143.01004	0.3
168.63997	0.2
168.65427	0.2
184.07283	100.0
213.99065	0.1
313.27441	0.2
485.78992	0.2
688.45239	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	738.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.2
55.05504	12.4
57.03393	1.8
57.07050	2.0
65.03928	2.4
65.29800	1.4
67.05154	2.0
67.05482	39.9
67.40099	1.5
69.07052	12.1
76.50063	1.5
79.05463	22.8
81.07027	43.0
83.04947	1.4
83.08582	2.8
91.05443	15.1
93.07009	22.0
95.04933	3.6
95.08570	25.6
103.54344	1.7
105.06986	7.1
107.08571	8.4
109.10097	10.3
109.53654	1.5
119.08543	6.0
121.10097	10.0
123.11668	1.8
131.08490	2.1
133.10074	3.2
135.11655	1.7
187.80286	1.3
208.32591	1.6
255.02429	1.5
278.85565	1.6
304.26343	2.8
306.27896	2.0
597.48523	100.0
598.48975	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
53.35885	0.5
54.29932	0.5
55.01855	4.9
55.05237	1.0
55.05494	18.3
55.31581	0.6
57.03420	18.9
59.04976	1.2
59.69926	0.6
59.92097	0.6
65.03903	0.8
67.05481	32.3
69.03407	7.7
69.07048	9.8
71.04960	8.6
73.02901	0.6
79.05463	36.3
81.03386	100.0
81.07021	39.2
83.04951	22.7
83.08589	29.9
85.02876	31.6
85.06513	1.5
86.09682	0.8
90.44054	0.6
91.05443	53.2
93.07007	27.7
95.04929	38.9
95.08564	14.2
97.02846	6.2
97.06500	8.2
97.10124	7.2
99.04381	1.0
99.08073	1.2
105.06998	38.6
107.04913	12.8
107.08557	11.1
109.02859	1.4
109.06468	6.7
109.10124	6.3
111.04412	4.8
111.08049	11.6
113.05977	4.5
115.05439	2.8
117.06963	3.5
119.04839	0.9
119.08537	29.8
121.06476	4.2
121.10101	12.9
123.08020	4.9
123.11647	2.8
125.09612	2.9
125.30907	0.6
127.03877	1.4
127.07529	0.8
129.05490	1.1
129.06947	19.6
131.08516	17.7
133.06471	5.4
133.10085	15.8
135.08043	1.0
137.09592	1.2
142.07753	4.1
143.08519	1.3
145.06496	0.9
145.10062	5.1
147.08003	4.7
147.11652	22.3
149.09566	8.8
151.11124	0.8
155.08386	0.8
157.10072	23.1
161.09546	0.9
163.11143	2.4
165.12741	6.2
173.09610	0.7
173.11661	0.7
175.11105	21.0
184.07310	3.4
189.11145	1.3
191.10593	0.8
193.12175	48.9
199.11230	0.8
211.13219	34.8
227.12732	0.8
249.14693	1.2
267.15805	44.8
273.14789	1.0
285.16873	21.5
301.14188	0.9
323.17950	0.7
367.22501	1.0
385.23587	3.6
403.24463	1.2
415.50949	0.8
429.21204	4.9
433.25504	1.5
441.26260	1.1
459.27267	36.8
477.28339	29.7
491.26050	1.0
495.29318	39.2
496.29349	0.9
513.28540	0.7
585.30042	0.9
603.31384	1.3
621.32391	3.7
639.33649	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	738.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
53.11827	2.4
55.01857	21.1
55.05497	66.1
57.03419	45.3
59.04982	56.0
61.02901	10.6
63.40125	2.1
67.05482	100.0
69.03378	5.7
69.07046	14.8
71.04975	23.5
71.14910	2.2
73.02909	2.7
78.25870	2.4
79.05476	60.1
81.03394	60.7
81.07021	59.0
82.60571	2.2
83.01320	11.7
83.04948	27.5
83.08591	39.7
85.02866	19.4
86.09624	2.9
87.04437	47.9
91.05449	38.0
92.08664	5.6
93.07014	56.2
95.04939	26.8
95.08575	28.8
97.02856	12.5
97.06490	13.3
97.10140	29.0
99.04412	25.1
103.05422	2.9
105.07005	25.7
107.04913	14.7
107.08568	39.2
109.06458	19.3
109.10131	58.3
111.04417	4.8
111.08060	9.5
117.06997	14.4
119.08546	28.4
121.06480	5.9
121.10114	16.8
123.08027	16.0
125.05920	3.0
125.09591	11.8
129.06956	13.8
130.07730	2.5
131.08553	17.7
133.10098	9.2
135.11662	20.5
137.09578	10.6
145.10088	38.2
147.07983	6.1
147.11644	16.0
155.08478	3.5
157.09985	8.0
163.03870	2.6
163.11108	38.0
173.09448	3.0
173.11635	14.1
175.11131	5.8
181.12141	3.5
184.07230	3.9
191.10570	2.9
193.12225	18.3
199.13217	9.7
209.11612	5.5
211.13297	3.2
227.12752	10.2
229.14252	37.0
267.15771	28.1
283.15295	71.7
285.16843	4.7
315.18060	11.4
425.25235	24.1
437.25220	82.8
450.21451	2.8
459.27441	28.0
474.22073	3.1
477.27939	17.4
481.29669	4.2
491.25861	2.9
541.29962	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	736.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01854	1.8
55.05500	27.5
55.52797	1.3
57.03422	22.0
57.07053	3.5
57.23246	1.2
60.67833	1.4
61.02908	6.7
67.05483	94.5
69.07039	17.9
71.04971	2.0
73.02892	1.7
78.51994	1.4
79.05463	92.3
81.07027	78.4
81.07491	3.4
83.08593	10.0
85.02900	3.2
85.06533	1.8
86.39467	1.6
91.03909	1.6
91.05454	40.6
93.06420	3.3
93.07008	89.1
93.07587	3.4
95.04945	7.1
95.08566	59.9
95.09141	3.0
97.02850	3.2
97.06487	3.2
97.10138	2.7
99.08049	5.7
105.04500	1.6
105.06998	35.6
107.08559	32.0
109.06511	2.6
109.10127	25.4
113.58847	1.5
117.06973	13.3
117.82036	1.4
119.08549	22.3
121.10112	35.9
123.11671	6.9
131.08548	24.2
133.10080	19.3
135.11676	21.4
143.08505	3.3
145.10074	19.5
147.11649	15.5
149.13246	7.3
157.10085	2.9
159.11613	16.4
161.13173	2.5
167.89030	1.6
171.11629	6.4
173.13251	8.2
185.12993	1.7
187.14690	1.7
189.16197	1.8
213.16357	3.7
215.17899	17.5
231.17419	3.1
233.18916	13.7
307.22559	100.0
309.24222	9.1
449.95135	1.7
483.37799	1.6
539.40900	12.7
551.53723	1.7
557.41797	12.1
595.63422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.05013	0.3
57.07045	0.3
58.06565	0.3
60.08145	9.2
67.05470	0.2
71.07351	4.2
71.08570	0.2
71.64507	0.1
81.07014	0.3
86.09679	44.5
91.05445	0.2
93.07018	0.2
95.08565	0.3
98.98433	3.2
104.10712	2.8
104.59335	0.2
124.99964	31.8
143.01006	0.7
178.64371	0.2
184.07286	100.0
185.07629	0.2
206.99995	0.2
283.15469	0.3
313.27124	0.2
367.33420	0.2
545.42053	0.2
574.73297	0.2
736.47363	12.0
737.47028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93117	2.2
55.05490	16.4
67.05489	33.5
67.77219	2.5
69.07037	6.3
72.38000	2.5
72.87115	2.4
79.05457	39.0
81.07014	32.1
83.08557	2.6
91.05455	17.3
92.08691	2.6
93.06988	40.4
95.08551	17.5
98.90888	2.8
105.07007	4.7
107.08541	17.0
109.10142	4.8
119.08590	6.6
121.10136	9.9
131.08551	3.6
135.11598	4.7
162.57739	3.0
203.06863	2.5
261.67001	3.3
271.40836	3.2
310.88428	2.9
435.07065	3.5
595.46973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62563	0.7
53.00271	0.8
53.03934	6.8
55.01862	13.6
55.05240	1.5
55.05497	30.7
55.56880	0.6
57.03416	20.8
57.07066	1.0
59.04972	4.7
61.02904	0.9
65.03899	1.4
67.05482	43.8
69.03405	12.5
69.07048	9.7
71.01326	1.8
71.04965	14.8
72.67097	0.7
73.02870	1.2
79.05463	51.2
81.03387	100.0
81.07026	50.1
82.07388	0.8
83.01331	7.5
83.04952	31.9
83.08593	36.2
84.88733	0.9
85.02876	30.2
85.06510	3.5
87.04433	0.8
89.96993	0.7
91.05446	51.1
93.07012	52.3
95.04931	38.5
95.08560	20.1
97.02849	13.0
97.06494	10.5
97.10119	7.2
99.04436	5.7
103.05394	0.9
105.07001	34.3
107.04929	29.4
107.08560	23.9
109.02862	4.7
109.06485	14.3
109.10136	9.4
111.04418	11.1
111.08056	11.1
112.93015	0.7
113.05962	1.3
115.05383	1.9
117.06982	12.6
119.08541	33.8
120.79501	0.7
121.06458	10.5
121.10093	18.6
123.04395	1.2
123.08036	11.5
125.02276	1.0
125.05951	3.5
125.09576	4.7
127.03864	5.5
129.05435	1.2
129.06963	18.2
131.04863	1.8
131.08510	16.6
133.06456	5.4
133.10077	12.3
135.04407	1.2
135.08017	3.9
135.11661	15.6
137.09583	3.7
141.06992	1.0
142.07768	3.6
143.08531	1.8
145.06445	3.4
145.10080	20.5
147.07959	6.6
147.11653	19.3
149.09586	9.2
149.96272	0.8
153.09087	0.9
153.12683	11.3
155.08516	4.4
157.10063	16.6
161.05951	1.0
161.09564	0.8
163.03896	0.8
163.11111	26.6
165.12669	2.0
173.09550	4.5
175.11136	13.3
181.12173	7.6
191.10670	5.9
193.12181	29.9
209.11702	5.3
211.13214	25.0
223.13275	0.9
227.12619	7.0
229.14331	1.8
231.08293	0.8
265.14246	4.4
267.15778	21.0
283.15320	21.4
285.16885	13.4
287.26871	0.9
288.42130	0.8
289.14374	0.9
365.20718	0.9
383.22168	3.7
401.23209	1.0
409.18320	1.4
409.25510	0.8
421.25671	3.6
427.19476	13.2
429.20938	4.2
457.25729	9.0
471.33246	1.1
475.26752	32.8
489.28061	2.9
493.27795	99.2
494.27618	1.6
601.30328	0.9
619.30817	5.2
637.31927	39.4
655.33093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.6
55.01851	4.1
58.99544	1.9
61.02904	0.6
65.03914	4.0
67.05475	1.1
69.03395	1.1
75.04446	4.4
77.03873	0.6
78.04668	1.1
79.05466	3.5
81.03367	2.0
81.07005	1.8
85.02886	4.6
86.38481	0.4
86.99012	0.8
89.03843	1.1
89.05975	0.8
91.04892	0.8
91.05439	15.8
92.62299	0.4
93.03363	13.4
93.07013	6.9
94.04131	0.6
95.04926	9.5
97.06492	4.5
101.00565	0.5
103.05428	25.0
105.03338	2.0
105.04482	0.5
105.06992	4.6
106.04135	33.0
107.04918	8.9
108.02060	0.8
108.05688	0.5
109.06491	5.0
110.03661	0.5
111.04377	2.3
115.05449	4.0
115.06131	0.5
117.06969	3.5
118.04099	5.3
119.04884	3.8
120.05676	0.6
121.06454	37.6
121.10098	0.5
122.03590	2.8
122.07236	0.5
123.04372	4.5
123.08051	0.7
124.05158	2.1
125.05935	11.2
129.06993	1.1
130.04056	0.9
131.04880	37.3
131.08511	0.7
132.05618	2.2
133.02794	5.6
133.06410	4.7
134.03578	5.2
135.04359	3.8
135.08000	2.1
137.05933	75.7
138.06709	1.0
139.07443	3.3
141.05402	2.0
143.04834	2.2
144.05649	0.9
145.02806	1.9
145.06415	4.9
145.21410	0.4
146.03606	0.6
147.04362	1.9
147.07986	0.9
148.05127	11.9
149.05933	54.7
151.02020	1.8
151.03856	56.6
151.04944	3.8
151.07422	3.7
152.04602	0.8
153.05435	4.3
153.09047	14.6
155.04881	0.6
155.06998	0.7
157.06387	1.0
159.04372	1.1
160.05119	2.3
161.05971	3.6
162.02998	0.9
163.03842	2.6
163.07477	24.6
165.05420	7.6
166.06171	2.0
167.06978	12.9
167.08270	0.9
171.04349	0.8
171.06534	0.6
173.05887	4.3
175.07483	4.5
176.04637	3.3
177.05397	37.9
178.05844	0.7
179.01569	1.9
179.07037	0.8
180.07739	2.4
181.04884	13.1
181.08510	23.2
182.05536	0.8
187.07475	1.1
189.05347	0.6
189.08942	0.9
190.06242	0.6
191.06964	58.4
192.07733	3.2
193.04959	0.8
193.08565	0.9
197.08023	5.5
201.05385	0.8
203.06944	3.0
205.06464	0.8
205.08540	2.8
209.08017	100.0
210.08337	0.9
217.08461	1.0
217.93558	0.6
219.10086	0.7
233.07948	0.9
235.07460	0.9
235.09590	0.9
237.09009	1.9
239.06975	0.6
249.08945	1.1
250.06143	0.6
263.09079	4.5
265.08472	0.9
266.09537	0.6
267.10135	0.7
277.08539	0.9
279.06714	0.5
281.05051	0.5
295.09552	1.8
297.11157	0.5
301.07300	6.8
313.07172	1.1
325.10339	1.7
327.11865	0.6
329.13760	1.0
355.11703	2.3
359.14490	0.9
361.46838	0.6
369.13205	0.9
387.14218	18.3
579.21790	0.8
636.77429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76221	0.2
54.73872	0.2
54.80741	0.3
56.05013	0.5
57.07060	0.2
59.74799	0.2
60.08141	8.8
61.25169	0.2
62.44054	0.2
67.05471	0.5
71.07339	4.4
79.05482	0.4
81.07023	0.3
84.11330	0.2
86.09673	49.4
87.09992	0.4
92.08607	0.4
95.04887	0.3
98.98409	4.1
104.10693	3.5
124.99955	34.7
143.01038	0.5
184.07271	100.0
420.97525	0.2
430.11569	0.3
436.10202	0.3
724.91736	0.3
734.49420	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	735.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62052	1.8
79.20756	2.0
88.14284	2.3
95.08598	2.9
117.01395	2.3
122.52789	2.3
248.57745	2.2
337.88809	2.3
469.26523	2.7
735.37024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	17.1
57.03425	27.6
57.07056	48.5
59.04969	3.3
60.62075	3.3
67.05486	35.2
69.03413	4.6
69.07034	25.3
71.04957	4.6
71.08607	36.6
79.05467	32.4
81.03394	67.1
81.07036	43.1
83.04956	17.6
83.08592	40.1
85.02869	32.1
85.10152	16.4
86.09673	21.3
91.05428	30.1
93.07011	22.1
95.01324	3.9
95.04926	20.4
95.08577	32.9
97.06508	4.3
97.10147	4.6
103.10619	3.8
105.06989	22.6
107.04876	5.6
107.08553	5.2
109.06477	5.2
109.10088	8.4
111.08031	6.5
119.08534	18.7
121.10094	6.0
124.99947	15.4
125.70957	3.7
126.48425	3.3
129.06975	6.3
131.08516	15.7
133.10059	13.9
141.01836	4.0
147.11627	9.1
157.10039	19.6
175.11194	6.8
184.07263	29.5
193.12212	35.3
211.13216	40.1
257.34070	4.0
267.15857	16.0
268.90689	4.8
285.16913	61.9
313.27267	72.0
505.38730	14.3
523.39832	100.0
557.52222	5.3
735.33502	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	734.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.5
55.01855	26.2
55.05496	38.1
57.03413	21.6
57.07067	3.4
59.04968	4.7
61.02902	3.2
63.22914	2.2
63.63790	1.7
67.05484	38.9
69.03395	22.6
69.07035	13.1
71.04963	12.2
73.02977	2.3
78.77581	2.3
79.05460	58.8
81.03384	65.9
81.07021	50.3
83.01316	21.7
83.04947	40.2
83.08588	28.2
84.63074	2.0
85.02879	19.3
91.05444	43.1
93.07007	74.2
93.07917	2.5
95.04938	24.1
95.08569	24.6
97.02843	17.5
97.06490	11.6
97.10131	4.9
99.04424	13.1
105.06990	28.1
107.04923	38.5
107.08558	46.8
109.02850	9.7
109.06484	15.6
109.10075	4.3
110.99490	2.6
111.04430	17.6
111.08021	9.4
115.05479	2.3
117.06985	20.3
119.08543	26.2
121.06480	10.0
121.10100	25.5
123.07999	25.6
125.05982	3.5
127.03880	11.9
129.06923	2.9
130.07721	5.5
131.08537	16.2
133.10167	3.3
135.04431	2.7
135.08034	5.3
135.11646	39.5
137.09557	3.0
142.15012	2.2
143.08578	2.9
145.10081	43.7
153.12663	21.1
155.08501	4.5
163.11122	65.8
173.09590	5.0
181.12173	18.8
191.10667	10.3
209.11708	3.7
212.23628	20.6
213.24187	2.2
227.12737	16.9
230.24731	12.3
236.90404	2.3
265.14230	3.2
283.15308	73.2
353.15714	4.2
406.50879	2.7
427.19455	40.4
473.25153	8.7
491.26187	100.0
509.27411	3.7
617.29266	3.9
635.30328	71.5
653.31744	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	734.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
54.96560	0.2
54.99886	0.2
55.01852	0.4
55.05486	0.3
57.03383	0.3
58.79959	0.2
64.86044	0.2
66.66980	0.2
69.03397	1.0
72.66052	0.2
76.98804	0.3
79.05472	0.3
81.03386	6.2
81.07013	0.3
85.02873	1.0
91.05454	2.6
93.24251	0.2
94.04128	0.5
95.04928	0.4
97.02840	0.3
99.04434	0.3
103.05438	1.9
103.08830	0.2
103.58471	0.2
105.06973	2.1
107.04918	0.5
109.06492	0.3
115.05413	1.0
117.03326	1.1
117.06998	0.4
119.04916	3.5
122.03605	2.7
125.05970	0.4
128.06152	0.4
129.06927	2.4
130.04117	0.4
131.04868	4.7
133.02777	0.3
133.06432	2.1
135.04405	0.4
137.05934	100.0
138.06242	0.4
143.04892	0.9
144.05690	0.4
145.02809	4.7
145.06442	1.3
146.23383	0.2
147.04375	3.4
147.08043	0.3
149.05940	0.6
151.03825	3.0
151.07469	2.0
157.06439	2.7
159.04446	0.3
159.08049	0.3
160.05124	2.5
161.05922	3.0
162.06676	1.5
163.03816	1.0
163.07466	3.3
163.88373	0.3
165.05373	0.2
167.06999	0.5
173.05942	0.4
174.06721	1.4
174.25110	0.2
175.07484	12.4
177.05421	6.9
177.09117	0.2
179.06966	0.5
184.05205	0.3
185.05931	0.4
187.07480	4.7
188.08148	0.5
189.08975	2.5
191.06926	0.4
199.07375	2.2
203.06908	0.4
205.08534	9.0
207.07961	0.5
207.09917	0.3
217.08586	3.4
229.08382	0.3
235.07481	0.4
235.09547	3.8
253.08405	0.3
265.08658	0.3
267.10059	1.1
281.08063	0.3
282.08908	0.3
283.09521	0.3
291.09885	0.4
297.10999	0.4
321.11209	0.3
335.08783	0.3
335.12759	0.5
339.10922	0.3
347.12616	0.3
355.41125	0.2
365.13608	0.4
459.17490	0.3
487.17200	0.9
489.18671	0.5
519.19885	1.4
533.19897	0.2
577.00494	0.3
692.69598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	8.2
61.02887	6.2
67.05466	4.9
67.16145	1.0
69.03392	1.8
69.07037	1.6
71.07344	1.4
73.02882	4.3
73.63950	0.9
74.32987	0.9
75.32446	0.8
79.05472	1.2
81.03399	1.8
81.07014	4.5
85.02863	5.2
86.09175	1.7
86.09676	43.1
87.09995	4.4
91.03872	1.4
91.05444	2.3
93.06988	6.0
95.08574	2.3
97.02856	2.2
98.22113	1.0
98.98406	1.7
100.42024	1.0
101.02368	1.1
104.10691	1.9
105.06979	1.8
107.08579	1.2
109.10110	2.3
111.11404	1.0
124.99955	37.4
126.62597	1.0
134.28767	1.2
184.07278	100.0
185.07616	7.1
237.10805	1.3
306.44659	1.3
455.18698	2.5
519.29071	6.6
732.47858	2.7
733.40607	72.1
734.41241	1.6
757.37909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	2.9
56.09470	1.4
60.08120	8.7
61.02879	2.2
67.05467	6.3
68.98798	1.7
69.07014	3.3
79.05443	2.7
81.03381	2.0
81.06998	4.0
85.02860	2.1
86.09670	39.8
86.92955	1.7
87.10001	3.6
91.05439	1.8
93.06990	2.8
95.08537	2.3
98.50262	1.8
98.98388	2.8
104.10659	2.4
121.10117	1.8
124.99267	1.7
124.99966	28.1
127.00315	2.1
129.05301	1.8
142.14671	2.1
175.08545	1.6
184.07274	78.5
185.07616	14.7
186.07680	6.8
455.21835	2.3
732.46466	3.2
733.38336	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20123	0.4
53.03929	0.5
55.01850	0.8
55.05486	2.9
55.68465	0.4
56.96528	0.7
57.03420	3.5
61.02896	4.4
67.05476	6.5
68.20978	0.4
69.03407	2.9
69.07040	2.6
70.46976	0.5
71.01316	0.4
73.02879	3.7
79.05460	6.9
81.03386	7.1
81.07011	5.9
83.04943	0.5
83.08598	0.9
85.02876	4.9
87.67659	0.4
91.03927	3.1
91.05438	6.6
92.08713	1.2
93.07012	9.3
94.07336	0.7
95.04921	0.9
95.08572	4.8
97.02840	4.9
97.06468	0.6
97.10119	0.8
101.02364	2.5
105.06998	3.7
107.08566	4.0
109.10148	2.0
111.55209	0.4
117.06997	1.0
119.08565	3.1
121.06505	0.5
121.10127	2.0
127.03877	1.7
129.06929	0.6
131.08557	2.0
133.10074	2.4
135.11682	5.1
137.09633	0.6
145.10114	1.5
147.11658	0.5
159.11673	0.7
165.09079	0.5
173.13220	0.6
181.12256	0.7
185.04228	1.0
213.04350	0.6
221.11456	1.9
231.07640	0.5
239.02245	1.8
239.12807	1.7
243.08395	2.7
257.03131	0.8
259.20673	0.5
263.02054	0.5
335.25861	1.8
336.26071	1.0
337.92911	0.5
362.34586	0.5
373.11108	0.9
429.17252	0.6
439.19150	9.8
500.34512	0.7
511.21457	1.0
518.35321	1.0
527.30707	0.5
535.28741	6.7
545.31281	0.5
551.32898	0.5
733.41107	100.0
734.41968	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	732.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26796	0.9
52.79632	0.7
55.05497	9.2
55.91893	0.8
57.07050	4.5
58.06575	4.4
63.94821	0.9
69.07048	12.0
71.08620	2.2
81.07045	1.5
83.08592	9.2
85.10168	1.6
95.04937	1.2
97.10140	5.1
111.11729	1.4
119.08555	1.1
127.68389	0.9
160.77800	1.1
212.23663	100.0
213.23993	2.1
230.24710	75.4
230.88548	1.1
308.01889	0.9
328.62943	0.9
338.29440	1.0
540.32294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.8
62.55323	1.2
67.05476	2.9
73.02908	1.3
79.05422	1.6
81.07026	1.9
83.08586	2.0
86.09648	5.3
89.07534	1.4
91.05424	2.8
93.06987	2.4
95.04910	1.4
95.08551	2.7
95.15752	1.4
95.39668	1.2
97.02805	1.8
103.08311	1.3
105.06954	3.0
115.03608	1.3
124.99944	2.4
153.74214	1.3
184.07298	18.0
186.07765	1.5
195.00226	24.3
286.93634	1.4
329.84775	1.5
350.78232	1.4
495.94949	1.5
507.24936	1.4
525.34912	6.1
561.37579	16.0
697.36267	13.9
710.65546	1.6
733.34778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17149	0.3
53.53119	0.2
53.70474	0.2
56.05006	0.5
56.34338	0.2
57.07032	0.3
58.06573	0.2
60.08140	8.0
67.05486	0.3
68.01978	0.3
70.97819	0.2
71.07346	4.1
72.10218	0.2
86.09670	44.8
98.98429	3.7
104.10696	2.9
112.24032	0.2
124.99953	33.1
143.00974	0.5
148.46893	0.3
184.07271	100.0
238.56985	0.3
254.98633	0.3
371.75403	0.3
558.23035	0.3
732.47742	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	732.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	16.1
56.05019	5.8
57.07053	5.6
60.04503	90.3
67.05473	20.8
69.07035	21.3
71.08598	4.8
79.05474	8.7
81.07011	24.7
83.08593	9.4
91.05438	17.1
92.08725	8.3
93.06987	15.3
94.06561	3.7
95.08558	18.6
97.10127	8.1
105.07025	5.7
106.59275	3.6
107.08538	7.1
109.10126	7.5
118.28008	4.3
119.08562	8.5
133.10095	5.5
135.11679	4.4
141.46266	4.0
144.32874	3.5
152.82475	4.0
176.24269	4.1
203.22276	3.7
212.43742	4.4
223.98430	3.4
262.25262	43.3
263.23657	4.7
272.25836	3.9
280.26343	27.6
298.27356	9.1
341.43457	4.2
534.48114	16.8
552.49640	100.0
570.50494	54.1
619.40295	4.2
626.01788	4.1
676.38989	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	732.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.1
56.02576	0.1
56.05009	0.7
57.07054	0.3
58.06588	0.5
59.07360	0.1
60.08144	9.2
67.05463	0.5
70.06522	0.1
70.08542	0.1
71.07345	4.5
71.08595	0.1
79.05450	0.4
81.03382	0.1
81.07008	0.6
83.08580	0.2
86.09676	47.7
87.04409	0.1
87.09991	0.1
89.06004	0.8
91.05444	0.2
93.06994	0.4
95.08562	0.5
98.98435	4.2
104.10710	3.5
115.01294	0.1
121.10126	0.1
124.99960	33.1
133.08557	0.2
133.10092	0.1
139.45039	0.1
143.01022	0.6
182.57632	0.1
184.07281	100.0
185.07657	0.4
221.13901	0.1
393.83636	0.1
468.23312	0.1
572.01611	0.1
732.47760	7.9
733.48419	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33596	0.1
51.71901	0.1
55.05485	0.3
56.05011	0.3
58.06565	0.2
60.08141	8.8
63.63160	0.1
67.05474	0.7
69.07035	0.2
70.06547	0.1
71.07345	4.3
81.07037	0.2
86.09676	45.5
91.05441	0.3
95.08563	0.3
96.47919	0.2
98.25624	0.1
98.98434	3.6
104.10701	3.6
107.04993	0.1
110.52325	0.1
112.82648	0.1
116.99438	0.2
120.41046	0.1
121.10118	0.2
124.99958	34.3
143.01001	0.9
184.07277	100.0
185.07683	0.6
255.54089	0.2
680.98065	0.1
732.47821	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	731.432
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54511	0.7
54.73635	0.7
55.05486	3.3
57.03416	1.7
61.02906	8.1
61.03169	0.9
67.05482	10.5
69.03411	3.3
69.07039	3.1
73.02896	4.8
76.72939	0.8
79.05470	5.8
81.03390	1.8
81.07029	8.8
83.08598	0.9
85.02885	4.6
85.73147	0.7
86.09666	1.8
90.33233	0.7
91.03925	1.8
91.05477	3.1
93.07000	8.4
95.08586	3.6
97.02865	5.5
99.04386	1.0
101.02307	1.0
101.90726	0.7
104.96042	0.8
105.07027	1.0
107.08574	4.5
109.10142	1.2
119.08566	1.3
121.10105	1.3
125.00021	1.1
127.03895	1.6
149.13242	3.3
184.07353	3.5
220.44205	0.8
243.08395	1.9
345.19714	0.9
349.40909	0.9
393.92151	0.9
453.20880	8.7
464.69159	0.9
519.28644	5.7
731.43140	100.0
732.43146	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27328	0.2
53.92368	0.2
74.40672	0.3
76.12614	0.2
89.03870	0.3
91.88164	0.2
92.09338	0.5
93.54677	0.3
102.66244	0.3
117.03349	0.4
135.04373	1.1
145.02809	1.2
160.32468	0.3
163.03827	6.8
164.04164	0.5
165.04411	0.4
179.03059	0.5
185.02071	1.3
192.58179	0.2
197.04134	1.9
215.05180	5.1
230.58469	0.3
277.02271	0.3
331.07980	0.4
359.07120	1.6
377.08276	100.0
378.08783	1.9
408.41806	0.3
517.74817	0.3
560.01471	0.3
697.47070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95811	0.2
82.94231	0.3
89.03918	0.3
93.69116	0.3
100.45439	0.3
117.03337	0.6
135.04390	1.6
145.02838	1.2
163.03850	7.4
164.04196	1.2
165.04381	0.3
179.03104	0.6
185.02074	1.7
192.42264	0.3
197.04166	1.6
215.05171	6.0
222.31877	0.3
250.88496	0.3
323.84042	0.3
331.07715	0.4
359.07541	2.0
377.08295	100.0
378.08682	1.2
531.38495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42920	0.2
61.49852	0.2
63.30283	0.2
70.53892	0.2
81.33479	0.2
82.14614	0.2
91.05434	0.5
95.04890	0.3
117.03349	0.9
118.03679	0.3
119.04900	1.2
135.04399	2.0
137.05945	1.1
139.03850	0.3
145.02808	2.4
147.04382	3.8
148.04720	0.4
163.03850	9.6
164.04167	1.1
165.04485	0.3
179.03143	0.6
185.02065	1.7
197.04196	1.9
202.83228	0.2
203.03087	1.2
215.05219	8.1
221.02969	0.5
237.00641	0.6
323.33884	0.3
331.07733	1.6
359.07214	5.9
368.83914	0.3
375.42334	0.3
376.07031	1.0
377.08301	100.0
378.08612	1.8
393.06049	1.2
401.36499	0.3
614.23303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72512	0.5
53.03945	0.8
55.05491	6.0
57.03415	4.0
57.07055	1.1
60.08141	9.9
61.02895	1.0
67.05478	22.9
69.03412	0.7
69.07048	5.9
71.04963	1.3
71.07334	4.6
71.08578	0.9
78.66337	0.6
79.05459	13.4
80.12572	0.7
81.03393	2.9
81.07018	15.6
83.04947	1.5
83.08595	2.9
86.09673	45.5
91.05432	8.2
92.09393	2.9
92.62726	0.7
93.07001	17.2
95.04906	1.1
95.08572	9.5
97.02832	1.0
97.06497	3.9
97.10138	1.0
98.98402	2.7
104.10706	1.2
105.07002	4.4
107.08560	9.0
109.10112	13.1
111.08052	0.8
117.06954	0.9
119.08572	4.6
121.10094	5.8
124.99954	31.6
131.08507	1.6
133.10078	3.1
135.08025	0.8
135.11650	9.4
144.64191	0.7
145.10081	3.7
147.11603	0.7
149.13193	1.0
163.11122	0.8
173.11702	1.0
181.12184	0.9
184.07269	100.0
185.07698	1.0
229.14273	3.4
255.15764	4.4
261.22043	1.3
273.16812	3.8
335.25601	9.2
489.35638	12.5
505.38617	3.9
514.06207	0.8
515.37286	1.0
521.48840	0.7
522.38324	0.7
533.38348	8.0
730.46722	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	730.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55745	1.8
54.80803	2.4
55.05487	3.9
57.06826	2.8
57.07059	49.8
64.24507	1.9
67.05448	2.4
69.07027	5.2
71.08606	34.9
73.06512	9.6
81.07013	4.9
83.08588	4.2
85.10175	18.8
86.09675	10.3
87.04432	5.1
89.05469	4.2
89.06000	100.0
107.07019	2.2
108.30049	2.2
115.96162	2.1
117.09060	3.6
124.99935	4.2
133.08534	35.9
134.72916	2.1
146.39447	2.2
152.87605	2.7
154.13779	2.6
167.96671	2.4
173.33601	2.2
177.11143	13.0
184.07188	19.1
221.13728	3.1
266.62958	2.3
283.17505	3.5
291.74783	2.6
299.29269	5.4
299.38940	2.8
322.37112	2.4
343.31912	3.3
412.07162	2.8
534.27863	2.5
713.53308	5.3
730.55548	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	730.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91884	0.1
54.71722	0.1
55.05483	0.2
56.05006	0.5
57.03440	0.1
57.07044	0.4
58.06561	0.2
59.04969	0.9
60.08138	8.4
61.61148	0.1
67.05486	0.9
69.07014	0.2
71.07342	4.5
79.05447	0.4
81.07043	0.8
83.08581	0.2
85.06462	0.1
86.09669	46.8
87.10004	0.1
91.05443	0.2
93.07010	0.7
95.04930	0.1
95.08574	0.8
97.10136	0.1
98.98415	3.9
103.66023	0.1
104.10697	2.8
104.26172	0.1
105.06970	0.2
107.08559	0.2
109.10120	0.1
117.09163	0.1
117.80077	0.1
119.08537	0.2
124.99948	33.7
133.10101	0.1
143.01019	0.7
162.13588	0.1
165.86632	0.1
166.16870	0.1
184.07265	100.0
185.07552	0.4
264.65836	0.1
335.25806	0.2
336.26175	0.2
466.21933	0.1
532.41113	0.1
730.46185	7.2
731.46887	0.2
736.65814	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	730.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
57.07046	0.3
59.04988	0.2
60.08146	9.0
61.46347	0.2
64.32552	0.2
66.35790	0.2
67.05479	1.2
69.03401	0.2
69.07043	0.9
70.18406	0.2
71.07350	5.2
79.05478	0.4
81.07021	1.0
81.08794	0.2
83.08607	0.3
85.02872	0.2
86.09677	51.5
87.10008	0.3
91.05442	0.4
92.09381	0.3
93.07002	0.4
95.08576	0.3
98.98428	4.6
104.10715	3.3
105.07037	0.3
109.10080	0.3
117.64380	0.2
121.10126	0.2
123.11662	0.2
124.99961	34.4
125.16920	0.2
133.10103	0.4
134.35733	0.2
143.01006	1.0
184.07281	100.0
185.07481	0.4
253.14267	0.2
291.64853	0.2
729.41339	0.3
730.46161	9.0
731.45044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80637	0.1
56.05007	0.8
58.06579	0.2
60.08141	9.0
63.95397	0.1
67.05458	0.4
69.07027	0.2
70.06541	0.1
71.07345	4.3
79.05477	0.2
81.07028	0.3
86.09673	47.2
87.10004	0.1
91.05453	0.5
92.53658	0.1
93.07023	0.2
95.08558	0.2
98.98428	3.8
104.10692	2.6
116.99475	0.2
119.08514	0.2
124.99953	34.0
137.55164	0.1
143.00975	0.6
184.07274	100.0
185.07637	0.5
195.93805	0.1
730.46240	7.5
730.59125	0.3
731.45422	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	730.464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48968	0.2
55.05499	0.3
56.05019	0.4
60.08144	8.8
64.32619	0.2
67.05476	1.4
69.07036	0.3
71.07342	4.3
73.82879	0.2
79.05458	0.9
81.03413	0.3
81.07018	1.4
86.09676	45.4
86.75834	0.2
88.75938	0.2
91.05466	0.9
92.09305	0.4
93.07011	0.9
95.08570	0.6
97.34176	0.2
98.98433	3.7
104.10713	3.1
105.06982	0.3
107.08562	0.4
109.10089	0.3
119.08520	0.4
124.99960	32.4
135.11624	0.3
138.83272	0.2
143.00970	0.4
144.56032	0.2
184.07280	100.0
185.07585	0.3
278.73712	0.2
320.06110	0.3
505.38828	0.3
565.01636	0.3
730.46332	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	729.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.05495	3.3
57.03419	1.8
58.42522	0.6
59.66849	0.8
59.68015	0.6
60.08146	1.1
60.11402	0.7
61.02900	5.6
63.84986	0.6
67.05484	10.7
69.03389	1.5
69.07031	1.7
73.02888	4.9
79.05463	7.0
82.18465	0.8
83.04969	0.8
83.08598	1.5
85.02887	5.4
86.09692	6.2
90.67185	0.8
91.03918	1.6
91.05448	4.8
92.08588	2.1
93.07018	6.7
95.04959	1.3
95.08564	7.2
97.02863	3.8
99.04421	1.0
99.19370	0.7
99.27356	0.7
101.02344	3.1
103.03907	0.9
105.07001	3.5
107.08588	4.0
109.06496	1.1
109.10114	3.2
117.07073	0.7
119.08559	3.6
121.10096	3.7
122.61447	0.7
124.99996	5.1
127.03902	1.1
127.71957	0.7
130.33232	0.7
131.08519	1.3
133.10109	1.5
135.11673	1.1
147.11655	1.4
184.07248	14.5
210.97623	1.0
224.78616	0.8
243.08348	1.0
271.15414	1.0
335.25781	1.3
451.19412	5.4
459.07788	0.9
468.37943	0.8
508.96750	0.9
519.29211	4.2
557.32562	1.3
729.41644	100.0
730.43207	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	729.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01860	0.7
55.05505	1.5
57.03421	2.4
61.02901	9.1
61.03185	0.7
67.05484	5.2
68.92211	0.5
69.03407	3.1
69.53614	0.5
70.23717	0.6
71.01314	0.8
73.02890	3.8
79.05467	4.6
83.08601	2.5
85.02880	7.1
86.09697	1.1
91.03918	3.7
91.05446	2.5
92.63614	0.7
93.07005	4.6
95.04950	3.0
95.08575	3.1
97.02859	6.8
101.02373	2.9
105.07019	3.0
107.08572	1.3
109.02937	0.8
109.10099	0.7
119.08579	0.9
121.10128	0.6
127.03909	1.0
131.08553	1.2
135.11659	1.1
147.11652	0.7
184.07317	3.6
185.04182	0.7
243.08434	1.2
263.86386	0.6
399.80676	0.6
430.30258	0.7
451.19357	4.6
519.29376	8.0
729.41553	100.0
730.41974	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	729.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	1.2
56.96561	0.7
57.03424	1.0
59.04975	0.8
61.02913	6.1
65.35322	0.8
67.05483	5.6
67.65218	0.8
69.03406	4.3
69.07047	1.2
71.04967	1.7
73.02891	4.8
79.05463	3.9
83.04964	1.1
85.02875	6.6
85.06530	0.9
91.03919	1.4
91.05450	5.8
93.07014	5.7
95.04927	1.5
95.08583	3.5
97.02821	6.4
97.06480	1.8
101.02363	1.2
105.07011	5.5
107.08587	3.3
109.02809	1.3
109.10170	1.5
111.08048	1.0
119.08566	4.5
119.48830	1.2
121.10104	3.4
123.11684	1.2
127.03923	1.0
131.08578	1.0
145.10132	1.1
147.11642	6.5
149.09596	1.5
157.10091	1.4
185.04149	1.1
193.12253	2.0
197.54959	0.9
204.26215	0.9
237.06332	0.9
243.08461	1.7
251.12422	1.6
267.15930	4.2
283.15143	3.5
285.17093	1.0
307.14975	1.0
422.58939	1.0
451.19089	1.2
469.20309	12.5
501.23013	11.3
679.32922	5.7
726.74475	1.1
729.36432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.05498	0.7
57.03415	1.9
59.04990	0.7
61.02903	5.7
67.05489	3.2
69.03411	3.8
69.07024	0.6
71.04974	1.6
71.98498	0.4
73.02891	4.8
79.05461	4.7
83.04947	0.9
83.08582	0.9
85.02887	6.1
85.06533	0.4
91.03931	3.0
91.05450	4.4
93.07007	2.7
95.04914	3.0
95.08548	1.5
96.54843	0.4
97.02862	4.9
97.06522	0.7
99.04427	0.6
99.49815	0.4
101.02340	1.9
103.03886	0.4
105.07023	4.0
107.04950	0.6
107.08572	2.2
109.02841	0.8
109.06495	0.7
111.08058	0.8
119.08549	2.6
120.95748	0.5
121.10105	2.5
123.08002	0.6
127.00134	0.4
127.03870	1.9
129.06989	1.9
131.08545	2.5
132.52277	0.4
133.10106	2.4
145.04977	0.5
147.11621	2.9
149.09601	2.6
157.10138	1.6
175.11182	1.0
193.12181	3.7
197.15321	0.6
203.05315	0.6
225.14996	0.6
243.08452	2.2
251.12541	0.8
267.15915	1.0
283.14981	5.9
302.67282	0.5
307.14838	0.6
339.17780	0.6
440.31848	0.4
469.20230	12.2
501.22836	12.5
567.31268	0.7
729.36432	100.0
730.36780	2.7
741.98694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87446	1.4
53.00265	1.9
53.03925	3.5
55.01856	3.2
55.05493	29.1
57.03196	1.6
57.03418	25.5
57.07039	3.7
61.02915	1.7
65.03910	5.9
65.68203	1.3
67.05476	79.4
69.03389	2.1
69.07040	27.6
71.01309	3.0
71.04948	8.1
73.02909	1.7
73.49825	1.3
77.24501	1.5
79.05460	84.5
81.03380	3.2
81.07021	56.0
83.04939	10.5
83.06688	1.5
83.08595	11.0
85.02871	3.2
85.06493	3.9
86.09660	9.6
91.05441	79.4
92.08662	4.3
93.07003	100.0
95.04926	12.6
95.08572	31.8
97.06477	11.7
97.10135	14.8
99.08046	3.3
105.04468	1.9
105.06989	86.8
107.08556	58.4
109.06483	3.1
109.10123	20.2
111.08063	2.6
115.05444	1.6
117.06981	26.9
119.08532	69.6
121.06411	1.9
121.10105	28.1
123.08000	2.0
123.11645	2.9
124.99944	8.3
128.06189	2.2
129.06918	11.1
130.07726	2.3
131.08521	28.7
133.10074	53.0
135.07991	6.1
135.10669	2.9
135.11641	56.6
137.09534	2.4
143.08484	15.8
145.10071	31.5
147.11629	41.3
148.60123	1.5
149.09544	1.6
149.13217	10.7
151.11076	2.2
155.08496	1.6
157.10077	11.2
159.11620	16.9
161.13205	23.0
163.11127	7.9
171.11630	13.4
173.13136	10.8
175.14732	11.7
177.12646	2.4
181.10207	1.4
181.12132	10.1
184.07274	18.3
185.13190	9.6
187.14789	2.1
199.13116	2.1
199.14760	7.8
199.40274	1.5
201.16208	2.0
213.16286	1.8
219.02950	1.5
231.20956	3.0
240.26602	3.5
241.19391	19.6
253.14154	7.6
255.15819	53.1
259.20444	63.5
275.19702	1.8
315.23218	2.9
333.24066	31.8
374.13431	1.6
421.30933	5.5
439.31735	3.4
495.34360	2.7
503.37128	2.4
513.35577	58.9
525.81818	2.1
531.36755	21.1
728.44739	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	728.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95667	0.9
53.03930	1.8
53.64283	1.0
55.01858	8.7
55.05499	11.7
57.03422	10.4
57.07050	1.7
61.02888	2.0
63.99961	1.0
67.05480	57.5
68.46791	1.0
69.03402	4.4
69.07041	15.7
71.04967	5.8
79.05460	29.7
81.03378	2.4
81.07024	55.4
83.04939	8.1
83.08578	4.2
85.02849	1.4
85.06513	7.2
86.09688	10.9
91.05444	39.3
92.09245	1.8
93.07011	33.6
95.04926	8.0
95.08571	26.9
97.02831	1.3
97.06486	1.9
99.04394	1.2
105.06989	38.1
107.07800	1.2
107.08555	41.9
109.06478	5.6
109.10121	64.3
113.05967	1.4
117.06976	1.8
119.08539	9.8
121.10085	10.6
123.11668	13.6
124.99955	7.1
127.07488	2.4
128.06204	1.1
131.08516	7.2
133.10081	70.7
135.11613	7.5
145.10062	2.7
147.11690	2.1
149.13177	2.5
151.11136	30.5
159.11630	1.4
161.09639	1.3
161.13190	2.4
163.14859	2.0
169.12228	2.4
183.34050	1.2
184.07274	21.0
215.12686	1.4
243.21228	1.5
253.14240	100.0
261.21997	12.5
271.15277	26.6
279.62238	1.3
301.35666	1.1
335.25687	25.6
434.95444	1.2
457.33124	1.5
513.35547	9.5
531.28644	1.5
531.36609	40.9
728.43402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69950	0.8
52.61814	0.6
53.03921	4.0
55.01852	7.4
55.05277	0.9
55.05496	14.5
57.03421	12.9
57.07055	3.6
60.08135	3.3
61.02902	3.2
65.03899	2.0
67.05484	66.1
69.03408	4.5
69.06728	1.1
69.07049	16.5
71.04959	5.4
71.07333	1.1
71.08629	0.9
76.97631	0.9
79.05465	38.8
81.03376	5.0
81.07028	68.5
83.04958	9.2
83.08590	7.1
85.02863	4.2
85.06519	6.5
86.09682	17.8
91.05447	45.3
93.07008	38.9
95.04929	9.4
95.08575	27.1
97.02853	1.6
97.06495	3.6
97.10126	3.2
98.98482	1.1
99.04407	1.5
101.05957	0.9
104.10706	0.9
105.07000	40.2
107.08563	44.1
109.06502	6.0
109.10130	67.3
111.08099	1.0
113.05985	1.9
117.06965	3.8
119.08538	9.4
120.82024	0.8
121.10101	10.8
123.07953	1.3
123.11669	11.7
124.99954	12.0
125.09543	1.0
127.07498	3.4
131.08571	5.8
133.10089	70.6
135.11665	6.7
145.10057	3.8
146.98164	2.0
147.11653	1.8
149.13210	3.4
151.11139	33.6
159.11673	3.0
161.09583	1.7
169.12190	5.5
173.13237	1.2
179.10632	1.0
184.07277	35.2
191.69032	0.9
215.12759	3.3
217.89789	0.9
243.21101	1.2
253.14253	100.0
261.22052	10.6
271.15314	28.2
279.23001	1.3
317.24594	1.7
335.25696	47.9
457.32886	1.6
513.35449	7.8
521.38409	1.0
531.36609	61.3
532.36499	1.5
545.37311	3.2
669.36847	5.0
728.44348	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	728.448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65820	0.1
54.78831	0.1
56.05011	0.3
58.06577	0.2
60.08144	9.1
66.36248	0.2
67.05463	0.7
70.80811	0.2
71.07343	4.0
81.07040	0.3
86.09676	45.1
89.29315	0.1
91.04048	0.1
92.08730	0.2
93.07032	0.3
95.08538	0.2
98.98434	4.0
101.90931	0.1
104.10698	2.9
119.08584	0.2
124.99959	32.9
129.36473	0.2
143.01035	0.4
144.21207	0.1
184.07278	100.0
403.00351	0.2
566.65784	0.2
636.62048	0.2
636.74725	0.1
644.57446	0.2
663.44598	0.2
728.31781	0.3
728.44690	9.7
729.44171	0.2
740.77631	0.2
751.84729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81012	0.1
55.05475	0.1
56.05014	0.7
58.06588	0.4
59.07347	0.1
60.08142	8.5
67.05474	0.5
69.07043	0.1
71.07343	4.4
79.05457	0.3
81.07010	0.1
86.09673	46.0
91.05441	0.4
93.06988	0.4
95.04922	0.2
95.08544	0.1
98.98425	3.6
104.10709	2.8
105.06989	0.2
107.08542	0.1
109.10160	0.1
119.08556	0.1
124.99955	34.3
131.08537	0.1
133.10156	0.1
143.01024	0.6
184.07275	100.0
185.07701	0.2
432.90408	0.1
468.23773	0.1
577.23920	0.1
728.44678	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	728.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.8
58.06571	0.2
59.07347	0.1
60.08142	8.3
61.83330	0.1
67.05473	0.4
68.55715	0.1
71.06950	0.2
71.07346	4.2
73.58727	0.1
79.05473	0.4
81.07033	0.4
86.09676	45.1
91.05461	0.2
93.07012	0.4
93.86613	0.1
95.08562	0.1
97.24222	0.1
98.98428	4.4
104.10714	3.1
105.07009	0.1
107.08611	0.1
124.99960	32.9
141.32898	0.1
143.01009	0.5
161.31934	0.1
163.27165	0.1
184.07281	100.0
185.07640	0.4
189.05409	0.1
322.42542	0.1
451.35373	0.1
489.38870	0.1
518.32611	0.1
551.42456	0.1
728.44739	8.4
729.45081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81017	0.2
56.05017	0.4
56.56540	0.1
60.08142	8.7
61.92603	0.2
67.05479	0.4
71.07343	4.5
79.05466	0.3
81.07031	0.8
86.09676	45.9
91.05436	0.3
93.06982	0.4
95.08573	0.3
95.51848	0.2
98.98432	3.9
104.10693	2.5
119.60621	0.2
124.99958	32.7
143.00958	0.3
161.97009	0.2
184.07278	100.0
225.24277	0.2
276.16821	0.2
285.66107	0.2
363.15637	0.2
444.91968	0.2
728.44739	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	727.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47270	0.3
53.03919	0.7
54.36176	0.3
54.80800	0.4
55.01852	0.7
55.05488	2.1
57.03419	3.1
58.79204	0.3
59.04974	0.6
61.02903	7.0
67.05487	3.4
67.88716	0.3
69.03410	3.7
69.07045	0.6
71.04971	1.9
73.02887	3.5
75.71525	0.3
79.05452	4.4
80.33942	0.3
81.03392	6.9
81.07028	4.1
83.04952	1.4
83.08587	1.7
85.02872	5.8
85.64786	0.3
87.04461	0.4
88.69128	0.3
91.03909	2.5
91.05441	5.1
93.07014	4.8
95.04430	0.4
95.04928	2.8
95.08577	1.6
97.02848	6.7
97.06486	0.7
99.04413	0.6
101.02361	2.0
101.12424	0.3
105.06993	2.5
106.58517	0.4
107.04915	0.7
107.08577	1.9
109.02834	0.5
109.06496	0.9
109.10117	0.4
111.04417	0.4
111.08032	0.4
117.06996	0.6
119.08555	2.4
121.06464	0.5
121.10137	2.3
122.23443	0.3
123.08032	0.5
125.09710	0.4
127.03899	2.0
129.07022	0.8
131.08545	2.2
133.10107	0.7
135.07976	0.5
135.11679	1.6
137.09584	0.3
145.10146	0.7
147.11734	1.7
149.09605	1.9
157.10060	0.7
163.11081	2.5
165.12683	0.4
175.11174	0.7
185.04230	0.5
193.12234	2.1
197.15332	0.4
203.05356	0.6
209.11736	0.5
243.08339	2.8
249.10847	0.7
267.15881	0.8
283.15097	6.4
339.17667	0.6
447.27444	0.7
448.27710	0.5
467.18741	10.5
501.22836	11.1
505.29187	0.4
552.15918	0.4
565.29602	0.5
727.34863	100.0
728.34442	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
56.05013	0.4
57.03405	0.3
58.06584	0.3
60.08143	8.0
67.05470	2.1
69.07033	0.6
71.07347	3.8
79.05463	1.2
81.03387	0.4
81.07018	1.6
83.08579	0.5
86.09678	47.9
86.23932	0.3
87.74445	0.3
91.05448	0.6
92.08685	0.5
93.06998	1.5
95.08549	1.4
98.98429	3.8
104.10712	3.7
105.07007	0.4
107.08557	0.4
124.99963	33.2
132.45700	0.3
133.10109	0.4
134.39432	0.3
137.03929	0.3
143.01003	0.3
163.03754	0.3
163.11131	0.3
184.07280	100.0
185.07535	0.3
198.54430	0.3
226.48143	0.3
262.50317	0.3
269.17203	0.3
318.11368	0.3
352.88947	0.3
399.62048	0.3
435.93344	0.3
521.68158	0.3
529.38641	0.6
558.13007	0.3
603.26447	0.3
667.36121	0.6
707.77142	0.3
726.46686	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	726.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91795	1.1
53.00288	1.2
53.03930	3.3
54.81504	1.4
55.01857	2.0
55.05495	20.5
55.80063	1.1
57.03412	24.4
57.07043	8.7
57.58695	1.1
61.02902	6.7
65.03926	1.6
67.05480	93.8
67.46477	1.2
68.19638	1.3
69.03426	1.8
69.07037	32.3
71.04959	5.8
73.02879	5.5
74.27769	1.5
79.05460	67.1
81.03385	2.2
81.07022	100.0
83.04955	9.7
83.08578	15.3
85.02870	5.7
85.06493	5.8
86.09664	1.9
91.03904	2.4
91.05447	25.1
93.06999	85.4
95.04923	9.4
95.08571	45.7
97.02869	3.0
97.06490	10.6
97.10143	2.3
105.06999	21.7
107.08556	47.7
109.06474	2.3
109.10136	14.8
111.08046	7.6
117.06980	10.9
117.38152	1.3
119.08539	11.6
121.10090	32.3
123.11658	7.0
124.15467	1.5
131.08510	13.3
132.51563	1.5
133.10054	14.4
135.11650	14.6
138.31601	1.4
145.10104	3.0
147.11667	2.8
149.13213	26.0
159.11638	17.7
161.13196	3.0
163.14836	3.2
173.13258	2.5
177.12697	3.5
184.07275	7.8
195.13760	7.3
261.22009	9.1
269.17346	65.7
275.78568	1.4
335.25647	48.5
529.38672	84.0
725.43616	8.1
726.44598	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	726.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.0
54.81481	1.8
55.01852	3.0
55.05493	13.9
55.75512	1.2
57.03410	8.9
57.07042	2.9
59.04963	1.8
61.02900	1.8
65.03889	1.8
67.05482	22.2
68.05807	2.0
69.03389	8.6
69.07045	18.2
71.04958	2.4
73.02871	1.8
76.39470	1.5
79.05464	18.7
80.05816	1.5
81.03381	19.1
81.07017	33.0
82.03679	2.0
82.07339	1.4
83.04951	12.6
83.08601	13.4
85.02886	14.1
85.06523	3.3
91.05441	26.3
93.07006	38.3
95.04927	8.7
95.08566	40.4
97.02827	7.4
97.06482	9.1
97.10126	2.8
99.08057	26.9
105.06996	40.3
107.04924	5.9
107.08559	55.4
109.06469	6.2
109.10120	35.6
109.72659	1.4
111.04401	6.8
111.08048	9.7
113.05912	2.3
115.05406	1.5
117.06983	7.2
119.08535	78.8
121.06419	3.4
121.10094	60.7
123.04382	1.8
123.08009	6.8
123.11668	12.6
125.09554	2.6
127.03962	1.7
129.05449	2.0
129.06952	8.6
130.07787	1.9
131.08519	30.9
133.06444	2.7
133.10075	50.2
135.04410	1.6
135.07973	7.6
135.11642	26.4
137.09586	3.5
137.13258	2.0
141.81157	1.3
142.07736	2.6
143.08521	17.8
145.10069	76.7
147.08049	1.6
147.11641	39.5
149.09560	6.9
149.13202	15.5
151.11119	1.8
155.08524	1.8
156.09280	5.8
157.10065	41.2
158.10793	2.4
159.11632	52.3
161.09505	2.7
161.13184	23.1
163.03844	16.1
163.07475	2.3
163.11113	22.4
163.14743	14.5
165.12596	1.6
169.09978	2.3
170.10794	7.9
171.11597	23.3
172.12396	3.6
173.09604	1.8
173.11761	2.8
173.13156	32.7
175.11086	3.4
175.14758	25.4
177.12645	3.5
177.16328	23.2
183.11655	11.1
185.13188	24.1
187.14737	45.7
189.12660	5.3
189.16296	29.6
191.14191	2.4
191.17914	3.1
193.12132	2.5
197.13249	5.9
199.14755	54.8
201.16324	30.9
203.14203	2.8
203.17961	2.3
205.15813	87.2
207.17393	6.6
209.11583	1.8
209.13290	1.9
211.13013	1.9
211.14810	6.6
213.16249	8.0
215.14319	2.2
215.17834	2.2
217.15794	11.9
219.17357	5.6
223.16820	13.7
225.16519	1.7
227.17836	2.9
231.17227	1.9
243.17422	2.4
245.15204	10.8
245.18948	2.0
263.16345	6.0
267.15756	6.5
283.14929	2.5
296.06204	1.9
297.06839	1.8
313.06885	1.6
325.06079	2.2
353.24457	3.5
387.30432	2.8
405.31335	18.0
407.33154	2.8
423.32489	29.2
425.33899	6.4
433.30688	7.1
441.33478	20.7
447.10925	1.8
451.31964	33.0
460.27417	2.7
465.28250	1.9
469.32938	100.0
476.89661	1.7
478.28439	2.4
487.34003	33.9
493.27170	1.9
511.34229	12.8
529.35065	3.5
547.36041	3.2
727.30792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78836	0.1
52.10328	0.1
55.05497	0.3
56.05015	0.4
58.06569	0.2
60.08145	8.4
64.60733	0.1
67.05484	0.3
69.07042	0.3
69.75053	0.1
71.07349	5.0
79.05473	0.2
81.07016	0.2
83.08585	0.3
86.09676	45.5
91.05452	0.2
93.07017	0.3
98.98425	4.3
104.10706	2.8
109.99709	0.2
112.84496	0.2
124.99960	33.0
128.33211	0.2
143.01033	0.4
166.02704	0.2
184.07283	100.0
185.07582	0.3
243.99971	0.2
348.21533	0.2
726.31403	0.3
726.43280	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	726.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.4
55.05495	5.0
57.03408	0.5
57.07045	0.7
57.30405	0.3
60.07879	0.6
60.08145	9.8
62.36792	0.3
64.32588	0.5
67.05479	4.0
67.41531	0.3
69.07049	3.7
71.07344	4.4
74.36577	0.3
79.05458	3.2
81.03357	0.6
81.07016	3.4
83.04952	0.5
83.08589	2.3
85.10143	0.5
86.09677	49.8
91.05432	2.8
92.09422	0.8
93.07001	2.8
95.04905	0.8
95.08533	0.7
97.02838	0.4
97.10118	1.8
98.98427	4.8
104.10695	3.9
105.06954	1.6
107.04919	0.6
107.08544	0.8
109.10115	0.7
111.04401	2.1
117.06926	0.5
117.21522	0.5
119.08580	0.7
121.10075	0.6
124.99957	40.7
131.08511	0.8
132.53499	0.4
133.10129	0.5
135.11649	0.5
145.10072	0.8
163.03899	0.5
163.11128	0.7
177.83801	0.4
184.07278	100.0
205.64812	0.4
209.11644	2.8
283.15381	0.5
447.11478	0.6
519.29736	0.5
519.36603	4.5
529.35150	0.9
537.37787	5.2
557.38098	0.5
564.05621	0.5
726.43195	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	726.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92113	0.2
55.05492	1.1
60.24409	0.2
65.03921	1.6
67.05479	3.0
67.37232	0.3
69.03420	1.8
79.05455	0.6
83.04952	9.6
85.02872	3.1
89.03885	4.4
93.03370	5.6
95.04913	1.2
96.64967	0.2
99.00787	0.5
105.97445	0.2
107.04912	2.6
109.02856	0.3
111.04403	15.4
115.03921	0.2
117.03339	8.5
121.02825	2.5
123.04401	1.6
129.05438	5.2
135.04372	22.1
137.02240	0.3
139.03859	7.4
145.02802	16.3
148.09740	0.2
157.04881	4.9
159.04211	0.3
160.05133	0.2
161.49033	0.3
163.03842	100.0
164.04143	0.5
175.05960	3.9
181.06450	1.2
188.00902	0.3
199.07420	0.3
205.06381	2.6
209.05957	0.3
221.05942	2.8
222.06215	2.0
223.07513	2.4
224.07864	0.4
233.05945	1.7
233.14482	0.3
234.06345	0.3
249.05391	2.6
250.05794	2.1
251.06934	6.1
252.07216	0.9
261.05423	1.2
268.06659	0.3
269.08011	4.6
273.05963	3.1
277.04947	0.3
279.06406	8.2
283.05789	0.8
285.07498	0.3
295.05896	8.4
296.06244	6.9
297.07172	6.1
307.05920	2.7
313.06955	1.0
325.06931	3.8
337.08972	1.1
343.07889	1.2
355.10068	3.0
447.11127	2.3
499.12128	7.9
517.13141	1.6
541.11169	0.2
743.37115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.1
55.05484	0.2
56.05011	0.8
58.06565	0.4
60.08144	8.5
64.01215	0.1
67.05498	0.4
69.07048	0.2
70.06539	0.2
71.07345	4.7
74.23563	0.1
79.05450	0.5
81.07021	0.5
83.08575	0.2
86.09676	45.0
87.10001	0.3
89.52237	0.1
91.05440	0.1
93.07018	0.5
95.08562	0.1
98.98432	4.6
104.10703	2.6
107.08564	0.2
107.79914	0.1
114.33174	0.1
119.08590	0.1
121.10144	0.1
124.99958	33.2
129.42532	0.1
133.10065	0.1
135.85722	0.1
136.46655	0.1
143.01028	0.5
145.10100	0.2
163.11177	0.2
184.07278	100.0
185.07593	0.7
209.11678	0.2
283.15225	0.2
307.22510	0.1
336.41064	0.1
519.36890	0.4
537.37250	0.4
726.43140	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	726.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.1
55.05487	1.4
56.96535	0.3
57.03376	0.2
65.03911	2.9
67.05479	5.0
68.99760	0.3
69.03399	3.2
72.95586	0.3
79.05441	0.4
83.04947	18.4
85.02875	6.0
89.03879	4.2
93.03368	12.2
95.04918	2.3
99.00771	1.6
100.19456	0.2
107.04919	3.2
109.66319	0.3
111.04403	31.1
115.03905	0.3
117.01837	0.5
117.03338	7.6
118.07088	0.3
121.02812	5.5
123.04396	2.9
129.05432	12.9
135.04367	20.4
136.05170	0.3
137.02284	1.1
139.03854	12.8
145.02803	15.1
145.03954	0.6
151.97502	0.2
153.06865	0.3
157.04910	9.5
160.05148	0.3
161.01202	0.3
163.03839	100.0
164.04192	0.9
175.05948	8.4
177.06926	0.5
181.04942	0.4
181.06436	1.6
199.07471	0.9
203.03329	1.2
205.06413	4.7
209.05887	0.4
221.05888	3.3
222.06384	1.7
223.07491	5.1
224.07823	0.5
227.07033	0.4
233.05870	5.0
235.07280	0.3
239.06660	0.3
243.35860	0.3
244.07257	0.3
245.08047	1.1
249.05449	2.9
250.05702	2.3
251.06961	11.1
252.07182	0.4
261.05313	1.6
268.06854	0.4
269.07990	8.8
270.08441	0.4
273.05917	6.5
279.03372	0.6
279.06436	17.3
283.05865	1.1
289.04898	0.5
295.05884	10.7
296.06232	6.5
297.07443	11.3
307.05884	4.7
313.06793	0.3
314.07330	0.4
325.06964	7.8
337.09070	1.3
343.08020	2.3
355.10068	4.3
447.11249	3.2
499.12201	13.3
517.13446	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	725.445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38670	1.2
51.71170	1.1
53.00296	1.4
53.03941	2.1
55.05499	21.3
57.03423	14.3
57.07056	2.9
64.32622	1.3
67.05482	64.3
69.07040	23.8
71.04977	2.7
79.05462	40.0
81.03371	2.0
81.07027	100.0
83.04956	6.2
83.08590	11.5
85.06505	6.4
86.09681	9.2
91.05448	28.2
93.07011	37.5
95.04920	5.5
95.08574	45.0
97.06503	5.8
99.08061	1.8
105.06993	34.1
106.64649	1.7
107.08556	22.0
109.06504	3.0
109.10120	14.5
117.06998	3.6
119.08549	23.6
121.10127	23.4
123.08066	1.9
123.11671	18.2
124.99957	2.2
131.08534	7.9
133.10109	8.8
135.11623	6.3
145.10133	2.6
147.11652	37.6
149.13245	3.2
157.10121	2.2
159.11664	2.1
160.44191	1.6
165.12695	9.7
173.13229	2.0
180.00229	1.6
184.07338	8.2
229.14459	2.1
243.20998	2.0
261.22040	8.9
267.15778	22.3
285.16846	24.0
335.25656	62.7
396.27246	1.5
398.64713	1.4
545.38037	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	725.4459
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.03928	2.6
55.01847	2.3
55.05501	21.1
57.03419	14.5
57.07077	1.7
61.10252	1.3
67.05483	60.2
69.07043	20.1
71.04977	2.8
79.05460	35.4
81.03391	2.9
81.07028	100.0
83.04943	7.7
83.08581	11.7
85.06518	3.3
86.09695	1.5
91.05450	32.1
92.08681	5.1
93.07011	42.1
95.04933	6.1
95.08578	37.1
96.92957	1.7
97.06482	7.8
97.10137	2.0
99.08050	3.3
105.06993	36.9
105.21170	1.5
107.08564	21.5
109.06474	6.8
109.10122	12.3
111.08068	1.7
117.06941	1.9
119.08548	33.6
121.10104	29.5
123.11660	23.5
124.99931	3.6
131.08482	7.3
133.10072	7.1
135.11615	7.8
145.10088	3.0
147.11650	48.5
157.10124	2.0
159.11705	3.2
161.13147	2.1
162.22411	1.5
164.46753	1.5
165.12721	14.3
184.07281	8.1
229.14296	2.4
261.22018	9.7
262.08438	1.5
267.15839	27.7
285.16843	32.3
335.25653	34.8
527.37054	2.7
545.38293	31.0
597.29254	2.0
719.83685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29997	1.7
53.03939	3.6
54.81174	1.9
55.01858	9.2
55.05500	47.7
57.03423	32.8
57.07063	2.0
60.08142	8.9
63.61348	1.8
65.03923	2.7
67.05484	85.2
69.03418	5.5
69.07051	29.2
71.04959	3.6
71.07323	2.3
71.48273	1.8
76.55490	2.5
79.05466	71.2
80.05180	2.1
80.08031	2.2
81.03391	94.6
81.07031	88.0
83.04957	26.5
83.08598	37.6
85.02876	37.9
86.09676	35.9
91.05447	66.8
92.08720	4.8
93.07011	71.7
95.04933	40.7
95.08580	53.4
97.02837	2.4
97.06489	9.1
97.10153	12.9
99.08026	2.6
100.25835	2.0
102.57396	2.1
105.07005	47.6
107.04937	11.0
107.08574	33.6
109.06496	9.2
109.10094	16.9
111.08082	4.7
112.94714	2.0
113.05974	3.6
114.35950	2.8
117.07017	5.6
119.08539	36.6
121.10107	29.3
123.08044	3.2
123.11665	4.5
124.99973	26.7
126.00362	2.2
129.07001	19.0
131.08493	24.9
133.10104	15.8
135.11679	11.9
145.10126	9.6
147.08018	3.3
147.11659	24.1
149.09543	3.7
149.13199	4.3
157.10158	17.5
159.11760	3.1
161.13217	3.9
163.14767	2.3
165.12802	2.1
173.13141	3.0
175.11137	14.5
184.07291	100.0
185.07675	11.0
193.12186	36.5
211.13214	52.3
211.15057	2.6
245.18993	2.3
261.22089	12.0
267.15927	14.6
285.16846	49.6
296.05930	2.4
335.25760	56.2
429.21033	2.9
527.37195	10.8
536.36981	3.2
545.38196	91.3
546.38452	3.8
593.04114	2.5
675.44037	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	725.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	3.1
53.03923	6.3
55.01855	4.3
55.05497	36.4
57.03429	28.3
59.75458	3.0
60.12539	2.7
62.79465	2.6
67.05478	99.2
69.03387	3.9
69.07043	30.7
69.07355	3.3
71.04937	6.6
75.09989	3.1
79.05457	79.0
81.03384	66.1
81.07027	92.3
83.04939	22.5
83.08594	30.4
85.02857	33.9
86.09661	19.3
91.05439	65.5
92.08688	3.5
92.51238	3.0
93.07007	82.9
95.04944	33.1
95.08569	57.9
97.02883	5.1
97.06477	4.0
97.10109	4.8
104.12123	3.0
105.06996	42.4
107.04951	6.4
107.08564	41.4
109.06498	5.6
109.10108	21.6
110.97160	3.9
111.08053	3.9
117.06971	7.0
119.08553	38.3
121.10098	24.5
124.99987	12.1
129.06914	15.3
131.08521	20.4
133.10066	18.6
135.11641	6.8
142.07648	4.2
145.10054	13.1
147.11630	16.2
157.10030	14.8
159.11516	3.8
165.12788	4.3
169.72980	3.3
173.13174	4.7
175.11200	3.7
184.07272	33.9
185.07634	3.9
193.12163	27.1
211.13228	44.4
233.34488	3.5
261.21808	5.4
267.15723	12.9
285.16791	37.0
286.58322	3.2
298.10532	3.6
335.25717	66.4
336.25589	3.6
448.34662	3.6
474.14041	3.4
527.36981	13.1
537.37469	4.8
545.30328	5.8
545.38062	100.0
546.38257	16.8
623.50464	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	724.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94483	0.1
51.68054	0.1
55.01859	0.1
55.05487	0.3
56.05018	0.7
57.03420	0.2
57.07048	0.2
57.63124	0.1
58.06583	0.2
60.08142	7.5
67.05494	0.8
69.07040	0.3
69.09607	0.1
71.07343	3.8
79.05463	0.5
79.09781	0.1
81.03407	0.4
81.07028	0.8
83.08627	0.2
84.06079	0.1
86.09675	40.8
87.09997	0.2
91.05444	0.6
93.06994	0.5
95.08584	0.6
98.98431	3.2
104.10699	2.8
105.06994	0.2
107.08567	0.2
109.10168	0.1
113.64130	0.1
117.06983	0.1
119.08549	0.5
121.10082	0.5
124.99957	29.2
125.09521	0.1
127.99940	0.1
133.10074	0.1
143.01030	0.8
157.37234	0.1
163.03815	0.2
168.28354	0.1
184.07280	100.0
185.07623	0.9
186.07666	0.1
209.54210	0.1
221.05925	0.3
238.03511	0.1
243.27859	0.1
249.05338	0.6
277.04706	0.2
295.05838	1.1
323.05283	1.2
535.36328	0.2
688.45215	11.7
689.45508	0.2
724.37646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	4.1
57.07053	1.9
61.02907	4.1
67.05479	4.3
69.03413	1.8
69.07050	1.0
71.04955	0.9
71.08605	1.7
73.02886	4.4
79.05480	1.2
81.03371	1.0
81.07024	7.3
83.08587	1.5
85.02886	4.3
91.03941	2.0
91.05455	1.2
92.09290	1.6
93.07030	1.8
95.08577	1.9
95.36214	0.8
97.02865	5.7
101.02361	1.2
105.07017	1.8
107.08517	0.9
109.10087	1.3
115.96175	1.0
119.08607	0.8
121.10117	1.3
123.11715	1.4
127.03864	1.1
140.88884	0.9
147.11700	3.8
150.75276	0.7
185.04120	1.0
207.01740	0.9
243.08330	1.2
251.12607	1.1
286.27441	0.8
339.63776	0.8
469.20486	10.3
497.30853	4.4
529.43939	0.9
682.31940	0.9
725.44238	100.0
726.44196	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	724.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76652	1.6
53.00302	2.8
53.03934	1.9
54.80548	1.9
55.01860	2.6
55.05279	1.9
55.05500	32.2
57.03420	22.5
65.03916	1.8
67.05483	73.5
69.03386	2.7
69.07046	25.0
71.04970	4.6
79.05465	74.9
81.03393	16.7
81.07026	82.7
83.04952	24.1
83.08583	13.4
85.02915	2.8
85.06524	2.9
86.09673	2.3
91.05444	87.3
93.07005	64.3
95.04937	17.8
95.08571	46.2
95.10016	1.8
97.02890	2.1
97.06490	2.0
97.10124	3.1
99.08043	2.2
105.07000	51.1
107.04935	21.7
107.08556	25.0
109.06482	4.4
109.10118	14.9
117.06978	10.2
119.08556	35.6
121.10106	21.3
123.11671	3.0
127.69309	2.0
129.06963	17.3
131.08514	23.3
133.10088	37.6
135.11626	11.5
142.07733	2.5
145.10097	9.6
147.08064	2.8
147.11621	21.5
149.13200	3.8
150.21013	1.9
157.10103	14.8
159.11653	2.5
161.13258	2.0
173.13213	3.2
175.11079	7.4
179.04289	1.9
193.12167	8.1
221.05914	3.1
243.20953	2.3
261.22003	4.5
267.15836	57.6
295.05911	10.9
300.19421	1.8
313.27567	2.6
323.05371	3.8
335.25754	38.7
438.35980	2.0
527.37109	100.0
534.37292	1.9
545.37994	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.4
53.03916	5.2
55.01852	4.0
55.05241	1.0
55.05496	23.5
57.03152	1.3
57.03417	26.7
57.07047	3.8
59.70500	0.7
61.02905	7.1
61.82275	0.7
65.03905	3.5
67.05483	74.3
69.03388	4.0
69.07039	16.3
71.04945	3.9
73.02876	1.2
79.05462	63.0
81.03387	100.0
81.07027	75.0
83.04962	6.9
83.08585	21.5
85.02880	6.0
85.06490	1.3
91.03910	1.7
91.05445	44.6
93.07008	53.2
95.04935	34.5
95.08572	51.4
97.02847	5.6
97.06490	5.6
97.10123	6.9
99.08078	1.3
105.06998	31.2
107.04920	9.9
107.08561	33.2
109.06480	7.1
109.10120	19.2
111.04386	0.9
111.08023	7.1
115.05444	1.1
116.06212	0.8
117.06997	10.4
119.04897	0.9
119.08537	26.6
121.06480	7.1
121.09264	1.4
121.10103	25.9
123.04353	3.2
123.08029	3.2
123.11642	6.4
125.09584	4.8
127.03864	0.9
129.06973	12.7
131.08517	20.5
133.06419	3.7
133.10080	15.1
135.08081	2.5
135.11639	12.5
137.09555	3.2
137.13280	1.6
142.07642	2.6
143.08534	3.0
145.10104	10.1
147.04379	1.3
147.07959	3.2
147.11644	14.2
149.09532	5.5
149.13246	8.5
157.10081	11.4
159.11635	6.4
161.13182	3.9
163.11096	3.3
163.14743	3.4
165.12646	1.7
169.10118	1.0
171.11626	0.8
173.13210	5.0
175.11122	8.1
175.14809	1.3
176.56674	0.7
177.12833	0.9
183.11694	0.9
187.14758	3.8
189.11183	1.0
193.12177	20.7
211.13228	1.3
227.12656	1.7
235.13313	1.0
243.20901	3.7
249.14757	1.0
261.22046	14.3
267.15817	73.6
295.05893	3.2
301.14301	1.4
301.25140	4.0
309.16660	3.1
317.24615	1.2
335.25674	75.6
375.18127	0.9
435.32513	1.6
453.33469	6.8
471.34286	1.3
527.37152	43.0
528.37646	1.1
535.39624	1.1
545.38159	27.0
569.37616	3.2
671.39960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.5
55.05289	0.4
55.05497	9.3
57.03415	11.2
61.02901	0.9
65.03883	0.6
67.05480	19.0
69.03396	1.2
69.07040	8.8
69.81334	0.5
70.82842	0.4
71.04950	2.4
79.05455	14.3
81.03385	53.8
81.07021	41.5
83.04942	6.1
83.08125	0.8
83.08586	14.5
85.02876	0.9
85.06516	2.9
87.04415	0.5
91.05440	19.6
93.07011	11.7
95.04935	15.8
95.08566	10.9
97.02846	1.1
97.06488	4.5
97.10117	2.0
99.08045	2.8
105.06992	25.3
107.04918	2.6
107.08560	8.7
109.06477	3.8
109.10095	0.6
111.04405	2.0
111.08057	6.1
119.08538	21.3
121.06409	1.2
121.10092	13.6
123.04413	0.6
123.08056	3.6
123.11649	16.0
127.07468	1.0
129.05400	0.7
129.06949	5.8
131.08531	5.7
133.06409	3.0
133.10081	4.6
137.09554	2.1
137.13193	0.8
142.07738	2.0
143.08545	0.5
145.10075	1.9
146.48074	0.5
147.08011	2.6
147.11642	38.7
149.09547	3.5
157.10077	8.2
163.03802	1.1
163.11101	1.9
165.12679	13.7
175.11092	7.6
183.13716	0.6
193.12173	18.6
205.06474	0.6
211.13258	3.1
221.05894	6.1
229.14252	1.0
249.05383	5.8
249.14610	0.6
251.06784	0.8
267.06372	2.3
267.15802	100.0
268.16031	0.7
277.04837	3.3
279.06403	0.7
285.16855	32.5
295.05902	17.0
296.06375	0.5
305.04193	0.6
323.05365	16.6
341.06396	0.7
420.24966	0.7
459.27258	6.0
476.49118	0.6
477.28326	48.1
478.28702	0.9
495.29544	0.9
519.29913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71419	1.4
55.01861	2.6
55.05486	11.1
57.03421	1.6
57.07062	1.6
59.04956	2.1
59.65273	1.5
67.05478	17.6
69.03418	2.8
69.07031	11.8
71.04961	2.7
79.05448	10.7
81.03374	3.6
81.07025	26.5
83.04946	4.3
83.08578	3.6
85.02862	11.7
91.05427	11.9
93.06997	21.2
95.04903	4.0
95.08564	25.4
97.06472	3.0
99.08016	15.1
105.06995	27.5
106.32411	1.8
107.08558	40.7
109.06476	2.8
109.10120	15.8
111.04381	2.5
111.08057	1.9
113.05977	2.9
117.06953	4.4
117.65811	1.8
119.08530	51.4
119.90347	2.2
121.10085	29.3
123.07986	4.4
123.11656	4.4
131.08502	27.8
133.10094	35.2
134.21553	1.8
135.08003	20.3
135.11618	19.6
137.09567	4.1
137.13176	2.7
139.03816	3.1
142.07764	2.9
143.08472	12.8
145.10077	36.9
147.11635	12.0
149.09535	3.8
149.13237	8.1
155.49741	2.3
156.09276	4.6
157.10045	23.7
159.11617	29.9
161.09537	3.8
161.13193	12.9
163.03828	9.9
163.11139	11.8
163.14772	9.1
165.06892	2.1
169.10056	4.1
170.10812	3.3
171.11653	20.4
173.02296	1.9
173.13184	24.2
175.11115	10.7
175.14723	14.3
177.12714	3.4
177.16380	3.4
183.11671	11.4
184.07144	2.4
185.13161	26.9
187.11031	2.0
187.14700	19.2
189.12691	3.6
189.16310	10.7
191.14241	9.8
191.46567	2.0
193.06329	2.5
197.05891	2.7
197.13231	2.8
199.14726	29.6
201.12570	2.5
201.16298	11.8
203.03328	3.4
203.14259	12.4
205.06303	2.3
205.15800	10.5
209.13208	2.7
211.14705	4.2
213.16313	4.0
217.15787	13.9
221.05898	29.2
221.15247	16.0
223.07559	3.2
225.16289	1.9
231.17369	3.4
233.15306	1.9
237.16093	2.0
239.06883	8.0
245.15306	3.5
249.05351	43.9
250.05835	3.3
251.06909	4.5
267.06427	8.4
277.04782	20.5
279.06320	2.5
285.07449	2.9
295.05881	98.9
296.06238	7.7
297.07596	1.9
305.04367	2.9
323.05374	100.0
324.05753	7.4
341.06430	7.4
403.29727	7.2
404.31805	2.2
405.31497	2.3
421.30838	30.2
423.32520	13.0
439.31833	37.2
447.03760	2.1
449.30206	10.7
467.31656	38.6
485.32425	79.8
497.09937	3.5
499.30280	9.3
515.11328	3.1
545.34058	5.6
552.35480	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	724.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.9
53.66525	0.5
55.01849	4.0
55.05240	0.7
55.05493	16.1
57.03152	0.7
57.03417	19.7
57.14156	0.5
61.02898	0.8
62.27688	0.5
67.05479	21.2
69.03392	3.8
69.07038	6.1
71.04947	2.8
73.02872	0.6
73.84830	0.6
76.47309	0.7
76.57411	0.5
79.05005	0.9
79.05457	24.4
81.03384	100.0
81.06544	0.9
81.07020	22.5
83.04948	13.4
83.08134	1.1
83.08594	24.1
85.02870	14.2
85.06501	2.4
87.23995	0.5
91.05444	29.2
92.59142	0.6
93.07009	17.3
95.04933	34.9
95.08566	9.1
97.02866	4.3
97.06477	3.8
97.10142	7.4
105.06995	25.7
107.04912	9.6
107.08559	9.1
109.06470	5.8
109.10123	4.1
111.04396	2.8
111.08044	10.4
113.05944	1.0
115.05444	1.1
117.06969	2.8
119.04839	0.9
119.08533	21.7
121.06450	5.0
121.10109	7.7
123.04372	1.2
123.07993	2.7
123.11667	1.0
125.09570	3.5
128.06273	0.8
129.06953	15.3
131.04871	0.9
131.08525	13.1
133.06438	3.7
133.10086	10.6
135.08022	1.2
135.11597	0.9
137.09534	2.9
142.07715	2.8
143.08487	1.4
145.06441	5.4
145.10088	3.7
147.07976	4.4
147.11642	11.7
149.09573	7.3
153.08987	0.6
155.08511	0.6
157.06407	0.8
157.10077	13.7
163.11108	1.4
165.12720	1.2
169.10143	0.7
171.08034	2.4
171.11607	0.8
175.11121	12.1
183.11761	0.7
189.11075	0.9
193.12164	36.2
195.02919	0.7
195.11606	0.8
211.11333	1.1
211.13205	12.5
229.14328	0.7
249.14919	0.7
255.13719	1.2
267.15805	73.1
268.16122	0.9
273.14664	5.4
285.16830	9.3
295.05875	3.0
315.22794	0.7
323.05322	1.4
341.20892	1.2
349.21414	3.2
367.22467	5.0
385.23575	7.1
403.24658	2.6
405.23526	0.7
433.25653	10.6
441.26147	5.4
459.27231	56.6
460.27191	1.0
477.28339	31.5
519.29297	1.1
539.95361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.4
65.65941	0.5
65.93209	0.4
69.03400	0.6
75.32426	0.4
83.04947	2.5
85.02858	1.0
90.42585	0.4
93.03365	0.5
111.04403	2.8
119.69252	0.5
129.05473	0.6
137.02310	1.8
139.03847	2.1
147.04384	2.0
159.04362	0.7
160.05153	1.6
163.03854	2.3
165.06920	2.0
175.05978	0.5
177.05493	0.5
177.06914	0.7
181.06393	0.9
187.03845	1.9
193.06398	3.7
195.08083	0.5
197.05876	0.7
203.03259	3.9
205.06418	4.5
211.07469	2.2
221.05899	31.3
222.06302	0.6
223.07483	6.6
225.05435	1.0
231.02774	0.6
233.05896	2.5
239.06946	6.5
249.05367	42.0
250.05905	2.1
251.06918	8.4
253.04700	0.6
267.03842	0.7
267.06461	9.4
269.07919	4.0
277.04871	19.4
277.07904	0.6
279.06403	5.0
281.04440	1.7
285.07492	3.7
293.04285	0.7
294.04898	0.6
295.05908	100.0
296.06229	2.2
297.07300	0.9
305.04315	4.3
313.06818	4.3
313.44662	0.5
322.04001	0.6
323.05392	80.6
324.05673	1.0
339.04852	0.6
341.06418	4.9
377.08365	0.4
487.12427	0.7
497.10501	2.5
515.11542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01849	1.8
55.05487	3.7
57.03423	6.0
60.02095	0.8
65.03916	0.9
67.05488	6.5
69.03397	13.1
71.04948	1.2
75.04436	5.6
79.05004	1.3
79.05457	24.5
79.11401	0.8
81.03375	8.0
81.07029	10.1
83.04930	1.2
85.02869	10.0
87.04398	0.9
91.05445	27.0
92.62761	1.0
93.07004	100.0
95.04922	10.6
95.08589	6.2
97.02855	7.7
97.06517	3.0
99.04385	1.5
103.05437	14.0
105.06988	17.9
106.04127	1.0
107.04212	1.2
107.04913	22.0
107.08557	12.5
109.02827	5.8
109.06483	3.6
109.10085	6.0
111.04417	3.6
111.08044	5.6
113.51376	0.8
115.05389	3.9
117.06964	3.8
119.04894	10.2
119.08549	15.2
121.06480	7.0
121.10098	77.6
122.03609	3.5
123.04379	1.3
123.08022	4.7
123.11600	1.5
125.05946	1.0
127.03844	4.2
128.06142	1.0
129.06970	6.3
130.04114	0.8
131.04877	27.0
131.08510	6.0
133.02814	1.1
133.06438	7.2
133.07436	1.3
133.10068	1.6
135.04340	1.8
135.07988	6.8
137.05931	74.6
137.09531	1.7
139.11040	1.9
141.06955	0.9
143.04889	1.6
143.08501	1.1
145.04935	0.9
145.06425	3.7
145.10117	0.9
146.07207	1.2
147.04366	6.6
147.08006	4.2
148.05135	1.1
149.05962	6.6
149.09570	18.5
150.17033	0.8
151.03818	3.4
151.07495	25.8
155.08443	1.0
157.06369	4.3
157.10101	1.0
158.07272	0.9
159.04388	1.0
159.07970	1.3
160.05130	1.7
161.02301	1.1
161.05916	46.0
161.09535	16.1
162.06688	3.3
163.03813	6.0
163.06091	1.1
163.07469	29.3
165.06946	1.3
165.09023	5.0
167.06984	5.3
167.08496	3.0
167.10590	12.0
169.06306	1.2
173.02274	1.4
174.06703	4.8
175.07477	17.4
177.05414	1.4
177.09021	6.4
179.06993	3.2
181.06567	1.0
181.08490	2.0
183.08000	1.8
187.07507	3.5
189.05362	1.1
189.09030	31.0
191.06908	1.4
191.08504	1.0
193.06398	1.5
195.07999	6.3
195.10054	1.4
197.09541	1.0
200.08318	0.9
201.09055	7.1
203.03394	1.7
203.06914	3.2
203.10605	3.2
207.10094	16.9
209.09518	3.2
210.06796	1.2
211.07483	3.8
215.06906	1.2
215.10582	1.9
217.08585	1.1
219.10040	5.9
221.05911	12.7
221.09535	3.2
223.07484	4.3
225.09126	2.5
225.11078	1.4
227.10599	8.0
233.05846	1.1
237.08997	1.3
239.06967	2.9
239.10599	3.3
241.12144	1.9
249.05360	13.4
249.08932	1.5
250.05937	1.2
251.06877	3.1
251.10599	1.0
252.07602	1.0
253.08365	3.2
253.12068	3.1
255.10005	4.2
257.08038	1.4
265.08374	1.7
267.06293	3.0
267.09937	1.4
267.13525	0.9
269.07874	2.0
269.15308	1.9
273.14853	1.1
277.04807	5.6
279.06384	1.2
279.09943	1.0
279.13501	1.0
281.11523	1.1
281.14890	1.1
283.13232	1.2
285.07626	1.5
285.11066	4.4
287.12708	4.7
293.13852	1.6
295.05902	36.5
295.09290	1.6
296.06265	1.8
297.11136	3.3
297.14670	5.1
299.12610	1.4
303.15869	3.4
305.04523	1.0
309.14935	1.4
311.12527	6.1
311.15137	3.9
313.14142	4.6
315.15939	1.0
323.05399	28.3
325.14297	1.0
327.15823	1.1
331.15308	14.2
331.19037	1.5
341.06268	3.0
343.15265	4.0
348.04758	0.9
355.15152	1.7
423.21863	1.0
441.18948	3.7
459.19794	4.3
461.00363	0.9
479.23837	1.7
491.24237	1.1
587.26807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20642	0.1
55.01819	0.2
67.05476	0.1
83.04935	0.7
88.67368	0.1
93.03349	0.1
109.02827	0.2
111.04399	1.2
122.12420	0.1
129.05399	0.2
131.04892	0.2
135.04362	0.2
137.02246	0.2
139.03835	0.2
159.04381	0.2
160.05107	2.4
161.05913	0.3
163.03912	1.7
165.06934	0.2
167.08524	0.1
176.06093	0.1
177.06871	0.3
179.03371	1.0
181.06381	2.1
187.03816	1.5
193.06419	0.7
195.08000	1.0
197.05896	0.3
199.07547	0.2
203.03339	0.2
205.06406	3.7
211.07428	0.6
221.05894	27.8
222.06346	0.3
223.07448	9.2
231.02740	1.0
233.05899	2.8
234.06673	0.3
237.05367	0.1
239.06885	1.1
249.05371	26.8
250.06000	1.0
251.06941	11.4
252.07307	0.2
253.04785	0.7
263.58081	0.1
266.05716	0.3
267.06430	4.7
269.07974	7.1
271.05911	0.6
277.04846	3.2
278.23541	0.1
281.04266	0.7
285.07449	6.4
295.05899	100.0
296.06229	1.6
297.07233	0.2
299.05478	0.2
313.06931	8.6
323.05359	1.9
341.06409	3.9
359.07574	0.6
469.10883	1.2
487.12198	0.7
515.11932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.4
55.05465	0.2
65.03896	0.4
67.05447	0.2
69.03384	0.4
71.86517	0.2
76.86477	0.2
83.04938	1.8
85.02847	0.4
89.03880	0.2
93.03336	1.0
111.04388	2.9
121.02821	0.7
123.04416	0.6
129.05417	0.9
131.04843	0.3
133.02821	0.7
137.02251	0.8
139.03880	1.3
147.04340	0.2
157.04872	0.4
161.02289	0.4
163.03816	1.2
165.06927	3.0
169.06386	0.3
177.05406	0.3
177.06934	1.1
181.06445	0.3
183.08075	0.3
187.03798	1.4
189.01846	0.2
193.06433	3.5
195.07983	0.4
197.05870	1.0
205.06393	1.7
211.07471	2.6
221.05887	17.2
222.06293	0.3
223.07460	1.1
225.05453	1.3
231.02740	1.2
233.05933	1.2
235.07310	0.2
238.06134	0.2
239.06934	6.4
249.05354	31.7
250.05968	0.9
251.06927	1.8
253.04958	0.8
259.03799	1.2
261.05377	0.4
266.05795	0.4
267.06396	6.6
267.09177	0.4
277.04831	18.9
278.05438	1.3
279.06381	5.7
294.04816	0.3
295.05890	44.0
296.06235	1.1
297.07486	1.1
305.04330	4.8
323.05368	100.0
324.05652	2.1
341.06412	1.7
486.73212	0.2
497.10419	2.0
515.11951	0.8
656.43927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
57.03371	0.3
61.36151	0.3
65.03905	1.4
67.05488	2.2
69.03400	2.4
82.52368	0.3
83.04946	8.7
85.02872	2.3
87.00792	0.3
89.03875	0.5
92.17730	0.3
93.03369	4.7
93.41592	0.3
95.04919	1.7
99.00770	6.6
107.04916	0.3
109.02814	0.3
111.04404	13.5
117.01798	2.1
117.03320	0.6
121.02805	2.6
123.04381	1.6
127.03879	0.4
129.05440	5.1
133.02797	0.6
135.04355	1.9
137.02299	11.1
139.02846	0.3
139.03864	6.5
139.25073	0.3
140.11157	0.3
141.06947	0.3
145.02789	0.7
147.04382	4.0
147.06371	0.4
148.64775	0.3
151.03799	0.6
157.02803	0.4
157.04898	4.2
159.04407	0.6
160.05115	1.6
161.02345	0.3
163.03836	6.8
165.06921	2.2
175.03827	2.4
175.05978	1.9
177.05417	0.5
177.06934	1.3
179.03320	8.0
181.04915	0.6
181.06450	1.6
185.02260	0.5
187.03877	2.5
193.04916	0.4
193.06432	2.5
195.08009	0.4
197.05954	1.3
201.17993	0.3
203.03308	9.7
205.06419	6.3
207.04425	0.4
211.07578	1.8
213.01729	1.9
221.05899	32.2
222.06462	0.6
223.07475	9.4
225.05408	1.7
231.02785	15.5
233.05879	3.9
234.06456	0.4
239.06931	4.9
243.06381	0.5
249.05367	42.0
250.06036	1.9
251.06947	11.0
253.04871	1.5
255.06459	0.6
266.05420	0.6
267.06403	9.7
269.08011	4.7
271.06055	0.5
273.06015	2.5
277.04834	17.7
278.05585	1.7
279.06406	4.8
281.04272	2.4
285.07471	4.0
291.07013	1.3
294.05005	1.2
295.05899	100.0
296.06277	1.6
297.07376	2.5
299.05426	2.5
305.04218	3.6
307.05826	0.3
311.05505	0.4
313.06888	5.1
323.05377	49.2
324.05695	0.4
341.06424	26.5
377.08401	0.5
388.65659	0.3
447.11142	2.0
465.12006	0.3
469.11258	0.6
487.11942	2.0
497.10382	1.5
515.11707	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	722.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.3
57.03424	11.8
57.07060	37.7
57.40948	2.1
57.76344	2.8
59.04948	2.4
60.55571	2.3
61.02898	2.7
62.74224	2.5
67.05480	88.8
69.07037	16.6
71.04967	26.4
71.08610	27.8
79.05461	10.0
81.07027	35.7
83.08596	15.0
85.02898	3.5
85.10155	18.4
86.09688	18.7
91.05428	12.6
93.06978	20.2
95.08561	30.4
97.10136	3.3
107.08521	3.6
109.10114	86.2
119.08539	10.8
121.06451	3.1
124.99972	4.2
135.11688	12.6
137.09589	14.4
137.13190	2.8
140.94249	2.7
155.78967	3.2
173.11710	6.2
184.07230	33.9
239.43501	2.7
255.15953	3.1
287.18463	19.5
313.27289	13.8
360.72702	2.9
467.37158	100.0
486.71606	3.4
493.38687	4.3
525.41217	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81135	0.6
55.05497	1.6
57.03410	1.6
57.07059	3.9
61.02912	7.4
67.05482	2.5
69.03400	4.6
69.07060	0.7
71.08601	3.3
73.02882	5.4
79.05470	1.4
81.03399	2.7
81.07030	3.0
83.08610	1.3
85.02873	7.2
85.10172	0.7
91.03911	4.9
91.05447	1.2
95.08587	1.6
97.02866	4.9
101.02365	1.5
107.08561	1.2
109.02841	0.9
109.22547	0.6
121.06504	0.8
127.03886	1.1
135.11646	1.2
142.73643	0.7
145.10161	1.5
163.11154	3.1
223.28339	0.6
243.08365	2.6
266.75372	0.8
278.83292	0.7
314.98462	0.7
362.30688	1.0
406.10101	0.8
454.13660	0.7
467.18707	8.5
497.30469	4.9
675.65356	0.7
723.42645	100.0
724.42975	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	722.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01860	7.6
55.05244	0.6
55.05501	15.6
57.03420	15.2
57.07070	0.5
58.20996	0.4
59.04981	1.1
61.02897	0.9
67.05483	19.5
69.03389	2.7
69.07041	5.3
71.01335	1.0
71.04956	3.3
76.59692	0.5
79.05460	20.8
81.03391	61.4
81.07030	21.8
83.01318	5.7
83.04956	11.5
83.08591	20.0
85.02886	4.5
85.06513	0.8
90.09473	0.5
91.03905	0.5
91.05450	19.8
93.07012	22.5
95.04935	23.7
95.08567	8.1
97.02858	5.2
97.06508	3.5
97.10120	6.9
105.07004	14.7
107.04922	11.2
107.07889	0.9
107.08568	12.5
109.02869	2.1
109.06502	6.6
109.10139	4.3
111.04430	3.1
111.08051	5.0
115.05397	0.7
117.06974	7.3
119.04959	0.8
119.08546	11.6
121.05740	0.6
121.06474	5.0
121.10088	6.7
123.04401	0.7
123.08023	5.2
125.05958	0.8
125.09588	5.6
129.06976	8.4
130.07764	0.6
131.04892	0.8
131.08522	9.5
133.06442	3.7
133.10071	3.4
135.08003	2.4
135.11661	8.4
137.05916	0.8
137.09575	2.5
142.07724	0.9
143.08534	2.5
145.06482	2.7
145.10089	10.9
147.04375	0.9
147.08018	5.6
147.11623	5.0
149.05978	0.6
149.09592	3.2
153.12711	2.2
155.08508	2.6
157.06410	0.6
157.10075	5.8
159.08087	0.6
159.11722	0.6
161.05925	4.1
161.09608	0.9
163.11136	12.5
165.12659	0.7
169.10121	0.7
171.08025	0.6
173.06004	0.6
173.09631	4.1
175.07654	0.8
175.11130	5.6
181.12073	1.9
185.09692	0.8
187.11148	1.0
189.09157	1.1
189.11150	1.2
191.10672	1.2
193.12195	12.8
195.11729	0.7
205.12216	2.0
209.09872	0.6
209.11719	2.4
211.11118	0.7
213.12694	0.7
215.28185	0.5
225.12668	0.6
227.12756	2.1
231.13745	2.6
243.13634	0.7
249.14830	0.8
265.14276	0.9
267.15820	25.1
269.15347	0.6
271.13217	1.8
273.14899	2.4
283.15286	15.8
287.16391	0.6
289.14273	4.0
301.14313	0.6
337.21469	1.0
339.05209	0.6
347.20035	0.6
355.22650	2.2
365.20886	3.9
365.33090	0.6
372.82663	0.6
383.22015	14.3
401.23108	8.3
402.05774	0.5
419.24142	1.1
421.23898	0.7
439.24710	1.0
457.25684	21.9
457.31915	1.0
475.26767	100.0
476.27170	2.0
493.27795	11.7
517.27991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.80272	0.2
55.01857	0.2
57.03424	0.4
57.23426	0.2
59.05232	0.2
62.53979	0.2
65.03902	0.2
66.84272	0.2
69.03402	0.4
71.04957	1.1
75.04444	0.3
76.54303	0.2
78.04685	0.9
79.05453	1.2
85.02878	2.2
87.04431	0.4
91.05437	3.2
93.03371	0.9
93.06988	0.9
93.33710	0.2
94.07330	0.2
95.04929	1.0
97.02843	0.4
97.06495	0.3
98.97535	0.8
103.05436	1.4
104.86577	0.2
105.04536	0.2
105.06985	1.1
106.04143	3.0
107.04914	2.6
109.06486	0.2
115.03848	0.3
116.98595	0.4
117.03317	0.2
119.04914	2.5
121.06464	4.5
123.04380	2.8
124.05166	1.3
125.05965	0.8
128.98528	0.3
129.05429	0.4
131.04893	2.1
133.06435	1.2
134.03603	0.7
135.04359	0.8
135.08092	0.2
137.05936	10.5
139.07442	0.4
145.02774	0.4
147.04327	0.3
148.05150	0.3
149.05927	4.6
151.02058	0.2
151.03885	0.3
151.07494	5.2
152.04636	0.8
153.09027	0.9
155.94577	0.2
161.05945	3.5
161.09598	0.4
162.01373	0.2
163.03844	1.7
163.07469	1.9
167.06978	100.0
168.07327	1.0
177.04051	0.2
177.05370	2.2
179.01639	0.3
179.06882	0.7
181.08521	8.7
189.09081	0.8
190.00829	0.4
191.06908	0.5
193.08548	2.6
208.01799	0.4
209.07985	2.3
211.09590	11.4
219.01694	0.9
220.10538	0.2
223.04161	5.7
224.03531	0.2
237.02679	1.4
249.05139	0.2
295.06033	0.3
311.05258	0.3
312.08841	0.4
321.03952	0.4
330.09869	0.3
339.04977	1.4
361.16220	0.7
442.82330	0.2
473.23367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.2
60.74466	0.2
65.03909	0.2
65.30812	0.2
65.36222	0.1
66.41428	0.2
67.05466	0.3
69.03366	0.2
83.04934	1.4
84.62714	0.2
85.02863	0.3
86.76921	0.2
91.05408	0.2
92.63309	0.2
93.03358	0.4
93.06984	0.2
95.04896	0.3
107.08503	0.3
111.04406	1.4
116.24743	0.2
119.04884	0.3
119.81724	0.1
120.05168	0.2
139.03845	0.3
147.04326	1.8
147.05299	0.2
152.06242	0.2
157.04956	0.2
163.03819	1.4
163.05348	0.8
169.06406	0.2
179.03343	0.2
181.06415	2.0
191.04822	2.8
193.06483	0.3
197.05951	1.4
209.05847	1.5
213.05582	0.2
219.04321	2.0
221.05893	3.3
222.84087	0.2
225.05370	0.8
231.27357	0.2
236.04628	0.2
237.05376	11.6
239.07079	0.2
247.03772	4.4
249.05344	6.2
253.04681	0.2
265.04843	10.8
269.04581	0.2
275.03262	1.0
277.04813	0.8
283.05963	0.7
293.04321	38.3
294.04651	0.8
295.05716	0.6
309.07489	0.3
310.07626	0.2
311.05380	21.2
320.46997	0.2
321.03802	41.7
322.04114	0.7
339.04861	100.0
340.05127	2.1
370.40408	0.2
385.65729	0.2
513.10071	4.1
653.05011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.7
55.01846	2.6
55.05241	1.8
55.05495	29.7
57.03419	15.9
57.07048	2.4
61.79302	1.1
65.03911	2.2
67.05481	85.5
67.43065	1.1
69.07044	22.5
71.04962	2.1
76.54482	1.0
79.05459	87.7
81.03390	9.1
81.06551	2.7
81.07025	75.1
83.04944	12.8
83.08582	10.9
85.06528	1.9
91.05444	60.6
93.07009	87.3
95.04928	19.4
95.08569	41.8
97.02856	1.4
97.06482	4.9
97.10099	1.5
105.06993	44.2
107.04900	5.3
107.08555	28.0
109.06482	6.5
109.10141	16.3
110.00323	1.3
111.08039	1.6
111.95522	1.2
117.06975	9.0
119.08535	26.7
120.08781	1.3
121.06474	1.5
121.10111	13.5
123.08012	1.8
123.11722	1.8
128.06200	1.9
129.06949	11.4
131.08530	10.4
133.10057	9.8
135.11621	9.8
143.08475	9.7
145.10088	13.5
147.11642	19.7
159.11581	2.1
159.47513	1.2
161.09608	1.4
161.13188	7.9
171.11624	11.4
173.13132	1.9
184.07137	1.7
189.12686	1.8
207.13808	9.0
214.77666	1.2
261.22025	4.8
281.17389	22.4
293.14273	1.3
335.25696	44.2
541.38702	100.0
542.39166	3.1
721.41046	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70050	2.2
53.03918	11.6
53.31746	2.7
55.01651	1.9
55.01857	27.0
55.05497	36.9
57.03412	18.1
58.42558	2.3
61.02912	2.8
63.16590	2.2
65.03925	3.0
67.05156	3.3
67.05485	60.4
67.44537	2.7
69.03408	19.1
69.07038	45.8
70.22930	2.3
70.35815	3.0
70.46975	2.3
71.04958	5.6
71.43435	2.5
72.88942	2.6
79.05458	52.5
81.03381	92.1
81.07025	67.3
83.04961	26.9
83.08590	23.1
85.02865	16.3
85.67440	2.6
86.09668	3.3
91.05444	82.7
93.07008	47.1
94.47807	2.6
95.01291	6.8
95.04926	38.0
95.08568	31.7
97.02875	26.1
97.06480	23.4
97.10135	4.2
99.08041	2.6
105.06294	4.1
105.06996	100.0
107.04956	21.7
107.08562	21.5
109.02826	11.2
109.06519	3.3
109.10119	16.6
111.04427	4.1
111.08071	3.9
115.05366	3.3
117.06963	20.6
119.08536	42.8
121.06478	4.9
121.10102	17.2
123.08010	5.2
123.11633	3.1
125.09541	2.5
127.03834	5.2
129.06953	17.4
131.08508	34.3
133.06401	4.3
133.10092	38.4
135.08011	3.2
135.11627	5.4
143.08504	5.2
145.10092	14.2
145.98546	2.8
147.11633	27.1
149.09543	13.4
150.03487	3.3
152.44145	2.8
153.01045	3.0
153.12726	3.0
156.04379	2.8
157.10074	18.0
159.11583	6.9
163.11121	5.3
171.11603	3.3
175.11089	6.6
177.12675	4.1
179.14215	5.6
184.07253	3.2
193.12111	25.6
211.13261	21.8
267.15952	22.1
275.19962	49.6
281.14978	2.9
295.05795	3.6
320.66739	3.4
349.23651	35.0
373.73898	3.0
429.21030	26.9
541.34875	61.4
559.36011	18.8
703.40198	52.0
721.36969	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	721.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09255	1.1
53.00303	1.3
54.38310	1.3
55.05482	3.1
57.03419	1.6
57.07058	1.5
61.02889	6.2
63.25166	1.4
67.05479	2.2
69.03391	2.4
69.07044	2.8
71.08617	1.5
73.02901	2.4
79.05467	3.1
81.03411	2.3
81.07024	3.3
83.08597	2.5
85.02869	7.0
86.09682	9.6
86.18000	1.4
87.48269	1.3
91.03915	2.8
91.05463	2.9
93.06977	2.6
95.08581	3.1
97.02849	5.8
99.73920	1.6
101.02339	2.3
105.07043	1.5
107.08553	2.2
117.06956	1.4
119.08569	1.4
121.46932	1.4
124.99962	8.7
127.03902	1.9
145.10110	2.3
163.11156	2.1
168.15976	1.4
184.07254	23.9
185.07695	1.5
243.08327	1.9
257.77747	1.5
311.25778	1.6
342.03104	1.5
389.79929	1.4
467.18732	8.1
495.28998	7.5
720.43378	2.8
721.41052	100.0
722.41077	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.80897	1.3
55.05493	2.6
56.17998	0.9
57.03434	2.0
57.07042	1.2
61.02901	7.6
67.05472	5.2
69.03398	4.6
69.07037	5.5
71.08630	1.0
72.77054	0.9
73.02876	7.1
79.05461	4.0
81.03409	2.4
81.07018	5.0
83.04945	1.7
83.08591	1.8
85.02882	6.3
86.09676	2.3
91.03929	6.6
91.05451	1.3
93.07024	4.5
95.08585	5.8
97.02872	5.6
97.10146	1.3
99.04400	2.3
101.02339	1.3
105.06992	1.5
107.08555	2.0
109.10123	1.2
111.93305	0.9
119.08572	1.1
121.10187	1.9
124.99950	1.6
127.03899	1.7
127.11295	0.9
135.11678	1.2
137.13246	1.2
163.11205	1.2
164.95546	1.0
184.07289	7.6
185.28304	1.0
243.08391	1.9
250.67662	1.0
309.02258	1.4
379.37061	1.0
467.18753	4.7
495.29071	7.5
637.11462	1.2
658.69543	1.3
711.94543	1.2
721.41046	100.0
722.42188	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	720.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20145	1.7
55.01829	1.9
55.05490	13.5
57.03415	18.6
57.06786	2.5
57.07052	43.2
61.02893	3.5
67.05478	36.8
69.07036	23.8
71.04950	1.8
71.08609	27.1
71.27595	1.9
79.05454	14.0
81.07016	100.0
83.04941	3.6
83.08585	21.6
85.02869	3.4
85.06506	7.5
85.10146	11.6
86.09680	3.2
89.76963	1.7
91.05455	22.1
93.06998	13.4
95.08557	33.8
97.06483	4.9
97.10109	3.5
99.08051	2.7
103.73750	1.8
105.06989	42.6
105.68436	1.8
107.08543	9.0
109.10091	8.7
110.04775	1.8
119.08525	25.6
121.10095	22.6
123.08045	4.2
123.11648	37.8
127.07504	2.6
133.10085	2.0
147.11635	64.7
157.28130	2.1
165.12735	23.9
175.11124	2.2
184.07201	6.9
257.24701	2.5
267.15778	68.7
285.16821	63.8
313.27234	85.6
523.39667	81.7
589.21954	2.3
637.08246	2.0
682.77496	2.0
720.43311	2.8
721.35156	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	721.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07413	1.4
54.80898	1.7
55.05510	3.0
56.81399	1.2
57.03420	2.8
57.07045	1.5
59.30978	1.1
61.02911	6.1
67.05485	6.1
69.03401	2.0
69.07050	1.9
73.02892	3.0
76.55878	1.4
79.05453	2.7
81.03404	2.9
81.07036	6.7
83.08564	4.8
85.02884	3.6
86.09687	2.7
91.03926	1.6
91.05397	1.5
93.07026	2.4
95.08596	3.3
97.02881	8.4
97.10155	1.4
121.10111	2.1
135.11717	2.0
158.53941	1.4
163.11139	1.6
174.68184	1.4
176.77861	1.6
184.07338	8.4
222.55481	1.4
236.91167	1.4
243.08328	2.1
467.18842	8.4
495.29153	6.0
721.41077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91790	4.1
53.03905	4.4
55.05476	24.2
56.03496	4.6
57.03405	23.0
57.07061	40.0
59.11147	4.5
60.37605	4.3
67.05472	43.7
69.03375	6.7
69.07040	12.1
71.08591	30.8
79.05474	40.4
79.64877	6.3
81.03409	42.6
81.07019	37.6
82.09402	4.7
83.04939	9.1
83.08571	25.1
85.02869	21.5
85.10151	6.3
86.09663	8.8
88.47172	5.7
91.05447	32.0
93.06998	32.2
93.92933	5.0
95.04932	24.6
95.08553	46.3
97.02808	5.8
105.06979	34.9
107.08569	11.8
109.10103	20.2
119.08501	29.1
119.91491	5.3
124.99915	7.2
125.86088	5.1
129.06953	12.0
133.10104	5.2
145.37869	5.5
147.11652	11.5
157.10019	15.2
175.11040	7.0
176.21991	5.5
184.07317	26.0
193.12183	27.3
211.13225	31.3
267.15771	10.6
285.16757	26.7
301.69949	5.5
313.27176	46.8
394.79321	6.7
505.38376	9.6
523.39783	100.0
541.38129	8.4
719.61334	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	720.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
55.05491	18.2
57.03399	14.3
57.06829	2.0
57.07063	31.5
61.02921	2.7
67.05483	22.2
69.03391	4.4
69.07034	10.0
71.04967	3.0
71.08612	22.2
71.93719	1.9
79.05446	13.6
81.03380	50.7
81.07026	25.4
83.04956	15.5
83.08588	25.3
84.39310	2.3
85.02876	22.6
85.10155	14.7
91.05444	13.4
93.06979	13.8
95.04922	22.8
95.08570	25.5
97.02834	2.5
97.06497	3.1
97.10122	4.8
105.06969	11.0
107.04936	2.1
107.08533	3.9
109.06452	3.4
109.10118	10.1
111.04430	2.2
111.08042	7.9
113.90254	2.0
115.24802	1.9
119.08540	12.8
121.10101	5.1
121.75570	2.3
129.06950	5.0
131.08528	4.8
133.06444	2.1
133.10095	2.9
147.11609	12.0
149.09579	3.2
157.10080	9.1
175.11188	16.0
184.07310	3.1
193.12196	33.1
211.13255	31.8
267.15808	4.8
285.16849	19.5
313.27237	41.4
505.38321	3.1
523.39703	100.0
660.53851	2.3
678.91205	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40182	1.0
55.05490	7.8
57.07044	1.8
58.19505	1.0
64.32912	1.1
67.05481	30.8
69.03356	1.3
69.07027	5.8
79.05461	13.4
81.03381	38.0
81.07022	27.6
82.36336	1.1
83.04946	2.3
83.08575	10.6
83.62914	1.2
86.09663	6.9
90.98766	1.3
91.05440	10.1
92.09338	1.7
93.07028	10.1
95.04916	11.2
95.08560	17.9
97.10143	2.0
105.06993	5.3
107.04899	2.2
107.08564	5.3
109.10112	5.3
111.08051	1.7
119.08527	9.2
121.10106	2.5
124.99947	2.0
129.06924	2.4
131.08569	4.8
133.10080	4.3
147.11674	4.6
157.10126	2.6
175.11151	1.6
184.07268	13.8
193.12164	4.5
217.12604	1.4
236.16313	1.8
306.27930	1.8
365.72943	1.2
526.25195	1.5
529.38684	100.0
530.38910	1.8
670.40204	2.3
714.33057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.01855	0.9
55.05495	9.0
57.03415	2.0
57.07050	1.5
60.08150	0.5
65.03915	1.7
67.05482	34.2
69.07049	9.1
71.04958	0.8
71.07326	0.4
71.08591	0.7
76.11427	0.4
79.05460	14.5
81.03387	46.3
81.07024	33.1
83.04964	2.3
83.08588	11.8
84.90235	0.5
85.06509	0.7
86.09663	4.3
91.05445	14.3
93.06999	12.6
95.04933	12.6
95.08574	20.8
97.02872	0.6
97.06493	2.0
97.10140	2.3
98.98451	0.6
99.08033	0.6
105.07001	9.6
107.04920	2.5
107.08540	5.2
109.06494	1.6
109.10127	6.4
111.08030	3.5
115.05389	0.5
119.08543	8.0
121.06476	0.7
121.10106	5.5
123.08038	0.5
123.11664	3.6
124.99975	2.8
129.06950	5.5
131.08516	4.3
133.06474	1.6
133.10086	3.9
135.11626	1.0
137.13242	0.5
142.07716	0.9
142.86426	0.5
147.08060	1.8
147.11617	4.0
149.09592	2.3
149.13219	0.8
157.10059	4.7
161.13211	0.9
163.14723	0.7
175.11171	3.5
175.14604	0.6
184.07266	8.1
185.07562	0.6
190.27594	0.4
193.12164	6.3
236.16386	2.0
249.14880	0.4
263.23474	0.4
267.15802	0.6
304.92609	0.4
306.27884	2.2
337.03589	0.5
337.27356	0.8
444.24048	0.5
529.38708	100.0
530.38934	1.8
652.39063	0.5
670.41113	0.8
720.40643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
54.80470	0.9
55.01855	1.7
55.05494	11.2
57.03422	8.5
61.02901	1.1
65.03910	1.0
67.05480	26.0
69.03402	0.8
69.07034	4.0
71.04948	1.6
71.71069	0.8
79.05462	41.7
81.03387	64.6
81.07024	22.9
83.04951	9.2
83.08598	13.2
85.06505	1.0
91.04897	1.7
91.05444	34.7
91.06009	1.2
93.07005	35.4
95.04929	24.9
95.08575	13.6
97.02848	1.1
97.06502	1.7
97.10123	1.7
103.05451	0.8
105.07004	26.8
107.04935	6.1
107.08562	9.1
107.43974	0.9
109.06503	5.9
109.10115	4.6
111.04395	1.4
111.08051	5.3
115.05437	1.0
116.55965	0.8
117.06973	5.6
119.08547	20.5
121.06451	1.8
121.10111	6.2
123.08012	4.4
129.06975	12.5
131.08525	8.0
133.04247	0.8
133.06447	1.8
133.10071	8.7
135.11620	1.1
141.07002	1.0
141.92978	0.9
142.07741	1.0
143.08488	4.8
145.10095	6.7
147.08005	3.5
147.11639	20.8
149.09547	4.4
157.10077	5.9
161.09520	1.7
161.13228	4.3
161.31473	0.9
165.12589	1.1
171.11635	10.3
175.11079	5.9
189.12679	3.1
193.12154	12.6
207.13783	5.9
211.13254	1.1
212.23627	1.3
263.03424	1.7
267.15808	34.7
281.17386	17.6
291.02673	1.2
337.03439	7.2
345.64474	1.2
473.28824	100.0
474.29193	3.3
491.29572	1.5
515.30103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45795	0.7
53.03925	1.0
53.24080	0.8
55.05508	3.2
57.03419	1.9
61.02903	7.8
66.04712	0.7
67.05490	8.3
69.03402	4.2
69.07040	1.2
71.04984	1.1
73.02888	3.9
79.05074	0.7
79.05456	6.8
81.03396	3.5
81.07021	9.1
83.08581	1.4
85.02881	7.9
86.09678	3.5
91.03923	4.3
91.05455	4.8
93.07022	5.1
95.08585	5.2
97.02881	6.6
101.02348	1.7
105.06992	4.0
107.08532	1.8
109.10147	2.0
119.08579	2.0
121.10088	4.1
123.11642	1.1
124.99991	1.7
147.11668	4.9
165.12787	1.1
173.23784	0.9
184.07268	6.3
221.07893	1.1
229.14314	0.8
243.08408	1.1
268.75638	0.8
300.21881	0.9
313.27383	0.9
469.20428	8.5
474.62991	1.0
491.25958	4.4
718.38275	4.9
719.39362	100.0
720.39984	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	719.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.9
53.03917	7.5
53.12000	0.9
55.01856	4.3
55.05241	1.6
55.05493	29.4
57.03420	10.9
57.04029	0.9
57.07040	1.6
61.02892	1.7
62.25824	0.9
65.03906	5.3
67.05481	77.2
69.03392	5.1
69.07048	17.7
71.04957	4.4
73.02872	1.8
73.06522	1.0
73.20982	0.9
77.03911	1.3
79.05459	100.0
81.03387	25.7
81.07024	65.4
83.04936	7.5
83.08587	14.8
85.02890	2.3
85.06513	2.6
91.05446	96.2
92.62979	1.1
93.07008	81.2
94.07347	1.7
95.04926	29.3
95.08569	45.6
97.02834	2.6
97.06474	6.0
97.10148	2.6
99.08064	1.8
103.05434	2.1
105.04484	1.6
105.06997	83.8
107.04905	8.1
107.08558	36.3
109.06485	6.7
109.10149	10.0
111.08026	4.2
115.05376	2.7
117.06970	20.8
119.08539	58.5
121.06437	2.5
121.10097	16.8
123.08015	4.8
123.11654	1.9
125.09554	1.1
128.06168	5.5
129.06963	25.4
131.08521	25.0
133.06424	1.4
133.10086	35.5
135.11664	11.6
135.12541	1.1
137.09494	1.3
141.06909	1.8
142.07736	2.1
143.08501	18.0
145.10072	25.1
147.08044	4.0
147.11638	48.5
149.09549	2.0
149.13234	6.3
151.11070	1.3
153.34506	1.1
155.08508	4.9
157.10097	10.0
159.11668	11.5
161.09566	2.5
161.13210	18.2
163.11121	1.5
167.08449	1.9
169.10074	9.0
171.11630	23.1
173.13165	7.8
175.14761	9.9
181.10072	2.7
183.11592	5.5
184.07256	1.4
185.13182	7.5
187.14760	1.8
189.12675	7.4
193.10045	1.2
193.12088	1.3
195.11598	5.2
197.13237	4.8
199.14810	6.0
207.11803	1.1
207.13721	6.8
213.16299	2.1
223.14665	1.6
236.16356	2.0
241.19472	13.6
259.20490	25.7
275.19952	1.2
279.15836	5.2
281.17355	22.8
288.25595	1.1
302.01257	1.0
315.23001	2.7
333.24139	21.7
447.32321	4.8
465.33334	2.2
521.36078	1.7
527.37317	15.4
528.37592	23.6
529.38367	1.9
539.37189	41.7
557.38281	14.6
646.80341	1.4
701.42645	1.5
719.38940	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	719.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67643	0.2
52.77271	0.3
53.00281	0.5
53.03930	1.7
55.01854	0.7
55.05497	3.2
57.03420	2.8
61.02902	9.2
63.95740	0.2
65.03927	0.3
65.10734	0.2
65.41534	0.2
66.18417	0.2
67.05112	0.4
67.05478	11.6
67.39020	0.2
67.97472	0.2
69.03411	4.9
69.07049	2.0
71.01323	0.4
71.04965	1.2
73.02889	6.2
79.05463	10.3
80.05814	0.4
81.03384	11.0
81.07022	9.0
82.03712	0.5
83.04954	0.7
83.08591	1.7
85.02881	7.3
91.03926	4.4
91.05438	9.6
93.07011	10.5
94.07328	0.4
95.04920	4.3
95.08567	7.3
97.02853	6.4
99.04443	1.5
99.07969	0.3
101.02333	2.2
103.03923	0.3
105.07002	3.9
107.04907	1.1
107.08544	3.8
109.02872	1.2
109.10107	3.5
111.04446	0.3
111.08073	0.5
115.03899	0.4
117.07000	1.3
119.08535	5.8
121.10079	3.9
123.08087	0.3
123.11603	0.4
127.03879	2.4
129.06917	0.9
131.08524	2.4
133.10081	2.2
135.11702	2.1
137.09589	1.7
145.10069	0.7
147.07965	0.5
147.11687	1.9
149.13203	0.4
157.10103	0.7
159.11699	1.2
165.09076	0.5
175.11143	0.5
175.14876	0.3
184.07318	0.6
185.04211	0.5
193.12169	0.6
223.09390	0.7
236.16422	1.2
236.18663	0.3
243.08348	1.7
335.25629	0.7
360.82422	0.3
441.17029	3.4
466.59659	0.3
491.40375	0.3
498.70642	0.4
519.29169	7.0
522.59137	0.4
527.37103	9.3
528.37421	11.6
719.39471	100.0
720.39856	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05497	1.4
57.03409	2.2
61.02904	6.6
61.13465	0.2
64.79371	0.2
67.05487	3.0
67.27486	0.2
69.03410	3.7
69.07040	1.0
71.01313	0.4
71.04972	0.5
73.02492	0.4
73.02885	4.8
79.05461	4.3
81.03388	3.7
81.07031	4.3
81.38237	0.2
83.04952	0.5
83.08598	1.4
85.02879	6.9
87.04435	0.3
91.03915	3.5
91.05436	3.5
93.07001	3.5
95.04931	2.1
95.08554	2.0
97.02848	5.1
97.06450	0.3
99.04417	1.1
101.02346	2.1
105.06991	2.5
107.08586	1.3
109.02859	0.6
109.06536	0.4
109.10121	0.9
111.08054	0.2
115.03960	0.3
117.07032	0.4
119.08581	1.8
121.10122	2.1
123.11662	0.3
127.03840	1.7
128.80472	0.2
129.06993	0.9
131.08545	1.2
133.10100	1.4
135.11702	0.4
137.09569	0.2
137.72649	0.2
145.04970	0.3
145.10086	0.3
147.11708	1.1
149.09636	0.3
157.10124	1.0
175.11162	0.4
185.04164	1.1
190.46704	0.2
193.12233	1.6
211.13289	0.5
216.56456	0.2
216.77998	0.2
243.08316	2.6
250.18175	0.2
251.12485	1.3
267.16299	0.2
269.37158	0.3
285.17130	0.3
316.24640	0.3
469.20236	8.0
491.26074	5.0
597.71637	0.4
719.39526	100.0
720.40100	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	719.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05485	3.5
55.28782	0.7
57.03427	1.5
57.07060	0.7
61.02900	7.6
67.05169	0.8
67.05479	8.3
69.03394	4.4
69.07053	1.6
73.02877	3.5
79.05465	6.8
81.03384	8.7
81.07023	5.0
85.02871	5.5
86.09653	1.8
91.03912	3.5
91.05444	6.1
93.07022	7.9
95.04938	1.6
95.08562	4.9
97.02869	4.2
97.10181	0.9
101.02370	1.4
105.06998	3.6
107.08578	1.6
109.10129	1.2
117.33543	0.8
119.08546	3.5
121.10102	1.9
123.08067	0.9
124.99878	1.2
131.08595	1.0
184.07265	4.2
185.04156	1.2
193.12306	1.0
243.08212	1.3
361.36987	0.9
441.17102	3.7
469.20407	4.3
491.26376	1.6
519.28741	1.3
719.39404	100.0
720.39813	1.2
723.70856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	1.6
53.03929	2.5
55.01854	4.4
55.05246	1.4
55.05495	38.6
57.03154	1.3
57.03416	27.4
57.07042	5.9
60.08155	1.0
61.02901	6.0
67.05480	47.8
67.75690	0.9
69.03395	5.0
69.07037	35.9
71.04959	6.7
71.08585	4.2
72.56024	0.9
73.02872	1.7
79.05462	35.1
81.03384	65.4
81.07020	56.8
83.04948	17.3
83.08585	39.4
85.02869	32.0
85.06506	2.0
86.09664	4.4
91.05438	31.9
93.07001	30.2
95.04926	24.5
95.08571	34.4
97.02856	5.8
97.06492	6.1
97.10128	15.3
98.51651	1.2
99.08051	2.2
105.06992	23.1
107.04921	6.8
107.08550	17.2
109.06481	5.6
109.10116	9.9
111.04419	3.8
111.08051	9.9
111.11696	4.0
113.05968	1.3
115.05460	1.4
117.06921	1.8
119.04897	1.3
119.08524	21.0
121.06436	1.4
121.10101	22.6
123.08038	1.8
123.11653	6.5
124.99978	1.6
125.09591	2.1
129.06972	9.7
131.08516	12.5
133.06435	1.8
133.10107	10.4
135.11641	10.7
137.13219	1.8
142.07779	4.4
145.10069	1.8
147.08047	4.9
147.11653	18.6
149.09602	7.2
149.13187	2.3
157.10066	15.6
163.11139	1.2
165.12720	2.0
175.11089	17.7
175.12459	1.3
184.07272	8.9
193.12172	38.1
211.13217	44.0
237.22098	1.4
267.15826	12.9
285.14285	1.4
285.16830	61.1
311.25684	68.2
330.75443	1.2
503.37170	16.8
521.38171	100.0
522.38226	5.3
577.40723	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44860	1.6
53.00292	1.6
53.03912	2.1
55.01844	1.9
55.05495	33.3
57.03418	25.0
57.07050	10.1
61.02895	7.1
62.96962	1.4
67.05479	38.4
69.03391	6.7
69.07045	33.1
71.04948	6.4
71.08611	3.0
71.31731	1.6
73.02901	2.0
79.05457	38.9
81.03384	58.6
81.07021	52.8
83.04939	20.4
83.08079	1.5
83.08582	47.0
85.02876	29.9
85.06495	3.8
91.03948	1.8
91.05437	32.2
92.08622	2.8
93.07008	30.8
95.04920	29.3
95.08567	28.6
97.02846	8.2
97.06474	7.7
97.10154	11.3
97.85844	1.6
99.08073	2.6
105.07002	18.2
107.04900	3.0
107.08533	11.5
109.06484	2.7
109.10119	6.3
111.08034	11.4
113.05985	1.9
119.08561	19.7
121.10099	22.8
123.08052	2.2
123.11661	2.9
125.09521	2.5
129.06961	11.3
131.08519	10.9
133.06445	2.3
133.10065	12.2
135.11618	7.7
139.11111	2.6
147.11673	16.6
149.09575	7.5
149.13249	2.8
157.10072	14.9
163.11082	2.3
165.06505	1.8
165.12584	2.0
175.01518	1.5
175.11099	11.2
176.92357	1.4
184.07266	3.5
184.72902	1.7
193.12157	33.4
211.13213	47.5
211.15103	2.7
237.22057	2.3
267.15802	16.1
285.16837	55.3
311.25677	62.0
473.05515	1.8
503.37357	12.5
521.38177	100.0
546.37262	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	718.472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26427	1.0
50.29415	1.0
53.03926	2.4
55.01844	2.8
55.05241	2.0
55.05494	41.8
57.03152	1.4
57.03417	28.9
57.07053	8.3
61.02896	8.6
67.05115	1.6
67.05478	44.7
67.05819	2.4
69.03400	5.3
69.07039	38.3
71.04963	6.0
71.08598	2.2
73.02882	1.6
79.05456	35.0
81.03383	59.3
81.07024	48.7
83.04958	19.5
83.08590	44.5
85.02882	31.5
85.06506	1.8
86.09661	3.1
91.05448	32.6
93.07008	37.6
95.04929	22.1
95.08568	32.8
97.02840	5.5
97.06499	7.7
97.10120	17.1
101.19048	1.5
105.07006	27.2
107.04922	6.8
107.08551	16.6
109.06482	5.0
109.10126	8.2
111.08031	10.8
111.11653	1.6
117.06985	1.3
119.08553	20.1
121.10101	18.6
123.08043	1.6
123.11662	2.8
124.99942	4.7
125.09531	1.3
129.06950	13.1
131.08551	12.1
133.06476	2.1
133.10068	10.5
135.11644	10.6
137.09589	2.3
137.13179	1.8
145.10060	2.0
147.08032	2.1
147.11661	13.8
149.09602	6.8
149.13217	2.4
157.10056	16.3
163.11113	1.5
165.12711	2.3
175.11125	12.6
184.07251	10.5
193.12170	39.5
195.00232	1.4
197.85780	1.4
211.13214	39.6
267.15790	12.3
285.16840	51.7
311.25677	64.1
445.90924	1.3
464.60562	1.3
503.37024	15.0
521.38171	100.0
522.38147	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	718.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38972	0.4
53.00277	1.0
53.03910	1.8
53.99802	0.3
55.01855	7.3
55.05494	21.6
57.03419	23.4
57.07057	42.7
59.04961	2.7
61.02903	8.7
62.03146	0.4
67.05478	16.3
69.03381	2.3
69.07041	10.6
71.01302	0.8
71.04964	4.1
71.08604	29.1
73.02866	1.8
75.04441	0.5
79.05464	17.3
81.03386	10.3
81.07023	28.7
83.00878	0.6
83.01316	10.7
83.04951	11.4
83.08587	21.5
85.02452	0.6
85.02879	11.5
85.06513	1.0
85.09666	0.5
85.10149	15.8
88.54592	0.4
89.05977	1.7
89.59863	0.4
91.03922	3.2
91.05444	10.5
93.07004	24.8
95.04927	7.3
95.08570	21.9
97.02387	0.4
97.02853	7.1
97.06483	4.3
97.10127	6.0
97.11887	0.4
99.04419	3.0
99.08040	0.4
99.11666	0.8
103.05399	0.5
103.07511	0.8
105.06988	8.4
107.04922	7.9
107.08555	11.6
109.06475	7.1
109.10126	10.2
111.04360	2.2
111.08013	2.1
111.11642	0.6
115.05362	0.5
117.06991	7.6
119.08533	8.4
121.06472	3.7
121.10092	7.7
123.04401	0.5
123.08020	9.2
123.11634	3.3
125.05908	0.6
125.09578	0.7
129.06898	0.7
130.07751	1.7
131.08548	4.0
133.10022	1.8
135.08005	1.9
135.10677	0.6
135.11647	12.2
135.12656	0.5
137.09547	2.0
137.13220	0.7
143.08601	0.9
145.10078	15.7
147.07982	1.9
153.12677	2.6
155.08498	0.7
163.11118	26.2
173.09543	2.7
174.48830	0.5
181.12207	4.2
184.07336	1.0
191.10570	2.0
193.93170	0.4
209.11658	6.1
227.12682	2.6
239.23616	2.5
239.55785	0.4
257.24637	3.5
264.10364	0.4
283.15289	100.0
284.15598	0.8
291.09836	0.5
313.27246	86.0
314.27551	1.6
456.77490	0.4
476.78714	0.5
521.38202	57.0
522.38257	0.6
529.91339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07024	1.0
58.66183	0.9
60.08141	8.6
63.78580	1.0
64.33112	1.1
69.07059	1.4
71.07342	2.8
76.55785	1.2
77.66328	1.1
79.05473	1.8
81.07024	4.4
86.09162	2.1
86.09675	48.0
95.08553	1.1
98.98412	2.4
101.64557	1.2
104.10683	2.5
119.08575	1.1
124.99954	35.8
184.07274	100.0
195.00188	5.0
201.81081	1.3
344.02164	1.3
428.78268	1.3
546.38104	1.5
618.29633	1.3
718.45685	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	718.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69137	3.4
52.82293	3.2
55.05495	16.7
55.90260	3.3
57.03417	21.8
57.07058	68.7
61.02918	4.1
67.05470	19.1
69.07043	20.4
71.08616	29.6
71.08932	3.2
73.02865	3.4
79.05473	27.7
81.07046	33.0
83.08612	26.7
83.52020	4.1
85.10162	22.9
89.06005	18.5
91.05488	4.3
93.07014	39.7
93.88692	3.3
95.04946	7.7
95.08583	52.8
97.10137	4.6
105.06993	6.8
107.04929	14.4
107.08563	32.8
109.10134	4.1
117.06997	5.0
119.08533	5.2
121.06430	5.7
121.10114	16.0
133.08557	6.2
135.11673	67.6
145.10094	30.6
163.11124	69.1
172.46744	3.3
174.78200	4.1
181.12209	8.4
181.88300	4.1
184.07204	4.0
227.12715	63.1
283.15317	80.1
313.27325	100.0
442.97305	4.0
494.73141	4.4
521.38245	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	718.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.8
54.81414	0.5
55.01852	0.7
55.05280	0.6
55.05497	8.8
56.55285	0.5
57.03423	1.9
57.07040	0.6
65.03924	0.7
67.05479	23.3
69.03387	0.9
69.07039	4.9
71.04971	0.9
79.05006	1.0
79.05460	25.0
81.03385	50.1
81.07026	20.1
83.04942	3.1
83.08591	8.4
91.05442	17.3
91.17765	0.6
92.70592	0.5
93.06425	0.9
93.07007	23.5
95.04923	14.7
95.08566	13.7
97.02842	1.1
97.06491	0.8
97.10085	0.9
105.06993	13.0
107.04906	3.8
107.08565	11.1
109.06469	2.4
109.10121	4.7
111.08047	3.3
117.06954	3.0
119.08539	9.6
121.10101	10.7
123.08038	0.7
123.11667	0.7
129.06973	5.7
131.08542	7.6
133.06471	1.2
133.10071	5.1
135.11613	3.6
137.09583	0.7
142.07721	1.3
145.10049	2.3
147.07988	2.1
147.11649	4.1
149.09544	3.5
149.13170	0.8
157.10059	5.6
159.11533	0.8
165.12617	0.6
175.11125	4.4
184.07465	0.6
193.12158	5.6
216.04791	0.6
236.16362	1.2
249.14742	1.0
304.26123	1.2
424.34882	0.7
527.37122	100.0
528.37280	3.0
668.38910	0.7
719.38898	1.0
732.08820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.9
53.03926	1.4
55.01846	3.3
57.88652	0.7
65.03909	4.2
65.08575	0.7
66.04691	0.6
67.05469	1.5
69.03384	0.9
75.04439	1.4
78.04674	1.3
79.05447	5.4
81.03379	3.5
81.07022	1.5
85.02858	5.4
89.03838	0.9
91.05447	13.8
91.79428	0.6
93.03368	5.5
93.06998	3.5
94.04134	3.3
95.04940	7.7
97.06492	4.1
103.04767	1.3
103.05437	33.6
105.03347	3.0
105.04459	0.8
105.07014	6.0
106.04147	17.2
107.04334	0.7
107.04935	10.8
108.02080	1.7
109.06477	1.1
110.03607	0.9
111.04401	3.8
115.05418	7.2
117.07015	5.7
118.04135	7.0
119.04900	4.0
120.05673	0.8
121.02796	0.7
121.03928	0.9
121.06474	20.9
122.03593	5.7
123.04388	4.8
123.08072	0.8
124.05194	1.3
125.05931	8.0
125.78510	0.7
128.06152	1.2
129.06949	3.2
130.04092	1.1
131.04890	52.1
131.08575	1.1
131.72195	0.7
132.05630	1.7
133.02817	4.0
133.06438	8.1
133.84357	0.9
134.03595	4.0
135.04352	2.9
135.08000	3.8
137.05936	100.0
138.03084	0.7
138.06279	1.4
139.07489	3.0
141.05400	4.4
143.04874	3.0
144.05641	1.1
145.02812	1.2
145.06410	7.2
146.03572	2.7
146.24715	0.8
147.04341	2.6
147.07993	1.0
148.05138	16.4
149.05939	31.1
151.03870	92.4
151.04977	6.7
151.07491	3.6
151.94995	0.7
152.08270	1.1
153.05412	4.3
153.09055	5.6
157.06503	1.0
159.04352	1.3
159.07999	1.5
160.05040	2.2
161.05902	7.0
162.01323	1.1
163.03845	4.4
163.07487	36.1
165.05415	4.0
165.09114	0.8
167.06999	23.8
171.04395	1.2
171.06445	1.1
173.05966	5.4
174.06729	1.3
175.07478	8.2
176.04616	5.5
177.05415	20.5
177.06920	0.8
177.09024	0.9
179.01593	1.0
179.07002	0.8
181.04893	27.0
181.06497	0.9
181.08524	11.7
187.07469	4.1
189.09007	1.6
190.00778	1.7
190.06165	1.1
191.06972	93.3
192.07680	3.2
193.08562	1.4
195.06514	1.0
199.07558	0.9
201.05217	0.8
203.06917	2.6
205.06409	1.1
205.08595	1.7
208.01854	1.5
209.08029	50.1
217.08557	1.1
219.10117	2.6
222.06688	1.0
223.04163	19.2
223.07436	1.1
231.06340	0.7
233.07959	4.4
234.06740	1.2
235.07419	1.2
235.09607	3.1
237.09061	3.9
249.08920	1.2
259.09595	1.0
263.09076	11.0
265.08426	2.5
267.10056	1.7
277.08429	0.8
295.09274	1.3
309.11041	1.1
312.09045	1.4
325.10510	1.0
329.13760	2.3
337.10431	1.5
351.12326	1.1
355.11676	5.0
364.87625	0.8
367.15314	1.2
369.13281	2.9
387.14200	25.1
453.97766	0.8
538.13440	0.8
555.40424	0.8
677.21777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86399	0.4
53.03247	0.5
53.03926	1.0
55.01854	0.5
55.05490	2.7
55.52475	0.5
57.03414	3.7
61.02910	8.3
67.05480	8.8
69.03396	4.6
69.07049	1.1
71.01326	0.5
73.02886	6.2
79.05456	7.8
81.03394	1.3
81.07032	8.2
83.04935	0.6
83.08583	0.9
85.02876	8.6
91.03928	4.6
91.05441	5.7
92.09453	1.1
92.21368	0.6
93.07002	7.9
95.04956	0.6
95.08566	5.5
97.02849	6.8
99.04374	0.9
101.02337	3.2
105.06979	2.5
107.08571	3.1
109.02863	0.6
109.10110	1.3
114.35340	0.5
115.03970	0.5
117.06973	3.5
117.57462	0.6
119.08541	1.2
121.10119	2.8
123.11675	0.7
127.03870	2.2
131.08562	0.8
133.10114	0.7
135.08023	2.2
135.11682	0.9
145.04941	0.6
161.13249	0.6
184.07358	0.7
185.04175	0.6
200.30571	0.5
243.08357	1.9
439.15747	3.1
449.99008	0.5
519.29083	8.7
519.36096	1.0
553.10114	0.6
655.05365	0.7
717.37952	100.0
718.38104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.80907	0.4
55.01857	2.0
55.05496	4.7
55.37288	0.3
57.03422	3.9
57.07057	0.8
59.04964	0.6
61.02899	7.7
65.03911	0.4
67.05479	7.9
69.03408	3.7
69.07043	4.4
70.66106	0.3
71.01313	0.6
71.04941	0.7
71.08596	0.4
73.02889	4.2
73.40754	0.3
79.05471	7.0
81.03384	2.8
81.07022	7.5
83.01336	0.7
83.04951	2.5
83.08591	3.6
85.02869	6.3
85.06500	0.6
88.73782	0.4
91.03915	3.1
91.05440	3.3
93.07007	9.9
95.04945	0.8
95.08569	5.2
97.02861	4.6
97.06515	1.7
97.10160	2.1
99.04440	0.5
101.02342	2.2
103.03939	0.4
104.82722	0.4
105.07020	1.7
107.08549	5.6
109.02844	0.5
109.10152	0.8
117.06979	0.6
119.08572	1.7
121.10101	3.0
127.03875	1.7
133.10091	0.4
135.11627	5.6
144.72906	0.4
145.10074	2.3
149.13255	0.5
163.11208	2.4
181.12253	0.8
184.07274	0.7
194.86845	0.4
203.05275	0.5
243.08296	1.9
257.92166	0.4
275.82404	0.4
283.15286	7.9
284.15604	3.2
307.93170	0.4
311.25702	6.3
312.26096	2.2
399.33771	0.5
439.19339	10.2
519.28992	4.3
519.36694	2.5
520.36774	3.8
545.38904	0.5
717.41571	100.0
718.42059	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	717.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.25586	0.6
53.72751	0.5
55.01867	0.8
55.05496	7.3
57.03412	6.0
57.07063	0.6
61.02904	9.0
64.58868	0.5
65.03920	0.6
67.05479	10.8
69.03413	5.5
69.07034	4.6
71.04952	2.3
71.07127	0.5
72.93954	0.6
73.02897	5.6
75.81670	0.6
76.55362	0.6
79.05468	9.2
81.03390	10.6
81.07024	16.0
82.07351	1.1
83.04948	3.6
83.08602	5.4
85.02878	12.3
91.03942	2.8
91.05441	8.5
93.07015	12.0
95.04942	4.8
95.08566	6.9
97.02853	6.3
97.06493	1.1
97.10147	0.8
99.04418	0.8
99.08064	0.7
101.02363	2.4
103.03897	0.7
105.06989	5.6
107.08599	4.3
109.06500	0.7
109.10149	2.3
111.08027	1.4
117.06966	1.1
119.08556	3.4
121.06425	0.7
121.10098	4.9
123.08044	0.6
127.03914	1.1
129.06992	0.9
131.08560	1.0
133.10123	3.5
135.11668	2.3
139.38434	0.6
145.10103	3.4
147.11665	2.4
157.10173	1.5
163.11179	2.5
175.11188	1.1
184.07257	1.0
185.04135	1.0
191.90479	0.7
193.12234	4.0
194.12634	0.6
211.13293	2.7
212.13698	0.8
217.71994	0.6
230.23169	0.7
243.08363	2.4
260.14725	0.6
267.15891	1.2
285.16867	6.5
286.17197	0.7
309.24240	3.8
310.24640	1.3
334.34631	0.7
467.18951	7.3
491.25998	6.0
519.36572	6.0
520.36902	4.5
717.37946	100.0
718.38092	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48995	1.7
55.05489	8.0
57.06794	2.1
57.07057	47.5
67.05472	3.6
69.07030	4.1
71.08604	37.4
73.06519	13.3
73.48530	2.1
78.67016	2.0
81.07034	5.0
83.08588	8.3
85.10149	23.8
87.04440	10.9
89.05998	100.0
93.06992	3.3
96.31714	2.2
96.56882	2.3
97.10126	3.0
117.09070	3.0
133.08560	33.2
135.11656	2.3
177.11244	15.9
185.01375	2.0
194.42603	2.2
205.59171	2.3
216.06732	2.1
285.27774	8.2
300.80814	2.3
312.88483	2.0
329.30383	3.9
503.30682	2.5
536.49915	3.2
675.26373	3.6
699.52435	3.1
716.54456	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	717.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01857	1.0
55.05498	3.3
55.41476	0.5
55.60741	0.5
55.74832	0.7
57.03415	2.8
61.02901	9.6
67.05487	7.5
69.03412	3.7
69.07028	0.7
72.05746	0.6
73.02882	6.2
79.05458	8.1
81.03384	4.2
81.07024	8.4
82.63509	0.7
83.08564	0.8
84.36363	0.6
85.02876	9.0
88.55128	0.8
90.74488	0.6
91.03912	5.0
91.05440	5.3
93.07001	9.3
94.73406	0.7
94.91784	0.6
95.04951	1.4
95.08583	5.4
97.02842	6.2
99.04414	1.6
101.02371	1.3
105.07027	2.7
107.04933	0.9
107.08551	2.9
109.10112	2.7
117.07063	0.8
119.08558	4.2
121.10117	3.0
122.92426	0.6
127.03883	2.6
130.27019	0.7
131.08507	1.4
133.10110	1.3
135.11678	1.5
145.10155	1.6
163.11162	1.1
184.07333	2.7
194.85049	0.7
235.59563	0.7
243.08310	2.9
248.18880	0.6
307.22678	0.7
313.69894	0.7
467.18460	5.0
491.25879	7.5
717.37909	100.0
718.38336	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	716.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.6
54.81170	2.2
55.05489	13.5
57.03411	11.8
57.07060	33.8
63.22341	1.7
67.05157	2.2
67.05482	36.2
69.07040	11.0
69.66484	1.8
71.08603	20.3
79.05463	49.7
81.03380	2.3
81.07016	33.4
83.04952	8.8
83.08592	10.1
83.34752	1.9
85.02853	1.9
85.10146	10.9
91.05441	24.0
92.09412	3.7
93.07010	41.6
95.04948	13.6
95.08572	30.7
97.06467	2.2
97.10116	7.9
105.07000	24.9
107.04916	2.9
107.08544	13.0
109.10125	8.1
117.06940	2.1
119.08536	17.0
129.06947	8.2
133.10085	4.4
145.10097	2.6
147.11668	22.0
149.01743	2.2
161.13188	8.0
171.11597	11.4
189.12708	2.2
207.13762	13.3
210.55348	2.0
256.75583	2.4
264.26718	6.8
281.17377	35.9
313.27197	38.2
519.32831	4.2
519.40295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53791	1.0
53.03916	2.4
54.19131	1.1
55.01857	2.7
55.05494	29.6
57.03419	25.6
57.07051	2.4
61.02899	6.9
65.03915	2.1
67.05481	69.1
68.05811	3.4
69.03406	5.5
69.07041	24.7
69.51935	1.5
71.04958	8.1
71.08581	1.7
79.05461	55.7
80.05798	5.3
81.03387	39.0
81.07027	100.0
82.07375	12.1
83.04951	17.0
83.08595	21.6
85.02869	26.3
85.06509	3.5
86.09692	1.9
89.60452	1.4
91.03918	2.0
91.05438	46.9
92.05785	3.0
93.07005	41.9
94.07349	3.2
95.04930	20.6
95.08572	41.7
96.08900	5.8
97.02824	5.2
97.06506	5.9
97.10144	7.3
99.08047	3.4
105.07003	31.7
106.07333	5.9
107.04910	2.6
107.08559	15.9
108.08893	3.0
109.06487	6.2
109.10116	15.0
111.08063	8.5
113.06013	3.1
117.07024	1.9
119.08536	32.3
120.08884	6.7
121.09267	2.2
121.10103	27.2
122.10426	2.4
123.08032	2.7
123.11667	16.1
124.12012	2.6
124.99980	1.5
128.06094	1.4
128.72092	1.4
129.06975	7.6
131.08528	12.5
132.15446	1.7
133.06390	2.0
133.10089	14.0
135.11671	7.4
137.09543	1.6
142.07669	1.5
145.10092	6.1
146.10515	2.2
147.08060	1.8
147.11641	34.7
148.11996	9.3
149.09602	3.1
150.13550	1.5
157.10068	9.9
165.12717	5.9
166.13094	2.1
173.13142	2.0
175.11121	9.8
184.07234	10.2
193.12198	23.5
211.13200	26.1
215.17848	2.2
216.18265	1.7
233.18796	1.7
234.19301	2.8
235.20479	2.1
267.15787	15.8
268.16199	5.3
285.16870	56.7
286.17111	11.0
287.17606	2.4
307.22552	10.8
308.22995	8.9
309.24103	36.8
343.06171	1.9
494.58569	1.8
501.35223	7.7
517.34912	2.0
518.35156	8.4
519.36511	69.0
717.37976	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	716.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.6
53.03921	1.2
55.01849	6.3
55.05494	33.3
57.03156	0.8
57.03416	22.2
57.03697	0.7
57.07054	9.7
59.04972	1.3
61.02902	8.6
67.05479	28.4
69.03387	1.7
69.07037	26.4
71.01322	0.9
71.04951	4.1
71.08588	3.5
73.02872	3.0
79.05456	25.5
81.03396	10.2
81.06547	1.4
81.07017	34.3
83.01300	11.2
83.04942	10.8
83.08586	35.6
85.02870	9.8
85.06506	1.0
85.10153	2.6
86.09676	1.5
91.03902	1.6
91.05426	11.6
93.06425	1.3
93.07001	33.0
95.04933	7.6
95.08563	23.3
97.02847	4.8
97.06492	6.6
97.10123	11.6
99.04415	3.6
99.08025	1.3
105.06995	9.9
107.04925	6.3
107.07876	1.3
107.08552	19.5
109.06468	8.3
109.10110	7.1
111.04394	1.3
111.08028	4.7
111.11697	1.0
117.06950	7.0
119.08546	10.0
121.06440	4.8
121.10091	21.7
123.08015	8.1
123.11633	3.0
124.44665	0.7
125.00009	0.8
125.05994	0.9
125.09539	2.5
127.03806	0.7
129.06917	0.8
131.08534	2.8
133.10095	1.4
135.07999	3.0
135.11635	17.3
139.11122	1.5
145.06477	0.7
145.10078	18.2
147.07991	1.1
149.13263	1.7
153.12666	3.6
155.08492	1.6
163.11118	26.0
163.14758	1.1
170.69214	0.7
173.09607	3.7
181.12187	1.6
184.07320	4.9
195.00223	1.7
209.11687	5.6
212.74272	0.8
213.40373	0.7
219.21039	1.0
227.12689	3.3
227.14667	0.8
237.22041	0.8
241.99910	0.7
259.15186	1.0
283.15277	100.0
311.25674	63.5
311.29410	1.2
312.25800	0.9
330.04047	0.7
519.36609	46.7
544.36633	2.7
646.22559	0.9
717.41608	1.3
717.63599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.1
53.03932	1.7
54.70424	0.8
55.01853	9.5
55.05246	1.7
55.05498	39.0
57.03149	1.4
57.03421	26.4
57.07064	11.8
59.04961	2.1
61.02903	9.9
67.05482	27.0
69.03393	4.2
69.06678	1.3
69.07043	26.0
69.62901	0.9
71.04963	4.4
71.08591	5.4
73.02874	1.4
74.71496	0.9
77.39787	0.9
79.05464	29.0
81.03397	11.2
81.07025	40.4
83.01315	11.8
83.04948	14.9
83.08589	39.2
85.02884	11.2
85.06511	1.4
85.10163	2.2
86.09682	1.6
91.03906	1.8
91.05442	13.8
93.07011	36.9
95.04953	7.0
95.08575	24.1
97.02863	5.9
97.06490	8.2
97.10123	11.9
99.04454	1.2
99.08098	1.8
105.06989	11.0
107.04905	10.5
107.08568	21.0
109.02864	1.1
109.06482	7.1
109.10107	8.6
111.04424	2.3
111.08058	4.5
111.11624	1.6
117.06963	8.2
119.08546	9.9
121.06448	1.8
121.10092	17.1
123.08022	6.9
123.11671	2.4
124.74627	1.0
124.99979	1.6
125.09599	5.1
131.08536	4.1
133.10092	1.4
135.08005	3.9
135.11653	20.4
137.09572	1.3
137.13240	2.0
145.10069	14.4
147.07956	1.6
149.13222	2.4
153.12675	2.5
163.11115	24.3
173.09564	1.7
181.12207	4.2
184.07391	8.0
191.10637	1.3
195.00226	5.3
209.11678	4.6
219.20871	1.4
227.12779	2.3
283.15295	100.0
311.25696	67.2
335.25882	1.3
350.89978	1.0
423.16696	1.1
519.36584	49.4
520.36359	1.7
544.36322	6.7
716.38489	1.2
717.40381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14939	0.3
79.20046	0.4
84.39721	0.4
85.02882	0.5
89.03903	0.6
91.05427	0.7
98.98450	0.3
112.79266	0.3
117.03333	1.8
119.04915	1.9
135.04384	2.2
145.02788	2.2
147.04364	7.8
148.04739	0.8
163.03836	11.7
164.04181	0.7
169.02550	1.6
179.03105	1.8
185.02042	1.7
195.68217	0.5
197.04147	4.3
203.03104	0.8
215.05194	12.0
257.03354	0.5
315.08316	0.7
331.07864	1.6
343.07785	1.3
343.11591	0.5
359.07202	5.9
359.11636	0.6
361.08807	71.0
362.09177	1.5
377.08295	100.0
378.08792	1.6
544.60364	0.4
715.16492	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	715.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.05500	8.8
56.99261	1.5
57.03423	3.0
57.07058	2.3
61.02919	11.1
67.05492	24.0
69.03412	3.5
69.07057	9.3
71.04977	1.5
73.02917	6.4
79.05456	16.1
79.40378	1.3
81.03382	2.7
81.07041	22.6
83.04942	1.7
83.08602	6.2
85.02901	6.5
86.09697	2.7
90.46513	1.5
91.03938	3.8
91.05450	17.4
92.08725	3.1
93.07020	14.8
94.07346	2.1
95.04931	2.6
95.08595	18.6
97.02876	10.6
101.02391	2.0
105.07002	14.3
107.08594	9.0
109.10152	3.1
117.06965	1.4
119.08559	9.0
121.10093	6.3
125.09691	1.4
129.17488	1.7
131.08511	2.6
133.10110	6.1
135.11671	3.6
143.24496	1.7
145.10129	5.9
157.10080	2.7
184.07353	8.3
195.00337	10.4
243.08452	2.0
312.32834	1.8
335.25708	2.6
382.64563	1.6
437.17654	2.0
442.34985	1.7
517.39075	7.5
518.39032	6.5
519.29608	6.5
543.36072	13.4
715.39905	100.0
716.40698	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	716.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27339	2.4
53.03913	3.4
55.01844	4.7
55.05287	2.8
55.05498	49.3
57.03423	30.0
57.07053	12.3
61.02896	16.6
65.40202	3.2
67.05476	36.1
69.03387	4.1
69.07043	41.4
71.04952	5.7
71.08572	3.5
71.11081	2.6
79.05465	35.2
81.03371	14.8
81.07018	50.4
83.01330	5.7
83.04937	15.8
83.08589	35.3
85.02865	21.2
86.09669	2.7
89.83757	2.6
91.05409	19.4
93.07002	41.2
95.04918	6.3
95.08573	35.2
97.02843	6.6
97.06506	5.5
97.10120	14.9
99.04395	4.3
105.06989	16.8
107.04903	6.7
107.08556	20.0
109.06501	4.7
109.10108	11.4
111.04418	3.0
117.06993	4.1
119.08521	14.7
121.10082	19.3
123.08030	13.3
123.11652	3.4
127.03949	3.4
131.08490	4.5
133.10123	4.4
135.11650	21.5
138.04405	3.0
145.10072	15.8
163.11162	24.2
184.07288	5.1
195.00214	28.8
209.11523	4.6
283.15274	70.1
311.25690	96.6
311.29279	3.7
365.25253	2.9
504.26154	3.1
519.29706	5.1
519.36578	83.6
543.35980	14.1
544.36591	47.3
545.38434	5.8
583.24603	2.8
608.42719	3.0
610.04413	3.6
715.38379	17.8
716.39862	100.0
717.40338	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	714.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.9
53.03927	0.9
55.05497	12.2
56.05025	5.5
57.07055	5.4
60.04496	2.5
66.55140	0.5
67.04201	0.5
67.05484	15.0
68.05002	1.1
69.03407	1.4
69.07046	12.3
70.06562	1.4
71.08598	2.9
79.05465	15.2
80.04989	3.7
81.05761	1.4
81.07019	13.7
82.06554	11.0
83.08595	7.7
85.02874	2.5
85.10180	1.2
91.05453	12.3
92.09403	1.2
93.07005	14.6
94.06536	26.2
95.04939	2.5
95.07310	13.7
95.08569	10.6
96.08096	7.6
97.10135	3.4
100.07616	0.8
105.06993	8.2
107.08563	6.5
108.08084	3.6
109.10122	3.9
111.11663	0.8
114.34659	0.5
119.08516	7.3
119.87386	0.6
121.08874	0.6
121.10105	7.1
122.09609	3.4
123.11638	1.0
124.94695	0.6
133.10112	5.1
135.10347	0.8
135.11644	3.7
147.09470	0.5
149.13226	2.5
202.58403	0.6
233.22653	0.6
234.21950	0.8
245.22560	3.5
250.25212	8.1
262.25201	100.0
263.25735	1.0
272.25729	3.5
280.26215	7.9
396.08691	0.6
504.47513	3.7
516.47577	30.1
518.49121	5.1
534.48633	19.0
696.53973	8.3
715.13214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60312	0.6
69.03390	0.7
69.24934	0.6
77.46453	0.7
83.04971	1.6
85.02900	1.3
87.16873	0.7
88.72028	0.8
89.03866	0.9
92.08711	1.0
111.04430	1.5
119.04864	1.1
121.02806	1.0
135.04393	3.1
139.03860	1.2
147.04395	3.4
163.03818	8.0
179.03139	1.1
197.04214	4.0
212.03854	0.7
215.05196	5.0
259.66452	0.8
299.08380	0.9
343.07764	3.0
359.07376	2.7
361.08600	7.3
377.08243	5.2
495.12689	4.2
523.11890	4.2
541.13416	4.8
613.97571	0.8
669.17560	1.4
697.17340	7.5
715.18182	100.0
716.18628	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	714.5498
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03913	0.7
55.01874	0.3
55.05244	0.4
55.05496	8.7
56.04804	0.3
56.05020	4.2
57.03414	0.4
57.07062	4.1
58.06583	0.9
60.04491	2.6
65.03909	0.6
67.05480	18.7
68.04978	1.7
69.03387	2.1
69.06687	0.3
69.07042	10.0
70.06567	2.7
71.04955	0.4
71.08587	2.1
72.78857	0.4
79.05461	14.5
80.04971	3.8
81.03423	0.4
81.05750	1.5
81.07027	13.7
82.06549	8.5
83.08591	5.6
84.08096	0.5
85.02869	2.6
85.10134	0.9
91.05447	11.8
93.05704	0.6
93.07011	13.8
94.06533	25.0
95.04911	2.1
95.06711	0.5
95.07316	11.9
95.08568	10.5
96.08089	7.4
97.02837	1.8
97.10127	3.3
105.07000	8.0
107.08556	5.2
108.08083	5.1
108.55145	0.4
109.10126	4.5
112.48038	0.3
119.08533	6.5
120.08023	0.5
121.10113	5.6
122.09593	3.2
123.11674	1.4
133.10088	4.1
135.10522	0.5
135.11624	3.4
136.11140	1.5
147.11600	0.7
149.13213	0.9
160.41087	0.4
161.13153	0.5
166.11552	0.4
177.36043	0.5
209.14896	0.4
219.20959	0.5
233.22563	2.0
234.22043	0.7
245.22495	3.1
250.25183	8.6
254.25034	0.7
262.25195	100.0
263.25598	1.4
272.25757	3.1
280.26300	6.9
442.31604	0.5
466.29221	0.5
504.47729	4.1
516.47565	28.2
517.47766	0.7
518.49072	4.3
534.48712	18.0
696.53687	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72416	2.0
54.98848	2.2
55.01841	2.7
55.05494	29.7
57.03421	27.8
57.07047	3.6
58.45907	2.1
60.08141	2.6
61.02906	2.6
67.05482	90.2
69.03394	2.5
69.07041	32.2
71.04955	5.9
71.08594	4.1
71.64568	2.0
72.08116	4.4
73.21679	2.2
79.05455	60.9
81.07023	100.0
83.08599	17.0
85.02907	3.2
85.06496	5.0
86.09680	27.0
91.05442	45.3
93.07010	66.4
95.04929	4.1
95.08568	71.6
96.16884	2.5
97.06463	3.6
97.10118	4.9
105.06995	54.5
107.08559	36.7
109.06488	4.3
109.10136	25.5
117.06976	10.3
119.08537	46.3
120.74666	2.6
121.10104	38.5
123.08006	4.1
123.11659	11.4
124.99942	22.1
125.07164	2.4
126.92547	2.4
129.06990	3.0
131.08514	22.8
133.10078	26.9
135.11671	12.6
143.08525	3.5
145.10085	22.0
147.11646	31.1
149.13220	5.9
157.10033	5.2
159.11644	16.0
161.13199	10.1
165.12712	5.3
169.10051	3.2
171.11606	4.4
173.13174	9.2
179.68011	2.8
183.11650	3.5
184.07271	46.2
185.13228	10.6
187.14789	3.1
195.00269	10.7
199.14812	3.5
239.16199	17.8
259.20663	2.9
261.21890	4.4
333.24097	3.0
335.25659	33.8
407.33060	3.5
425.33911	14.6
443.34964	4.2
474.92734	2.5
484.20651	2.6
499.37729	33.9
517.38672	85.5
542.35205	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	714.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80930	1.8
55.01863	14.7
55.05496	32.7
57.03421	29.1
57.07055	3.5
58.56676	1.7
59.04980	1.5
61.02898	11.8
66.99010	1.8
67.05161	2.1
67.05487	48.2
69.07033	21.1
71.04951	7.3
79.05459	30.7
81.03384	11.3
81.07027	58.3
83.01297	10.7
83.04947	15.1
83.08582	17.9
85.02869	12.6
86.09669	7.3
91.05458	22.5
93.07006	35.4
94.09597	1.6
95.04941	8.5
95.08574	34.7
97.02850	7.9
97.06490	10.3
97.10136	3.8
99.04388	1.9
99.08033	2.3
103.03872	1.7
105.06983	12.6
107.04933	7.4
107.08554	18.0
109.06486	10.7
109.10108	11.1
117.06968	9.9
119.08516	14.9
121.06454	3.1
121.10104	15.4
123.08028	9.4
123.11652	3.5
125.09615	2.2
133.10069	9.4
135.11665	14.4
137.09558	2.6
145.10110	13.1
145.55545	1.8
147.08006	2.0
163.11121	19.8
175.14743	2.0
184.07257	9.2
185.07558	1.7
209.11700	3.4
217.19397	6.1
226.04994	1.7
227.12726	2.8
235.20522	3.8
267.48212	1.8
271.09552	1.9
283.12262	3.7
283.15298	100.0
287.50409	1.8
309.24133	53.0
345.99091	1.9
508.18390	1.9
511.16443	2.1
517.35205	38.9
523.96808	1.9
543.35992	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06461	0.7
53.00285	1.0
53.03917	1.3
55.01853	1.8
55.05247	1.0
55.05492	17.9
57.03414	15.8
57.07045	1.9
57.68256	0.9
58.90761	0.8
61.02895	5.5
63.06314	0.8
64.32797	0.9
65.03904	1.3
67.05479	57.2
69.03396	1.4
69.07037	20.0
69.79501	1.0
71.04951	6.1
71.25433	0.8
79.05457	49.4
81.03371	4.8
81.07021	100.0
83.04964	7.7
83.08595	8.5
85.02866	5.6
85.06512	6.4
86.09644	2.1
91.03899	1.4
91.04906	1.5
91.05448	33.6
93.07001	47.3
95.04932	7.1
95.08565	38.5
97.02835	1.7
97.06497	9.5
97.10133	1.3
99.08044	5.9
101.05965	0.9
105.06992	39.8
107.04916	0.9
107.08553	25.0
109.06462	5.9
109.10116	13.3
111.08041	1.6
113.05958	1.0
117.06939	6.5
119.08533	36.4
121.06425	1.2
121.10094	34.3
123.08030	5.6
123.11657	28.1
124.99908	1.4
127.07494	1.7
131.08533	10.1
133.10078	11.4
135.08032	1.6
135.11632	13.8
137.09552	4.0
137.13216	1.9
139.11047	1.0
145.10098	7.3
147.11636	60.6
149.09554	1.4
149.13200	5.9
157.10088	4.2
159.11635	5.4
165.12704	19.8
173.13184	5.1
175.11131	1.2
183.13721	1.7
184.07266	5.8
189.16306	0.9
215.17915	10.9
229.14209	1.3
233.18901	12.2
267.15790	35.9
285.16858	61.6
303.00198	1.0
305.12000	1.1
307.22540	44.6
335.25668	1.5
443.31351	1.2
499.33978	5.1
517.35071	47.7
535.35675	1.3
610.39557	1.1
652.31982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31528	1.9
53.03917	3.5
54.86451	1.9
55.01855	3.2
55.05495	37.8
57.03199	2.2
57.03423	36.8
58.26702	1.9
61.02896	11.8
67.05481	79.6
67.41331	1.7
68.26930	2.1
69.03400	5.1
69.07038	14.7
71.04971	8.5
74.92847	2.0
79.05461	81.8
81.03386	79.4
81.07026	80.9
83.04945	16.4
83.08595	30.8
85.02873	40.6
86.09629	2.3
91.05441	61.9
92.08655	5.1
93.07010	66.5
95.04941	34.9
95.08572	53.3
97.02865	8.9
97.06456	7.0
97.10118	4.1
103.57244	2.2
105.06992	40.6
107.04925	11.4
107.08566	28.9
109.06482	11.6
109.10130	10.0
111.08051	10.2
112.61784	2.2
113.05944	2.7
115.05429	3.1
115.81475	2.0
117.06976	9.1
119.08543	36.7
121.10108	36.4
123.08067	3.4
123.11657	2.6
124.53599	2.0
126.94424	2.5
129.06950	17.1
131.08508	27.3
133.06407	3.2
133.10091	27.6
135.11665	9.7
137.09587	4.5
144.73320	3.0
145.10123	7.8
147.11659	17.4
149.09598	12.0
149.13182	3.9
157.10066	21.6
159.11650	9.3
163.11073	2.4
163.93886	2.1
165.36729	2.2
166.73518	2.1
173.13158	4.7
175.11147	16.1
178.17317	2.0
184.07266	9.8
193.12167	45.7
211.13219	55.2
215.17818	3.3
233.18924	8.1
267.15884	13.7
275.32553	2.2
285.16876	84.7
307.22589	62.1
353.28113	2.7
499.33896	13.0
517.35107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72039	1.1
52.79875	1.2
53.03927	2.4
55.01849	5.8
55.05494	26.2
55.18072	1.2
57.03416	28.0
57.07062	1.2
61.02895	7.2
65.03922	1.8
67.05478	64.9
67.36753	1.2
68.70239	1.1
69.03396	6.2
69.07040	16.3
71.04961	5.9
71.08607	1.6
73.02871	1.3
79.05457	53.0
81.03380	63.5
81.07021	53.1
83.04942	10.7
83.08585	17.2
85.02875	27.0
85.06484	1.7
91.04900	2.9
91.05442	68.6
93.07004	69.5
94.07355	1.4
95.04918	23.3
95.07568	1.2
95.08568	45.1
97.02847	6.2
97.06483	3.2
97.10146	2.0
99.08115	2.1
105.06974	25.3
107.04906	3.1
107.08554	23.8
109.06470	2.7
109.10117	18.7
111.04446	1.6
111.08051	8.8
117.06970	6.5
119.08533	61.1
121.06464	7.6
121.10108	21.9
123.07969	2.9
123.11671	2.9
125.09573	1.9
129.06970	6.6
131.08519	14.9
133.06454	1.9
133.10049	11.4
133.68481	1.7
135.08020	2.1
135.11617	11.1
137.09575	19.8
145.10086	6.9
147.07973	8.7
147.11607	10.2
149.09547	5.6
149.13261	2.5
157.10046	8.7
159.11626	2.8
163.11171	2.2
165.09052	15.2
173.13208	1.7
175.11185	6.8
183.10097	5.3
193.12183	25.8
211.11377	2.1
211.13225	25.0
215.17883	3.2
227.12675	1.4
233.18906	1.5
239.12668	2.1
257.13693	19.9
261.21985	2.8
267.15674	3.0
285.16830	20.3
307.22546	22.3
335.25659	31.3
407.29181	1.4
499.34302	9.3
517.35046	100.0
605.56262	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35909	0.5
55.05493	3.0
57.03401	1.8
61.02910	7.5
65.74928	0.6
65.94678	0.5
67.05478	5.3
67.44802	0.5
69.03394	3.5
69.07037	1.4
71.04967	1.0
73.02888	4.5
79.05468	4.0
81.03391	4.1
81.07035	4.6
83.04963	1.5
83.08590	0.9
85.02878	6.4
86.09700	0.7
91.03925	3.2
91.05444	5.0
92.09358	0.8
93.07017	3.4
95.04938	1.4
95.08573	1.4
97.02866	4.7
97.06563	0.7
97.10080	0.6
101.02328	1.5
105.07032	1.4
107.08592	1.3
109.10149	1.4
119.08582	3.1
121.10168	0.7
127.02248	0.6
127.03899	1.1
129.05420	2.4
131.08527	2.7
133.10107	1.4
135.11653	1.5
137.05946	1.0
140.04576	0.6
147.11676	1.3
157.10016	0.9
167.07076	0.6
181.04718	1.1
184.07307	1.4
185.04161	5.3
193.12195	1.5
194.12733	0.8
201.03711	2.7
211.13162	0.7
243.08267	4.6
251.12550	3.8
277.14011	2.6
301.08823	14.4
307.15042	0.9
315.10300	4.3
349.16147	2.8
355.13544	0.8
367.17422	1.1
371.17014	1.1
373.10986	4.0
383.16870	2.7
385.18225	6.5
387.12427	1.2
395.16702	1.5
429.17419	1.1
433.25504	2.5
441.20984	1.4
443.18848	3.5
457.20819	0.7
467.18951	0.8
469.20337	14.2
485.20267	2.7
499.21722	2.8
511.21646	1.3
527.29034	1.0
528.21338	1.1
541.22583	6.5
569.25769	1.4
583.29858	0.8
595.13812	0.7
602.05853	0.7
611.29694	4.4
612.31219	1.5
623.70996	0.6
644.17963	0.9
667.32318	0.8
695.32306	1.3
696.33112	0.8
712.32330	0.7
713.33240	100.0
714.33655	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	714.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	22.7
57.03400	23.5
61.02899	8.2
67.05483	85.4
69.07028	22.7
73.86589	3.6
79.05454	61.0
81.03381	73.5
81.07018	70.2
82.54580	3.7
83.04944	5.4
83.08594	6.4
85.02871	26.9
86.09656	4.7
91.05447	96.1
93.07009	82.9
95.04937	16.3
95.08564	65.5
97.02856	4.8
105.06997	25.8
107.08584	28.3
109.10093	24.4
117.06948	15.7
119.08537	100.0
121.10099	27.8
129.06972	5.2
131.08585	8.2
133.10043	14.4
135.11671	5.7
137.09584	39.7
145.10077	8.0
147.07990	5.9
147.11636	5.6
159.11610	5.0
165.09035	21.0
173.13281	4.2
175.14781	5.8
183.10165	6.5
184.07381	13.1
193.12213	5.1
195.11855	3.9
211.13292	5.0
239.12675	6.3
257.13641	37.1
261.22046	7.8
285.16794	6.7
307.22614	8.0
335.25748	54.6
517.35193	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.1
56.96555	8.7
61.02899	2.9
61.54521	1.0
65.58955	1.2
67.05482	2.6
69.03376	1.5
71.04968	1.3
78.02546	1.2
79.05441	2.3
81.03394	4.7
81.07021	8.0
83.08592	1.6
84.63361	1.3
85.02882	8.0
91.03927	1.9
91.05444	5.3
92.08684	2.3
93.07017	4.9
95.04927	1.6
95.08562	1.3
97.02890	4.3
99.04407	1.2
101.02415	1.5
103.27872	1.2
105.06981	4.5
107.08610	1.8
119.08559	6.2
127.03865	1.5
133.10081	1.9
145.10011	1.4
165.65190	1.2
193.12259	1.3
211.13197	1.6
225.64079	1.2
226.05579	1.5
241.11009	8.0
245.09904	1.1
259.12054	14.1
267.08963	11.6
285.09991	22.9
293.05618	2.2
303.11032	2.7
304.25378	1.5
481.53006	1.6
485.16577	8.8
518.26099	1.6
546.15210	1.8
641.30725	1.8
667.32684	1.6
695.31329	5.4
712.31610	1.7
713.31042	100.0
714.31848	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
57.03426	0.7
57.73879	0.5
58.50954	0.6
61.02917	2.5
63.84068	0.5
67.05486	3.3
69.03396	1.0
73.02908	0.5
79.05486	2.9
81.03397	3.0
81.07039	2.8
83.04951	0.7
85.02887	2.6
89.09601	0.6
91.03929	0.7
91.05445	2.7
93.07021	2.4
95.04918	0.9
97.02891	2.1
102.13321	0.6
105.07009	1.1
107.04933	1.0
109.10123	1.2
119.08581	1.0
121.06525	0.7
121.10162	0.7
124.99953	0.6
127.71383	0.6
129.52815	0.6
131.08531	0.7
145.10120	0.9
156.16479	0.6
157.95236	0.6
184.07307	1.0
193.12248	0.8
227.86522	0.6
267.08981	0.7
272.27396	0.8
285.10056	1.3
311.82175	0.6
357.71494	0.7
447.27344	1.2
467.18863	2.2
469.20328	1.3
703.47076	0.7
713.31537	100.0
714.31818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56145	1.9
53.03932	2.3
55.01850	14.4
55.05479	2.7
55.65154	2.2
57.03414	4.3
61.02881	4.3
65.03924	5.6
67.05479	8.8
69.03394	20.2
72.07307	2.0
73.02879	4.0
81.03383	5.2
83.04941	26.2
84.05267	2.7
85.02869	36.6
88.71894	2.1
91.05443	28.4
92.09322	3.0
93.03365	17.8
94.03706	2.6
95.04936	2.8
97.02847	14.0
98.97576	3.6
105.07004	2.4
107.04906	3.5
109.02855	3.8
110.15279	2.1
111.04403	45.2
112.04733	9.1
116.98589	2.7
119.04910	3.1
121.02821	9.3
123.04382	3.8
127.03770	3.2
129.05460	11.0
135.04362	14.9
137.02299	52.4
137.73827	2.4
139.03839	23.4
140.04198	5.1
147.04314	10.8
148.04657	2.7
157.04924	15.0
158.05231	4.0
161.02266	9.7
161.05937	4.7
163.03844	10.0
175.03860	2.9
175.05905	8.2
177.06491	3.5
179.03291	2.9
187.03976	3.4
189.01804	4.8
191.03354	4.6
195.02829	9.1
201.05377	2.6
203.03333	24.3
207.02887	12.4
215.03369	12.8
217.04907	5.3
221.04433	9.1
222.03271	2.2
227.03372	3.1
229.04684	2.6
233.04408	8.8
235.07576	3.3
241.04837	4.9
243.02885	3.6
245.04390	4.6
263.06921	2.9
274.06348	3.3
275.06100	3.8
284.06668	3.4
297.07401	3.6
299.05457	12.7
303.04813	9.4
307.05804	2.6
309.07471	3.8
310.04654	27.1
311.05356	84.5
312.06131	5.0
313.07004	10.1
321.07330	2.9
323.05371	72.6
323.08817	5.6
324.06110	19.5
325.06873	31.5
327.07584	2.9
329.06592	3.0
333.07516	4.9
335.05466	12.7
336.06076	11.7
337.06909	80.5
337.11011	3.0
338.07645	9.0
339.08716	10.0
341.06436	61.2
342.63367	2.5
345.07486	5.3
349.06912	48.0
350.07910	8.8
351.08560	36.2
352.05600	2.7
353.06403	62.1
355.07751	6.7
361.06927	24.3
363.08426	12.0
365.06445	64.7
367.07993	30.7
371.07394	4.6
375.08456	4.5
377.06335	39.9
379.08060	37.3
383.07373	15.3
389.06406	25.0
391.08002	18.8
395.07471	91.8
403.07849	11.9
405.09714	2.8
407.07443	100.0
409.09113	3.9
413.08612	8.9
415.07980	4.1
419.07526	22.0
421.09094	14.0
422.12985	3.2
425.08411	42.6
431.07458	18.5
433.09024	11.6
437.08487	8.7
443.09265	23.2
449.08319	42.6
461.08432	30.3
467.09818	22.3
479.09549	22.5
485.11130	2.8
497.10480	31.7
503.11478	3.0
515.11578	13.9
527.11383	3.0
533.12512	14.5
557.12469	16.3
569.12366	3.8
575.13702	18.5
587.13721	39.1
605.14777	45.7
623.15295	13.9
629.14581	28.3
641.14655	4.6
647.15680	46.9
659.15808	84.2
677.06201	3.7
677.16925	83.9
695.17773	46.4
713.18390	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	712.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36195	0.6
53.00289	1.1
53.03928	1.8
55.01849	1.6
55.05492	25.5
57.03415	34.4
57.07050	4.4
58.69630	0.7
59.50993	0.7
61.02910	5.5
65.03910	1.6
67.05479	91.2
69.03415	1.5
69.06674	1.3
69.07040	28.9
70.78313	0.7
71.01318	4.4
71.04969	6.8
72.96146	0.8
73.02881	1.2
77.03902	0.9
79.05459	74.1
81.03382	7.8
81.07021	68.4
81.60306	0.7
83.04950	12.8
83.08587	9.3
85.02872	5.2
85.06506	4.7
91.03912	1.1
91.05438	33.1
92.08698	1.1
93.07002	95.8
94.89931	0.8
95.04926	9.7
95.08566	39.8
97.02850	1.6
97.06488	15.7
97.10122	14.9
99.04435	1.0
99.08052	1.7
105.06991	17.7
107.08557	56.4
109.06481	3.3
109.10122	18.3
111.08038	1.8
117.06972	11.1
119.08527	16.5
119.09315	1.2
121.06420	1.0
121.10091	22.5
123.11644	1.6
125.09580	1.6
126.32234	0.8
130.07761	1.3
131.08482	8.7
133.10075	12.4
135.08049	1.2
135.11641	64.5
137.09598	1.8
145.10077	19.6
147.11644	4.8
149.13237	5.1
152.18988	0.8
153.12755	1.7
159.11687	4.2
161.13208	3.9
163.11104	8.5
163.14787	1.6
173.13245	4.2
175.14771	0.9
181.12157	10.4
183.13406	1.0
185.13226	0.8
187.14755	1.3
199.13164	1.2
206.50941	0.9
243.20998	1.8
253.14293	3.5
255.15802	100.0
261.22012	11.6
317.24576	1.4
335.25684	45.7
336.25854	1.7
376.37518	1.0
383.89444	0.8
400.96771	0.7
409.94949	0.8
441.33377	1.3
515.37134	80.5
523.39435	1.5
533.38263	1.3
625.59045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03925	4.3
55.01855	15.3
55.05495	17.2
57.03149	1.0
57.03417	24.6
57.07047	2.9
60.08124	0.5
61.02646	0.8
61.02904	12.8
65.03912	3.3
67.05479	71.9
69.03397	4.0
69.07040	17.9
70.07372	0.7
71.04949	3.1
73.02883	3.7
73.50657	0.6
79.05460	88.3
79.24148	0.5
81.02995	0.8
81.03391	9.5
81.07022	63.9
83.01308	10.5
83.04947	3.4
83.08592	8.7
84.44218	0.6
85.02869	12.7
85.06494	0.9
86.09665	3.4
91.03929	5.0
91.05442	100.0
93.07003	79.6
95.04916	9.0
95.08564	44.2
97.02837	8.1
97.06472	6.1
97.10127	3.1
105.04491	1.1
105.06985	20.6
107.04913	8.3
107.08556	53.7
109.06485	5.9
109.10124	18.4
111.04419	1.2
111.08041	2.9
113.75150	0.7
115.03768	0.7
115.05419	9.7
115.06197	1.0
117.06978	65.9
119.08536	16.7
121.06492	0.8
121.10091	23.2
123.08002	1.4
123.11623	5.7
124.99931	0.8
125.05928	0.9
125.09579	3.3
129.06955	1.3
130.90146	0.6
131.08522	12.1
133.06398	0.8
133.10080	11.3
135.08006	67.4
135.11627	15.1
137.09555	2.6
137.13155	1.0
143.07033	1.3
143.08516	1.5
145.06430	1.1
145.10091	12.7
147.11644	9.1
148.70737	0.7
149.13188	6.1
153.09010	2.4
159.11615	8.7
161.13152	5.9
163.07469	9.1
163.14767	3.9
168.88364	0.6
171.11668	1.3
173.13148	6.0
175.14833	1.3
177.16336	1.0
181.08548	3.2
184.07176	6.4
185.13194	1.0
187.14723	3.1
199.09544	4.7
199.14766	0.9
216.67709	0.7
243.20978	4.6
255.12163	59.1
261.22025	16.7
296.26468	0.8
299.23587	2.6
317.24628	4.2
324.93274	0.7
333.24042	0.8
335.25674	77.9
336.25943	1.0
423.28806	1.4
441.29803	0.9
497.32083	6.1
515.33453	62.0
516.33942	0.9
533.34753	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	712.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	0.9
53.03913	3.9
55.01852	13.0
55.05494	33.4
56.80138	0.5
57.03153	1.3
57.03416	31.0
57.03695	1.0
57.07035	4.1
58.37198	0.6
59.04967	4.2
61.02900	11.6
61.54466	0.6
62.95852	0.7
65.03901	1.4
67.05477	55.5
67.14754	0.7
69.03393	1.6
69.07037	14.9
69.16692	0.6
71.01308	1.3
71.04964	5.4
73.02873	2.8
79.05457	63.4
81.03378	12.9
81.07022	54.6
83.01308	13.8
83.04946	19.2
83.08585	18.8
85.02872	14.9
85.06488	3.5
89.64021	0.8
91.03909	3.7
91.05436	34.3
91.06006	1.1
92.09344	2.2
93.07002	74.5
95.04922	16.0
95.08562	34.2
97.02849	6.7
97.06477	7.2
97.10118	5.1
99.04387	3.4
99.08041	1.2
103.05408	0.9
104.02280	0.7
105.03309	0.7
105.04452	1.2
105.06990	23.9
107.04929	8.3
107.08560	34.0
109.06480	11.1
109.10116	13.8
111.04373	3.6
111.08018	3.5
112.13746	0.6
117.06970	14.2
119.08531	20.1
121.06444	4.3
121.10091	27.3
123.04301	0.8
123.08012	12.9
123.11627	3.1
125.05957	0.8
125.09590	2.8
129.05388	0.9
129.06923	5.2
130.07755	1.1
131.08517	16.7
133.10069	12.2
135.07993	4.6
135.11636	28.2
137.09534	3.1
143.08514	3.1
145.10074	27.2
147.07980	2.8
147.11653	8.5
149.09630	1.0
149.13213	7.1
151.11160	1.2
153.12671	4.0
155.08499	3.1
157.10083	1.6
159.11617	7.9
163.11110	30.3
171.11632	0.9
173.09508	4.1
173.13177	6.3
181.12119	3.6
185.13164	0.9
189.11118	0.8
191.10567	3.2
193.12181	0.7
205.19469	1.2
205.82390	0.8
209.11624	5.7
213.16335	1.2
215.17896	15.5
227.12639	8.0
231.17422	0.9
233.18886	13.2
267.15894	1.0
271.20465	2.7
283.15271	100.0
284.15585	1.1
307.22552	53.1
315.05957	0.8
356.77484	1.0
405.27887	1.3
406.04709	0.9
423.28473	3.0
439.18900	0.8
441.29886	1.4
497.32169	3.7
515.33490	39.9
533.34760	1.4
603.80859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01857	16.6
55.05498	28.9
57.03421	23.9
57.07058	2.4
61.02905	9.6
65.03917	2.8
65.75269	1.8
67.05477	62.4
69.03383	2.5
69.07039	25.1
79.05460	90.1
79.69634	2.2
81.03375	11.0
81.07027	56.6
83.01319	11.0
83.08591	10.5
85.02891	8.9
86.09683	11.4
91.05448	100.0
93.07011	73.1
95.04936	10.8
95.08569	36.2
97.02843	4.7
97.06488	3.8
97.10149	4.1
98.17801	2.5
105.07021	20.2
105.07579	2.2
107.04922	12.7
107.08559	55.4
109.06478	3.4
109.10101	16.5
111.08020	2.8
112.43378	2.5
115.05415	4.7
117.06971	63.8
119.08543	18.6
121.10091	13.8
124.99945	3.7
131.08540	12.1
133.10123	11.3
135.08009	70.1
135.11693	10.3
137.09569	2.8
145.10097	9.0
147.11647	3.6
149.13249	4.3
159.11653	4.5
163.07468	5.4
173.13190	3.2
184.07190	18.4
199.09563	5.3
209.11540	2.3
210.17151	2.1
255.12173	56.2
261.22076	15.0
266.82767	2.3
274.21149	2.2
317.11615	2.4
318.02509	2.5
335.21945	3.9
335.25693	63.0
399.00076	2.5
515.33582	44.8
522.38477	11.5
523.38647	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	712.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	3.0
53.03926	2.7
55.01849	4.5
55.05494	31.5
57.03427	24.3
57.07049	4.8
58.02754	2.1
59.15266	2.1
61.02884	3.5
61.78303	1.9
67.05155	4.4
67.05482	72.6
69.03436	3.4
69.07047	18.8
70.51458	2.4
72.13403	2.5
79.05459	84.5
81.03382	6.2
81.07025	67.7
83.04939	12.0
83.08575	18.9
85.02856	5.6
85.06538	2.5
91.05446	34.3
93.07002	100.0
95.04930	14.6
95.08563	76.9
97.02856	5.7
97.06468	4.9
99.04420	4.2
99.08038	2.6
105.07006	28.2
107.04933	17.7
107.08551	61.6
109.06486	5.9
109.10104	13.8
111.08035	3.3
117.06975	24.5
119.08523	21.9
121.06445	12.7
121.10085	39.9
123.08029	3.2
131.08524	16.1
133.10100	16.3
135.08025	10.8
135.11641	74.8
145.10086	57.3
149.13188	5.2
159.11661	4.8
163.11113	72.4
181.12111	14.6
184.07233	3.9
209.14629	2.3
215.17876	11.6
218.43813	2.5
227.12674	60.8
232.99225	3.3
233.18840	4.3
239.93221	2.8
283.15250	97.0
307.22528	75.0
515.33514	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	712.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18596	1.0
53.00272	1.2
53.03923	5.8
53.75415	0.9
54.24055	0.9
55.01860	11.7
55.05244	1.9
55.05493	36.9
57.03157	1.3
57.03419	24.8
57.07064	4.0
59.04979	4.1
59.14639	0.8
61.02904	13.5
65.03905	1.5
67.05482	68.1
67.83026	1.0
69.03409	2.7
69.07043	16.0
71.04968	4.6
72.53596	1.0
73.02879	2.5
77.54870	0.9
79.05463	83.9
81.03391	14.2
81.06548	2.2
81.07026	65.0
83.01311	17.1
83.04950	20.1
83.08594	20.7
83.89460	1.1
85.02879	13.3
85.06501	1.8
91.03906	5.7
91.04899	2.0
91.05445	41.1
93.07009	100.0
95.04928	14.9
95.08569	43.1
97.02853	7.0
97.06491	10.3
97.10110	4.4
99.04403	4.0
99.08031	2.6
105.04449	1.3
105.07000	30.5
107.04903	7.8
107.08565	36.0
109.02872	1.3
109.06483	10.3
109.10125	15.9
111.04385	1.2
111.08037	4.1
117.06991	19.7
119.08530	20.2
121.06425	4.2
121.10104	34.4
123.08023	13.3
123.11636	7.3
129.05415	1.4
129.06950	2.4
130.07709	2.2
131.08537	15.2
133.10080	14.8
135.08003	5.1
135.10667	1.8
135.11647	34.6
137.09590	1.9
138.70238	1.1
143.08551	1.6
145.10085	27.2
147.08049	2.4
147.11627	7.4
149.09619	1.4
149.13223	8.2
153.12711	2.3
155.08469	1.8
159.11615	9.1
161.13168	1.9
163.11108	23.0
173.13223	7.2
175.14682	1.0
181.12160	4.3
191.10571	1.6
200.49803	1.2
209.11662	4.1
213.16368	1.7
215.17876	16.8
216.61494	1.2
227.12735	5.7
233.18933	15.2
271.20358	2.2
283.15292	74.0
284.15561	1.4
289.21542	1.5
290.98117	1.2
307.22568	67.4
423.28928	1.8
497.32227	2.6
515.33502	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	712.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.1
59.15713	1.4
65.03920	1.8
67.05480	3.5
69.03400	2.7
82.10741	1.4
83.04942	10.5
84.46403	1.4
85.02855	2.6
91.05440	1.7
91.10472	1.4
93.03363	3.0
95.04907	12.2
100.11172	1.4
102.70113	1.4
105.03347	2.0
106.40437	1.9
107.04928	19.6
111.04407	13.8
115.05417	6.0
117.06990	13.2
119.04917	2.3
121.02834	14.5
128.06264	1.6
129.05437	7.1
131.04907	3.4
139.03850	2.9
143.04921	2.5
145.06433	10.2
145.41867	1.6
147.04367	6.8
157.04890	1.6
161.05923	3.4
165.06877	2.8
166.07671	3.6
167.08493	8.1
171.04337	2.9
171.08009	3.0
175.04094	1.7
181.06415	13.4
181.10063	10.2
181.45419	1.5
183.07980	20.6
185.09541	15.9
189.05386	11.0
190.07695	2.0
191.08452	14.2
194.07193	15.1
195.07954	34.6
197.09558	10.1
199.07448	3.4
203.08427	2.6
209.05939	28.8
209.09515	54.5
211.07481	2.6
211.11151	6.1
213.08986	32.8
218.07065	1.6
219.07959	25.1
221.09605	7.6
223.07455	45.8
225.09016	45.5
225.11145	2.8
237.09013	100.0
237.14207	2.0
239.10568	34.5
241.08554	12.3
246.14885	10.6
246.64850	2.9
247.07423	7.3
247.14955	1.6
255.10022	31.7
265.08527	31.6
269.08011	8.9
283.09485	47.5
293.07581	1.9
303.05002	6.9
311.09000	23.8
329.10049	6.2
439.13715	14.0
443.13361	2.7
457.14722	30.5
467.13165	3.6
485.14191	25.4
503.15405	13.4
659.19312	9.8
677.20013	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	711.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01860	1.6
55.05500	5.0
57.03424	5.6
57.96000	0.7
59.95180	0.8
61.02913	7.5
64.99353	0.9
65.76334	0.9
67.05491	7.6
69.03416	5.0
69.07036	1.2
71.04984	1.3
73.02904	5.6
81.03401	4.5
81.07028	8.1
83.01295	0.9
83.04971	1.7
83.08595	2.1
85.02882	9.7
87.04464	1.0
91.03927	5.7
91.05437	6.4
92.09320	1.1
93.07011	7.4
95.04937	1.9
95.08575	4.1
97.02834	6.4
99.04443	1.0
101.02377	1.4
105.07024	5.7
107.04919	1.1
107.08582	5.4
109.02880	0.9
111.04410	1.1
118.40334	0.8
119.08583	5.5
121.10128	4.2
123.04288	0.9
127.03874	1.9
127.77571	0.9
129.05452	1.8
131.08545	1.6
133.10110	1.7
135.11678	3.6
145.10100	1.5
147.04372	1.3
147.11638	3.1
150.31842	1.0
157.10144	0.9
163.11182	3.5
166.86359	0.9
185.04129	9.2
201.03714	1.8
243.08420	6.0
249.10944	2.1
259.20609	1.6
280.06619	1.0
283.15369	1.2
301.08829	17.1
315.10507	4.3
327.10379	1.8
341.12311	1.2
347.14627	2.0
351.25079	1.6
352.25690	1.0
357.15152	1.3
365.15591	1.3
369.15146	1.8
373.10907	7.0
383.16946	3.1
385.18262	8.1
429.17188	4.5
439.19186	1.4
455.18799	3.5
457.20499	2.3
467.18692	14.2
470.21140	1.0
497.19720	3.8
498.20651	1.3
511.21127	1.3
539.20990	4.8
581.29688	8.0
609.28857	1.3
610.29559	1.4
637.31653	1.1
652.38855	1.0
665.31824	1.8
710.33154	1.1
711.31708	100.0
712.31952	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17077	0.9
52.69787	0.7
54.80713	0.9
55.01859	1.2
55.05489	5.6
57.03410	4.1
59.04959	1.8
61.02916	7.8
67.05488	11.8
68.09778	0.9
69.03394	4.7
69.07030	2.2
71.04956	2.3
73.02880	6.0
77.90137	0.9
81.03403	7.7
81.07035	10.1
83.04943	5.1
83.08586	1.9
85.02869	8.3
86.09679	0.9
90.52718	0.9
90.98105	0.9
91.03918	1.4
91.05445	9.7
93.06998	8.8
95.04925	4.1
95.08569	5.0
97.02854	4.2
97.06461	1.1
97.10155	0.9
99.04402	1.2
101.02330	1.2
105.06993	7.6
107.04938	2.3
107.08587	7.3
109.02843	1.2
109.10136	3.3
111.04377	1.4
117.06937	1.6
119.08522	5.5
121.10048	3.2
125.00014	1.3
125.99834	1.1
129.06891	1.2
131.08469	3.8
133.10072	4.7
135.11667	1.9
145.10112	2.3
147.11653	1.0
149.09564	2.2
157.10124	2.0
163.11107	1.6
184.07236	1.2
193.12202	1.6
233.11330	1.1
243.08301	4.9
271.78296	1.3
283.15067	6.7
451.19165	9.9
467.18848	3.7
485.19641	1.4
495.29593	1.2
496.29120	1.6
501.22687	8.7
665.30817	2.0
711.35406	100.0
712.34601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.7
55.01847	1.0
55.05496	23.6
55.05764	0.8
55.31635	0.4
57.03410	2.2
57.06831	0.5
57.07061	9.5
65.03901	0.5
67.05119	0.5
67.05480	12.8
69.03412	0.4
69.06676	0.9
69.07043	26.5
70.83333	0.5
71.04964	0.9
71.08608	7.5
79.05468	8.2
81.03364	0.8
81.07023	36.9
83.01254	0.5
83.04933	3.9
83.08590	18.9
85.06508	1.1
85.10163	3.1
91.05451	9.4
93.07014	7.8
95.04927	1.1
95.08572	11.4
95.53752	0.5
97.06490	2.6
97.10128	11.6
97.32513	0.4
98.98406	0.9
99.08063	2.2
105.06995	15.5
107.04913	0.9
107.08553	5.9
109.06489	2.9
109.10105	0.7
109.84193	0.4
111.08093	0.6
111.11664	3.1
117.07030	0.6
119.08545	12.7
119.09340	0.5
121.10087	8.2
123.08022	2.4
123.11655	12.8
125.13146	0.4
127.07517	0.7
131.08621	0.5
137.13223	0.5
145.10094	2.1
147.10455	0.9
147.11642	24.3
163.11151	1.9
165.12706	8.1
167.86330	0.5
229.14430	0.6
237.22235	0.4
267.15802	10.7
285.16855	0.6
311.25720	2.0
521.38184	100.0
522.38721	2.6
595.46899	0.7
740.20081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49826	0.4
55.01870	0.6
55.05482	0.9
57.03410	1.1
61.02903	1.1
61.47610	0.4
67.05476	3.7
69.03413	0.9
69.07040	0.8
79.05454	2.4
81.03400	2.6
81.07028	3.1
83.04945	0.7
83.08572	0.6
85.02879	1.0
89.32872	0.5
91.05457	2.2
93.03861	0.5
93.07011	2.7
95.04951	2.2
95.08601	2.2
97.02863	0.8
97.06504	0.8
105.07005	2.0
107.04939	0.8
107.08563	2.4
109.06517	0.7
109.10130	2.2
111.04466	0.7
121.10100	0.6
125.59757	0.6
133.10126	2.4
135.11659	0.9
145.10081	0.9
147.04413	0.6
147.11594	0.6
163.11159	0.9
166.80821	0.6
181.10997	0.5
219.27837	0.5
224.83949	0.5
253.14270	1.8
253.54295	0.5
254.14828	0.8
267.15921	0.7
283.15857	0.6
285.10040	0.8
467.18942	2.3
495.28931	0.6
693.30420	0.9
711.29834	100.0
712.30048	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
55.01853	3.2
55.05494	31.5
57.03421	4.1
57.06819	0.6
57.07057	9.3
61.67218	0.4
65.03920	0.7
66.55338	0.5
67.05148	0.8
67.05482	14.2
69.03403	0.8
69.07043	27.2
71.04972	2.0
71.08595	5.4
79.05466	15.7
81.02944	0.9
81.03389	15.0
81.07027	14.1
83.04952	4.8
83.08591	24.3
85.02876	9.8
85.06514	0.6
85.10151	1.9
87.57246	0.5
91.05441	19.1
92.08752	0.8
93.07002	10.5
95.04937	8.8
95.08568	6.5
97.02843	0.8
97.06497	1.2
97.10134	15.1
98.98432	2.3
105.06996	11.6
107.04911	2.3
107.08556	3.9
109.06504	2.6
109.10122	2.6
111.08056	3.5
111.11673	2.7
115.05417	0.7
117.06963	0.8
119.08533	8.0
121.06425	0.8
121.10104	5.9
123.08045	0.8
123.11663	2.5
127.07501	0.6
129.06979	5.1
131.08522	4.7
133.06367	0.9
133.10088	5.8
135.11670	1.8
142.07687	0.7
145.10101	0.9
147.07979	1.1
147.11636	5.1
149.09583	2.1
155.01082	0.7
157.10144	4.5
175.11096	4.2
193.12195	6.4
211.13229	4.0
219.20918	0.6
237.22038	1.0
238.70296	0.4
243.50925	0.5
255.68866	0.5
267.15912	2.6
311.25751	4.0
381.48413	0.5
475.37427	0.6
503.37079	8.7
513.35785	0.6
520.36749	0.9
521.38184	100.0
522.38696	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01859	8.8
55.05495	30.1
57.03417	29.4
59.01593	1.0
59.04993	1.6
61.02899	7.5
65.03899	1.8
67.05484	61.8
68.05793	1.1
69.03394	10.8
69.07038	19.5
70.40012	1.3
71.04963	9.2
73.02877	2.2
74.89116	1.2
78.62448	1.4
79.05464	68.8
81.03386	100.0
81.07024	77.5
83.04952	35.3
83.08591	33.7
85.02878	38.6
85.06510	5.8
86.09698	8.6
87.04435	1.4
91.03936	2.6
91.05444	92.6
91.06020	3.0
92.05771	1.5
93.03369	1.6
93.07005	55.7
94.07357	2.6
95.04335	2.5
95.04931	58.9
95.08569	28.7
97.02858	13.5
97.06494	14.3
97.10131	7.8
99.04446	2.5
99.08046	2.7
103.05451	1.7
105.04464	1.4
105.06995	62.8
107.04924	20.5
107.08558	26.3
109.02839	1.5
109.06480	18.0
109.10107	10.8
111.04387	7.6
111.08061	18.9
113.05962	6.1
115.05397	4.6
116.06213	1.4
117.06962	6.0
119.04917	1.7
119.08530	49.3
121.06462	8.3
121.10085	26.6
123.04441	1.2
123.07197	1.4
123.07961	8.9
123.11644	7.3
124.99990	2.4
125.05928	1.9
125.09554	5.3
127.07537	2.9
128.06207	4.7
129.05493	1.3
129.06958	31.9
131.08527	33.1
133.06462	10.4
133.10095	38.1
135.04443	1.5
135.08015	7.5
135.11623	5.0
137.05925	11.0
137.09587	5.6
138.06300	2.8
142.07750	8.2
143.08524	1.3
145.06438	2.2
145.10092	7.5
147.04367	4.9
147.08028	6.5
147.11649	42.4
149.09566	19.6
151.07515	6.9
151.11134	7.3
152.07854	1.6
155.08498	2.9
157.10068	32.2
163.03842	5.7
163.11127	4.7
164.07832	1.2
165.12685	10.4
175.11139	30.8
177.09053	1.9
184.07281	14.3
189.09001	2.5
193.12172	55.8
195.11584	1.4
196.10497	1.5
211.13210	48.9
212.13246	1.3
219.09946	1.7
249.14667	1.9
267.15805	79.4
285.09952	2.1
285.16843	66.6
288.12912	1.9
327.68439	1.4
332.15579	1.7
367.22330	2.3
385.23611	5.2
403.24460	1.6
443.20529	1.2
445.25830	1.3
459.27222	41.2
477.28311	69.8
494.28232	1.7
495.29352	58.1
496.29352	1.3
621.32184	1.9
639.33484	4.7
711.29541	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	710.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44865	0.1
50.98129	0.1
55.05493	1.2
56.05024	0.5
56.75211	0.1
57.03419	1.0
58.06592	0.2
60.08142	7.6
61.02912	0.2
62.06213	0.1
64.32614	0.1
67.05480	2.7
69.03395	0.6
69.07037	0.9
71.04944	0.2
71.07350	3.5
79.05466	2.2
81.03390	3.5
81.07018	2.6
83.04948	1.1
83.08582	1.1
85.02866	1.7
85.06499	0.2
86.09676	42.7
87.04396	0.1
87.10014	0.2
91.05448	3.3
93.03358	0.2
93.07014	2.3
94.07329	0.2
95.04945	1.7
95.08566	1.5
97.02831	0.3
97.06490	0.6
97.10131	0.3
98.98421	3.1
104.10708	3.2
105.06982	2.2
107.04922	0.8
107.08562	1.1
108.05299	0.1
109.02898	0.1
109.06477	0.3
109.10122	0.5
111.04404	0.6
111.08035	0.6
117.06985	0.3
119.04840	0.2
119.08553	1.6
121.10095	1.1
123.08057	0.2
123.11640	0.3
124.99957	30.2
129.06987	0.9
131.08553	1.2
133.06477	0.2
133.10091	1.2
135.11638	0.3
137.02335	0.2
137.05922	0.9
139.03792	0.2
143.01013	0.4
145.10062	0.4
146.10384	0.2
147.04385	0.6
147.11644	1.2
149.09587	0.6
149.66991	0.2
151.07446	0.2
151.11169	0.2
155.08484	0.3
157.10085	0.9
158.10588	0.2
163.03830	0.3
163.11145	0.6
164.11421	0.2
165.12648	0.3
175.11143	0.8
175.45958	0.1
184.07278	100.0
185.07587	0.6
193.12169	1.7
194.12517	0.2
194.33183	0.2
211.13243	1.5
219.10008	0.2
220.10298	0.2
265.14291	0.2
267.15894	2.0
268.15997	0.2
273.05969	0.2
283.15292	0.2
285.16821	1.7
286.17291	0.2
302.16785	0.3
385.23450	0.2
459.27319	1.6
476.27057	0.2
477.28320	2.1
494.27731	0.4
495.29373	1.8
524.32330	0.2
660.34851	15.9
661.34277	0.6
711.29413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88282	0.5
53.35182	0.4
55.05485	5.3
56.79356	0.5
57.03403	0.7
65.03915	8.7
67.05477	13.2
68.99767	1.1
69.03407	11.1
83.04951	60.0
85.02869	20.5
87.04444	2.5
89.03913	0.6
91.05457	2.3
92.09267	1.1
93.03367	34.1
95.04899	4.7
96.98463	0.5
97.02815	0.8
99.00783	6.0
107.04934	4.3
109.02853	1.0
111.04407	100.0
115.03883	3.3
115.43383	0.7
117.01817	1.4
119.04881	5.2
121.02833	19.9
123.04345	0.7
129.05435	42.8
135.04335	5.5
139.03857	44.9
145.02789	4.2
147.04344	4.1
147.06497	0.9
157.04912	40.2
159.04436	0.9
163.03835	16.1
164.04189	3.1
165.06984	1.3
175.05968	33.7
183.08043	3.6
207.08018	5.4
211.07620	2.3
221.06120	0.7
229.08566	5.4
235.07471	9.5
239.06914	1.2
253.08418	5.7
263.06924	19.0
263.09641	0.9
267.06299	1.1
273.05948	24.7
281.07986	15.3
291.06503	4.9
309.07455	10.6
325.06357	0.7
327.08344	1.4
363.62411	0.7
369.17148	0.6
447.11197	3.3
483.12683	8.5
501.13617	4.7
504.61508	0.6
506.83780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	12.9
67.05476	15.8
69.03400	12.9
83.04951	68.2
85.02870	23.1
91.05447	5.9
93.03362	27.4
95.04940	9.2
99.00768	5.8
106.45683	2.6
107.04923	4.6
111.04406	100.0
117.03315	3.0
119.04884	21.7
121.02820	27.6
121.15574	2.4
122.05358	2.3
129.05440	39.1
135.04369	17.0
139.03862	50.6
145.02788	4.8
147.04367	73.0
157.04895	39.8
161.02782	2.9
163.03835	50.1
164.04161	2.9
175.05928	36.6
183.07977	3.0
207.08064	5.6
235.07414	15.7
253.08200	3.4
263.07019	30.3
273.05927	23.5
281.08005	19.4
291.06476	9.1
309.07480	13.5
325.06064	2.4
377.09409	3.3
447.11133	15.0
483.12711	14.5
501.13727	3.3
540.13763	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	709.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	4.0
57.03408	1.4
61.02900	0.8
63.16283	0.6
63.79940	0.6
65.66119	0.6
67.05477	7.1
67.54999	0.6
69.03390	0.6
69.07028	2.6
69.79050	0.6
70.32506	0.7
71.04955	1.2
71.41026	0.6
73.10423	0.5
79.05468	6.9
81.03387	7.8
81.07027	10.8
82.07352	0.8
83.04949	1.4
83.08600	5.0
85.02879	3.1
85.06509	0.7
91.05449	7.4
92.62714	0.6
93.07007	4.5
95.04927	3.9
95.08556	3.0
97.02829	0.8
97.06465	1.0
97.10165	0.7
105.06998	3.2
107.04923	1.0
107.08575	4.0
109.06475	0.9
109.10140	2.3
111.08015	1.0
117.06969	0.8
119.08540	3.1
121.10035	2.1
123.04333	0.8
123.11646	0.8
129.06923	0.7
131.08528	1.0
133.10103	3.0
135.11636	1.1
147.11620	1.5
157.10098	1.1
163.03818	1.1
165.09039	0.7
171.11511	0.6
176.08788	0.8
193.12228	2.8
194.12663	0.7
195.13759	0.8
211.13258	3.9
223.69919	0.6
267.15811	2.9
268.16357	0.8
269.17554	1.1
283.15259	1.1
285.16736	1.1
295.05728	0.7
307.77264	0.6
409.60120	0.7
435.27216	1.3
453.28232	1.2
454.28586	1.1
461.28790	3.6
462.29071	1.1
479.29285	0.9
480.30487	1.4
493.27377	1.0
511.32959	2.5
512.33136	1.4
595.40356	0.8
709.28009	100.0
710.28558	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	709.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
55.01847	0.4
55.05479	0.8
57.03417	0.3
61.86380	0.1
63.02359	0.2
65.03909	1.7
67.05475	3.0
68.99748	0.3
69.03404	2.2
79.05453	1.1
80.83128	0.2
83.04952	10.8
85.02882	3.3
87.04414	0.2
89.03884	5.7
91.05434	0.2
92.08656	0.4
93.03365	6.7
95.04940	1.8
96.16031	0.2
99.00770	1.4
107.04914	2.9
108.23431	0.2
109.02850	0.2
111.04406	14.8
115.03867	0.3
117.02530	0.4
117.03336	9.2
121.02830	2.6
123.04356	1.5
129.05428	5.6
129.06310	0.3
135.04367	22.5
137.02277	0.7
139.02821	0.3
139.03860	6.8
145.02802	16.1
147.04359	0.3
148.81149	0.1
151.93095	0.2
153.06961	0.2
157.04910	4.0
160.05128	0.2
163.03844	100.0
164.04170	0.8
175.05946	4.0
177.06892	0.6
181.04971	0.2
181.06419	1.1
187.03841	0.7
195.07970	0.2
199.07489	0.3
203.03339	0.3
205.06421	3.2
221.05919	2.7
222.06279	1.7
223.07565	3.6
224.07724	0.6
227.07031	0.3
231.06331	0.2
233.05914	2.4
237.05370	0.2
245.07977	0.3
249.05357	1.9
250.05714	1.8
251.06949	6.6
252.07182	0.8
253.05060	0.2
255.06477	0.4
261.05365	0.9
267.06558	0.3
268.06696	0.2
269.08020	4.6
270.08246	0.4
273.06006	2.3
277.04919	0.2
279.06400	8.7
280.07104	0.2
283.05923	0.8
285.07581	0.3
286.07840	0.2
289.04755	0.3
295.02881	0.3
295.05920	5.7
296.06219	4.9
297.07376	7.2
307.05914	2.5
313.06946	0.3
314.07474	0.4
319.07938	0.2
324.05740	0.3
325.06921	4.9
337.09073	0.8
343.07910	1.3
355.10159	1.0
447.11182	2.2
487.91962	0.2
499.12186	5.2
517.12756	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	708.51
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	51.9
57.94504	3.4
67.73993	3.3
77.36620	3.5
92.09272	8.1
120.03033	3.7
208.79408	4.4
251.04724	5.7
278.31763	4.0
327.07736	100.0
383.13989	46.8
432.55975	4.4
439.20190	99.2
495.26508	77.1
551.32410	19.1
607.38843	48.4
626.93970	4.0
663.44965	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.1
55.05493	4.5
57.03411	1.4
65.03914	13.0
67.05480	21.3
68.99761	1.7
69.03408	13.7
71.01319	0.7
81.03368	0.7
83.04951	74.7
84.05286	0.7
85.02878	26.0
86.64806	0.6
87.04441	1.1
93.03367	38.4
95.04935	8.3
99.00779	8.9
101.05944	1.0
107.04937	6.1
109.02850	0.9
111.04408	100.0
115.03890	3.8
117.01815	3.1
117.03322	1.2
118.04482	0.7
119.04872	3.2
121.02830	28.0
122.03132	1.3
123.04388	9.2
129.05432	45.7
131.04866	1.6
135.04359	10.5
137.02289	10.6
138.02670	1.2
139.03857	50.9
140.04189	0.8
141.60185	0.6
144.05701	1.1
145.02777	2.7
147.04359	14.8
148.04704	1.1
153.06947	1.1
155.14296	0.9
157.04919	37.7
159.04317	3.0
160.05206	0.9
161.05841	1.1
163.03835	21.5
175.03830	3.9
175.05949	29.9
175.07399	1.4
177.05432	3.0
177.06972	3.3
179.03287	0.8
179.08434	2.8
181.06393	5.0
187.03877	6.2
189.06886	1.5
193.71307	0.7
195.07982	4.4
199.07515	2.4
203.03348	5.4
205.06418	23.7
206.06915	2.9
207.07957	13.7
208.08299	3.7
209.05997	1.0
217.06560	0.8
218.06630	0.8
221.05920	3.0
222.06348	0.9
223.07532	15.0
224.07838	1.3
227.06937	1.3
231.02791	10.8
232.03090	3.3
233.05899	22.4
234.06271	5.2
235.07425	19.1
236.07716	5.1
237.05412	1.2
239.06868	1.0
241.08481	0.8
245.07993	3.3
249.05470	0.7
250.05902	1.6
251.06943	39.0
252.07291	3.3
253.08553	11.2
254.08748	1.2
255.06461	4.2
261.05334	12.4
262.05698	3.2
263.06964	8.2
264.07297	3.8
269.07983	20.3
270.08478	1.3
273.05923	20.9
279.06424	82.9
280.06799	15.7
281.07922	9.1
282.08289	3.3
283.05908	2.8
289.04938	3.4
291.06912	1.0
295.05945	4.3
296.06241	3.1
297.07477	41.9
298.07806	1.7
307.05945	18.5
308.06393	2.6
309.07428	1.0
309.88785	0.7
324.05704	0.8
325.06940	43.6
325.10803	1.4
326.07297	10.9
343.07974	6.4
447.11188	5.3
447.72571	0.7
471.12808	1.3
472.12842	1.4
483.12598	1.1
499.12216	17.2
500.12897	1.1
517.13196	1.7
542.24707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59238	1.3
53.03928	1.9
55.01846	2.0
55.05239	1.2
55.05491	12.1
57.03422	21.3
57.07032	2.1
66.12189	1.3
67.05485	42.8
69.03403	3.5
69.07041	16.8
71.04953	3.6
72.27026	1.5
76.54917	1.6
79.05461	31.7
80.69489	1.4
81.03386	78.6
81.07023	60.7
81.80538	1.4
83.04940	12.6
83.08598	22.9
85.02898	2.9
85.06501	1.8
91.05447	21.8
93.07007	46.9
95.04937	23.9
95.08557	14.3
97.02850	2.8
97.06477	8.5
105.06993	20.8
107.04916	3.8
107.08553	23.2
109.06495	2.5
109.10108	6.3
111.04398	2.2
111.08036	10.8
117.06953	5.8
119.08527	13.3
121.06453	2.3
121.10101	15.7
129.06941	7.9
131.08528	15.3
133.10080	12.9
135.11639	3.4
142.07794	2.2
146.31374	2.0
147.07950	3.0
147.11624	3.6
149.09583	3.1
149.13243	18.3
157.10080	11.3
159.11632	8.2
175.11073	6.4
193.12148	21.5
195.13760	2.4
211.13127	1.7
221.05902	2.1
267.15796	45.0
269.17374	36.8
279.06235	2.8
295.05966	6.0
324.05804	3.8
435.27335	2.1
443.27490	2.3
461.28827	100.0
504.27185	1.8
708.31775	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	708.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55970	0.2
53.00297	0.4
55.01841	1.6
55.05492	8.4
55.83652	0.2
56.05023	0.3
57.03418	0.7
57.07056	2.3
58.06554	0.2
59.20413	0.2
60.08141	8.3
60.30971	0.3
67.05476	3.1
69.07046	8.2
71.07339	3.9
71.08582	1.5
79.05465	3.4
81.03377	1.5
81.07026	3.9
83.01299	1.2
83.04959	2.0
83.08587	7.0
85.10097	0.4
86.09673	45.4
91.05451	2.7
92.09298	0.3
92.95334	0.3
93.07008	3.4
95.04916	0.4
95.08556	1.8
97.06513	0.4
97.10119	4.0
98.98411	3.8
99.07963	0.4
104.10726	3.2
105.06993	1.6
107.04936	1.2
107.08565	1.7
109.06488	0.6
109.10089	0.4
111.04398	0.3
111.11668	0.5
115.59683	0.3
117.06978	1.1
119.08527	1.6
121.06434	0.3
121.10103	0.6
123.08000	0.7
124.99954	31.9
135.11623	1.7
143.01018	0.5
145.10089	1.3
163.11162	2.3
184.07271	100.0
207.19574	0.3
209.11642	0.4
211.18791	0.4
232.66400	0.3
236.35233	0.3
283.15338	0.3
320.14066	0.3
336.29181	0.3
519.36621	28.9
520.36780	0.6
676.45007	0.6
698.68286	0.3
708.47858	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	708.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.4
53.03922	0.9
54.34283	0.3
55.01857	5.3
55.05497	31.5
57.03420	3.2
57.06791	0.4
57.07059	12.0
59.04978	0.8
60.08145	0.4
67.05482	7.4
69.07043	25.1
69.74161	0.3
71.01316	0.3
71.04967	2.0
71.08604	6.1
78.26643	0.3
78.58264	0.3
79.05460	12.2
81.03384	4.9
81.07021	9.3
83.01322	5.2
83.04972	4.7
83.08591	23.2
85.02885	1.5
85.10156	2.0
86.09673	5.2
86.55959	0.4
91.05448	9.0
93.07010	14.6
95.04923	4.0
95.08573	4.9
97.02865	0.6
97.06501	2.4
97.10131	14.8
98.98434	2.0
99.04407	0.7
99.08056	0.5
105.06997	5.4
107.04916	4.2
107.08555	7.1
109.06473	3.7
109.10145	1.6
111.04402	0.8
111.08069	0.7
111.11684	3.6
117.06970	3.6
117.95478	0.3
119.08563	5.1
119.64351	0.3
121.06464	2.0
121.10100	4.2
123.08051	4.0
124.99177	0.4
124.99943	3.4
125.05917	0.4
125.09602	0.4
129.07011	0.6
130.07765	0.5
131.08516	1.6
133.10043	0.7
135.08012	0.8
135.11638	5.4
143.81186	0.4
145.10071	6.1
147.07986	0.5
153.12814	0.7
155.00983	0.4
155.08475	0.7
163.11131	9.9
173.09537	0.8
181.12257	0.9
184.07281	10.6
191.10625	0.7
209.11702	1.4
219.65161	0.4
227.12799	0.5
249.19919	0.3
311.25833	1.6
519.36621	100.0
520.37134	2.5
692.45245	0.4
708.47949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	1.4
53.03930	2.7
55.01856	19.5
55.05246	2.0
55.05494	42.1
56.51979	1.0
56.96555	1.2
57.03151	1.7
57.03416	37.1
57.07042	1.9
57.27644	1.0
59.04972	5.2
60.36229	1.0
61.02907	10.1
65.03925	1.3
65.47659	1.1
67.05479	47.2
67.05817	2.5
69.03407	10.0
69.07043	17.9
71.01306	2.3
71.04958	10.8
73.02892	5.3
79.05007	2.3
79.05459	63.1
81.03387	81.9
81.07025	60.2
83.01302	7.3
83.04949	36.0
83.08585	40.0
85.02872	38.3
85.06503	3.1
86.09659	1.4
91.03927	2.1
91.05445	59.5
91.06020	2.5
93.07004	49.1
95.04926	44.5
95.05531	1.8
95.08577	27.3
97.02867	13.5
97.06490	14.0
97.10128	7.6
99.04418	4.7
99.08075	1.7
103.05396	1.5
105.06992	50.6
107.04922	23.9
107.08556	24.9
109.06478	15.1
109.10113	9.3
111.04449	9.7
111.08052	12.6
113.05978	2.2
114.48246	1.2
115.05386	1.5
116.04704	1.7
117.06995	11.3
119.08533	38.1
121.06451	6.9
121.10093	23.3
123.04333	2.1
123.08051	10.5
123.11642	3.1
125.05923	1.8
125.09592	8.0
127.03852	1.5
129.05435	9.4
129.06943	17.8
130.07863	1.5
131.08524	23.6
133.06479	2.3
133.10068	24.2
135.07101	1.4
135.08017	5.7
135.11636	19.1
137.05959	1.7
137.09596	5.7
142.07718	5.1
145.06435	1.4
145.10095	22.8
147.07990	6.6
147.11633	24.3
149.09569	11.3
153.12706	6.5
155.08557	2.2
157.08626	2.9
157.10083	19.8
163.03835	2.1
163.11108	29.4
165.12686	2.7
169.12898	1.4
171.10112	1.4
173.09608	5.8
173.11679	1.7
175.11078	15.7
181.12123	4.7
184.07275	2.6
191.10672	7.1
193.12170	39.1
199.13174	1.9
205.06532	1.5
209.11655	9.4
211.13220	47.3
218.63390	1.2
221.05791	2.4
222.06097	1.4
227.12787	10.5
249.05470	1.8
255.15970	1.5
265.14319	1.7
267.15781	29.5
279.06519	2.0
283.15286	49.3
284.15701	5.3
285.16849	38.3
295.05988	5.4
296.06268	7.6
301.16354	12.7
323.05356	6.6
324.05670	7.3
439.26633	8.1
457.25549	2.7
475.26712	19.3
492.25955	1.3
493.27759	100.0
509.26926	1.6
510.27203	1.7
511.21701	1.9
511.28708	23.8
531.60822	1.5
704.65179	1.6
707.37292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41374	1.2
53.03930	3.1
55.01849	11.0
55.05491	26.5
57.03418	32.3
57.07041	1.9
59.04979	2.7
61.02898	2.0
65.03931	1.9
67.05476	36.3
69.03400	8.6
69.07041	11.3
69.07361	1.2
71.01324	1.5
71.04960	8.8
79.05459	48.8
80.30658	1.3
81.03381	80.8
81.07019	41.0
83.01307	6.9
83.04944	22.3
83.08590	30.5
85.02879	16.6
85.06509	2.9
86.09673	9.3
86.13923	1.4
91.05442	37.1
93.07001	47.0
95.04922	34.0
95.08562	21.3
95.12393	1.3
97.02852	9.0
97.06481	11.8
97.10107	11.2
99.04377	2.0
105.06994	30.1
107.04918	17.8
107.08541	22.2
109.02854	2.6
109.06477	13.6
109.10117	11.1
111.04404	8.2
111.08042	5.4
112.40610	1.3
115.05387	1.8
117.06282	1.5
117.06954	13.1
119.08544	24.7
121.06438	7.6
121.10085	24.4
123.04395	2.1
123.08021	10.9
124.99967	5.1
125.05908	2.1
125.09576	7.4
127.03806	1.9
129.06975	13.5
131.04880	2.4
131.08495	16.9
133.06425	5.7
133.10062	13.9
135.04373	1.5
135.07976	5.3
135.11629	13.8
137.05867	5.8
137.09627	1.6
139.11110	2.2
143.08466	1.7
145.06418	1.6
145.10068	20.6
146.10387	1.8
147.04327	7.3
147.08000	8.4
147.11610	12.6
149.09538	9.9
153.05293	1.7
153.12723	3.3
157.10078	13.5
161.05940	5.5
163.03865	7.1
163.11093	29.7
165.12701	2.9
173.09532	5.8
175.11067	10.5
176.06755	1.4
181.12160	3.2
184.07281	22.7
189.09059	1.6
191.10690	3.1
193.12180	28.7
209.11668	7.7
211.13199	14.8
221.06110	1.5
227.12671	8.2
231.13676	1.9
249.05411	3.3
258.11093	1.5
265.14120	1.6
267.15787	32.2
283.15283	31.8
285.16882	12.0
289.14102	1.9
295.05878	5.9
296.06430	2.3
301.16370	7.3
315.26572	1.4
323.05444	8.1
324.05652	6.2
365.20914	1.9
383.21988	14.2
401.23093	7.0
419.24493	1.8
457.25769	21.4
475.26700	100.0
493.27853	40.9
511.28781	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	708.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72277	0.3
53.03920	0.8
55.01841	2.4
55.05487	5.8
57.03415	5.0
59.04963	0.8
60.08139	8.8
61.02892	1.5
63.81752	0.3
65.03894	0.6
67.05476	7.5
69.03394	2.1
69.07040	3.7
71.04935	0.9
71.07351	3.9
73.02864	0.7
75.49767	0.4
78.41035	0.4
79.05456	11.2
81.03382	13.6
81.07027	12.4
82.07342	0.5
83.01289	2.2
83.04949	6.6
83.08580	5.3
85.02874	4.4
85.06527	0.4
85.76370	0.4
86.09672	45.0
89.05997	0.4
91.03961	0.4
91.05441	11.4
93.07005	11.6
95.04921	7.9
95.08567	6.2
97.02863	3.6
97.06477	2.7
97.10107	1.8
98.98438	3.8
99.04400	0.7
99.08059	0.5
104.10689	2.7
105.07002	8.2
107.04930	4.1
107.08546	6.5
108.08863	0.7
109.06473	2.5
109.10098	2.8
111.04398	2.5
111.08019	1.8
113.05897	0.7
115.05396	0.4
117.06949	2.5
118.25706	0.4
119.08539	7.4
120.37516	0.4
121.06411	2.4
121.10078	4.3
123.04348	0.6
123.08012	1.9
123.11645	2.4
124.99954	30.6
125.05920	0.6
127.68114	0.5
129.06955	3.5
131.04913	0.6
131.08522	4.0
132.28439	0.4
133.06477	0.5
133.10098	5.1
135.04341	0.5
135.08008	1.0
135.11623	4.0
136.11969	0.5
137.05920	5.1
137.09612	0.7
138.06276	0.9
139.03859	0.6
142.07710	1.0
143.08495	0.6
145.10056	3.6
147.07988	0.8
147.11652	2.9
149.09547	2.5
151.11142	0.7
152.11403	0.4
153.12701	0.6
157.10045	2.3
161.09560	0.4
163.03821	0.7
163.11110	6.5
164.11501	0.6
165.12732	0.8
173.09534	1.7
175.07433	3.1
175.11116	3.1
176.07755	1.6
181.12154	0.8
184.07269	100.0
185.17729	0.4
187.07462	1.0
188.07846	0.5
191.10518	0.6
193.12157	7.5
209.11632	2.4
211.13205	6.2
221.05864	0.5
222.06213	0.6
227.12558	0.6
230.12686	0.4
249.05574	0.6
250.05760	0.6
267.15753	5.3
277.04779	0.6
283.15295	9.2
284.15576	0.7
285.16873	5.0
295.05807	1.7
296.06027	0.7
323.05356	2.0
324.05771	2.3
401.22552	0.5
475.26776	5.3
493.27795	20.1
511.28613	0.6
658.33295	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	708.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83782	0.9
52.11338	0.9
55.01850	6.5
57.03414	2.1
61.02897	5.8
65.03902	1.1
68.99799	1.0
69.03082	1.0
69.03390	8.4
70.06577	1.0
71.01315	0.9
73.02884	2.2
81.03391	6.9
83.04951	4.3
85.02874	15.7
91.05448	1.5
93.03322	1.7
93.18930	1.3
95.01287	12.2
97.02855	12.6
101.02355	3.7
103.05447	4.3
105.06962	1.0
107.04926	1.8
109.02837	1.5
111.04373	4.0
115.05431	2.2
117.06945	1.1
119.04900	4.2
121.02831	6.6
123.04371	2.3
127.03874	4.0
129.07001	6.0
131.04866	11.9
133.64653	1.0
135.04364	12.2
137.02249	7.4
139.03859	1.6
139.05397	4.6
143.04872	3.9
145.02823	4.7
145.06439	5.9
147.04358	100.0
149.05930	9.1
152.06294	1.1
155.04858	14.1
155.05977	1.4
157.02789	2.0
157.06448	8.5
159.04346	7.2
160.05086	1.8
161.03514	1.2
161.05957	13.0
163.03835	37.4
163.07410	1.1
165.01747	3.4
165.05499	1.4
165.06895	1.9
167.04820	3.8
169.06487	1.1
171.04337	6.0
173.02304	8.3
173.05908	48.9
174.03078	4.4
175.03836	47.3
175.07436	2.2
177.01776	18.8
177.05429	18.1
177.06850	2.1
179.03314	0.9
181.06398	1.5
183.04353	11.4
185.02408	1.3
185.05914	19.8
187.03780	25.3
187.07449	1.8
189.01813	1.5
189.05394	21.6
191.03326	47.5
193.04828	1.8
193.06464	2.2
197.05920	5.3
199.03839	5.5
201.01758	56.0
201.05399	70.7
203.03331	35.0
203.06924	12.3
204.33740	1.0
205.04874	9.8
205.06483	5.3
207.02824	5.0
207.08157	1.5
211.03764	1.9
213.05417	18.7
215.03300	27.8
215.06943	4.8
217.04895	12.5
219.02844	29.2
219.06392	1.2
221.05907	17.2
222.06320	6.9
223.07474	4.3
225.05487	1.1
227.03290	5.8
227.06894	1.1
229.04892	40.3
231.02966	13.8
231.06430	66.5
232.06862	1.2
233.04315	79.7
235.07443	4.8
239.06950	1.4
241.01157	1.4
241.04755	2.4
243.02849	5.1
243.06212	1.6
245.04387	16.5
247.02304	5.5
247.05949	4.0
249.05386	17.4
250.05811	8.3
251.06961	7.0
253.04803	1.8
253.08528	1.9
255.02887	1.8
255.06404	1.6
257.04337	18.3
259.02319	12.0
259.05875	4.7
267.06366	5.2
269.08014	1.2
271.05981	1.4
273.03949	2.1
275.02319	2.0
275.05392	34.7
277.04852	9.7
278.05298	4.9
279.06403	13.9
281.04410	1.4
285.03885	2.2
293.06430	21.2
295.06107	31.1
296.06259	16.9
297.07492	2.5
299.05426	1.2
301.03290	5.3
301.06757	1.1
303.04785	3.6
309.06201	1.2
311.05524	1.4
317.06403	1.3
319.04367	12.1
323.05377	25.8
324.05661	14.2
325.06931	4.3
337.05368	22.9
341.06299	6.5
342.06683	1.4
347.07452	2.2
389.08563	1.2
419.09406	2.0
425.03656	1.1
437.10727	1.7
457.09415	1.3
463.08505	2.1
468.08966	1.1
710.17749	1.4
720.99414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.3
53.03928	10.8
55.01849	6.3
55.05492	38.6
55.05761	1.2
56.86559	0.8
57.03146	1.4
57.03414	25.5
57.07038	1.5
59.04982	1.0
65.03912	1.8
67.05476	80.1
67.11555	0.7
69.03028	1.2
69.03405	24.6
69.07039	20.8
71.04953	8.2
73.02900	0.8
79.05457	67.7
81.03381	100.0
81.07020	81.3
83.04946	33.2
83.08586	27.0
85.02872	25.1
85.06502	2.1
86.09680	3.7
86.60967	1.0
87.04446	1.5
91.05441	52.4
92.09437	2.0
93.07002	70.3
95.04925	34.5
95.08568	46.9
97.02855	18.6
97.06486	8.8
97.10120	8.1
99.04414	2.0
99.08036	1.3
103.05401	1.4
105.04495	1.4
105.06992	37.2
107.04923	9.2
107.08548	32.2
109.02827	8.7
109.06496	8.1
109.10123	17.3
111.04397	10.6
111.08042	9.3
113.05952	1.3
113.26788	0.9
115.05468	1.5
117.06991	12.3
119.08540	32.4
121.06453	4.6
121.10094	27.6
123.08045	2.0
123.11659	5.0
124.99982	2.0
125.09574	2.2
127.03867	5.6
128.06219	1.1
129.05458	2.2
129.06941	13.2
131.08508	26.0
133.06441	4.5
133.10074	17.1
135.08005	1.7
135.11636	11.9
137.09514	1.2
142.07747	3.7
143.08525	3.4
145.10078	12.1
147.07973	4.8
147.11633	20.7
149.09607	8.2
149.13208	5.3
151.11176	0.9
151.14699	1.2
153.12685	1.8
155.08502	1.7
157.10066	15.4
159.11684	6.5
161.13184	2.0
163.11133	3.9
165.12691	5.3
171.11630	2.0
173.13191	3.9
175.11122	12.4
175.14668	1.7
181.12120	3.4
183.11674	1.6
184.07242	6.4
185.13118	1.1
187.14751	2.0
191.10625	1.5
193.12161	34.9
201.12674	1.0
209.11450	1.0
211.13206	36.6
227.12718	3.7
229.14134	1.6
243.21077	1.1
249.14603	1.4
261.22067	6.2
267.15903	6.6
285.16913	12.9
303.23013	1.0
317.24600	1.3
335.25668	58.4
355.17120	3.2
369.24139	4.1
387.24969	1.0
429.21078	10.9
443.27979	1.3
461.28586	1.3
527.37286	7.5
535.36353	1.3
545.38135	64.9
546.38629	1.3
587.38214	1.3
653.39972	3.5
671.40887	4.2
689.42407	21.1
707.41882	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	9.6
55.01841	7.3
55.05247	1.9
55.05492	40.9
57.03189	1.3
57.03415	19.7
57.07055	2.2
59.04947	1.1
61.02894	2.4
65.03905	2.2
66.04454	1.1
67.05478	77.7
69.03408	19.6
69.07038	23.8
69.93362	1.1
70.95839	1.3
71.04944	7.9
73.02884	2.0
73.22063	1.1
75.80357	1.0
79.05010	2.2
79.05457	60.2
81.03380	100.0
81.07018	69.6
82.03702	1.4
83.04941	25.4
83.08582	25.7
85.02863	27.9
85.06493	1.7
91.04897	2.3
91.05434	52.2
92.09346	3.1
93.06429	2.3
93.06998	61.3
95.04919	34.1
95.08561	50.7
97.02842	17.1
97.06469	6.9
97.10123	8.1
99.04385	4.9
99.08026	1.7
100.99065	1.3
103.05403	1.3
105.06987	38.4
106.07291	1.3
107.04907	9.8
107.08543	26.4
109.02835	13.0
109.06454	6.3
109.10114	17.1
111.04394	11.2
111.08061	11.2
113.05946	1.9
117.06979	10.6
119.07729	2.0
119.08530	33.2
121.06454	3.0
121.10099	29.2
123.04400	2.6
123.07973	2.3
123.11591	3.8
125.09554	4.2
127.03874	5.7
128.06145	1.7
129.05423	2.2
129.06947	15.5
131.08521	31.2
133.06436	5.3
133.10092	17.1
135.07919	2.5
135.11627	14.4
137.09540	1.6
141.06892	1.8
142.07722	5.3
143.08469	7.3
145.06384	2.1
145.10054	16.1
147.04292	1.4
147.08023	2.7
147.11641	24.6
149.09570	6.3
149.13223	2.7
153.12749	4.4
155.08492	2.4
157.10056	20.4
159.11623	9.9
161.13141	4.6
163.03845	1.3
163.11064	5.5
165.12674	1.6
169.10159	1.8
171.07928	1.2
171.11636	2.1
173.09528	1.6
173.13173	7.2
175.11089	14.2
175.14729	1.3
181.12192	1.6
183.11703	1.9
185.13297	1.8
187.11096	1.5
187.14777	2.7
191.10580	1.9
193.12132	43.2
195.11543	1.7
197.13147	2.4
211.11195	1.5
211.13188	40.0
211.15074	1.9
223.14883	1.4
227.12637	2.8
229.14146	1.6
243.20917	1.7
261.22012	2.8
267.15793	14.0
283.06113	6.5
285.16849	13.5
295.05951	1.5
301.07193	1.4
301.25342	1.4
309.17026	1.2
319.22546	1.2
333.14948	5.3
335.25687	28.4
351.23236	2.5
355.17188	1.6
369.24060	2.1
387.25232	4.8
429.20901	12.6
443.27975	1.6
461.28522	2.3
467.00357	1.6
527.36841	8.6
529.38525	2.6
530.38733	6.6
545.38110	55.3
546.38788	1.5
569.37848	1.7
653.39832	8.0
671.41010	2.8
689.42236	19.1
707.41986	5.3
724.21252	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.9
55.01862	9.6
55.05247	1.6
55.05495	41.2
57.03420	29.2
57.07059	3.7
57.31099	0.8
59.04955	1.3
61.02906	1.1
64.22063	0.9
65.03908	5.3
67.05482	95.2
68.86404	1.0
69.03401	22.6
69.07044	27.7
70.75523	0.9
71.01301	1.3
71.04949	8.8
73.02879	1.7
77.03873	1.1
79.05461	70.3
81.03386	100.0
81.07023	80.4
83.04952	34.4
83.08589	29.6
85.02879	26.6
85.06522	4.8
88.96710	1.1
91.03918	1.7
91.05442	59.9
93.07005	77.6
95.04929	35.3
95.08566	56.3
97.02850	21.8
97.06505	8.6
97.10141	7.9
99.04410	6.2
99.08028	1.5
105.04454	1.3
105.06283	1.9
105.06989	44.3
107.04918	8.1
107.08556	33.3
109.02868	10.1
109.06486	10.1
109.10121	23.0
109.40138	1.1
111.04388	9.8
111.08032	12.8
113.06001	2.0
117.06971	11.4
118.03301	1.0
119.04901	1.1
119.07737	1.8
119.08550	32.2
121.06458	5.3
121.09276	1.7
121.10099	33.0
123.07996	2.2
123.11668	6.3
125.09538	2.1
127.03858	6.5
129.05443	1.6
129.06961	18.2
131.08528	28.3
133.06422	5.5
133.10088	18.9
135.08031	1.8
135.11647	15.3
137.09537	2.3
141.06873	1.3
142.07715	4.4
143.08492	5.5
145.10085	12.3
147.08031	2.3
147.11641	23.5
149.09560	7.5
149.13196	6.5
151.11143	1.5
153.12665	2.1
155.08511	2.0
157.10089	17.9
159.11621	2.7
161.09506	1.5
161.13197	5.4
163.11168	4.6
163.14784	1.3
165.12746	2.1
171.11685	1.8
173.09360	1.1
173.13196	4.1
175.11105	17.2
175.14766	1.6
181.12215	2.1
185.13216	1.7
187.14795	1.1
193.12177	38.4
201.16399	1.2
211.11259	1.6
211.13194	38.5
227.12769	2.3
229.14349	1.4
261.21997	4.6
267.15698	8.9
276.01517	1.4
283.06177	13.6
285.16840	12.6
295.05716	3.8
301.07263	5.2
323.05286	4.2
335.25668	58.2
369.24362	1.7
387.24869	1.9
429.20853	11.6
443.27573	1.7
453.33121	1.4
527.37378	9.3
529.38525	4.7
530.39038	10.7
545.38165	63.4
653.40088	2.2
671.40955	2.1
689.42401	21.7
707.41492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01854	1.0
55.05476	1.2
55.66090	0.2
56.61184	0.2
57.03414	0.3
63.03819	0.3
65.03902	1.7
67.05476	2.5
69.03407	2.3
79.05441	0.6
83.04950	8.0
85.02864	1.7
89.03889	2.9
91.05419	0.3
93.03370	2.3
95.04928	2.7
103.05382	0.4
105.03342	2.3
107.04906	3.7
109.02848	1.3
111.04411	7.8
117.03320	4.4
119.04897	0.4
121.02818	1.7
122.03667	0.4
123.04375	16.5
128.26158	0.3
129.05399	2.5
131.04895	1.9
133.02808	12.6
134.03595	3.9
135.04366	15.2
135.05402	0.6
136.05141	3.9
137.02281	1.3
137.05933	0.3
139.03831	2.6
145.02797	11.8
147.04398	3.1
149.02307	1.9
150.03056	1.9
151.03857	6.5
155.23723	0.3
157.04930	1.9
159.04369	3.7
161.02284	7.4
162.03088	2.0
163.03839	100.0
164.04135	0.5
165.06914	2.8
173.02274	45.0
174.02948	0.4
175.03809	0.4
176.06104	0.3
177.01776	1.2
179.03334	3.5
180.04237	0.3
181.04958	0.5
185.02254	0.4
186.03030	1.7
187.03838	16.4
189.01720	0.4
191.03285	1.2
193.06377	2.3
197.05821	0.4
203.03593	0.3
203.05360	2.1
205.06418	1.5
211.07434	1.1
221.05910	12.1
222.06374	0.5
223.07494	1.0
225.05455	1.0
231.02821	2.2
233.05925	1.9
239.06943	3.4
249.05370	14.8
250.05949	0.6
251.07005	2.3
253.04906	0.3
261.05420	0.3
267.06436	4.2
269.07874	0.3
277.04871	9.0
278.05420	0.4
279.06448	3.7
281.04266	0.5
295.05905	36.3
296.06155	0.7
297.07489	1.8
305.04553	1.9
307.05643	0.3
313.06989	0.3
323.05380	49.6
324.05783	1.8
336.39703	0.3
341.06430	17.7
342.07199	0.3
353.08527	1.5
355.10117	3.0
469.11008	1.2
479.09180	0.3
497.10266	0.5
515.11615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03291	0.1
55.01843	0.3
55.55185	0.1
66.08459	0.1
67.05460	0.1
69.03379	0.1
83.04930	0.8
85.02847	0.2
85.63095	0.1
89.10615	0.1
93.03382	0.1
100.11775	0.1
109.02850	0.2
111.04369	0.8
111.49590	0.1
129.05443	0.2
131.04877	0.3
137.02228	0.2
139.03821	0.2
159.04353	0.6
160.05138	3.2
161.05875	0.6
163.03867	1.2
165.06943	0.9
167.08513	0.5
175.05400	0.2
175.77878	0.1
177.06888	0.6
179.03333	1.1
181.06407	2.2
187.03835	0.9
193.06390	1.3
195.07980	0.9
197.05896	0.5
198.58601	0.2
199.07452	0.2
203.03214	0.2
203.04884	0.2
205.06424	5.1
205.68422	0.1
211.07510	0.6
221.05894	39.5
222.06357	0.8
223.07454	10.6
224.04684	0.1
224.07834	0.1
231.02710	0.9
233.05867	2.7
234.06677	0.8
235.29504	0.1
237.05290	0.2
239.06955	1.3
243.06514	0.2
249.05359	30.3
250.05969	1.4
251.06935	13.0
252.07480	0.2
253.04855	0.6
266.05515	0.3
267.06412	4.9
267.09143	0.2
269.07983	6.7
271.05914	0.7
277.04834	3.9
277.66345	0.2
281.04410	0.9
285.07462	6.3
288.38300	0.2
294.04907	0.2
295.05896	100.0
296.06213	1.9
299.05392	0.6
305.04776	0.1
313.06937	9.6
314.07498	0.2
323.05399	2.6
341.06433	2.2
454.31238	0.2
469.11115	0.2
497.09332	0.1
515.11749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97845	0.4
55.01845	0.7
57.03439	0.6
58.33840	0.6
65.03923	1.0
66.85397	0.5
67.05465	2.7
69.03404	1.3
79.05431	0.7
81.07023	0.5
83.04945	7.3
84.93858	0.6
85.02857	2.3
89.03883	3.3
93.03345	2.2
95.04912	1.4
105.03343	2.9
107.04923	4.3
109.02836	0.8
111.04420	6.6
114.35324	0.6
117.03312	3.4
117.67875	0.6
121.02805	4.4
123.03525	1.0
123.04390	15.8
129.05377	2.5
131.04852	1.3
133.02818	23.8
133.06259	0.5
134.03584	3.5
135.04376	14.5
136.05151	5.6
137.02303	4.6
139.03857	2.7
145.02802	11.4
147.04379	5.9
149.02299	5.8
150.03049	2.3
151.03889	7.0
153.77802	0.6
157.05005	0.7
159.04373	2.9
161.02286	20.2
162.03069	15.4
163.03847	95.7
165.06999	4.6
167.07057	0.6
173.02277	27.8
177.01788	2.5
179.03322	0.8
181.06401	0.7
186.03105	0.6
187.03854	13.4
193.06493	3.3
197.05951	0.9
205.06410	2.2
211.07487	1.3
221.05920	17.3
223.07492	1.2
225.05423	5.1
231.02844	2.4
233.05890	1.1
239.06963	3.9
249.02940	1.0
249.05376	20.6
251.06912	2.7
253.04883	3.9
267.06381	6.6
269.08102	0.9
277.04831	10.5
279.06512	4.0
285.75601	0.5
295.05923	43.3
297.07364	7.5
301.08746	0.6
305.04443	3.5
313.06888	0.9
316.84293	0.6
323.05399	100.0
341.06451	18.8
353.08600	1.2
355.09879	1.2
442.47864	0.6
469.11115	3.0
497.10571	2.8
515.11591	1.2
725.35577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.8
55.05470	0.3
56.13694	0.2
65.03907	0.2
67.05453	0.4
68.99757	0.2
69.03393	0.4
74.06583	0.2
76.55027	0.2
83.04941	1.8
85.02853	0.2
93.03337	0.4
93.36387	0.2
95.04915	0.3
101.33792	0.2
102.27209	0.2
107.08548	0.3
111.04413	2.3
121.02831	0.7
123.04384	0.4
129.05441	0.3
133.02789	0.8
135.04349	0.2
135.07980	0.7
137.02293	1.0
139.03833	0.8
141.06900	0.2
145.02777	0.9
146.72237	0.2
147.04346	0.9
153.06975	0.3
155.08487	0.7
157.04939	0.3
159.04378	0.3
161.02271	0.4
163.03857	1.6
165.05585	0.2
165.06944	5.5
176.06085	0.4
177.05376	1.6
177.06938	1.3
181.06358	0.3
183.07999	0.7
187.03780	1.6
193.06416	7.0
193.88046	0.2
195.06355	0.2
195.08034	0.4
197.05908	1.3
203.03236	0.3
203.04909	0.3
203.76810	0.2
205.06421	2.4
207.04385	0.3
207.07928	0.2
210.06595	0.3
211.07472	3.2
211.57712	0.2
221.05911	25.8
223.07426	1.5
225.05426	1.6
225.91742	0.2
231.02596	0.3
231.04582	0.3
233.05878	2.0
238.06195	0.4
239.06943	7.3
249.05380	39.7
250.05972	1.3
251.06845	1.7
253.04848	0.9
259.03824	1.7
261.05386	1.0
266.05664	0.4
267.06433	10.1
277.04858	24.6
278.05505	1.2
279.06427	6.3
281.04190	0.6
294.05197	0.4
295.05914	52.7
296.06070	0.4
297.07474	0.8
305.04343	6.3
323.05399	100.0
323.80856	0.2
324.05878	1.5
329.21170	0.2
341.06573	1.6
497.10571	1.2
574.34174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97845	0.4
55.01845	0.7
57.03439	0.6
58.33840	0.6
65.03923	1.0
66.85397	0.5
67.05465	2.7
69.03404	1.3
79.05431	0.7
81.07023	0.5
83.04945	7.3
84.93858	0.6
85.02857	2.3
89.03883	3.3
93.03345	2.2
95.04912	1.4
105.03343	2.9
107.04923	4.3
109.02836	0.8
111.04420	6.6
114.35324	0.6
117.03312	3.4
117.67875	0.6
121.02805	4.4
123.03525	1.0
123.04390	15.8
129.05377	2.5
131.04852	1.3
133.02818	23.8
133.06259	0.5
134.03584	3.5
135.04376	14.5
136.05151	5.6
137.02303	4.6
139.03857	2.7
145.02802	11.4
147.04379	5.9
149.02299	5.8
150.03049	2.3
151.03889	7.0
153.77802	0.6
157.05005	0.7
159.04373	2.9
161.02286	20.2
162.03069	15.4
163.03847	95.7
165.06999	4.6
167.07057	0.6
173.02277	27.8
177.01788	2.5
179.03322	0.8
181.06401	0.7
186.03105	0.6
187.03854	13.4
193.06493	3.3
197.05951	0.9
205.06410	2.2
211.07487	1.3
221.05920	17.3
223.07492	1.2
225.05423	5.1
231.02844	2.4
233.05890	1.1
239.06963	3.9
249.02940	1.0
249.05376	20.6
251.06912	2.7
253.04883	3.9
267.06381	6.6
269.08102	0.9
277.04831	10.5
279.06512	4.0
285.75601	0.5
295.05923	43.3
297.07364	7.5
301.08746	0.6
305.04443	3.5
313.06888	0.9
316.84293	0.6
323.05399	100.0
341.06451	18.8
353.08600	1.2
355.09879	1.2
442.47864	0.6
469.11115	3.0
497.10571	2.8
515.11591	1.2
725.35577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01851	12.2
55.05494	23.3
57.03421	23.7
59.04986	2.1
61.02920	1.9
67.05479	38.3
67.05811	1.8
69.03410	3.3
69.07033	11.8
71.04960	5.1
73.02890	1.4
73.65745	1.2
75.16946	1.6
75.17381	1.3
78.07798	1.4
79.05460	48.1
81.03384	71.6
81.07021	49.3
81.07484	1.8
83.01327	8.8
83.04944	27.8
83.08591	22.1
85.02871	5.0
85.06524	2.3
91.05444	63.2
93.07012	55.4
93.07581	2.4
95.04933	27.6
95.08570	15.3
97.02865	3.3
97.06506	10.0
97.10120	2.4
99.08046	1.7
105.06989	36.2
107.04909	21.7
107.08547	18.5
109.06505	9.6
109.10132	7.2
111.04452	2.7
111.08067	3.4
117.07001	9.1
119.08533	25.1
121.06500	6.1
121.10121	13.3
123.04412	2.0
123.08005	9.6
125.05945	1.9
125.09606	1.9
129.06952	15.1
131.08525	18.1
133.06467	1.7
133.10095	24.1
135.08089	2.2
135.11652	11.2
137.09613	2.6
142.07750	2.4
145.10081	18.8
147.08035	7.0
147.11635	13.9
149.02347	3.3
149.09589	6.0
153.12746	1.8
155.08569	3.3
157.10042	17.9
161.09579	2.0
163.03851	2.3
163.11122	22.5
165.12740	1.8
173.09674	2.4
175.11105	12.9
181.12297	1.5
191.10718	2.1
193.12160	22.6
209.11829	3.2
221.05980	5.8
227.12709	1.9
249.05437	7.8
258.87863	1.3
267.15802	65.4
277.04773	3.1
279.56155	1.6
283.15311	61.8
295.05948	13.1
300.35559	1.6
321.03845	2.3
323.05310	17.6
459.27237	100.0
477.28525	5.7
491.26160	33.8
509.27780	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	706.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.4
58.06578	0.3
59.07376	0.2
60.07833	0.3
60.08139	7.8
71.07339	4.3
81.03378	0.4
86.09672	42.6
91.05418	0.3
92.09354	0.4
98.98425	4.0
104.10700	3.1
114.35045	0.2
124.99952	29.0
141.31281	0.2
143.01013	0.3
143.08675	0.2
163.09018	0.2
184.07271	100.0
185.07651	0.4
211.16512	0.2
215.15378	0.2
451.21851	0.2
521.77344	0.2
706.46350	11.6
707.47260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
53.72261	1.2
55.01859	19.9
55.05497	43.7
57.03423	25.0
57.07053	3.0
60.08133	2.1
61.02898	8.1
61.83659	1.2
65.03912	1.2
67.05485	31.9
67.85384	1.3
69.03400	3.5
69.07044	16.4
69.58217	1.4
71.01337	3.0
71.04964	7.7
71.07332	1.9
73.02887	3.5
79.05460	44.4
81.03384	29.8
81.07024	42.7
82.04160	1.9
82.42080	1.2
83.01305	15.6
83.04952	30.3
83.08589	22.0
85.02858	13.2
85.06534	2.1
86.09673	27.6
87.12273	1.2
91.03902	1.5
91.05445	41.9
92.75260	1.4
93.07004	55.5
95.04928	16.6
95.08565	20.9
97.02867	16.5
97.06499	12.0
97.10132	7.6
99.04436	3.4
105.06992	26.7
105.38049	1.6
107.04928	20.0
107.08555	26.0
109.02927	1.6
109.06489	16.3
109.10110	8.2
111.04414	8.9
111.08037	7.9
115.17281	1.6
116.04685	6.0
117.06993	14.2
119.08537	24.9
121.06484	6.2
121.10098	23.0
123.08026	14.1
124.99949	14.6
125.05983	1.8
125.09579	9.7
129.05437	16.6
129.06990	6.4
131.08495	12.2
131.40544	1.5
133.10094	13.4
135.08005	9.5
135.11652	20.5
137.09552	5.5
143.07076	2.7
143.08513	2.7
145.02725	1.6
145.10100	29.6
147.08031	5.6
147.11627	12.2
149.09630	3.2
151.07445	1.9
153.12741	2.6
155.08508	2.9
157.08583	6.4
157.10069	3.4
163.11147	31.3
171.10165	1.6
173.09531	2.8
175.11142	2.8
181.12221	2.7
184.07275	43.8
189.11145	2.8
191.10612	6.4
193.12215	3.2
199.13260	3.0
209.11688	9.8
211.13191	1.6
221.05904	3.5
223.07436	1.8
227.12791	11.7
249.05444	3.0
265.14011	1.9
267.06442	2.9
267.15799	10.0
277.04846	3.1
283.15298	100.0
285.16867	2.9
295.05811	13.5
301.16272	19.6
303.24399	1.4
321.03964	2.0
322.04257	2.3
323.05432	14.4
459.27567	3.3
473.28894	2.0
475.26590	3.2
477.28183	7.0
491.25909	45.2
492.26468	1.9
509.27274	36.9
527.28314	2.1
656.34979	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	706.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76928	0.8
53.00282	4.0
53.03922	3.8
55.01854	7.0
55.05242	1.3
55.05495	29.5
57.03422	22.0
57.07049	0.9
59.04972	3.5
61.02908	7.5
67.05483	30.5
69.03403	8.5
69.07043	10.9
71.01324	1.1
71.04958	5.3
73.02877	3.1
79.05461	28.3
81.03388	68.6
81.07027	43.0
83.04947	19.2
83.08588	30.1
85.02879	29.3
85.06523	3.2
91.03925	2.9
91.05449	42.5
93.07011	32.9
95.04932	33.1
95.08569	14.0
97.02843	13.1
97.06471	6.9
97.10122	4.2
99.00780	23.0
99.04388	1.4
99.08033	1.3
103.05380	1.0
105.06999	35.3
107.04916	14.0
107.08552	15.6
109.02854	11.3
109.06477	8.9
109.10132	8.6
111.04407	4.2
111.08038	13.2
113.05957	2.0
115.03892	2.0
115.05389	0.8
117.06997	4.7
119.04883	1.7
119.08530	26.9
121.06480	8.6
121.10101	10.5
123.04397	1.7
123.08067	3.5
123.11678	4.5
124.99897	1.0
125.05955	1.5
125.09594	1.9
127.03891	4.9
128.06161	0.9
129.06982	12.2
131.08537	13.4
133.06442	3.9
133.10089	45.1
135.08017	1.5
135.11624	1.6
137.05942	4.6
137.09560	3.8
139.07518	3.9
141.05412	0.9
141.34973	0.7
142.07742	3.2
143.08492	5.7
145.06422	1.0
145.10080	1.7
147.04379	1.2
147.08002	4.6
147.11632	14.7
149.09576	6.1
151.04147	0.8
151.11142	11.0
153.05457	1.7
157.10043	13.0
161.09547	17.8
163.03931	1.0
163.11121	3.5
165.12703	1.9
171.07977	4.2
175.11089	14.8
179.10631	9.1
189.09073	8.4
193.12180	39.7
197.11682	2.9
207.10095	3.4
209.11830	0.8
211.13231	38.7
219.13562	0.8
221.05840	1.3
225.11215	5.5
249.05339	1.9
267.15833	15.2
277.04898	0.8
281.13693	4.3
283.15317	4.5
285.10049	1.0
285.16861	45.3
295.05807	3.3
299.14789	52.3
323.05234	7.2
445.25809	1.2
463.26401	1.0
465.31927	3.6
473.25150	1.5
477.27890	1.2
491.26321	18.0
491.32932	1.7
495.29205	3.2
508.15283	0.8
509.27307	100.0
510.27347	1.5
730.41010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
53.81833	0.4
54.80267	0.5
55.01855	1.0
55.05500	3.8
57.03418	4.5
59.04990	0.4
61.02906	0.9
61.12334	0.3
62.98748	0.4
65.03920	0.6
67.05485	4.1
69.03403	10.4
69.07018	0.7
69.86055	0.3
70.38911	0.3
71.04966	0.9
71.21445	0.3
73.02866	0.6
75.04458	5.2
77.03870	0.7
79.05459	20.8
81.03382	10.7
81.07027	8.4
82.97945	0.4
83.04957	0.6
85.02875	5.6
91.05444	24.4
92.08692	1.7
93.07008	100.0
94.07320	0.5
95.04926	8.2
95.08569	6.4
97.02840	5.4
97.06496	1.7
97.10133	0.5
99.04433	1.8
103.05447	3.2
105.04498	1.0
105.06998	12.5
106.07803	0.4
107.04917	2.5
107.08554	12.8
107.09222	0.8
109.02837	3.6
109.06486	2.8
109.10115	5.6
111.04439	0.7
111.08053	6.5
114.13603	0.5
114.34161	0.6
115.05437	0.9
116.06207	0.6
117.06958	2.5
119.04903	5.1
119.08536	14.4
121.06473	4.9
121.10099	82.6
122.03607	2.6
123.04439	0.6
123.08025	4.8
123.11659	1.7
125.05914	0.6
125.82842	0.4
127.03870	2.7
128.06143	0.6
129.06946	4.9
131.04883	5.0
131.08519	6.3
133.06461	2.0
133.07538	0.6
133.10136	0.7
135.07994	3.0
136.05161	0.7
137.05936	52.1
137.09550	1.0
139.11147	2.5
141.06973	0.5
143.08499	1.0
145.04915	0.7
145.06442	2.3
145.10120	0.6
147.04414	0.7
147.07990	1.7
149.05959	4.4
149.09570	15.6
151.03879	1.8
151.07497	34.4
153.06956	0.6
155.08510	0.4
157.06407	4.3
158.07246	0.5
159.07962	0.6
161.05923	7.9
161.09555	2.0
162.06688	0.6
163.03859	0.9
163.07484	13.2
165.06898	0.7
165.09073	0.9
166.07729	0.7
167.08479	4.6
167.10623	10.7
169.06383	0.7
171.07974	0.6
173.05901	0.5
173.09528	0.6
174.06693	3.0
175.07500	7.3
177.05521	0.8
177.09047	15.6
181.06415	0.6
181.10176	0.5
183.07985	1.0
187.07469	1.6
189.09044	11.4
191.06984	0.6
191.10609	2.2
193.06358	0.9
193.10045	1.7
194.07167	0.6
195.07988	9.2
195.10075	5.9
197.09547	0.9
199.11118	0.6
201.09033	2.8
203.10555	0.6
205.06477	0.5
207.08104	0.6
207.10086	2.4
209.09543	2.5
210.06650	0.6
212.08257	1.6
213.09108	0.8
215.10582	0.9
217.08496	1.0
219.10043	4.0
221.05945	3.9
221.09509	4.0
221.11700	2.4
223.07414	3.9
224.08244	1.6
225.09007	2.7
227.07077	0.7
227.10599	12.5
229.12189	0.8
231.10063	0.7
236.08350	0.5
237.08983	0.9
238.06201	1.0
239.10725	0.6
240.07706	0.7
241.08405	0.6
241.12099	1.7
249.08951	1.8
251.10530	0.8
252.07726	0.7
253.08429	4.5
253.12129	6.4
255.10045	9.6
255.13802	0.7
259.13116	0.5
265.08606	1.6
266.09229	0.7
267.10226	2.9
269.07877	1.0
270.08813	0.6
271.13138	0.6
273.14697	2.1
281.11539	2.4
285.11066	5.6
285.14478	1.0
285.34415	0.5
287.12714	10.5
293.13705	2.5
295.05911	0.9
297.11038	2.1
297.14749	0.7
299.12817	3.0
305.11597	2.2
309.11047	0.9
311.15082	6.8
313.14285	5.7
323.05246	0.5
323.12613	0.7
323.16382	0.8
328.44812	0.5
331.15277	21.9
333.11029	0.5
341.13596	0.7
343.15256	5.0
355.15125	2.0
355.18982	0.9
381.16656	0.8
399.17902	0.8
417.18695	1.0
421.16339	1.8
461.23053	0.6
479.24097	6.4
498.94666	0.5
587.25775	1.0
605.27057	0.8
623.27789	2.2
641.28778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.9
53.80067	1.3
55.01857	11.6
55.05281	1.2
55.05497	21.0
57.03418	12.2
57.07051	1.7
61.02890	2.5
65.03890	2.4
67.05153	1.9
67.05482	32.9
69.03412	12.9
69.07040	8.6
71.01290	1.9
71.04955	7.6
73.02861	2.4
74.22160	1.4
79.05466	36.5
81.03385	43.1
81.07026	73.4
83.01295	6.9
83.04955	16.5
83.08577	9.5
85.02876	11.6
85.06518	1.6
86.09673	2.4
91.05444	29.6
93.07010	66.4
94.07330	2.4
94.57752	1.4
95.04938	22.2
95.08569	38.7
97.02848	26.4
97.06497	13.9
97.10111	2.5
99.04413	6.6
103.05414	2.2
105.06997	33.6
107.04932	21.0
107.08564	51.2
109.02827	6.2
109.06479	14.1
109.10116	19.6
111.04408	12.4
111.08043	3.7
113.05962	2.5
115.05433	6.7
117.06942	13.9
119.08544	24.8
121.06454	10.4
121.10084	25.5
122.03611	2.2
123.04395	8.7
123.08036	7.6
123.11681	26.3
125.05938	3.7
125.09585	5.9
127.03848	2.7
128.06190	1.9
129.06973	14.5
130.07733	2.0
131.04874	3.5
131.08517	8.9
133.06436	6.1
133.10094	21.4
135.04369	6.6
135.07996	7.7
135.11635	21.6
137.05934	100.0
137.09538	3.3
139.03885	1.8
140.27939	1.7
142.07721	2.8
142.87418	1.6
143.04890	10.2
143.08505	6.9
145.06441	6.1
145.10089	28.9
147.08031	8.7
147.11638	11.3
148.05151	1.5
149.05949	2.9
149.09554	10.1
151.03905	3.1
151.07539	3.3
151.11136	18.0
153.05406	3.1
153.12677	11.2
155.08479	6.4
157.06451	3.1
159.07944	6.5
159.11650	3.1
160.05136	15.0
161.05930	9.1
161.09547	7.1
163.03835	1.7
163.07471	2.8
163.11121	32.9
165.06946	1.6
168.31117	2.0
169.12175	12.4
171.07938	2.5
171.11627	2.7
172.05191	1.9
173.09576	11.0
175.07491	83.1
175.11101	9.2
177.08977	1.9
179.06918	6.1
179.10605	5.8
181.12157	16.2
184.07249	2.0
185.13196	1.9
187.07480	30.2
189.09006	10.2
189.12762	2.3
191.10608	7.7
193.12163	8.3
197.07954	2.2
203.10651	2.0
205.08501	7.6
205.12192	2.8
209.11664	9.6
211.07426	2.4
213.12679	2.8
215.09035	7.5
217.08575	2.3
217.12213	2.6
221.05893	2.7
223.07321	2.1
227.12627	5.8
231.13681	6.6
235.09535	14.2
241.11998	2.4
247.13191	10.8
249.05341	7.3
259.13156	12.6
265.14304	13.6
267.06439	1.8
267.15778	7.8
270.08813	1.9
277.04739	1.8
277.14270	21.1
283.15289	43.7
285.17038	1.5
291.09979	2.7
295.05981	13.2
295.15295	16.8
301.16574	4.1
313.16388	10.1
322.03958	2.1
323.05328	16.2
323.12677	2.8
341.13571	7.6
357.13144	2.0
424.40869	1.6
446.62247	1.5
459.27054	1.8
491.26215	28.7
509.27301	24.0
618.50085	1.8
632.08234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02620	2.1
53.00295	2.5
53.03933	16.1
55.01853	23.1
55.05246	3.5
55.05496	63.5
57.03427	26.3
57.07065	4.2
60.08140	5.4
61.02905	3.9
63.55240	1.9
65.03925	4.4
67.05485	96.1
68.24489	2.1
69.03414	39.4
69.07040	30.6
71.04965	14.1
71.07320	2.4
71.08597	2.8
72.09340	2.3
77.62117	2.2
79.05466	77.5
81.02954	4.7
81.03394	100.0
81.06551	3.4
81.07030	94.7
82.73112	2.1
83.04963	41.3
83.08595	30.7
85.02880	16.2
86.09680	39.1
87.95360	2.5
91.05448	57.2
93.07008	71.8
95.04935	22.4
95.08575	58.2
97.02866	28.4
97.06496	9.9
97.10143	28.1
98.98435	13.7
99.04427	4.9
99.09441	2.6
105.06999	51.3
107.04932	19.2
107.08574	58.2
109.02850	18.2
109.06477	8.1
109.10130	26.1
111.04433	27.9
111.08047	11.3
111.74983	2.2
113.45976	3.4
117.06978	30.9
119.08530	42.3
121.06478	5.6
121.10105	35.3
123.04449	2.8
123.08038	4.5
123.11638	3.9
124.99963	22.7
125.09593	16.4
127.03880	11.8
129.06927	18.0
131.08522	40.9
133.06435	3.2
133.10078	23.5
135.08032	9.0
135.11649	29.3
141.06973	4.0
142.07753	2.6
143.08496	14.5
145.06479	2.8
145.10069	36.3
147.11650	15.4
149.13232	4.1
153.12720	22.7
155.01105	3.2
155.08505	9.4
157.10089	16.5
159.08025	5.1
159.11635	18.5
161.13211	6.2
163.11145	23.6
163.14874	2.8
169.10115	5.5
171.11606	15.1
173.04431	15.2
173.09520	3.8
173.13229	17.7
175.11115	2.8
181.10095	3.0
181.12201	15.7
183.11583	6.1
184.07291	71.9
185.07613	10.2
185.13156	9.9
187.14792	3.2
189.03548	2.7
189.11121	4.9
189.12691	3.1
191.10635	15.2
193.12195	3.4
197.13231	4.7
199.14880	5.2
213.63948	3.2
227.12643	30.5
259.20334	3.2
261.22128	5.3
283.15259	12.7
299.23914	4.0
335.25720	29.4
369.23892	3.1
427.19370	19.1
433.31067	3.0
501.35291	5.9
506.34393	2.8
525.35510	16.3
533.38049	5.6
543.36719	56.6
561.38312	4.6
687.40710	29.8
705.42017	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	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.3
53.03936	16.1
55.01857	19.0
55.05242	3.2
55.05496	62.3
57.03420	25.2
57.07045	9.9
57.15012	1.8
58.27020	2.0
60.08137	4.7
60.32772	2.2
61.02888	3.4
65.03917	2.7
67.05482	100.0
69.03410	46.1
69.07042	32.7
69.24016	1.9
71.04959	17.9
71.07333	3.8
79.05462	92.0
81.03386	87.3
81.07030	93.9
83.04956	33.0
83.08588	33.0
85.02879	11.4
85.06501	4.5
86.09672	31.0
87.09958	2.9
91.05442	64.5
93.07008	86.9
93.07590	4.2
95.04937	28.0
95.08570	59.4
97.02851	30.1
97.06496	11.4
97.10114	26.3
98.98400	12.2
99.04411	11.9
105.06996	53.8
107.04928	21.3
107.08562	50.8
109.02858	15.7
109.06472	8.9
109.10118	25.7
111.04425	26.1
111.08053	10.9
115.05340	3.3
117.06976	30.5
119.08550	40.5
121.06415	4.9
121.10085	27.0
123.08078	2.9
123.11698	3.2
124.99987	21.4
125.09577	13.4
127.03893	11.0
129.06985	18.6
130.07774	5.2
131.08527	39.9
133.06483	3.5
133.10080	23.3
135.08051	5.8
135.11652	29.6
137.09599	3.0
141.06981	2.3
142.07735	3.6
143.08511	11.8
145.10052	32.4
147.08028	3.4
147.11635	17.5
149.09534	2.6
149.13214	3.4
153.12712	20.1
155.08521	5.8
155.34586	2.2
157.10068	13.4
159.11647	14.4
161.13228	11.0
163.11128	20.8
163.12354	2.2
169.10074	5.4
171.08012	3.9
171.11636	9.6
173.04420	15.9
173.09518	4.4
173.13188	15.5
175.11209	2.5
181.10118	2.9
181.12138	17.0
183.07895	2.5
184.07278	57.6
185.13182	5.2
187.14647	7.9
189.11098	4.5
191.10564	12.0
193.12328	2.3
195.11609	2.7
197.13237	3.8
201.12666	2.7
209.11559	4.0
227.12738	26.6
243.13562	2.4
259.20532	3.0
261.22049	5.2
265.14197	3.4
274.18552	2.5
283.15182	22.5
284.86520	2.4
299.23581	4.4
301.21597	3.0
305.98401	2.2
317.24652	3.2
333.24149	3.4
335.25711	39.5
353.16129	3.1
385.54218	2.2
427.19247	10.4
451.32104	3.0
501.35281	10.5
525.35425	12.4
533.38202	4.3
543.36646	53.3
561.37433	4.6
567.35651	2.6
669.40076	2.8
687.40765	27.7
705.41644	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	705.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.6
53.03929	3.7
53.76892	1.9
55.01854	4.7
55.05494	31.0
57.03415	14.4
57.07069	2.2
59.65205	1.9
61.02900	14.5
67.05155	3.1
67.05483	51.4
69.03400	15.7
69.07034	17.3
70.67556	2.3
71.04979	3.7
73.02877	5.5
79.05462	36.9
81.03384	38.7
81.07025	43.0
83.04951	14.1
83.08593	12.8
85.02874	17.1
85.06509	2.9
91.05437	45.7
93.07014	43.5
95.04939	18.2
95.08582	24.8
97.02851	21.4
97.06481	3.1
97.10139	15.1
99.04366	2.5
100.61418	2.2
102.13793	2.1
103.05446	2.3
105.06987	49.4
107.04939	10.6
107.08549	26.9
109.06466	3.9
109.10141	17.5
111.04365	2.8
117.06966	22.1
119.08543	36.8
121.06448	3.5
121.10115	11.4
123.08040	2.4
125.09592	12.3
126.04504	2.2
127.03820	2.5
128.06206	2.8
129.06955	21.4
131.08528	30.7
133.06401	2.9
133.10085	18.1
135.08015	3.7
135.11649	5.0
137.09624	3.7
141.06921	5.5
142.07706	4.8
143.08521	19.0
145.06508	3.4
145.10083	21.7
147.08022	3.3
147.11661	12.7
149.09569	3.7
149.13213	2.4
155.08501	13.9
157.10077	20.6
159.07942	2.7
159.11639	13.6
161.13196	4.7
163.11101	3.3
167.08511	2.5
169.10059	5.2
171.07976	3.6
171.11644	12.5
173.09561	4.0
173.13206	13.1
175.11183	3.5
177.12717	2.6
181.10069	10.0
183.11674	9.5
185.13177	11.2
187.11058	2.8
187.14685	2.7
193.12195	4.7
195.11618	4.6
199.11075	3.3
199.14734	4.4
209.13161	3.0
209.51099	2.1
211.13098	3.5
221.19003	2.3
227.12553	4.2
241.19504	2.9
259.20407	5.2
267.15808	3.6
299.23730	5.0
321.03864	9.6
333.24222	3.3
400.55182	2.5
433.30762	3.6
435.27124	4.9
451.31863	4.8
469.32767	3.2
506.20264	2.6
525.35486	31.9
543.36615	100.0
651.37897	4.8
669.39294	3.5
687.40247	12.2
705.42358	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	705.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34363	1.2
53.00282	2.4
53.03932	15.8
55.01856	22.4
55.05244	2.2
55.05496	56.4
57.03417	19.8
57.07049	1.9
59.04959	2.8
65.03921	2.1
67.05117	3.6
67.05479	100.0
67.78685	1.8
69.03402	39.2
69.07031	25.5
71.01337	1.6
71.04956	16.1
73.02868	3.9
77.78422	1.4
79.05464	74.1
81.02901	1.6
81.03383	87.8
81.07024	99.7
83.01315	1.9
83.04948	41.9
83.08585	25.5
83.64877	1.5
85.02872	16.1
85.06481	2.0
86.09666	9.0
91.05441	56.3
93.07005	94.3
95.04916	24.4
95.08569	66.2
97.02851	26.0
97.06505	17.2
97.10121	24.2
99.04427	9.8
105.04475	2.3
105.06995	51.6
107.04945	13.1
107.08559	48.1
109.02845	20.5
109.06490	6.3
109.10117	26.1
111.04385	22.7
111.08037	10.4
115.05386	2.3
117.06979	30.6
119.08525	32.9
121.06449	4.1
121.10090	35.0
123.07999	2.7
123.11692	3.7
124.99932	3.8
125.09595	17.8
127.03862	15.2
129.06984	12.9
129.07788	1.8
131.08516	40.7
132.04372	1.6
133.06451	2.6
133.10071	20.7
135.08006	9.0
135.11632	31.3
137.09576	2.7
142.07727	2.2
143.08492	13.6
145.06474	2.3
145.10060	34.8
147.11656	13.8
149.09628	3.4
149.13228	6.9
153.12686	26.1
155.08449	13.3
157.10033	13.1
159.07985	2.3
159.11644	14.5
161.13196	9.5
163.11131	27.8
163.14767	2.0
167.08563	3.4
168.09373	2.2
169.10011	11.8
171.07997	2.1
171.11604	8.2
173.04439	14.7
173.09558	8.4
173.13174	11.9
175.11018	2.7
175.14850	2.0
181.12163	21.0
182.10745	2.0
183.08069	1.6
183.11641	7.6
184.07256	21.4
185.09532	2.3
185.13190	3.7
187.14767	6.6
189.11182	7.5
191.10638	12.7
195.11769	5.4
197.09688	2.0
197.13202	3.2
199.14784	3.3
209.11563	3.6
221.13239	2.3
225.16339	1.8
227.12625	27.3
235.14664	2.3
259.20486	2.3
261.22079	10.3
283.15244	17.7
299.23569	8.1
317.24579	2.0
321.03629	2.1
333.24094	2.6
335.25665	46.6
351.23026	2.1
353.15662	6.9
427.19565	16.7
451.32098	2.9
461.28622	2.0
525.35632	16.0
543.36676	55.5
544.36963	2.2
561.37616	7.0
564.40234	2.5
635.71826	2.1
669.39197	3.3
687.40729	40.0
688.40234	2.4
705.41980	20.7
708.98090	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51585	0.2
53.09097	0.2
54.80756	0.2
56.05020	0.3
60.08142	8.6
60.42551	0.2
67.28261	0.2
69.07043	0.2
69.37628	0.2
71.07349	4.4
86.09674	45.2
87.62032	0.2
98.98416	4.2
104.10708	3.2
124.99956	33.6
136.86119	0.2
143.01006	0.5
184.07274	100.0
185.07693	0.2
244.39063	0.2
704.44727	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	704.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04531	0.1
53.97209	0.2
54.80894	0.2
55.05482	0.2
56.05011	0.8
57.07051	0.3
58.06577	0.3
59.78786	0.2
60.08141	10.5
64.87424	0.2
67.05479	0.3
68.21274	0.2
68.23879	0.2
70.06551	0.2
71.06962	0.2
71.07346	5.1
71.08585	0.3
74.95103	0.2
77.19813	0.2
78.22786	0.2
79.05447	0.3
81.07021	0.4
81.93703	0.2
84.18974	0.2
86.09673	52.5
89.06014	0.2
91.05471	0.2
93.06998	0.4
95.08572	0.4
98.98435	4.6
102.76520	0.2
104.10703	4.0
104.24522	0.2
107.08560	0.3
108.22169	0.2
116.99495	0.2
119.08517	0.3
124.99957	36.6
143.00992	0.5
145.10054	0.3
152.65460	0.2
184.07274	100.0
227.12479	0.3
436.90408	0.2
496.33469	0.2
670.84869	0.2
704.44818	13.7
705.45221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15538	1.5
53.03923	18.0
53.98325	1.8
55.01852	26.0
55.05243	2.6
55.05494	56.1
56.10345	1.8
57.03413	25.3
57.07046	4.7
59.04949	2.2
67.05478	100.0
69.03397	37.3
69.07034	29.9
71.04956	15.8
73.02880	2.0
79.05003	3.5
79.05457	78.1
81.03384	88.3
81.07021	82.7
83.04948	35.0
83.08588	25.5
85.02863	12.8
85.06492	4.1
86.09650	3.8
87.47408	1.9
90.92355	1.8
91.05447	57.9
92.09306	4.0
93.07005	80.1
95.04919	16.9
95.08565	57.9
97.02851	25.9
97.06505	14.2
97.10120	26.9
98.87870	1.9
99.04415	11.3
99.07990	3.0
105.04458	2.0
105.06995	45.6
107.04929	17.0
107.08555	48.2
109.02840	17.3
109.06468	9.0
109.10120	29.1
111.04401	24.5
111.08047	10.7
117.06967	32.7
119.08526	37.7
121.06487	6.9
121.10094	29.2
123.08019	7.6
123.11665	3.8
125.09596	16.7
126.49882	2.0
127.03855	7.2
128.06169	3.2
129.06964	19.2
131.08516	36.2
133.06465	2.8
133.10072	26.3
135.07980	3.7
135.11632	32.5
141.06900	4.1
142.07748	2.8
143.08501	14.0
145.06448	3.7
145.10066	39.2
147.07964	7.2
147.11569	13.7
149.09532	4.5
149.13229	3.3
153.06963	2.5
153.12698	24.2
155.08473	7.7
157.10059	12.7
159.08044	3.7
159.11604	13.8
161.09654	3.7
161.13193	3.4
163.11111	24.7
167.08549	2.3
169.10068	9.7
171.11604	12.7
173.04378	15.1
173.05786	1.9
173.09607	4.3
173.13208	10.8
175.11081	2.8
181.12196	15.2
183.11607	4.7
184.07265	11.0
185.13242	4.5
187.11107	3.3
187.14757	4.6
189.11124	4.1
191.10597	11.3
191.14220	1.9
195.11691	2.6
197.13205	9.2
199.14830	3.1
211.14853	2.2
223.14885	2.5
227.12628	25.7
253.09235	2.0
261.22165	3.3
267.15778	3.0
283.15250	10.9
299.23569	3.8
301.16562	2.4
315.22986	2.3
322.03970	2.4
335.25653	23.4
351.23154	2.6
353.15591	3.4
369.24124	2.8
427.19589	18.1
433.31180	3.6
451.31982	6.9
469.32767	2.4
515.37231	3.3
525.35724	16.1
543.36646	47.5
561.37482	3.3
563.39142	2.2
624.17053	2.3
669.39392	3.1
687.41138	25.2
705.41528	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.2
53.03922	1.9
55.01856	0.6
55.05496	3.7
57.03417	5.9
57.07053	0.2
57.25175	0.2
61.02894	0.6
65.03918	0.4
67.05472	2.3
69.03033	0.3
69.03405	9.4
69.07043	0.5
71.01312	0.2
71.04964	1.0
73.02876	0.6
75.04446	6.5
77.03877	0.2
79.05459	19.0
81.03381	11.0
81.07024	7.1
83.04948	1.4
85.02870	5.7
87.04418	0.4
91.05438	16.4
93.07003	100.0
94.07304	0.4
95.04929	5.3
95.08568	3.4
97.02847	7.3
97.06494	1.6
97.10069	0.3
99.04409	1.4
103.05434	1.5
103.39864	0.3
105.04511	0.8
105.06989	9.8
106.07765	0.4
107.04914	1.4
107.08555	12.5
109.02827	3.5
109.06470	1.1
109.10159	0.4
111.04413	1.4
111.08045	6.0
115.05399	1.7
116.06232	0.4
117.06963	1.5
119.08532	11.2
121.06448	1.6
121.10093	78.1
121.24265	0.3
122.03588	0.9
122.10461	0.4
123.04393	0.5
123.08022	2.4
123.11678	0.5
125.05910	1.2
127.03877	3.1
129.06903	2.2
131.04842	1.2
131.08504	6.4
133.06392	0.3
133.07574	0.4
133.10095	1.4
137.05928	26.8
139.11133	2.8
142.07687	0.4
143.04880	1.6
143.08487	0.5
145.04893	1.0
145.06454	0.4
145.10098	1.0
147.04352	0.3
147.07924	0.3
149.09578	11.1
151.03850	0.6
151.07506	0.5
155.08453	0.3
157.06413	1.1
157.09950	0.4
159.07954	0.3
160.05118	2.9
161.05952	0.6
163.07475	0.5
163.11021	0.3
165.05336	0.4
167.06866	0.3
167.10614	14.3
171.08012	0.3
173.09547	0.3
174.06662	0.3
175.07468	13.6
175.08940	0.6
187.07497	6.3
189.09032	1.6
194.30621	0.3
201.09061	0.5
203.08514	0.4
205.08575	3.1
211.07437	0.4
217.08513	1.0
219.10092	0.4
229.12015	0.3
231.07919	0.4
235.09505	1.7
239.06729	0.3
247.07523	0.3
270.08588	0.2
271.09476	0.5
275.12671	0.3
276.07568	0.3
279.10080	0.3
283.15198	1.0
285.09793	0.3
291.10031	1.1
293.13712	4.1
311.14828	8.3
323.12524	0.6
329.15765	1.2
341.13608	1.0
345.09836	0.3
346.10135	0.5
357.13123	0.4
487.09570	0.3
588.92188	0.3
597.26984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25777	2.7
54.08517	2.4
54.80912	2.4
55.01857	7.1
55.05497	81.5
57.03413	36.7
57.07053	7.0
59.04968	3.8
67.05483	89.1
69.03397	11.5
69.07047	19.4
79.05461	66.8
81.03374	4.6
81.07027	83.3
83.04945	5.4
83.08595	44.8
85.02883	6.2
86.09686	12.2
91.05457	28.2
93.07011	70.9
94.07317	3.7
95.04935	4.5
95.08572	52.2
97.10134	100.0
105.06997	19.8
107.08567	53.7
109.10155	29.5
111.08065	4.0
119.08519	12.2
121.10101	25.3
123.11665	5.4
124.99983	12.8
125.09588	94.9
131.08537	14.4
133.10078	11.3
135.08011	4.2
135.11678	6.2
137.34517	3.7
145.10106	6.3
147.11717	5.0
152.47522	3.1
174.36714	3.3
184.07297	26.4
184.78400	3.3
189.11148	58.2
227.12720	68.5
227.19998	4.8
245.13765	66.3
261.22144	22.8
317.24860	3.4
335.25726	78.5
455.49893	3.5
487.33948	4.9
505.34982	63.0
507.04391	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	702.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.3
56.05003	0.4
57.07053	0.3
58.06563	0.3
60.08141	9.0
67.05464	0.3
67.47743	0.2
69.07062	0.2
70.06573	0.2
71.07340	4.9
73.15527	0.1
77.87546	0.2
79.05472	0.3
81.07011	0.4
86.09673	46.8
87.10017	0.3
91.05429	0.3
95.08583	0.3
97.10127	0.3
98.98421	4.2
104.10694	3.7
105.44341	0.2
109.10099	0.2
124.99957	31.7
133.52954	0.2
143.01003	0.8
184.07275	100.0
185.07729	0.2
285.49597	0.2
376.08734	0.2
390.11554	0.2
496.19751	0.2
702.46777	9.7
703.47125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.6
53.03917	2.2
55.01859	5.4
55.05495	73.9
57.03418	24.3
57.07067	4.3
58.00566	1.8
60.08147	2.4
67.05480	100.0
69.03395	4.1
69.07043	28.3
71.04959	1.9
78.25208	2.0
79.05459	54.9
81.03386	33.9
81.07023	85.1
83.04942	4.2
83.08589	38.9
85.02879	4.5
86.09660	11.2
91.05438	22.7
93.07003	54.9
95.04942	14.0
95.08572	47.9
97.02831	2.3
97.10131	81.8
105.06997	19.9
107.08562	42.7
109.06463	3.0
109.10127	22.5
111.08058	3.6
117.07000	9.4
119.08521	19.7
121.10102	13.8
123.08092	2.3
123.11664	4.7
124.99995	4.2
125.09582	67.9
131.08525	14.3
133.10089	10.3
135.08005	9.4
135.11671	13.5
137.13208	4.1
145.10094	5.0
147.11676	4.8
153.09001	2.1
157.10283	2.6
159.11548	4.0
161.13277	2.4
173.13162	3.1
184.07295	23.3
189.11147	39.8
193.12186	3.5
227.12726	52.5
243.20959	3.1
245.13739	66.9
261.22043	13.0
335.25699	37.5
341.93558	2.1
487.33664	3.1
505.35260	30.0
529.38684	60.5
653.49530	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	700.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03283	1.2
53.03933	2.3
53.45401	1.2
55.01851	1.6
55.05293	1.1
55.05498	15.6
57.07048	2.8
67.05477	14.9
69.03398	6.9
69.07039	15.5
71.04940	1.8
79.05453	23.3
81.07023	33.3
83.04949	8.9
83.08582	12.5
85.02872	18.3
85.06506	2.2
91.05430	17.9
93.07006	41.7
95.08028	2.4
95.08577	40.9
97.02848	6.8
97.06493	3.0
97.10133	2.1
99.08055	14.2
105.06365	2.8
105.07003	36.6
107.08561	99.0
109.06476	7.3
109.10125	19.0
111.08031	3.9
117.06945	10.5
119.08538	100.0
121.06494	3.1
121.10085	38.3
121.76011	1.6
123.07994	3.5
123.11640	9.1
125.05950	2.0
129.06918	3.4
131.08516	39.8
133.10085	56.4
135.08009	22.8
135.11644	26.2
137.09544	2.1
143.08528	17.5
145.08998	2.6
145.10085	52.8
147.07986	3.9
147.11650	33.1
149.09535	3.7
149.13184	13.6
151.07497	2.6
155.08424	2.7
156.09340	4.0
157.10062	23.7
158.10789	2.1
159.07979	3.7
159.11639	34.7
161.09550	13.6
161.13203	26.5
163.07541	2.6
163.11098	8.1
163.14761	25.8
169.10092	9.4
171.11644	16.7
173.09589	10.6
173.13171	31.7
174.13475	2.0
175.07433	2.2
175.11053	12.0
175.14767	13.3
177.08910	2.8
177.12679	3.5
177.16307	7.7
179.14227	9.0
181.10028	1.6
183.11644	9.7
185.09595	2.2
185.13185	21.5
187.11143	6.9
187.14737	58.6
189.12679	12.9
189.16306	14.0
191.14180	3.7
195.11613	3.1
197.13234	7.3
199.11061	3.0
199.14743	13.3
201.12633	6.3
201.16327	18.5
203.14262	10.5
203.17845	3.4
205.15764	11.8
207.11584	1.8
207.13693	2.5
209.13295	2.6
211.14769	9.5
213.12737	3.6
213.16289	7.5
215.14261	16.0
215.17903	2.5
217.15758	3.8
221.13280	1.9
221.15321	3.2
223.14706	2.2
227.14197	8.2
227.17862	2.6
229.15732	9.5
231.17427	2.5
233.15324	9.0
235.14717	2.2
237.16290	3.3
239.17891	2.2
241.15703	2.0
243.17284	2.6
245.15321	3.1
246.24136	1.8
249.16345	2.0
259.16873	5.8
261.18475	2.3
267.17584	1.8
281.18942	1.8
305.22586	2.0
307.20596	1.9
333.22250	2.6
349.25122	6.7
367.26224	3.9
391.29486	3.0
393.31223	3.8
403.29517	8.4
409.30905	3.3
421.30835	46.4
423.32388	9.7
439.31912	60.6
441.33389	7.7
449.30365	6.8
455.31372	2.4
457.26755	3.0
457.33017	85.5
467.31427	51.4
485.32526	28.3
503.33661	15.1
701.33490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01870	1.5
55.05496	15.7
57.03428	3.3
57.07054	2.7
61.02887	1.8
67.05478	17.0
69.03400	8.3
69.07030	18.6
71.04953	2.2
73.02868	1.8
78.10912	1.5
79.05477	18.5
81.03387	3.1
81.07023	36.5
83.04918	2.3
83.08597	10.7
85.02874	21.3
85.06523	3.4
86.34986	1.9
91.05444	25.0
93.03414	1.5
93.07007	49.4
95.04922	8.3
95.08570	46.9
97.02866	8.4
97.06502	9.7
97.10120	3.5
99.04427	6.4
99.08063	15.4
105.06994	62.6
107.04964	1.6
107.08554	59.4
109.06500	17.5
109.10113	24.6
111.04418	3.4
111.08022	7.5
117.06973	7.7
119.08535	100.0
120.08868	2.1
121.06489	18.8
121.10094	38.4
123.04407	1.9
123.08014	11.1
123.11672	7.1
125.05942	1.9
127.03854	2.2
129.06964	7.0
131.08524	49.7
133.06479	1.8
133.10078	57.4
134.10406	1.6
135.07993	24.1
135.11627	22.2
137.05977	7.4
137.09598	9.1
139.11092	2.2
141.06841	1.7
141.34775	1.8
143.08510	19.7
145.02803	3.8
145.10088	48.4
145.11223	1.7
147.07997	14.4
147.11646	57.8
148.11989	2.3
149.09587	7.8
149.13208	10.7
151.07523	3.9
153.09106	2.1
155.08496	2.4
156.09315	2.6
157.10106	24.0
158.10773	3.6
159.08064	6.0
159.11621	44.1
160.12112	1.6
161.09546	18.8
161.13206	47.3
163.03853	8.6
163.11116	8.5
163.14810	15.5
165.09105	3.0
167.10648	2.0
167.57538	1.6
169.10023	6.5
171.11630	18.1
172.12283	3.0
173.09573	3.4
173.13184	33.8
174.13643	2.0
175.11165	7.7
175.14764	18.3
177.05461	3.4
177.08948	2.0
177.12604	2.4
177.16290	7.7
179.14218	2.9
183.11609	10.9
185.13139	15.6
186.64156	1.8
187.11130	6.0
187.14755	71.4
188.15163	3.1
189.12686	35.4
189.16328	12.1
190.13159	2.3
191.14276	13.9
191.17882	2.4
193.10188	1.6
193.12216	1.9
195.11618	2.5
197.13167	8.0
199.11217	1.6
199.14766	13.6
201.12715	10.4
201.16318	34.6
203.14250	18.5
203.18007	2.7
205.15869	9.0
207.13710	18.3
209.13234	5.9
211.14819	7.6
213.12622	2.3
213.16277	3.6
215.14238	15.3
215.17941	3.9
217.15843	6.9
219.13783	7.8
219.17192	5.0
221.15294	3.7
227.17929	3.7
229.15808	8.2
229.19366	1.9
233.15317	6.9
237.14751	7.3
246.24115	3.8
253.15782	1.8
255.21008	2.2
265.19485	1.7
269.22430	1.8
327.23151	1.8
351.23175	1.9
393.31503	1.9
403.29874	7.2
405.31479	1.9
409.30981	7.2
419.29257	2.8
421.30826	21.8
423.32486	6.8
427.31680	2.4
437.30347	1.9
439.31891	40.9
440.31903	2.4
441.33221	11.9
449.30441	2.9
455.31384	2.3
456.31628	3.2
457.32932	39.1
459.34464	2.5
466.01657	2.0
467.31390	23.7
475.33850	2.7
485.32486	39.1
503.33420	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	699.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01871	0.5
55.05501	0.9
57.03415	2.6
58.48618	0.5
59.04971	0.6
61.02908	4.8
64.53805	0.4
67.05482	3.9
69.03412	3.1
69.07042	2.1
71.04946	1.0
73.02885	3.5
76.80908	0.5
79.05468	4.1
81.03380	3.9
81.07034	4.2
83.04961	2.0
83.08594	1.2
85.02869	4.8
91.03921	3.5
91.05423	3.9
92.08636	2.3
93.06986	5.3
95.04935	2.6
95.08562	2.3
97.02859	4.8
97.06485	0.8
97.10155	0.7
101.02352	1.0
105.07014	2.8
107.08573	3.6
111.71156	0.5
117.06944	0.7
119.08542	2.6
121.10123	2.4
127.03892	1.2
129.07005	0.6
131.08554	2.3
133.10104	1.2
135.11604	5.1
144.24283	0.5
145.02829	0.6
145.10080	1.0
147.11700	1.1
149.09607	2.8
157.10097	0.6
163.11157	1.0
175.11128	1.1
181.12247	0.8
186.47054	0.6
193.12181	1.2
208.50801	0.6
243.08357	1.2
267.15918	0.7
283.15021	3.7
284.31824	0.5
332.21201	0.5
337.48154	0.6
339.17639	1.3
361.03397	0.7
439.19272	11.6
501.22934	13.5
699.35382	100.0
700.35938	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20551	0.6
61.51117	0.4
66.46529	0.5
85.19735	0.5
89.89193	0.5
91.05446	0.5
93.07049	0.6
101.74435	0.5
168.64238	0.5
169.54482	0.5
182.84360	0.5
185.04138	0.7
190.43974	0.5
195.60025	0.5
199.47687	0.6
273.02274	0.5
347.09665	1.0
358.84018	0.5
469.71466	0.6
537.30182	24.8
651.17371	0.6
699.35352	100.0
700.35419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.0
55.05489	13.8
57.03410	2.0
57.07051	2.1
59.04969	0.9
61.02895	1.9
67.05470	12.6
69.03397	5.7
69.07043	17.5
70.15592	0.8
71.04952	3.9
72.59696	0.7
79.05461	22.4
81.03365	5.5
81.07022	35.4
83.04929	7.7
83.08593	11.3
85.02872	14.9
85.06517	1.6
91.05436	22.2
93.07004	40.5
95.04916	3.6
95.08564	43.7
96.07087	0.9
96.85416	0.8
97.02846	5.5
97.06483	3.8
97.10121	3.7
99.04973	1.0
99.08042	9.7
101.05997	1.5
103.42329	1.0
105.06998	41.1
106.33347	0.9
107.04922	1.0
107.08556	91.1
109.02800	1.0
109.06474	6.0
109.10126	23.0
111.04382	1.1
111.08044	7.7
117.06950	8.7
119.08533	100.0
121.06443	4.4
121.10099	38.7
123.08023	8.8
123.11655	9.4
123.24948	0.9
125.05959	1.4
125.09672	1.0
127.03862	1.5
129.06970	5.8
130.07768	1.3
131.08513	35.8
133.06436	1.7
133.10081	50.9
135.08009	17.1
135.11630	19.5
137.09555	3.9
137.13223	1.5
142.07681	1.1
143.08501	17.4
144.09291	1.5
145.06415	1.4
145.10066	54.0
147.08020	5.3
147.10480	1.3
147.11632	33.0
149.09599	7.7
149.13210	13.3
151.07504	1.3
155.08508	5.7
156.09270	3.9
157.10075	21.9
158.10860	1.8
159.07974	6.0
159.11627	36.6
159.12961	1.4
161.09546	13.1
161.13196	33.4
163.07510	1.3
163.11145	4.1
163.14761	24.5
167.07104	1.1
169.10031	6.4
170.10838	1.5
171.07990	1.2
171.11623	20.8
172.12312	1.3
173.09566	7.1
173.13188	26.3
175.11111	11.6
175.14742	17.7
177.09021	1.3
177.12695	6.5
177.16289	6.8
179.14227	9.1
181.10066	1.5
182.10875	1.3
183.11624	11.4
185.09608	1.9
185.13165	15.3
187.11131	7.4
187.14745	58.8
189.12666	12.7
189.16298	15.0
191.14249	8.1
191.17900	1.2
193.12170	2.0
195.11617	4.9
197.13130	9.7
199.11147	4.6
199.14723	12.0
201.12711	7.3
201.14662	1.3
201.16319	12.2
203.10609	1.1
203.14226	11.6
203.17899	5.0
205.15814	19.7
207.13765	1.3
209.13217	3.8
211.14754	8.7
213.12741	3.7
213.16301	10.5
215.14224	18.6
215.17888	5.6
217.12198	1.1
217.15762	6.1
219.17381	1.3
221.13232	1.9
221.15294	2.0
223.14735	3.3
225.16301	6.0
227.14227	4.8
227.17911	1.8
228.88910	1.0
229.15782	10.8
229.19344	1.7
231.13707	1.7
231.17332	2.3
233.15367	7.8
235.14738	1.3
239.17871	1.8
241.15674	3.7
241.19696	1.1
243.17390	4.3
245.15268	5.9
247.16954	1.6
251.18030	1.5
253.16019	1.2
253.19392	1.3
257.18625	1.3
259.16833	5.0
259.20184	1.1
261.18451	5.8
263.17938	1.8
267.21051	1.3
273.18472	1.3
281.19006	1.3
281.22314	1.1
321.25763	1.5
323.23380	1.1
327.23251	1.2
337.25153	1.4
339.26968	1.3
347.23862	1.4
349.25046	5.3
351.23041	3.2
353.24664	1.7
367.26160	4.8
371.25461	1.9
385.27551	1.2
391.29846	2.1
393.31250	3.7
403.29788	10.3
405.31201	2.1
409.30908	4.0
411.32388	4.6
421.30865	36.0
423.32428	9.7
431.29028	1.6
437.30399	2.1
439.31903	50.2
439.37921	1.8
441.33719	10.3
449.30585	7.0
455.31274	2.0
457.32928	71.7
458.33414	1.5
459.27393	1.9
467.31454	44.4
475.33719	5.5
485.32498	30.6
503.33481	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20106	0.4
65.70978	0.4
83.04897	1.0
91.05416	0.9
111.04350	1.0
119.04845	3.1
135.04295	2.3
147.04361	10.4
148.04578	0.9
163.03825	8.1
164.04192	1.5
165.05420	0.6
169.02521	3.4
171.95909	0.5
179.03082	2.0
187.03590	0.6
187.80103	0.5
197.04131	3.5
215.05176	9.3
271.35559	0.5
315.08313	0.6
318.70847	0.6
332.72119	0.5
343.07727	5.1
343.47168	0.5
361.08774	100.0
362.09088	1.1
479.12698	0.9
507.12482	2.0
525.13275	1.7
635.17017	1.1
653.18060	0.8
681.17072	1.7
699.18652	35.9
700.19427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58086	0.4
53.03948	0.5
55.01851	0.6
55.05489	2.2
56.81910	0.5
57.03417	3.8
61.02903	5.3
67.05473	4.4
69.03402	3.9
69.07029	0.9
71.04967	5.0
73.02878	4.9
76.54991	0.5
76.74542	0.4
79.05463	4.4
81.03398	4.8
81.07016	3.8
83.04954	0.9
83.08595	0.7
85.02874	7.0
85.06510	0.6
91.03937	2.7
91.05434	5.5
93.07013	4.3
95.04945	2.1
95.08594	1.9
97.02847	4.3
97.06533	1.7
99.04417	0.5
99.08063	0.6
101.02371	2.2
105.07024	1.9
107.08569	2.3
109.02879	0.7
109.10155	3.8
119.08562	3.1
121.10117	1.2
123.11633	0.8
127.03880	1.8
129.06958	0.8
131.08556	0.6
133.10091	1.2
134.73883	0.5
135.11644	1.9
137.09604	2.1
145.10089	0.9
147.11676	2.1
157.10100	1.0
169.12292	0.6
173.11684	1.8
173.13150	0.5
177.05440	0.6
193.12161	0.9
243.08336	2.2
243.15843	0.9
251.12589	0.5
253.14034	0.9
287.05389	1.0
427.19196	0.6
469.20303	7.5
470.20834	0.7
471.21658	10.2
527.60822	0.7
698.33862	6.9
699.35303	100.0
700.35687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.35098	0.8
55.05490	7.5
57.03428	1.3
59.04986	1.1
61.02906	1.0
67.05479	10.9
69.03395	5.6
69.07034	11.5
71.04964	1.4
79.05460	21.8
81.03388	11.7
81.07032	18.3
82.03702	1.6
82.70033	0.9
83.04951	6.3
83.08600	4.3
85.02874	11.6
85.06519	4.1
86.09698	1.0
91.05437	20.2
93.07011	26.6
93.54286	0.9
95.04933	4.9
95.08569	24.4
97.02867	2.1
97.06490	1.5
99.04382	1.0
99.08047	13.2
101.06019	1.4
105.06994	32.5
107.08556	100.0
109.06491	3.7
109.10121	11.9
111.04413	1.0
111.08004	1.0
117.06995	7.0
119.08537	77.2
120.08931	1.1
121.06461	4.6
121.10105	22.2
123.08009	4.7
123.11693	6.6
129.06975	5.4
131.08510	34.6
133.06454	1.4
133.09073	1.6
133.10080	44.4
135.04309	1.3
135.07974	8.1
135.11650	11.4
137.09578	2.1
137.45125	0.9
142.07736	1.9
143.08537	12.3
145.06354	1.4
145.10074	33.9
147.08028	5.3
147.11632	19.4
149.09573	4.2
149.13206	5.7
155.08517	4.2
156.09320	1.5
157.10094	14.7
158.10849	2.3
159.08015	4.5
159.11629	24.7
161.09599	8.1
161.13185	28.6
163.03844	3.9
163.11128	1.3
163.14755	7.4
165.12816	0.9
169.10054	8.1
170.10922	2.1
171.11618	12.8
172.04895	0.9
173.09575	3.8
173.13188	22.3
175.11136	5.5
175.14708	10.1
177.09097	1.0
177.12634	3.5
177.16301	2.2
179.14247	14.5
181.10158	4.4
182.10760	1.5
183.11635	8.6
185.09589	1.4
185.13194	15.5
187.11128	4.3
187.14751	40.6
189.12704	5.9
189.16304	7.4
191.14207	7.0
193.10287	1.1
193.12163	1.7
195.11646	6.1
197.13242	7.9
199.11124	1.9
199.14717	8.8
201.12709	4.0
201.16318	7.9
203.14243	9.2
205.15826	6.4
207.11673	1.6
209.13132	4.4
211.14807	9.0
213.12823	1.1
213.16379	7.6
215.14200	6.9
217.15871	2.1
219.11795	1.1
221.13205	2.0
223.14767	2.3
225.16350	3.7
227.14323	2.3
227.17853	1.3
229.15773	7.3
231.13760	2.0
231.17244	1.6
233.13264	1.4
233.15405	3.6
235.14745	2.0
237.16354	1.2
239.17886	1.7
241.15842	4.1
243.17325	1.0
245.15251	2.0
249.16447	1.8
251.17880	2.3
253.15755	1.1
253.19456	3.7
255.17441	1.8
259.16861	4.3
263.18097	1.1
265.19489	1.7
267.17334	1.8
281.18896	1.0
297.18423	5.2
305.18933	1.3
315.19629	1.1
323.23541	1.8
335.23404	4.1
347.23578	1.3
349.25208	1.1
355.25912	1.0
365.24597	5.9
367.26028	4.5
383.25684	10.6
385.27069	3.5
391.29791	2.1
393.31436	1.9
395.29236	2.2
403.29794	5.9
407.29013	1.4
409.30609	3.8
411.32419	1.7
419.24100	1.7
419.29147	10.8
421.25555	1.1
421.30884	20.7
437.30453	12.5
439.26093	1.8
439.31924	51.0
439.37961	1.8
450.25558	1.1
455.31372	82.0
457.32922	19.8
465.29675	5.3
473.32788	1.1
483.30914	8.5
501.31750	2.3
568.14069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
54.07039	0.2
55.01852	0.7
55.05494	1.9
56.04548	0.3
57.03420	3.5
61.02904	6.4
67.05481	6.1
69.03400	3.6
69.07036	1.4
71.01316	0.4
71.04966	2.2
73.02891	3.8
79.05447	3.5
81.03397	4.7
81.07022	7.9
82.07379	0.4
83.04964	1.9
83.08595	1.4
84.08926	0.4
84.95241	0.3
85.02869	7.4
85.06531	0.4
87.09576	0.3
89.02274	0.3
91.03909	3.1
91.05434	4.7
93.07008	3.8
95.04919	3.1
95.08588	2.0
97.02853	4.0
97.06504	0.7
99.04439	0.8
99.08062	0.5
101.02354	2.0
105.06992	4.3
107.04906	0.6
107.08568	2.1
109.06499	0.7
109.10130	2.7
110.10442	0.5
119.08504	4.1
121.10106	2.9
123.08011	0.4
123.11705	2.0
127.03873	2.5
129.07007	0.6
131.08543	0.4
133.10117	1.6
135.11694	0.7
139.72556	0.3
145.02806	0.6
145.10104	0.3
147.11649	7.0
149.09680	0.7
157.10104	1.6
161.67313	0.3
163.11127	0.5
165.12721	2.3
175.11119	0.8
185.04242	0.7
193.12292	1.6
194.12373	0.5
203.05252	0.7
211.13280	1.5
243.08354	2.0
251.12602	2.8
267.15872	0.4
269.12296	1.8
285.16855	1.6
305.27731	0.4
307.15189	0.8
417.13403	0.4
441.27740	0.6
469.20193	17.7
499.31216	0.6
535.28455	0.4
696.32306	0.8
697.33789	100.0
698.34088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	1.9
61.02905	6.1
67.05478	7.9
69.03402	2.5
72.45890	1.3
73.02888	3.7
75.35468	1.5
75.73759	1.3
77.41945	1.5
79.05458	2.4
81.07035	13.9
85.02859	6.9
91.03940	2.6
91.05461	1.7
93.07011	2.7
95.08588	4.0
97.02874	6.3
101.02396	1.9
105.07001	6.9
107.08575	2.1
119.08542	8.2
121.10133	5.8
123.11685	2.3
135.11568	1.7
147.11639	13.1
159.77025	1.9
165.12744	1.8
168.95621	1.5
232.15717	1.8
269.12354	9.8
275.85049	1.5
285.16861	1.9
287.13376	2.5
325.14990	2.8
469.20026	20.2
517.35803	2.0
651.33655	3.0
697.21600	3.4
697.33740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
53.24706	0.9
55.01860	1.5
55.05494	5.2
55.24261	0.9
57.03411	1.9
59.49378	0.9
61.02918	1.2
65.03914	7.8
67.05483	14.2
69.03407	41.9
76.08868	1.2
83.04949	59.4
85.02871	27.8
87.00800	2.4
87.04456	1.6
91.05468	2.6
93.03367	27.6
93.07106	1.1
95.04933	48.6
97.02882	8.8
99.00786	13.3
104.98814	1.2
107.04926	6.5
109.02869	4.7
111.04410	100.0
115.03927	1.4
117.03291	2.0
119.04896	10.5
121.02828	15.6
127.03884	1.2
129.05434	58.8
135.04346	7.9
139.03854	37.9
145.02805	4.5
147.04399	4.4
147.06468	33.9
147.07535	1.9
157.04907	35.8
163.03859	19.5
165.06987	5.1
175.05937	15.2
181.04901	1.2
183.07990	11.6
193.07019	66.1
207.08093	5.9
211.07513	2.7
229.08459	12.2
235.07440	10.3
253.08427	4.3
263.06943	22.0
267.27542	1.1
273.05878	14.2
281.07898	10.0
284.90555	1.1
291.06482	1.7
309.07568	7.2
327.08923	1.5
481.09088	1.2
483.12643	2.8
626.00549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05490	2.6
57.03413	2.4
59.30458	0.5
61.02904	7.1
63.27681	0.6
67.05478	4.1
69.03402	2.7
69.07053	1.5
71.04961	1.4
73.02888	3.5
74.68119	0.5
79.05457	4.3
81.03380	7.7
81.07017	4.3
83.04958	2.8
83.08583	2.9
85.02870	8.7
89.95089	0.6
91.03920	2.9
91.05438	5.5
93.07011	4.5
95.04945	3.3
95.08582	2.4
97.02845	4.2
97.06496	0.7
101.02380	1.4
105.07012	2.7
107.04891	0.9
107.08582	2.9
109.06442	0.8
109.10140	1.2
111.08038	1.0
119.08552	3.5
121.10115	1.0
123.08005	0.7
127.03909	1.0
129.06981	1.2
131.08543	1.1
133.10095	2.8
145.10126	1.0
147.11656	2.9
157.10094	1.2
157.67215	0.6
174.39685	0.7
175.11148	2.8
193.12262	5.0
211.13263	1.5
215.83601	0.7
241.77180	0.7
243.08418	4.0
251.12393	4.4
275.26648	0.6
287.23264	0.6
290.76569	0.7
307.15030	1.3
323.65305	0.7
469.20248	20.2
499.30695	1.0
535.28284	0.7
696.32379	4.9
697.33759	100.0
698.34998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.2
53.03929	0.9
55.01849	0.3
55.05499	1.4
57.03421	3.2
61.02902	6.2
67.05486	3.0
69.03407	3.6
69.07042	1.1
71.01317	0.3
71.04980	1.2
73.02889	4.5
73.05981	0.2
74.16852	0.2
78.79585	0.2
79.05455	2.8
81.03388	7.5
81.07031	3.7
83.04967	2.0
83.08602	1.6
85.02877	9.1
85.06532	0.2
87.04444	0.7
91.03926	4.0
91.05448	5.0
93.07011	3.1
95.04939	3.2
95.08553	1.7
97.02861	4.8
97.06501	0.2
97.10143	0.2
99.04428	1.1
101.02352	2.4
103.03944	0.3
105.06997	3.4
107.04935	1.0
107.08572	1.4
109.02824	1.3
109.06493	0.3
109.10144	0.2
111.04398	0.4
111.08061	0.9
113.05949	0.3
115.03918	0.8
117.06983	0.4
119.08553	2.4
121.10109	1.2
127.03896	1.7
129.06955	2.1
131.08511	1.9
133.06483	0.4
133.10085	2.3
135.11644	0.2
142.07788	0.3
145.10165	0.3
147.08031	0.3
147.11658	2.4
149.09601	1.2
157.10078	2.3
164.52354	0.2
165.12784	0.3
172.21552	0.2
175.11150	2.2
177.50504	0.2
185.04237	0.5
193.12209	3.3
203.05295	0.2
207.21410	0.2
211.13152	1.6
243.08304	2.9
251.12537	2.6
277.09409	0.2
285.09787	0.3
285.16956	1.0
307.15155	1.3
469.20282	17.5
480.16180	0.2
535.28278	0.2
645.46259	0.2
697.33832	100.0
698.34052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.0
53.03926	1.6
55.05494	9.3
56.02927	0.8
57.03410	1.2
57.07057	25.6
67.05484	14.7
69.03386	0.9
69.07040	7.0
71.04958	0.9
71.08607	18.5
73.02872	0.9
79.05458	9.1
81.03387	43.0
81.07028	18.1
83.04945	3.3
83.08588	17.5
85.10141	8.4
91.05450	10.5
92.08711	1.3
93.07011	5.8
95.04927	10.3
95.08569	14.4
97.10125	4.4
98.98370	1.0
101.25038	1.0
105.07000	6.8
107.04922	2.2
107.08575	2.1
109.06477	3.3
109.10110	8.2
111.08045	1.7
117.07002	1.7
119.08539	8.2
121.10125	3.7
129.06956	5.5
131.08522	4.8
133.06439	1.3
133.10031	1.5
137.09564	1.0
147.08035	1.4
147.11624	3.4
149.09557	3.7
157.10077	4.0
175.11156	4.7
193.12199	7.9
236.16364	5.7
267.15875	2.1
282.27780	1.2
294.50415	0.9
313.27597	1.0
440.02991	1.1
505.38669	100.0
506.38806	2.1
507.36465	4.8
524.39923	5.1
646.40826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	16.3
59.11982	2.5
61.02910	3.2
61.82570	3.1
65.03917	3.6
67.05473	11.2
69.03395	12.6
73.02867	3.1
83.04949	18.7
84.05242	2.9
85.02874	21.8
91.05447	14.0
93.03366	12.0
95.04932	10.1
97.02833	10.2
99.00807	3.5
107.04906	6.3
111.04400	27.3
112.04787	3.8
115.03962	2.9
115.17210	2.6
119.04862	19.1
121.02821	68.6
123.04388	32.9
123.39331	2.6
129.05414	12.0
135.04355	11.4
137.02281	2.8
137.05960	20.4
139.03867	65.1
140.04193	5.0
143.75510	3.1
145.02815	12.9
147.04378	22.6
151.03871	3.4
151.07510	3.8
157.04898	3.9
161.05928	4.5
163.03871	15.3
165.05400	6.4
167.07001	4.9
179.07004	15.8
189.05371	4.1
195.02898	6.5
203.03337	18.6
207.02811	10.6
209.15448	4.1
215.03340	11.5
217.04990	5.1
221.04356	5.6
227.09312	3.3
231.02856	4.3
233.04301	4.3
243.02843	10.0
245.04335	36.7
257.04486	3.7
271.09506	12.3
273.03760	3.8
279.06393	5.8
280.06949	3.4
281.08136	4.4
283.05878	5.8
287.05438	17.7
291.08514	6.3
293.07852	5.0
294.05093	16.9
295.05878	94.7
296.06766	4.0
297.07559	9.0
300.96942	2.9
307.05920	72.7
308.06570	23.9
309.04395	3.6
309.07510	27.9
313.07065	5.1
317.07968	3.4
319.05774	5.7
320.06631	10.9
321.07434	88.5
322.04599	2.9
322.08173	10.2
323.05286	12.6
323.09082	11.2
325.06961	69.7
331.05783	3.8
333.07376	39.2
334.08331	11.5
335.05402	6.8
335.09045	32.1
336.05939	4.2
337.06906	72.8
339.08502	5.9
341.06555	3.5
345.07431	25.1
346.08221	4.7
347.09030	15.3
349.06885	72.5
349.10901	3.6
351.08508	30.8
355.07813	3.6
359.09018	5.8
361.06927	39.0
363.08475	43.8
365.06445	3.4
367.07965	15.2
373.06833	22.9
375.08496	20.8
379.07941	100.0
387.08487	15.3
389.10059	4.3
391.07932	96.9
393.09714	6.2
397.08917	4.2
399.08652	6.1
403.07846	25.7
405.09567	18.5
409.09009	45.3
415.08047	17.0
417.09546	12.3
421.09067	10.3
427.10153	20.3
433.08911	61.0
435.10437	3.2
445.08881	32.7
449.11691	3.8
451.10156	20.9
463.10159	21.0
469.11200	6.2
481.11218	54.5
499.11969	10.7
517.13092	5.9
541.13190	14.0
549.93573	3.2
559.13928	25.2
571.14160	28.2
589.15479	29.7
607.15863	13.5
613.14771	12.9
631.16272	53.8
643.16272	71.8
661.17462	95.8
679.18530	43.8
697.18872	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	695.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69194	0.5
55.01854	0.8
55.05492	2.6
57.03414	2.3
59.89717	0.5
61.02900	6.4
62.57215	0.5
67.05486	5.0
69.03404	3.7
71.04972	1.0
73.02882	3.9
79.05460	3.0
81.03373	7.0
81.07031	2.4
83.04959	2.1
83.08611	2.4
85.02887	7.5
91.03924	3.5
91.05453	3.6
93.07014	3.6
95.04936	2.0
95.08580	2.1
97.02844	6.4
97.06460	0.6
98.35590	0.6
99.04436	0.9
101.02359	2.2
105.07008	3.4
107.08599	1.0
109.02845	0.9
109.06492	0.7
109.10134	1.9
115.03875	0.5
119.08533	2.9
121.06516	0.6
121.10100	1.3
127.03887	0.9
129.06963	0.8
131.08476	1.0
133.10094	1.3
134.96181	0.6
135.11661	1.1
145.10136	1.2
147.08061	0.5
147.11678	2.4
157.10097	1.1
163.11148	2.3
167.11559	0.6
175.11082	1.1
184.07266	0.7
186.29144	0.5
193.12238	2.9
196.30225	0.5
201.93903	0.6
209.11783	0.5
209.67030	0.5
211.13406	0.6
215.81557	0.6
243.08353	3.5
251.12503	0.7
271.54388	0.5
285.17218	0.7
315.50549	0.5
332.98465	0.6
467.18808	7.8
469.20200	9.6
485.81851	0.6
497.31046	0.9
580.73859	0.6
695.32214	100.0
696.32788	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	695.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80630	0.7
55.05481	1.4
56.96556	0.8
57.03409	5.0
60.29830	0.6
61.02901	4.8
67.05478	7.6
69.03402	1.8
69.07032	1.5
69.11362	0.7
73.02901	3.5
79.05457	4.7
81.03387	5.9
81.07027	10.9
83.04951	3.4
83.08596	3.1
85.02878	6.8
91.03925	4.2
91.05450	4.4
93.07012	4.9
93.14104	0.8
95.04927	1.6
95.08582	3.1
97.02857	6.7
101.02334	1.2
105.06993	5.7
107.04937	1.4
107.08574	4.5
109.06511	1.1
109.10130	1.4
112.49286	0.8
117.06976	1.2
119.08538	3.1
121.10107	4.5
127.03903	0.9
131.08572	1.2
133.10097	1.9
135.11682	1.3
145.10092	1.5
147.11606	5.9
163.11150	4.0
165.75017	1.0
169.20409	0.8
184.07254	1.5
187.70621	0.8
193.12216	1.4
239.23505	0.9
243.08344	1.4
243.40817	0.8
251.12531	1.7
281.10373	0.8
283.15253	1.2
327.59628	0.9
348.00681	0.9
461.28973	1.1
467.18738	7.5
469.20288	8.8
479.29858	1.7
480.30420	1.7
559.41925	0.9
695.32202	100.0
696.32654	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	695.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.8
55.01863	1.4
55.05496	7.4
56.88095	1.3
57.03417	6.7
57.07052	3.2
61.02895	2.6
67.05487	35.2
69.03379	2.0
69.07041	11.5
71.04976	2.0
71.08607	2.9
71.49763	1.6
76.54498	1.8
79.05467	20.8
80.05795	1.5
81.03373	2.0
81.07030	22.3
82.07372	2.1
83.08597	3.6
85.02891	2.7
91.05437	15.2
93.07012	21.9
95.04928	2.5
95.08572	16.6
96.07452	1.6
97.02862	3.9
97.06508	3.1
97.10154	1.7
105.06995	10.9
107.08549	17.8
109.10124	13.9
111.08006	1.8
119.08546	8.2
121.10108	7.3
131.08591	2.1
133.10114	4.1
135.11656	7.6
141.03818	1.7
145.10114	3.3
229.14267	3.7
304.99570	2.4
335.25668	4.0
423.34338	1.9
439.19345	9.5
497.30634	7.5
508.78082	1.7
529.38660	12.7
530.39221	7.3
569.41809	6.1
570.42963	2.5
575.93951	1.9
610.45679	2.3
695.43103	100.0
727.86243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36008	1.9
55.62273	1.8
55.65021	2.0
56.70117	2.1
57.07060	54.2
62.21649	2.1
87.63956	2.9
91.05429	3.0
92.08658	6.6
93.76877	2.2
95.69501	2.9
109.21590	2.6
147.11580	4.7
160.91702	2.6
185.15201	2.5
251.04610	10.9
327.07672	100.0
383.09210	4.2
383.13937	47.9
439.20255	80.4
439.25766	3.4
495.26440	67.4
551.32251	14.3
607.29388	2.8
607.38947	61.4
663.45056	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22289	4.5
55.05493	31.1
57.03414	12.3
57.07057	5.3
58.30512	3.8
64.33121	4.7
64.62329	4.2
67.05486	100.0
69.07037	25.5
71.08592	5.6
76.61095	4.1
79.05468	50.1
81.07032	80.2
83.08605	11.8
83.10947	4.8
91.05425	36.2
92.51198	5.2
93.06995	75.8
93.39029	4.5
95.04934	6.8
95.08554	50.4
97.06519	6.7
97.10143	5.7
105.07008	29.1
107.08565	31.9
109.10115	32.5
115.29398	5.4
117.06977	9.6
119.08554	26.1
121.10124	27.1
125.09606	6.2
129.06940	6.7
131.08589	21.3
133.10106	23.2
135.11664	21.5
143.08615	7.1
145.10092	9.2
147.11679	7.2
149.13171	6.0
159.11665	7.5
187.14888	5.1
223.15057	4.8
227.76451	5.0
229.14259	24.1
253.94870	5.9
278.08768	6.1
335.25629	35.5
339.34302	5.3
460.82944	6.7
489.35507	26.3
497.16855	6.3
529.38831	59.8
569.41412	55.4
609.44977	12.2
617.30249	5.3
621.86871	5.9
695.42755	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	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
54.80870	0.7
55.01853	3.1
55.05492	12.0
57.03420	22.2
57.07054	0.8
61.02900	3.4
64.66746	0.6
65.03918	1.2
67.05482	37.8
69.03398	2.9
69.07045	11.0
70.07362	0.7
71.01326	3.6
71.04971	5.7
72.41016	0.6
73.02891	1.1
73.44042	0.6
79.05087	0.5
79.05460	34.7
81.03387	71.4
81.07025	24.5
83.04950	13.7
83.08588	15.9
84.95964	0.6
85.02877	3.7
85.06499	3.2
91.03942	0.9
91.05450	21.8
93.07005	44.1
95.04933	23.8
95.08575	9.2
97.02861	3.2
97.06500	9.0
97.10135	9.6
97.74806	0.7
99.08089	1.0
101.23847	0.6
103.05396	0.8
104.49511	0.6
105.06996	14.0
107.04927	6.8
107.08561	28.4
109.06491	3.7
109.10138	6.6
111.04417	2.2
111.08044	6.1
117.06971	5.0
119.04932	0.7
119.08543	15.8
121.06467	3.1
121.10099	8.5
123.04388	0.8
123.08036	1.2
123.11707	0.8
125.09606	1.0
125.67194	0.6
129.06950	8.4
131.08521	8.0
133.06422	1.4
133.10083	8.7
135.08031	1.2
135.11647	38.7
137.09605	1.4
142.07748	3.1
145.10072	8.9
147.04353	0.8
147.08009	2.9
147.11650	6.7
149.09592	3.3
153.12726	0.9
157.10068	8.7
163.11156	5.6
165.12610	0.9
175.11136	8.3
181.12180	6.8
193.12163	17.4
211.13261	1.4
213.12846	0.7
215.89369	0.7
249.14784	0.9
255.15816	51.9
267.15802	39.3
269.17291	0.9
285.16861	0.9
403.24438	0.9
421.25797	7.7
429.25778	0.9
447.27267	100.0
448.27393	1.0
465.28195	3.8
479.29758	3.4
489.28232	1.2
694.30853	7.7
695.32404	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	694.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87406	0.8
53.03917	1.4
55.01847	1.1
55.05490	19.3
57.03414	7.6
57.07053	5.2
59.70757	0.6
61.02898	42.9
64.32845	0.8
65.03899	0.9
67.05476	89.1
69.03402	6.5
69.07035	16.3
70.39189	0.6
71.04957	3.5
71.08591	1.2
73.02885	15.6
79.05453	61.4
81.03391	3.2
81.07018	100.0
83.04948	0.8
83.08578	10.9
83.30331	0.8
85.02866	52.1
85.06516	3.8
87.04449	0.9
91.03918	40.3
91.05436	31.5
92.08661	1.4
93.06522	1.1
93.07001	83.7
95.04919	6.3
95.08563	83.7
95.89699	0.7
97.02848	26.7
97.06509	4.1
97.10126	3.1
99.04433	1.1
99.08062	4.5
105.06983	28.7
107.08553	58.2
109.06437	1.5
109.10117	41.4
111.08029	3.1
113.09597	1.1
115.03883	3.6
117.06965	13.0
119.04883	4.6
119.08534	26.3
121.10091	49.8
123.08012	1.9
123.11654	18.2
125.09583	1.5
127.03864	11.0
131.08507	30.6
133.10081	23.6
135.08025	0.9
135.11630	42.8
137.09552	1.4
137.13226	6.1
139.11154	1.7
143.08492	1.3
144.73289	0.9
145.04897	14.4
145.10072	22.9
147.04349	15.0
147.11620	17.5
148.04698	1.9
149.09601	1.5
149.13202	30.7
151.11096	1.3
151.14796	1.8
153.12666	1.1
157.10074	1.6
159.11597	21.1
161.13184	16.1
163.05957	19.5
163.14754	19.0
165.05382	1.2
165.12720	3.2
168.08510	0.8
171.11617	0.8
173.11693	0.9
173.13181	24.7
175.14771	5.0
175.59843	0.8
177.12695	0.8
177.16281	6.1
185.13284	1.0
187.14746	13.8
187.79723	0.9
191.14258	1.4
197.13243	1.2
199.14798	1.2
201.16376	4.3
205.15839	3.5
215.17912	1.2
219.17494	1.3
233.22585	3.9
243.20975	31.8
261.22012	97.5
263.23499	3.0
279.23065	3.3
335.25665	17.6
353.26724	64.0
363.60196	1.0
670.37292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.6
53.03926	1.6
54.80719	0.6
55.01847	3.9
55.05244	1.0
55.05494	19.3
57.03159	0.8
57.03418	17.3
57.07047	1.2
57.96467	0.6
59.04976	5.0
61.02900	7.3
65.03905	1.6
67.05479	100.0
69.03399	6.9
69.07037	17.5
71.04568	1.3
71.04961	32.7
73.02876	3.5
79.05457	37.7
81.03382	52.2
81.07022	52.4
82.03699	0.9
82.07338	1.3
82.24808	0.6
83.04481	0.7
83.04954	20.8
83.08129	1.3
83.08588	24.0
84.08900	0.8
85.02370	1.0
85.02869	30.6
85.06508	6.6
86.09669	4.0
87.04399	1.0
89.05971	1.4
89.49612	0.6
91.03919	1.7
91.05442	45.2
92.05763	1.2
92.08698	1.1
92.19395	0.7
93.06418	1.4
93.07005	36.7
95.04931	26.5
95.08561	21.0
96.08914	1.1
97.02862	7.2
97.06493	9.6
97.10114	3.9
99.04389	1.5
99.08036	4.7
101.05928	0.7
103.05466	0.8
105.06997	31.8
106.07277	0.8
107.04913	8.4
107.08559	18.5
108.08815	0.6
109.06481	7.9
109.10117	70.6
111.04397	4.7
111.08046	15.0
113.05962	1.4
115.05423	0.9
117.06973	4.3
118.36455	0.7
119.08535	34.0
120.08835	1.4
121.06469	4.7
121.10103	15.9
122.10386	0.8
123.08012	4.7
123.11649	4.4
124.12023	0.8
124.99918	3.5
125.09583	2.7
127.07457	0.7
129.06961	10.5
131.08513	12.0
133.06458	2.8
133.10081	13.7
135.08023	1.5
135.11630	12.6
137.09564	13.3
142.07730	3.1
145.10083	6.8
147.07970	3.6
147.11638	19.3
148.11971	4.1
149.09573	6.8
151.11168	1.4
155.10526	0.9
157.10095	15.4
158.10371	1.3
159.11623	1.0
163.11104	4.6
165.12682	4.6
169.12157	1.0
173.11650	11.2
175.11111	11.6
181.12117	3.1
184.07249	11.2
193.12158	32.6
194.12474	1.5
211.13234	26.8
212.13541	3.1
229.14267	2.9
239.16313	1.2
243.15878	1.6
255.15845	7.4
267.15799	16.4
268.16110	6.1
269.17279	1.4
285.16846	19.6
286.17184	5.0
287.18436	16.0
329.20786	1.0
421.25705	20.4
439.26712	47.7
447.27167	32.9
453.28467	7.7
461.28726	2.5
465.28253	44.4
478.28372	1.3
479.29666	6.1
495.29080	2.8
496.29620	4.7
497.30835	41.2
498.31207	0.8
694.31421	5.1
695.32037	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	694.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.4
55.05494	5.1
57.03413	0.8
58.49860	0.3
65.03915	10.5
67.05480	14.6
68.99773	1.0
69.03037	0.5
69.03406	11.9
72.74453	0.6
83.04951	60.5
85.02875	21.4
87.04427	1.9
91.05440	9.4
93.03368	35.0
95.04915	5.1
97.02862	1.0
99.00748	3.7
101.05956	0.5
107.04914	1.8
111.04406	100.0
114.34898	0.4
114.80373	0.4
115.03892	2.5
117.01841	0.8
119.04894	24.6
120.05710	0.5
121.02825	17.0
127.03886	0.5
129.05431	47.4
136.51018	0.4
139.03856	49.5
147.04362	48.6
147.06270	0.9
150.99551	0.4
157.04909	40.8
163.03821	0.9
175.05951	43.3
177.06952	0.6
195.08015	0.6
212.08281	0.7
213.09016	4.7
219.07921	0.4
230.91393	0.5
237.09026	0.7
265.08481	1.0
267.76035	0.5
271.83698	0.4
273.05948	25.0
293.07932	1.8
321.09674	0.9
326.37134	0.5
356.69876	0.5
447.11200	6.6
467.13065	2.8
485.14203	2.5
693.50848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01862	0.4
55.05494	4.7
56.94417	0.3
65.03915	9.2
67.05480	14.8
68.46849	0.3
68.99776	0.9
69.03406	10.6
71.82677	0.4
73.42969	0.3
77.34688	0.4
83.04948	59.2
85.02365	0.9
85.02872	20.2
87.04426	2.3
91.05446	11.9
92.08770	0.4
93.03365	36.5
94.96081	0.3
95.04921	4.9
99.00775	4.2
101.05994	0.4
107.04906	2.0
111.04404	100.0
115.03876	2.5
117.01810	0.4
119.04897	30.0
121.02822	18.7
129.05432	47.1
139.03853	55.0
147.04362	77.5
157.04907	44.8
167.08440	0.6
175.05951	44.9
189.44865	0.5
195.03062	0.4
213.09007	5.8
219.08125	0.4
235.07458	0.5
237.09010	1.8
247.07397	0.8
260.97659	0.4
265.08524	0.7
273.05936	22.4
291.07001	0.6
293.07913	2.7
321.09323	2.8
349.25113	0.4
447.11194	8.3
450.28229	0.4
467.13190	3.1
485.13959	2.5
544.73187	0.4
659.17908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62526	0.4
55.05490	3.7
57.03416	0.8
65.03915	10.3
67.05477	15.2
68.17928	0.4
68.99775	1.1
69.03404	10.5
69.09330	0.5
72.21001	0.4
83.04949	65.5
83.90688	0.5
85.02877	23.3
87.04439	2.1
91.05437	8.3
93.03367	37.8
95.04925	6.2
99.00795	4.1
101.05946	0.6
107.04905	1.9
111.04405	100.0
113.02374	0.7
115.03922	2.0
117.01775	0.6
119.04899	20.1
120.05710	0.6
121.02817	19.8
129.05432	47.8
139.03853	57.9
143.70708	0.5
147.04362	42.1
157.04913	41.2
163.03815	0.7
167.08591	0.6
175.05956	42.0
195.08044	0.7
207.85582	0.6
213.09030	7.4
237.09047	1.1
265.08609	0.7
273.05948	23.1
293.07886	2.3
329.68311	0.5
339.10770	2.1
447.11081	9.0
467.13306	0.7
485.14072	1.1
659.19104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05249	1.6
55.05496	33.1
55.22951	1.2
57.03411	3.1
57.07051	13.8
67.05486	16.9
68.65250	1.4
69.07043	31.1
71.04963	2.4
71.08595	8.9
79.05459	12.7
81.07030	56.6
83.04929	1.7
83.08590	22.9
85.06503	2.7
85.10120	2.2
90.89901	1.3
91.05434	14.6
93.07005	9.4
95.08578	15.6
97.06495	1.9
97.10115	10.2
98.98437	3.2
99.08025	1.6
105.06973	21.3
107.08534	6.1
109.10163	1.7
111.11687	2.1
119.08529	17.8
121.10119	12.3
122.92345	1.4
123.08002	2.0
123.11682	15.3
131.08490	1.4
147.11653	26.5
153.04179	1.4
165.12688	9.3
195.39319	1.6
212.33319	1.6
238.08015	1.7
267.15814	18.7
311.25800	2.6
448.15775	1.6
521.38232	100.0
693.41638	7.2
705.95544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.6
53.03923	2.1
54.87215	0.3
55.01861	4.3
55.05495	41.8
57.03417	6.6
57.07057	10.8
65.03925	0.7
67.05481	16.2
69.03405	1.0
69.07040	36.3
71.04956	2.1
71.08607	6.9
77.92537	0.4
79.05006	0.7
79.05462	18.6
81.03385	21.3
81.07024	21.6
81.92512	0.4
83.04945	7.3
83.08588	32.9
85.02877	13.2
85.06509	0.7
85.10139	2.2
89.22429	0.4
90.52203	0.4
91.05444	24.5
93.07004	13.0
95.04923	12.5
95.08574	10.0
97.02814	0.5
97.06489	3.0
97.10130	19.1
98.98427	4.6
105.06992	16.3
107.04926	4.3
107.08601	3.9
109.06484	2.6
109.10125	2.0
111.04401	0.7
111.08038	4.0
111.11678	3.0
113.05997	0.6
115.05408	0.7
117.07014	0.9
119.08545	11.7
121.06509	0.6
121.10093	5.8
123.08038	0.9
123.11690	0.9
129.06963	7.7
130.30435	0.4
131.08516	6.5
133.06456	1.7
133.10086	5.9
135.11661	2.0
137.09610	0.7
142.07767	1.9
145.10062	0.7
147.07994	1.0
147.11649	5.1
149.09607	2.4
155.00989	0.5
157.10066	6.3
163.11203	0.4
165.12685	0.6
175.11127	5.4
184.07312	0.8
193.12180	9.5
199.83598	0.5
203.31522	0.4
211.13223	9.8
237.22032	2.5
267.15744	3.2
311.25650	3.5
400.56662	0.4
485.36392	0.7
503.37155	11.0
504.37592	0.9
521.38165	100.0
522.38379	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14518	0.9
55.01863	1.3
55.05495	10.2
57.03417	9.3
61.02900	7.5
65.03893	1.1
67.05476	21.5
68.24175	1.0
69.03403	5.1
69.07040	11.4
71.04971	2.0
73.02894	5.4
73.54786	1.0
79.05464	17.2
80.06527	1.1
81.03387	8.7
81.07024	52.0
82.07357	6.7
83.04958	7.4
83.08598	7.8
85.02863	9.3
85.06523	2.8
86.80264	1.0
91.03910	1.4
91.05433	22.3
91.45158	1.3
92.05796	2.0
93.07012	16.8
94.07296	1.5
95.04934	6.2
95.08587	12.0
96.08926	1.3
97.02881	7.6
97.06502	4.5
99.08038	1.1
105.07000	25.4
106.07339	1.9
107.08588	12.5
109.06509	2.5
109.10128	2.1
111.04393	1.4
111.08087	1.3
117.06971	1.7
119.08527	17.4
120.08876	2.4
121.10113	9.7
123.08009	4.1
123.11650	15.8
124.12010	2.0
127.03865	2.6
127.07526	1.4
129.06984	2.8
133.10104	2.8
135.11671	1.3
145.10114	1.7
147.04401	2.1
147.11641	32.4
148.12013	6.2
157.10117	1.2
163.11137	1.4
165.12679	12.5
166.13062	1.8
171.11646	1.8
193.12320	1.9
195.13841	1.4
240.78754	1.3
243.08418	2.1
267.15793	22.8
268.16080	8.3
283.15356	1.3
285.16858	24.7
286.17294	7.2
292.84778	1.5
364.05139	1.3
372.05139	1.1
388.15521	1.3
465.20944	10.1
469.20364	5.4
477.28375	9.4
478.28696	6.9
495.29321	19.7
496.29517	17.7
496.35309	1.2
693.34351	100.0
694.34857	2.2
705.05884	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	693.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14518	0.9
55.01863	1.3
55.05495	10.2
57.03417	9.3
61.02900	7.5
65.03893	1.1
67.05476	21.5
68.24175	1.0
69.03403	5.1
69.07040	11.4
71.04971	2.0
73.02894	5.4
73.54786	1.0
79.05464	17.2
80.06527	1.1
81.03387	8.7
81.07024	52.0
82.07357	6.7
83.04958	7.4
83.08598	7.8
85.02863	9.3
85.06523	2.8
86.80264	1.0
91.03910	1.4
91.05433	22.3
91.45158	1.3
92.05796	2.0
93.07012	16.8
94.07296	1.5
95.04934	6.2
95.08587	12.0
96.08926	1.3
97.02881	7.6
97.06502	4.5
99.08038	1.1
105.07000	25.4
106.07339	1.9
107.08588	12.5
109.06509	2.5
109.10128	2.1
111.04393	1.4
111.08087	1.3
117.06971	1.7
119.08527	17.4
120.08876	2.4
121.10113	9.7
123.08009	4.1
123.11650	15.8
124.12010	2.0
127.03865	2.6
127.07526	1.4
129.06984	2.8
133.10104	2.8
135.11671	1.3
145.10114	1.7
147.04401	2.1
147.11641	32.4
148.12013	6.2
157.10117	1.2
163.11137	1.4
165.12679	12.5
166.13062	1.8
171.11646	1.8
193.12320	1.9
195.13841	1.4
240.78754	1.3
243.08418	2.1
267.15793	22.8
268.16080	8.3
283.15356	1.3
285.16858	24.7
286.17294	7.2
292.84778	1.5
364.05139	1.3
372.05139	1.1
388.15521	1.3
465.20944	10.1
469.20364	5.4
477.28375	9.4
478.28696	6.9
495.29321	19.7
496.29517	17.7
496.35309	1.2
693.34351	100.0
694.34857	2.2
705.05884	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	693.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89623	0.4
55.01851	0.7
55.05492	2.5
56.82365	0.5
57.03419	4.1
59.85139	0.5
61.02906	6.9
63.81385	0.5
67.05486	3.1
69.03410	3.7
69.27453	0.4
71.01335	0.6
71.04970	1.0
73.02888	5.1
79.05482	3.3
80.08438	0.5
81.03378	4.2
81.07043	3.4
81.84018	0.6
83.01328	1.1
83.04954	1.2
83.08601	1.2
85.02877	6.7
89.32455	0.5
91.03948	3.8
91.05471	2.7
91.34499	0.6
93.06989	5.5
95.04931	1.3
95.08592	1.1
97.02870	5.1
99.04419	0.7
101.02346	2.5
105.07026	2.4
107.04949	1.0
107.08561	2.4
109.02826	0.7
109.06509	1.1
109.10149	0.8
111.04427	0.6
117.06965	0.8
119.08554	2.3
120.13375	0.7
121.10123	1.4
123.08057	0.8
127.03880	1.0
131.08557	0.6
135.11668	2.3
145.10141	2.6
163.11143	5.3
209.11670	0.9
222.71188	0.7
243.08481	3.3
249.10968	0.8
283.15427	2.3
438.25659	0.7
453.84613	0.6
467.18735	18.3
693.30701	100.0
694.31067	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.01855	1.9
55.05493	3.1
57.03419	3.9
57.68988	0.4
59.04975	0.4
61.02906	7.5
61.36569	0.4
67.05486	6.0
69.03421	3.3
69.07040	0.8
69.28268	0.4
71.04974	2.1
71.86660	0.4
73.02883	5.6
79.05462	5.5
81.03393	3.7
81.07016	6.3
83.01310	1.6
83.04937	3.4
83.08603	2.5
85.02873	7.9
87.04453	0.5
89.12160	0.4
91.03936	3.2
91.05446	3.8
93.07004	7.4
95.04935	2.3
95.08586	2.6
97.02853	7.1
97.06517	1.6
99.04429	1.7
100.66713	0.5
101.02364	2.1
105.07007	2.3
107.04913	2.3
107.08543	4.0
109.02835	0.5
109.06496	1.7
109.10139	2.5
111.04412	0.6
116.54732	0.5
116.55562	0.5
117.06959	2.9
119.08582	2.1
121.10124	2.2
123.08035	2.2
125.09655	0.4
127.03897	2.5
129.05345	0.6
131.08510	0.5
135.08073	0.7
135.11655	3.9
137.09625	0.7
145.10097	4.7
163.11137	7.6
172.93390	0.5
173.09599	0.6
181.12228	0.7
184.07317	0.7
184.10100	0.5
193.12210	0.5
198.71559	0.4
209.11790	1.5
227.12781	0.7
243.08232	3.0
249.10992	1.7
283.15424	2.2
287.18213	0.4
309.24265	0.4
373.39624	0.4
437.25211	1.5
463.26584	0.7
467.18753	16.9
477.28351	2.1
478.28610	0.7
495.29446	1.9
496.29459	1.0
547.92322	0.5
693.30670	100.0
694.31122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
55.01847	0.4
55.05495	1.8
57.03424	0.4
61.02894	0.4
65.03917	4.2
67.05478	9.1
69.03403	5.5
69.65887	0.3
71.01295	0.4
71.90731	0.3
73.72835	0.3
79.05444	0.6
79.83615	0.3
81.03362	0.3
83.04947	25.1
85.02873	9.2
87.04423	0.5
89.03885	4.7
91.05441	11.3
93.03365	12.7
95.04932	7.9
95.74210	0.3
97.02853	0.8
99.00771	8.0
101.05965	0.4
107.04912	5.2
109.02866	0.4
111.04401	36.5
113.02320	0.4
115.03925	0.5
117.01821	1.2
117.03331	6.8
119.04897	34.4
121.02822	5.6
123.04394	0.5
129.05429	13.0
135.04361	20.1
137.02292	0.4
139.02837	0.5
139.03859	13.2
139.04933	0.5
145.02805	13.4
147.04361	100.0
148.04692	0.6
154.96814	0.3
157.04906	9.6
163.03838	64.7
164.04219	0.4
165.06937	1.6
175.05949	6.0
179.08484	0.6
183.08003	1.8
187.03746	0.4
189.06915	0.3
205.06393	0.5
207.08026	4.1
211.07483	0.6
217.06442	0.4
227.05388	0.7
229.08397	1.5
234.06248	0.5
235.07469	6.2
239.06963	0.7
253.08566	2.9
255.04788	0.4
263.04138	0.6
263.06903	12.1
267.06320	0.5
273.05917	5.9
279.06293	1.4
280.06708	1.6
281.07990	7.2
291.06409	2.9
309.07489	5.7
319.07742	0.4
321.09540	1.8
327.08386	0.8
337.09207	2.5
339.10776	0.5
365.05453	0.4
429.09943	1.3
447.11169	18.3
483.12689	7.0
503.24237	0.4
621.65527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96709	0.5
53.03933	0.5
53.47708	0.5
53.95565	0.4
54.37397	0.5
55.01842	0.8
55.05499	6.9
57.03394	0.9
59.41985	0.5
65.03915	12.9
67.05485	16.7
68.99770	2.4
69.03410	14.2
79.14649	0.5
83.04952	67.2
85.02875	23.9
87.04424	0.8
88.31695	0.5
89.03883	3.1
91.05443	10.2
93.03374	40.5
95.04939	7.3
99.00774	7.3
107.04906	7.5
109.02854	0.7
111.04409	100.0
111.86992	0.5
113.02328	0.7
115.03889	2.7
117.01881	0.6
117.03348	4.3
119.04900	26.2
119.05720	1.2
121.02828	18.8
129.05435	36.5
135.04370	11.9
139.03864	43.8
144.73755	0.6
145.02802	7.2
147.04369	68.8
152.56927	0.6
153.06857	0.6
155.08493	0.8
157.04918	32.8
159.04344	0.8
163.03851	37.6
165.06918	2.1
170.83186	0.6
175.05966	26.5
179.08517	1.2
183.08032	3.9
189.06952	2.5
198.12402	0.6
205.06294	0.7
207.07994	8.1
210.16010	0.6
211.07491	2.7
217.06543	2.4
223.98816	0.6
229.08548	3.8
235.07457	17.7
239.07031	0.9
253.08482	8.7
263.06931	32.9
267.06454	0.8
273.05911	12.0
279.06140	0.8
280.07004	0.8
281.07996	20.0
291.06497	8.5
309.07449	16.4
327.08456	2.9
447.11160	10.0
483.12711	11.5
501.14011	0.6
644.15540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81449	0.7
53.03924	3.2
55.01854	3.3
55.05496	20.9
57.03422	20.9
57.07063	1.0
59.65120	0.7
60.84653	0.7
61.02908	6.1
65.03899	0.8
67.05481	43.4
69.03410	6.1
69.07041	16.7
71.04961	5.3
73.02898	0.8
73.06525	0.8
79.05460	30.9
81.03386	62.6
81.07026	100.0
82.07375	0.9
83.04948	19.4
83.08590	28.7
85.02872	29.6
85.06522	5.7
91.03938	1.0
91.05445	42.7
91.06023	1.5
92.08684	1.1
92.95023	0.8
93.07006	26.8
95.04932	29.4
95.08570	28.7
95.09145	1.6
97.02866	4.9
97.06498	11.7
97.10154	3.2
99.08054	5.0
101.05963	1.3
105.06994	49.2
107.04916	6.7
107.08569	15.3
109.06493	9.1
109.10146	4.2
111.04410	1.8
111.08056	12.1
113.05987	3.1
115.05389	1.0
115.59653	0.7
116.16634	0.8
119.08537	48.6
121.10098	26.7
123.08016	7.3
123.11665	28.5
125.09580	1.1
127.07540	1.7
128.49263	0.8
129.06964	11.0
131.08525	9.8
133.06480	3.4
133.10085	13.1
137.09596	1.6
142.07759	3.4
145.10066	1.9
147.08003	3.9
147.11644	72.2
149.09547	8.1
157.10085	16.4
163.11150	1.0
165.12686	24.8
175.11119	19.2
183.13719	1.3
193.12170	46.7
198.88814	0.8
202.63614	0.8
211.13228	45.6
212.13570	0.8
229.14317	1.9
267.15808	67.1
285.16858	86.8
299.72003	0.9
331.04755	1.1
342.80618	0.8
376.70328	0.9
459.27017	1.8
477.28302	23.3
495.29333	83.7
496.29617	1.4
684.14935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.9
55.01838	3.6
55.05494	24.8
57.03419	24.6
59.76763	2.1
61.02898	5.3
67.05478	36.7
69.03394	5.3
69.07038	12.7
71.04939	4.4
79.05459	48.3
80.14987	1.8
80.45065	2.0
81.03388	100.0
81.07024	42.5
83.04960	26.0
83.08589	33.0
85.02872	47.1
85.06500	3.5
86.33218	2.1
91.05447	56.0
93.07011	27.6
95.04935	45.5
95.08573	19.4
96.16632	2.2
97.02857	3.2
97.10139	4.6
103.89583	1.9
105.07003	40.9
107.02282	2.4
107.04922	12.9
107.08553	9.3
109.06475	4.2
109.10116	5.3
111.04425	2.4
111.08042	13.7
113.05942	2.6
117.06968	2.7
118.93527	2.2
119.08525	34.5
121.10092	19.1
123.11671	2.4
129.06953	14.0
131.08543	20.1
133.10062	22.1
142.07648	2.8
147.08011	3.9
147.11665	22.6
149.09535	12.0
157.10091	24.7
165.12689	4.4
175.11165	19.7
193.12180	57.1
211.13220	62.0
211.34341	2.3
211.39761	2.5
215.59996	2.1
245.73106	2.4
267.15811	28.8
274.83133	2.6
282.98071	2.8
285.16885	57.9
459.27402	17.8
477.28436	29.4
495.29291	72.6
497.31152	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	692.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80991	2.2
55.01841	8.6
55.05495	34.5
57.03416	28.1
61.02891	11.8
67.05480	100.0
69.03392	9.8
69.07037	18.6
71.04940	10.0
73.02888	2.0
76.55260	1.9
79.05459	36.9
81.03377	8.5
81.07029	71.9
83.01303	2.4
83.04929	10.8
83.08592	23.6
85.02863	16.1
85.06506	2.9
86.09688	2.2
87.04424	3.7
91.03876	2.9
91.05447	38.2
93.07018	42.7
95.04922	10.1
95.08565	20.8
97.02859	5.1
97.06513	8.9
97.10109	14.8
105.06979	12.2
107.04928	2.7
107.08569	34.3
109.06490	4.6
109.10120	50.4
111.08061	2.8
117.06960	5.3
119.08534	13.3
121.10092	9.8
123.11651	2.3
125.09570	5.4
129.05432	4.2
131.08519	10.3
133.10103	11.0
135.11636	10.7
149.13199	8.2
149.15961	2.1
155.38832	2.7
163.11185	2.6
173.11707	11.7
184.07298	2.8
192.13158	2.2
195.13719	8.5
199.13232	3.3
211.13179	3.3
214.79428	2.3
227.12784	4.1
229.14296	28.1
247.62933	2.1
267.15842	5.0
269.17365	29.6
283.15298	3.0
292.88281	2.1
301.16345	12.6
316.18768	2.4
392.33591	2.5
423.27170	27.4
435.93649	2.7
445.90027	2.3
451.50772	2.6
495.29337	47.8
506.15619	2.3
513.30359	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80690	0.7
55.01851	3.0
55.05494	15.2
55.10042	0.6
57.03186	0.8
57.03422	13.5
57.07055	0.9
59.04995	0.7
60.21465	0.7
60.83017	0.5
61.02911	4.6
65.03905	0.8
67.05480	34.1
69.03390	1.4
69.07040	16.8
71.04955	3.5
73.02876	1.0
76.42138	0.6
79.05460	17.6
81.03396	4.9
81.07024	100.0
83.04948	8.7
83.08597	12.1
85.02866	3.8
85.06514	6.7
86.09673	0.9
91.05444	24.4
93.07010	17.9
95.04919	4.4
95.08568	26.2
97.02878	1.5
97.06496	7.4
97.10165	1.1
99.08049	4.7
101.05966	1.2
105.06995	40.8
107.04919	0.8
107.08549	16.6
109.06462	7.5
109.10114	3.8
111.08006	1.2
113.05991	2.5
117.06940	1.4
119.08536	35.2
121.06499	0.6
121.10100	28.6
123.08048	7.7
123.11655	38.6
127.07533	4.0
129.06937	2.5
131.08487	2.5
133.10074	4.7
135.11635	1.3
135.75943	0.6
137.13202	3.7
141.09026	1.1
145.10056	1.6
147.11642	92.2
148.12016	1.0
149.09592	1.1
149.13161	1.4
151.88899	0.8
157.10083	5.3
163.11119	1.0
165.12683	32.8
165.97447	0.7
173.46899	0.6
175.11095	4.1
183.13748	2.6
184.07291	1.5
193.12234	2.5
205.84383	0.6
229.14284	7.5
267.15799	70.9
269.17349	3.1
285.16852	76.1
286.17139	0.8
313.75174	0.7
394.15036	0.8
423.27216	0.7
459.26846	0.7
477.28238	15.6
479.20319	0.7
495.29333	77.7
496.29245	1.4
499.12622	0.8
621.32501	0.8
693.33899	3.1
712.50470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
53.03937	0.3
55.01849	1.4
55.05497	11.1
57.03416	2.5
57.07058	2.9
59.04985	0.6
61.02907	5.0
67.05150	0.6
67.05483	10.8
69.03412	3.0
69.07046	8.8
69.07411	0.5
71.04971	1.4
71.08600	1.8
73.02895	4.5
79.05462	5.4
81.03383	2.9
81.07030	7.3
83.01324	1.3
83.04967	1.9
83.08588	7.7
85.02885	6.1
86.09672	0.4
91.03935	4.1
91.05445	3.7
93.07012	7.8
95.04942	1.6
95.08576	3.9
97.02859	5.0
97.10139	3.5
98.98441	0.6
99.04404	0.6
101.02349	2.1
105.07007	2.1
107.04913	0.7
107.08552	3.7
109.02856	1.2
109.06477	1.2
109.10126	7.9
111.08038	0.4
111.11650	0.4
113.71961	0.3
114.85180	0.3
117.06995	1.9
119.08536	2.3
121.08527	0.3
121.10095	2.2
123.08006	0.5
127.03905	1.6
131.08551	0.5
133.10123	0.4
135.11632	2.8
144.51514	0.3
145.04884	0.4
145.10120	2.4
153.12758	0.4
155.00999	0.5
155.08557	0.4
155.10664	0.4
163.11090	2.6
166.16360	0.3
173.11647	2.3
175.61415	0.4
182.62053	0.4
184.07375	0.6
185.04156	0.4
195.09941	0.6
209.11685	0.7
227.12645	0.7
229.14352	1.2
243.08249	2.4
311.25952	0.3
413.17654	10.2
519.29108	4.3
519.36517	30.8
520.36926	0.4
691.40082	100.0
692.40540	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88221	0.4
53.03930	0.9
55.01849	2.2
55.05497	6.2
57.03407	3.2
57.07060	1.4
61.02649	0.5
61.02906	8.3
67.05483	12.0
69.03095	0.4
69.03396	4.3
69.07049	6.0
71.01308	0.8
71.04957	1.8
71.08605	0.7
71.23608	0.4
73.02887	5.9
75.84666	0.4
79.05466	5.9
81.03381	3.7
81.07027	7.8
83.01321	0.4
83.04938	0.8
83.08595	4.6
85.02875	7.2
91.03926	5.2
91.05423	3.4
93.07008	7.3
95.04944	0.7
95.08566	5.2
97.02850	6.4
97.06457	0.6
97.10136	2.3
98.34656	0.4
98.98447	0.7
99.04393	0.8
101.02383	3.3
103.48746	0.4
105.06984	2.4
107.04906	0.5
107.08557	3.7
109.02818	0.8
109.06486	0.5
109.10120	9.1
117.06986	1.0
119.08545	1.7
121.10106	2.6
127.03854	2.0
131.08578	0.5
135.11678	1.8
137.63495	0.4
145.10103	2.5
147.11603	0.6
155.10690	0.4
163.11140	3.2
173.11671	2.0
173.41299	0.4
184.07301	0.7
185.04187	0.4
195.09883	0.7
209.11739	0.6
227.12836	0.8
243.08437	2.4
335.25769	0.9
355.19452	0.4
396.12451	0.4
413.17703	6.2
519.29144	9.8
519.36755	15.6
691.40057	100.0
692.40161	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
53.97746	0.6
54.81725	0.7
55.01861	6.3
55.05242	1.4
55.05497	35.7
57.03410	4.2
57.07058	9.6
57.19143	0.6
59.04969	0.9
59.16929	0.7
63.99964	0.6
67.05488	11.2
69.03395	1.3
69.07039	25.7
71.04947	1.0
71.08595	4.2
71.69817	0.7
79.05465	13.4
81.03388	6.2
81.07027	14.0
83.01312	4.0
83.04950	7.6
83.08586	22.9
85.10168	0.9
89.33408	0.7
91.05448	8.3
92.08679	2.4
93.07008	16.3
95.04940	4.5
95.08568	9.4
97.06480	2.8
97.10125	13.5
98.98416	3.9
101.07110	0.8
105.07010	5.9
107.04916	4.6
107.08540	9.5
109.06472	3.0
109.10143	1.2
111.04382	1.2
111.11677	3.6
117.06986	4.7
119.08551	4.3
121.06456	1.8
121.10129	5.7
123.08005	3.6
130.07735	0.9
130.31093	0.7
131.08487	1.4
133.10100	1.1
135.08000	0.9
135.11641	7.1
143.08504	0.9
145.10072	8.2
147.08046	1.0
155.01024	1.2
155.08598	0.8
163.11108	12.5
181.12239	1.5
182.22360	0.7
191.10464	0.8
209.11632	1.8
227.12755	3.9
232.93613	0.7
242.60251	0.8
283.15536	1.0
299.18881	0.9
300.19513	0.8
311.25778	0.8
351.33783	0.8
519.36633	100.0
520.36932	3.6
524.20770	0.9
661.18671	0.9
691.40149	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	691.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25829	0.5
53.00301	0.7
53.03930	2.6
55.01855	6.0
55.05500	38.4
55.05768	1.3
57.03414	4.8
57.07064	11.2
59.04974	1.3
62.15313	0.6
65.03949	0.6
67.05485	12.8
69.03407	1.4
69.07047	27.4
71.01324	0.6
71.04969	1.3
71.08599	4.9
79.05474	15.2
81.03396	7.0
81.07033	15.9
83.01318	3.7
83.04947	8.0
83.08598	26.9
85.02868	2.7
85.10182	0.9
91.05447	10.8
93.07016	19.6
95.04912	5.2
95.08573	5.6
97.06500	2.7
97.10141	15.3
98.98457	1.0
99.04393	0.7
105.06997	7.7
107.04929	4.6
107.08556	8.6
109.06512	4.6
109.10138	2.4
111.07987	1.1
111.11716	4.0
117.06975	5.2
119.08554	6.2
121.06436	1.2
121.10085	5.0
123.08070	3.9
129.06946	1.0
130.07687	0.7
131.08543	3.3
133.10104	2.6
135.08061	1.2
135.11670	6.0
145.10078	9.3
149.13168	0.9
155.00987	0.9
163.11130	9.9
184.13344	0.7
191.10666	0.7
209.11711	1.6
227.12747	0.8
243.80559	0.7
283.15350	1.0
447.90765	0.7
519.36670	100.0
520.37170	1.4
607.25940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	21.9
57.03419	29.6
57.07056	46.7
61.02909	3.6
65.72890	1.5
66.97035	1.4
67.05486	59.1
69.07042	23.5
71.01347	2.3
71.04970	2.1
71.08606	24.7
76.55708	1.7
79.05463	47.3
81.03393	8.3
81.07021	35.3
83.04958	11.2
83.08591	15.7
85.02901	3.6
85.06486	2.4
85.10155	18.7
91.03911	3.0
91.05436	19.4
92.08633	4.1
93.07006	53.9
95.04893	2.9
95.08576	25.8
97.02861	2.0
97.06508	12.2
97.10150	18.4
97.85892	1.6
98.86162	2.0
99.08083	1.8
105.07022	2.7
107.04905	1.7
107.08552	29.7
109.06464	1.8
109.10123	14.4
117.06968	3.9
119.08536	6.5
121.10109	10.3
123.11715	1.7
133.10107	3.5
135.11652	58.4
135.12680	2.4
145.10057	11.0
153.12646	2.3
157.09966	1.5
163.11154	3.1
181.12181	10.6
190.98717	1.5
234.23062	1.9
255.15817	100.0
257.24838	1.9
303.96225	1.8
313.27255	54.8
389.84399	1.7
493.38696	89.3
518.39453	2.7
689.49060	2.0
690.50018	3.4
701.47479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02021	0.4
53.03930	0.6
54.81096	0.4
55.01851	0.5
55.05485	1.9
57.03412	1.8
61.02902	5.8
67.05479	3.3
69.03406	3.3
69.07037	1.0
71.04955	0.7
73.02887	3.6
79.05457	5.8
80.53135	0.5
81.03395	3.7
81.07020	4.8
83.04954	2.2
83.08582	0.9
85.02871	4.4
85.85499	0.4
90.86774	0.4
91.03919	3.6
91.05437	5.0
93.07010	5.4
94.77663	0.4
95.04945	2.5
95.08575	2.7
97.02850	4.0
97.06490	0.5
99.04399	0.5
101.02312	1.7
105.07006	3.5
107.04951	0.9
107.08556	2.5
109.02848	1.1
109.06500	0.6
117.06959	0.9
119.08518	3.0
123.08071	0.8
127.03889	1.8
129.06947	0.8
133.10117	1.7
135.11650	0.8
143.08566	1.0
145.10106	2.8
147.11693	1.7
149.02281	0.7
161.09656	0.6
161.13234	0.5
163.11156	1.8
171.11649	0.7
186.12576	0.4
189.12668	0.5
209.11737	0.6
220.68500	0.5
226.40762	0.5
243.08411	2.5
247.12912	0.6
281.17493	0.6
303.15561	0.6
465.20715	10.1
467.18546	5.9
546.76550	0.5
691.32758	100.0
692.33069	4.3
701.44360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86396	0.7
53.03933	1.6
55.01856	10.4
55.05241	1.7
55.05495	24.5
57.03152	0.8
57.03419	19.6
57.07044	1.8
59.04983	3.8
61.02902	7.2
65.03921	0.9
67.05482	32.3
67.75327	0.8
68.02488	0.8
69.03395	1.5
69.07040	16.6
71.01340	0.8
71.04958	6.8
73.02869	1.9
78.86367	0.7
79.05464	30.1
81.03391	11.9
81.07026	93.9
81.89343	0.8
82.07385	1.0
83.01312	10.9
83.04953	18.6
83.08596	18.1
85.02864	9.1
85.06516	7.8
85.06944	0.9
91.05449	33.0
92.08632	1.3
93.07005	36.7
95.04939	11.0
95.08568	25.1
97.02877	4.2
97.06481	8.7
97.10150	1.3
99.04426	1.6
99.08058	4.0
101.05964	1.1
105.07000	40.4
106.07331	1.0
107.04921	9.2
107.08556	24.7
109.06491	12.2
109.10115	3.3
111.04382	3.4
111.08038	1.5
113.06004	1.2
117.06967	8.7
118.55788	0.8
119.08543	34.4
121.06477	2.0
121.10114	27.4
122.89674	0.8
123.08020	11.5
123.11663	33.2
125.05972	0.8
125.09660	0.8
127.07525	1.4
129.06955	1.8
130.07770	1.3
131.08519	4.6
133.10068	3.9
135.11644	11.3
137.09621	1.6
145.10072	14.2
147.08049	1.0
147.11638	62.1
149.09605	1.1
153.12680	1.3
157.10078	3.6
163.11134	23.0
165.12691	24.0
173.09572	3.5
175.11160	1.4
181.12224	3.6
183.13759	1.7
183.89857	0.8
191.10564	4.2
193.12228	1.0
209.11687	6.2
227.12747	3.3
229.14352	1.4
243.68239	0.9
253.05640	0.8
265.14227	1.5
267.15805	55.9
283.15308	69.8
285.16861	42.8
475.26843	1.5
493.27823	100.0
494.28070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74727	0.9
53.03931	2.6
54.05951	0.9
55.01853	7.6
55.05499	25.9
57.03423	18.0
59.04986	1.5
61.02909	6.9
65.03896	1.0
67.05482	21.6
69.03406	4.8
69.07034	5.8
71.04964	7.0
71.46820	0.8
73.02888	2.0
79.05459	32.4
81.03388	50.1
81.07025	28.5
83.01317	7.1
83.04951	24.2
83.08593	25.7
83.88840	1.0
85.02876	26.5
85.06522	1.0
88.84470	1.0
90.48388	1.0
91.03935	1.3
91.05447	33.1
93.07009	30.0
95.04929	25.8
95.08574	9.0
97.02862	6.1
97.06497	6.4
97.10144	3.8
99.04391	1.0
99.08146	0.9
100.65356	1.0
103.05453	1.1
105.06994	24.8
107.04933	12.5
107.08551	16.2
109.06493	10.7
109.10117	4.3
111.04375	1.5
111.08046	8.3
117.07006	7.8
117.87511	1.1
119.08547	18.5
121.06445	2.1
121.10107	13.1
123.08040	5.2
123.11678	1.6
125.05972	2.2
125.09600	1.4
125.12318	1.0
129.06956	12.4
131.08513	14.1
133.06432	1.4
133.10080	11.2
135.08014	1.8
135.11665	6.7
137.09593	1.2
142.07736	2.6
145.10056	15.1
147.08012	4.7
147.11623	10.2
149.09612	5.4
153.12660	1.9
157.10057	10.2
163.11110	19.5
173.09558	1.5
175.11125	12.8
181.12270	1.3
191.10786	1.5
193.12190	28.3
209.11667	1.7
211.13220	35.3
211.15102	1.9
227.12616	1.4
232.14156	1.2
240.43184	1.0
254.43356	1.0
265.60739	1.2
267.15741	7.4
283.15320	37.0
285.16891	28.2
301.88791	1.1
312.76404	1.0
383.21786	1.9
457.25610	2.5
475.26724	15.2
493.27805	100.0
526.40118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.3
55.01859	9.1
55.05243	1.1
55.05495	23.4
57.03147	1.1
57.03419	20.9
57.07046	0.7
58.82795	0.5
59.04977	2.7
61.02905	7.5
65.03912	0.6
67.05116	0.9
67.05479	25.6
69.03412	6.0
69.07039	8.6
71.01324	0.9
71.04962	7.9
73.02872	1.3
79.05003	1.4
79.05460	34.4
81.03386	55.8
81.06546	1.2
81.07024	35.1
83.01309	8.1
83.04948	21.0
83.08130	1.2
83.08586	24.1
85.02872	28.2
85.06509	1.4
87.60191	0.6
91.03912	1.5
91.05441	35.3
92.08772	1.3
92.50573	0.7
93.07007	30.0
95.04928	24.3
95.08569	16.5
97.02870	7.2
97.06519	6.0
97.10126	5.5
97.71469	0.7
99.04403	2.7
99.08035	1.5
105.06996	24.6
107.04922	11.0
107.08558	15.3
109.06483	10.6
109.10110	3.5
111.04401	4.6
111.08039	7.2
113.05965	1.2
115.05370	0.8
117.06986	9.1
119.08540	21.7
121.06458	4.0
121.10096	12.6
123.08015	10.3
123.11652	0.8
125.05904	0.8
125.09583	2.8
128.06209	0.9
129.06955	10.0
131.08499	11.2
133.06447	2.8
133.10107	10.9
135.08029	1.4
135.11647	10.9
137.09573	1.3
139.07521	0.8
142.07770	1.2
143.08511	0.9
145.00702	0.7
145.06454	0.8
145.09027	0.8
145.10083	13.4
147.08002	5.0
147.11646	14.9
149.09581	5.0
151.11212	0.9
153.12657	1.1
157.10081	11.2
161.09590	0.7
163.11124	21.9
165.12639	1.2
173.09544	2.4
175.11101	10.8
181.12228	1.3
191.10602	1.3
193.12178	28.0
209.11702	3.7
211.13213	30.7
227.12747	2.6
267.15845	8.8
283.15283	44.2
284.15784	0.9
285.16873	26.0
349.19125	0.6
383.22247	1.1
449.25058	0.7
457.25656	3.9
475.26779	17.0
493.27783	100.0
494.27844	2.5
568.67871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	4.6
53.03923	19.4
54.81174	2.3
55.01845	5.0
55.05492	41.4
57.03417	20.8
57.07039	2.6
65.03917	3.6
67.05482	89.3
69.03398	40.2
69.07030	31.4
70.51656	2.9
71.04955	13.7
73.40262	2.5
76.55432	2.6
79.05455	88.8
81.03384	99.0
81.07018	100.0
83.04945	28.4
83.08588	20.2
85.02871	18.4
85.06518	4.9
91.05440	81.2
93.07009	77.0
95.04933	38.1
95.08559	60.8
96.52354	2.6
97.02850	21.6
97.06487	6.8
97.10129	3.8
105.06999	63.6
107.04913	15.7
107.08550	41.7
109.02839	17.9
109.06496	11.5
109.10119	18.4
111.04407	11.7
111.08022	6.7
117.06988	25.3
119.08524	53.1
119.26604	2.6
121.06433	3.6
121.10070	32.0
123.04369	4.7
123.07992	4.6
123.11679	3.8
127.03831	3.2
129.06943	24.7
131.08543	34.0
133.06425	5.4
133.10071	20.6
135.11646	22.2
141.06989	3.4
143.08516	16.9
145.10063	26.5
147.07988	4.5
147.11696	25.2
149.09572	4.1
149.13232	6.0
153.12584	2.7
155.08504	4.6
157.10051	20.6
159.07948	3.7
159.11670	14.2
163.11130	5.0
165.12651	3.2
169.10065	3.7
171.11624	10.5
173.04553	3.2
173.13217	4.9
175.11128	14.3
175.14774	3.5
181.10059	2.9
185.13162	3.5
193.12169	29.7
202.34567	2.9
211.13190	32.7
242.25681	2.7
245.13223	2.8
267.15823	5.3
285.16946	4.3
288.35263	3.0
335.25613	11.3
355.17517	3.2
369.24237	4.0
527.37164	12.4
545.37665	6.0
582.62775	3.2
627.16669	3.3
653.40002	6.3
671.41040	18.2
689.42346	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	18.2
54.12184	2.0
54.80845	2.5
55.01839	12.8
55.05498	38.6
57.03407	15.9
65.03897	2.6
67.05485	100.0
69.03417	32.3
69.07043	20.8
70.88074	2.3
71.01323	2.8
71.04962	6.5
73.02893	3.5
76.55129	3.3
79.05466	98.7
81.03387	95.1
81.07030	79.7
83.04961	21.8
83.08578	17.0
85.02886	22.9
86.04931	2.4
91.05453	80.4
92.62434	3.1
92.82806	2.7
93.06432	4.3
93.07008	88.1
95.04936	55.0
95.08573	52.0
97.02869	19.8
97.06487	6.3
97.10130	5.5
99.04416	4.6
105.07001	57.7
107.04908	14.9
107.08563	39.1
109.02837	14.2
109.06478	6.5
109.10101	18.7
111.04385	5.3
111.08022	11.4
117.06961	20.5
119.08546	42.0
121.06467	3.3
121.10104	33.9
123.04385	13.7
123.08054	6.3
123.11713	3.4
125.09582	3.2
127.03867	11.6
129.06952	21.8
131.05008	3.2
131.08521	37.3
133.06447	11.8
133.10071	26.3
135.08035	3.6
135.11670	15.9
135.26921	3.1
137.05870	4.6
137.09579	3.2
142.07761	4.0
143.08510	15.1
145.06502	3.6
145.10095	21.5
147.04370	3.6
147.07991	9.9
147.11642	24.0
148.48593	2.8
149.05945	3.4
149.09560	4.5
149.13210	4.7
155.08495	10.3
157.10063	23.4
159.11649	13.1
163.11145	3.4
165.12732	3.0
169.09999	6.6
171.11621	4.5
173.04376	6.2
173.09604	3.8
173.13229	3.8
175.11105	11.7
175.14644	3.9
183.11554	3.9
184.07298	3.8
193.12126	19.4
197.13190	4.1
211.13202	22.9
227.12733	3.2
235.13231	10.4
256.13611	2.6
259.13358	3.3
262.56845	2.6
267.15781	4.5
273.14929	3.6
301.20917	2.8
335.25696	17.8
355.17590	4.7
369.24097	4.9
411.19775	3.7
441.42484	2.7
527.37177	14.9
545.38269	3.3
635.39050	5.1
653.40167	3.9
671.40607	14.9
689.43085	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.6
53.03935	15.5
55.01863	10.0
55.05245	1.8
55.05496	40.8
57.03419	14.7
57.07055	1.3
59.04989	1.9
59.23129	1.2
60.35077	1.2
65.03913	3.3
67.05478	85.1
69.03401	38.4
69.07040	23.7
71.04965	10.3
73.02866	1.7
73.32935	1.3
79.05458	84.9
80.73743	1.3
81.03385	94.0
81.07024	100.0
83.04953	23.5
83.08593	16.9
84.98423	1.3
85.02876	17.5
85.06510	2.9
86.09752	1.4
89.22678	1.3
91.05441	72.2
92.62801	1.7
93.06422	2.8
93.07009	82.6
94.07353	1.4
95.04924	35.0
95.08564	46.9
97.02844	23.0
97.06490	6.6
97.10137	6.2
99.04440	6.1
99.08020	1.8
105.04459	2.8
105.06992	58.0
107.04912	9.1
107.08556	35.0
107.78106	1.5
109.02840	15.3
109.06483	9.4
109.10117	17.5
111.04406	11.0
111.08070	7.3
115.05398	1.5
117.06982	21.5
119.08531	42.1
121.06458	5.7
121.10093	27.0
123.04400	6.1
123.08048	6.0
123.11648	3.4
125.09638	1.7
127.03882	8.5
128.06194	3.2
129.05461	1.6
129.06931	20.1
131.04898	2.1
131.08516	34.4
133.06461	6.7
133.10085	22.4
135.08009	3.5
135.11647	15.8
137.09552	2.0
137.13249	1.6
141.06946	5.9
142.07785	2.7
143.08516	12.2
145.06491	1.4
145.10086	18.4
147.08055	6.4
147.11635	22.3
149.09567	6.4
149.13226	2.7
151.07506	1.5
155.08522	7.6
157.10095	20.9
159.08090	2.6
159.11642	10.9
159.93080	1.4
161.09508	2.1
161.13234	3.0
163.11119	2.8
165.12718	3.3
167.08427	2.6
169.10083	7.3
171.07938	2.0
171.11641	7.4
173.04433	6.4
173.13190	6.5
175.11159	10.6
181.12274	1.5
183.11658	3.4
185.09589	1.8
185.13147	2.6
191.10637	2.3
193.12164	24.5
195.11592	1.6
197.13264	2.4
199.14876	2.3
209.13179	3.2
211.13181	23.7
215.14337	1.8
229.14400	1.6
235.13260	2.0
259.20407	1.5
261.22089	2.9
265.19406	1.5
267.15805	7.0
285.16956	3.4
335.25674	15.3
337.16205	1.7
341.24652	1.9
355.17499	3.1
369.24106	6.7
387.25238	1.9
411.20071	2.4
420.66101	1.7
461.28989	2.0
483.61008	1.7
527.37146	16.9
545.38342	9.4
569.37988	1.7
653.40430	2.6
671.41602	13.5
689.30438	2.9
689.42346	74.3
690.42279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57399	1.7
53.00271	1.8
53.03931	15.1
55.01854	9.6
55.05493	36.1
57.03418	18.6
57.07062	3.3
65.03908	7.5
66.22547	1.9
67.05480	91.6
69.03403	45.9
69.07040	31.9
70.19868	1.8
71.01323	2.1
71.04951	10.2
76.77341	2.1
79.05460	85.8
81.03384	100.0
81.07024	90.3
83.04942	24.2
83.08596	21.7
85.02875	28.4
88.02820	1.9
91.05447	88.2
92.62983	2.3
93.06420	3.5
93.07006	77.9
95.04922	37.0
95.08569	49.7
97.02848	26.1
97.06490	11.5
97.10125	4.5
99.04426	3.6
103.05474	2.7
105.04510	2.4
105.07001	57.2
107.04907	14.7
107.08563	41.4
109.02829	17.3
109.06483	12.9
109.10126	21.3
111.04401	8.5
111.08069	3.8
115.05379	2.8
116.27135	2.0
117.06968	18.8
119.04955	2.8
119.08542	41.1
121.06452	4.8
121.10100	31.8
123.04385	3.0
123.08009	8.0
123.11655	9.9
125.09666	1.9
127.03860	8.5
128.06126	4.1
129.06952	19.3
131.08521	39.1
133.06488	8.5
133.10080	21.7
135.08109	2.1
135.11632	10.9
141.06961	3.7
142.07704	2.9
143.08534	15.2
145.06412	3.0
145.10085	21.5
147.08058	8.7
147.11606	19.1
149.09634	3.5
149.13184	3.1
153.06892	3.2
155.08528	7.7
157.06378	2.5
157.10054	21.6
159.11670	13.4
161.09604	2.3
163.11093	2.6
165.12657	4.8
167.08493	2.6
169.10081	8.4
171.11612	4.6
173.04393	8.0
173.13216	7.4
175.11122	9.9
181.10010	3.2
183.11588	4.0
185.13173	5.1
187.14809	2.6
189.12718	2.6
193.12172	17.7
195.11563	2.1
197.13176	3.9
211.13176	21.6
211.14807	3.0
241.12036	2.1
248.15689	2.2
267.15906	2.5
285.16937	3.3
301.21454	2.4
335.25748	13.0
351.22745	2.9
355.17651	3.2
411.20432	2.4
435.32422	3.1
510.45148	2.3
527.37238	28.3
545.37854	8.8
653.40033	3.1
671.40332	8.5
689.42480	77.7
691.09521	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	689.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09078	1.0
53.03917	2.2
55.01857	6.7
55.05499	26.4
57.03430	2.4
57.07051	7.0
67.05481	19.9
69.07045	25.7
71.04962	1.3
71.08597	5.0
79.05466	23.9
81.03367	2.0
81.07036	15.8
81.33811	1.1
83.04958	4.8
83.08588	16.7
88.90899	1.2
89.24869	1.1
91.05450	16.6
93.07013	16.3
95.04922	9.4
95.08558	14.0
97.10125	11.0
105.06992	16.3
107.04960	1.5
107.08574	5.2
117.06969	2.0
119.08537	7.9
121.06361	1.1
121.10099	4.6
123.08042	1.3
129.06956	4.4
133.10081	1.8
145.10071	1.8
147.11667	6.0
155.35126	1.2
159.12497	1.2
161.13242	1.5
171.11642	2.9
207.13704	1.6
237.22070	2.8
311.25775	2.5
425.27350	1.2
448.92410	1.5
461.59689	1.2
517.38696	100.0
520.76746	1.2
689.48499	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	688.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80606	0.9
55.05489	2.0
55.08638	0.8
55.79753	0.7
56.93793	0.8
58.76711	0.8
60.08150	8.1
61.95687	0.8
67.05488	8.7
69.07042	1.4
71.07331	4.8
81.07037	2.0
83.08596	1.0
86.09675	41.9
91.05416	1.3
93.07024	1.7
95.08578	3.9
98.98409	1.8
104.10678	3.7
108.89890	1.0
109.10111	5.1
124.99965	29.9
135.11658	1.1
184.07283	100.0
208.69124	1.0
222.76317	1.0
229.14224	1.8
244.29387	0.9
260.72116	0.9
337.27136	1.5
380.69040	1.1
397.99466	1.4
491.36978	5.1
688.45435	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	689.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
53.03920	0.6
54.80723	0.3
55.01842	0.3
55.05494	2.2
57.03412	1.7
61.02901	4.5
62.55378	0.2
65.94319	0.2
67.05477	5.0
69.03400	2.2
69.07041	1.4
71.01313	0.4
71.04945	0.3
72.75301	0.3
73.02881	3.8
73.96107	0.2
74.56022	0.3
79.05456	8.0
81.03385	2.6
81.07027	5.0
83.04933	1.9
83.08589	0.5
85.02877	4.9
91.03908	1.9
91.05445	5.9
93.07010	6.2
95.04932	1.2
95.08572	3.2
97.02843	4.6
97.06513	0.3
97.10102	0.3
99.04411	0.6
101.02341	1.8
105.06989	4.6
107.04919	0.4
107.08541	1.8
109.02864	0.6
109.06501	0.5
109.10113	0.3
117.06963	0.6
117.99651	0.3
119.08540	3.6
121.10092	0.7
123.08015	0.7
127.03893	1.2
129.06958	1.2
133.10092	1.7
135.08015	0.4
135.11719	0.3
143.08522	1.6
145.10103	1.3
147.11642	3.1
150.95923	0.4
161.09647	0.5
161.13248	1.5
171.11600	2.8
184.07434	0.3
185.04234	0.4
189.12686	0.5
207.13873	0.7
219.07802	0.3
243.08295	3.5
247.12921	3.4
281.17474	0.6
303.15674	1.6
303.85440	0.3
382.75916	0.3
443.05640	0.4
465.20764	16.3
466.21448	0.3
689.34784	100.0
690.34784	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26430	2.4
55.01850	3.6
55.05485	17.7
56.84677	2.6
57.03415	3.6
61.69250	3.0
63.66700	2.9
67.05481	51.3
69.07038	17.0
79.05460	60.0
81.03375	5.7
81.07024	63.5
83.04940	14.6
83.08585	12.3
91.05433	42.1
93.07015	40.4
93.55109	2.9
95.04924	17.0
95.08560	25.3
97.06493	3.3
105.04416	2.9
105.07001	42.8
107.08550	16.9
109.06462	4.4
109.10122	5.3
113.37067	3.0
117.06938	3.1
119.08554	37.9
120.44027	3.7
121.10090	17.2
123.11641	16.6
131.08488	2.9
133.10049	4.1
134.99602	3.8
143.08560	3.8
145.10156	6.9
147.11650	64.9
161.13261	4.5
165.12727	15.5
171.11658	16.2
185.69833	3.1
207.13708	5.0
266.15091	3.3
267.15921	25.5
281.17426	35.7
285.16962	20.4
491.29889	100.0
513.20636	3.4
527.29755	9.4
563.32404	16.0
605.33374	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	688.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98966	1.3
53.03929	5.7
55.01849	5.6
55.05497	29.8
57.03177	1.5
57.03419	21.8
60.39808	1.2
61.02890	3.2
64.51626	1.5
67.05481	61.7
69.03410	6.1
69.07043	18.3
71.04958	3.2
76.20859	1.3
79.05457	84.1
81.03387	78.1
81.06546	2.9
81.07023	68.1
83.04950	27.7
83.08595	22.5
85.02874	29.2
85.06509	1.9
91.05441	78.7
91.83067	1.3
93.07005	68.0
95.04931	44.8
95.08565	35.4
97.02850	7.0
97.06495	7.5
97.10129	7.4
99.08036	1.5
105.06997	53.8
107.04951	15.6
107.08562	21.6
109.06485	9.3
109.09403	1.4
109.10118	8.4
111.04382	2.3
111.08039	9.2
113.05962	1.9
117.06966	14.3
119.08537	40.9
121.06427	5.4
121.10100	13.0
123.08029	6.4
123.11697	2.4
127.28449	1.6
129.06947	27.3
131.08502	16.4
133.06462	3.2
133.10062	19.0
138.67726	1.3
142.07703	3.1
143.08510	9.3
145.10066	13.4
147.08014	6.4
147.11642	39.8
149.09543	6.8
157.10085	15.7
161.13184	9.7
165.12665	1.9
171.11630	17.6
175.11124	16.5
189.12675	5.5
193.12149	35.6
207.13680	12.8
211.13210	33.3
267.15808	34.1
281.17346	36.8
283.15167	1.9
285.16849	33.6
319.52414	1.7
473.28793	100.0
491.29837	65.5
492.30103	1.5
550.84998	1.6
632.57422	1.7
633.13538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31351	0.4
53.03919	2.2
55.01635	0.5
55.01860	10.4
55.05493	21.4
56.84159	0.5
57.03151	0.6
57.03419	17.0
58.83977	0.5
59.04975	3.2
59.26266	0.5
61.02901	8.2
66.03337	0.5
67.05477	13.4
69.03404	1.2
69.07042	5.3
71.01308	1.8
71.04951	4.7
73.02885	2.0
79.05002	0.8
79.05460	24.1
81.03387	13.2
81.07027	22.4
83.01311	14.9
83.04953	16.9
83.08592	16.3
85.02882	11.4
85.06501	0.8
91.03925	1.2
91.05448	15.4
92.09360	1.1
93.07007	33.1
95.04935	9.9
95.08565	8.8
97.02855	5.3
97.06502	5.4
97.10143	1.0
99.04426	3.8
99.08035	0.8
103.05430	0.9
105.06998	13.3
107.01791	0.5
107.04928	10.4
107.08566	15.7
109.06483	10.1
109.10107	2.8
111.04394	2.7
111.08073	2.0
115.05401	0.5
117.06983	10.6
117.70029	0.5
119.08537	12.3
121.06477	5.1
121.10083	10.5
123.04408	0.8
123.08032	12.6
125.05951	2.8
125.09597	1.1
128.06187	0.6
129.06906	2.1
130.07756	1.9
131.08511	3.8
133.10089	3.9
135.07979	2.9
135.11649	13.1
137.09610	1.1
139.07458	0.6
143.08492	0.8
145.06419	0.6
145.08984	0.9
145.10083	19.9
147.07979	2.2
149.09586	0.7
151.11183	0.5
153.12682	3.1
155.08507	1.0
163.11121	31.0
173.09569	3.8
181.12164	3.2
191.10548	3.1
209.11673	5.7
227.12669	4.1
283.15295	100.0
284.15390	0.9
327.58127	0.5
338.22397	0.5
448.70941	0.6
491.26218	55.0
492.26379	0.9
501.90417	0.6
644.71259	0.5
671.87317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01921	2.6
53.03925	3.1
55.01859	4.2
55.05505	21.9
55.05696	2.4
57.03408	16.1
61.02894	4.3
64.00499	2.9
64.32854	2.6
67.05482	100.0
68.05815	6.3
68.39046	3.0
69.03394	14.7
69.07032	17.2
71.04976	2.9
79.05474	48.5
81.03388	28.0
81.07021	45.5
83.04942	7.0
83.08601	5.3
85.02864	3.3
91.05458	30.6
93.06997	50.5
95.04937	10.3
95.08570	38.9
97.02851	6.7
97.06481	4.1
97.10075	3.2
99.02187	3.0
104.07484	2.7
105.06992	18.4
107.04909	5.7
107.08569	26.4
109.06455	3.1
109.10126	47.0
110.10503	6.0
117.06991	6.9
119.08537	21.2
121.10096	15.8
123.08047	4.4
129.06912	3.1
131.08498	5.8
133.10071	12.1
135.11676	15.6
140.11478	2.6
142.07841	3.3
145.10106	13.2
149.13226	3.4
154.19739	2.6
161.13251	2.8
163.11139	3.8
173.11647	6.8
173.13133	3.7
174.77826	2.8
201.16353	3.3
226.48854	3.5
229.14201	26.7
230.14584	11.8
261.22195	4.8
330.04645	3.5
335.25601	19.7
336.26059	18.2
488.81601	3.7
489.35687	13.9
490.35727	17.7
687.41162	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	687.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	9.7
53.79139	2.1
54.81482	2.2
55.01849	6.3
55.05495	28.3
56.59128	2.5
57.03415	4.3
61.80900	2.3
67.05486	40.6
69.03403	18.0
69.07040	13.9
71.04970	3.4
71.32655	2.6
79.05453	54.6
81.03381	48.1
81.07019	42.2
83.04947	18.2
83.08591	12.8
85.02884	4.3
91.05432	37.2
92.08658	6.9
93.07005	55.5
95.04926	6.7
95.08560	27.9
97.02857	16.2
100.57840	2.9
105.06995	26.6
105.84636	2.6
107.04906	4.8
107.08562	21.8
109.02797	6.4
109.06480	5.0
109.10165	5.8
111.04401	6.4
117.06980	15.8
117.45628	3.0
119.08503	13.3
121.10107	17.5
121.42402	3.0
123.08076	3.2
127.03819	3.7
129.06970	3.1
131.08528	17.3
133.10121	11.0
135.07982	3.6
135.11667	12.0
143.08565	2.7
145.10106	6.5
153.12662	3.8
155.08493	2.8
157.10101	5.5
163.11104	12.8
163.75340	3.2
227.12694	5.1
353.15857	10.8
432.45993	2.8
514.47955	2.9
546.37994	2.9
687.40698	100.0
693.87109	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	688.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01855	8.4
55.05494	16.7
57.03419	16.9
59.04974	3.7
60.06319	0.6
61.02902	5.7
67.05476	12.0
69.03391	1.1
69.07030	4.8
71.01315	1.0
71.04962	3.1
73.02895	0.7
74.53091	0.7
79.05461	21.4
81.03389	12.3
81.07025	16.7
83.01316	12.3
83.04961	13.2
83.08590	14.0
85.02874	8.9
91.03905	1.7
91.05444	14.3
92.63567	0.7
93.07003	27.9
95.04939	7.0
95.08569	7.6
97.02848	4.8
97.06490	4.2
99.04413	4.1
105.07006	11.0
107.04930	9.6
107.08563	16.6
109.06498	8.8
109.10085	1.3
111.04382	1.3
111.08039	1.6
117.06976	8.5
119.08527	9.1
121.06436	4.2
121.10087	7.1
123.08020	10.1
125.05946	1.6
125.09576	1.3
129.07021	1.0
131.08530	3.6
133.10089	1.1
135.08005	3.6
135.11642	12.8
137.09511	1.1
138.04427	0.8
143.08469	0.9
145.06412	1.1
145.10077	18.6
147.08015	1.4
149.09622	0.8
153.12656	3.4
155.08574	1.4
163.11127	25.9
163.12500	1.0
173.09587	4.2
181.12210	3.3
184.14563	0.7
191.10614	3.8
209.11757	5.4
227.12692	3.5
231.66777	0.7
260.11685	0.7
283.15305	100.0
317.97000	0.8
491.26242	52.6
531.21985	0.8
700.23877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01921	2.6
53.03925	3.1
55.01859	4.2
55.05505	21.9
55.05696	2.4
57.03408	16.1
61.02894	4.3
64.00499	2.9
64.32854	2.6
67.05482	100.0
68.05815	6.3
68.39046	3.0
69.03394	14.7
69.07032	17.2
71.04976	2.9
79.05474	48.5
81.03388	28.0
81.07021	45.5
83.04942	7.0
83.08601	5.3
85.02864	3.3
91.05458	30.6
93.06997	50.5
95.04937	10.3
95.08570	38.9
97.02851	6.7
97.06481	4.1
97.10075	3.2
99.02187	3.0
104.07484	2.7
105.06992	18.4
107.04909	5.7
107.08569	26.4
109.06455	3.1
109.10126	47.0
110.10503	6.0
117.06991	6.9
119.08537	21.2
121.10096	15.8
123.08047	4.4
129.06912	3.1
131.08498	5.8
133.10071	12.1
135.11676	15.6
140.11478	2.6
142.07841	3.3
145.10106	13.2
149.13226	3.4
154.19739	2.6
161.13251	2.8
163.11139	3.8
173.11647	6.8
173.13133	3.7
174.77826	2.8
201.16353	3.3
226.48854	3.5
229.14201	26.7
230.14584	11.8
261.22195	4.8
330.04645	3.5
335.25601	19.7
336.26059	18.2
488.81601	3.7
489.35687	13.9
490.35727	17.7
687.41162	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	686.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	45.1
58.98626	3.6
60.27561	4.2
69.07047	10.0
71.08615	38.2
72.37483	4.0
73.06524	5.6
73.07121	4.2
80.57999	4.8
80.91044	4.2
81.07028	7.3
83.08591	5.2
85.10151	24.1
87.04449	5.5
88.34393	4.1
88.41183	4.6
89.05997	100.0
92.20689	4.5
93.07002	3.8
95.08557	5.6
95.09438	4.2
107.08567	4.8
109.10136	4.5
133.08563	31.8
177.11154	16.5
190.59944	4.2
205.70116	4.7
225.04027	6.2
262.74966	5.1
290.12476	5.5
634.99707	5.0
669.50403	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	686.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61461	1.4
54.80568	1.6
55.01855	6.9
55.05490	20.3
57.03420	3.0
57.07077	1.8
57.64165	1.3
59.04972	2.3
60.75019	1.4
67.05483	45.3
69.07036	9.3
71.04977	1.8
79.05462	22.5
81.03397	3.1
81.07021	38.9
83.01331	2.5
83.04948	3.3
83.08601	8.5
91.05422	16.0
92.58833	1.8
93.07014	21.1
95.04925	6.7
95.08572	24.4
97.06509	2.5
97.10136	2.2
103.08832	1.8
105.07008	11.3
107.04932	2.0
107.08564	14.0
109.06498	2.2
109.10118	13.7
117.06979	6.8
119.08545	7.6
121.06477	1.7
121.10114	8.6
123.11663	3.4
133.10065	3.1
135.08015	2.5
135.11659	8.5
145.10120	6.4
162.30144	1.7
163.11133	7.2
178.39240	2.0
229.14331	1.8
234.15047	1.9
252.15892	3.8
290.04526	1.9
335.25656	3.5
337.27206	3.1
397.79813	1.9
433.93839	1.9
489.35733	3.9
545.38141	100.0
668.38489	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	13.1
57.03156	0.7
57.03420	15.7
57.07054	3.2
59.04976	4.0
61.02897	6.0
65.03911	1.0
67.05481	100.0
68.78564	0.6
69.03392	0.9
69.07040	9.4
71.04964	3.6
73.02867	1.2
79.05463	21.6
81.03384	1.2
81.07027	42.7
83.08597	7.1
85.02860	5.6
85.06518	2.9
91.03897	1.2
91.05447	14.9
93.06433	1.3
93.07013	29.8
95.04948	3.0
95.08575	28.9
95.09055	0.7
97.02844	1.5
97.06488	0.9
97.10130	2.9
97.92350	0.7
99.08025	0.8
105.06998	6.4
107.08560	16.0
109.10122	71.4
111.08017	5.1
117.06944	2.9
119.08536	10.8
121.10079	11.3
123.11678	3.0
123.58323	0.8
131.08534	5.2
133.10057	6.0
135.11646	6.4
137.09589	3.6
138.57030	0.7
145.10083	4.0
147.11633	3.6
149.13185	3.1
151.11113	0.9
155.10612	1.8
159.11639	1.5
161.13219	1.1
163.14732	1.0
165.12819	1.0
173.11682	11.9
173.13103	1.6
194.29599	0.7
227.12753	1.0
229.14284	48.1
243.21004	3.9
261.22049	10.3
317.24667	1.2
335.25714	48.5
336.26062	1.1
400.24503	0.7
471.34183	0.9
489.35559	43.7
507.36362	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	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.8
53.03914	0.7
55.01857	0.5
55.05497	11.4
57.03422	16.1
57.07063	1.8
59.04985	4.8
60.18487	0.5
61.02904	5.2
67.05483	100.0
69.03399	1.3
69.07046	7.9
71.04960	2.5
73.02896	2.2
79.05460	19.5
81.07027	35.4
83.04963	0.6
83.08581	7.2
85.02871	5.1
85.06528	2.8
91.03931	1.3
91.05445	12.3
93.07010	26.9
95.04942	2.6
95.08573	21.3
97.02865	2.7
97.06493	0.8
97.10118	0.6
99.08096	0.7
105.07001	6.1
107.08569	13.9
109.06500	0.5
109.10124	70.4
111.08052	3.2
117.06993	3.1
119.08547	9.4
121.10103	10.8
123.08022	0.6
123.11666	2.1
125.09572	0.7
131.08499	4.0
133.10088	4.6
135.11649	6.2
137.09584	3.4
138.77985	0.5
145.10120	2.4
147.11694	2.6
149.13248	4.2
155.10683	3.3
159.11670	2.3
161.13208	2.1
163.14796	1.9
173.11700	14.3
173.13129	1.6
175.14688	0.6
176.39967	0.5
187.14893	0.9
227.12779	3.1
229.14272	55.4
233.22638	0.6
243.21054	3.4
261.22052	9.0
273.60190	0.6
317.24619	1.0
335.25696	42.1
336.26138	0.7
415.32147	0.8
434.77109	0.6
471.34686	0.9
489.35547	26.6
490.36099	0.7
496.41980	0.5
507.36740	3.0
682.10419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.1
53.03910	1.1
55.05495	16.2
56.70168	0.8
57.03415	16.7
57.04217	0.9
57.07053	2.0
59.04976	2.3
61.02904	4.5
63.05338	1.0
65.03922	1.1
66.88717	0.9
67.05479	100.0
69.03389	3.8
69.07036	7.8
71.04965	2.0
71.08620	1.0
73.02879	1.4
75.76790	1.1
79.05457	21.5
81.03407	1.6
81.07024	35.9
83.08585	7.1
85.02893	2.2
85.06532	2.1
87.99947	1.0
90.87557	1.0
91.05403	11.2
93.07008	26.3
95.04907	1.8
95.08569	26.9
97.02854	1.5
97.06501	1.0
97.10117	1.4
102.19295	1.0
102.64893	0.9
105.06975	7.3
107.08569	15.3
107.09254	1.6
109.10121	69.6
111.08054	2.3
117.06969	2.4
119.08517	7.8
121.10093	7.2
123.11700	2.0
124.99986	1.1
131.08542	4.7
133.10078	6.3
135.11647	7.4
137.09642	1.4
145.10086	2.0
147.11646	1.7
149.13208	4.2
151.14948	1.0
155.10628	1.6
159.11670	3.4
161.13193	2.1
173.11676	14.3
173.13234	4.1
187.14746	1.4
198.70006	1.0
218.54823	1.0
220.30806	0.9
229.14279	41.9
233.81641	1.1
243.20943	2.2
261.22070	8.6
264.62283	1.1
317.24554	1.0
335.25647	43.7
363.28754	1.6
489.35550	31.0
507.36603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.7
53.03920	2.0
55.01855	7.0
55.05499	17.6
57.03424	10.6
57.07043	1.1
57.67402	0.6
61.02913	2.0
66.25362	0.8
67.05479	27.0
67.48738	0.6
69.03400	1.4
69.07037	7.6
71.04956	3.8
79.05462	45.5
81.03391	9.7
81.06553	1.3
81.07024	33.9
82.83677	0.7
83.01312	6.0
83.04545	1.0
83.04961	15.9
83.08597	9.3
85.02848	3.2
85.06541	0.9
91.05441	31.0
93.06427	1.6
93.07010	48.7
95.04928	17.1
95.08569	15.8
97.02859	1.7
97.06479	4.7
97.10154	0.8
99.04389	1.6
99.61401	0.8
105.04459	0.9
105.06991	22.6
107.04927	8.7
107.08562	15.9
109.06476	7.5
109.10123	1.9
110.93802	0.7
111.04390	1.8
111.08038	1.5
113.06007	1.1
117.06958	8.6
119.08541	19.6
121.06487	2.0
121.10106	6.5
123.08024	9.0
125.05976	1.2
125.09588	1.1
127.64569	0.8
128.06197	1.1
129.06947	8.1
131.08501	3.9
133.10081	7.6
135.07945	1.2
135.11639	9.6
137.09546	1.1
143.08479	7.0
145.10071	14.1
147.08002	1.9
147.11635	17.2
153.12738	1.0
161.09570	1.1
161.13174	5.1
163.11130	15.9
171.11659	10.1
181.12085	0.8
189.12630	1.7
207.13742	5.5
209.11729	3.9
248.51193	0.8
265.14151	1.5
281.17386	21.2
283.15311	34.9
471.27362	6.9
489.28290	100.0
490.28482	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	684.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05492	18.5
57.03422	2.0
57.07047	3.7
60.23753	1.7
61.02905	3.3
62.66047	1.5
66.02597	2.0
67.05493	19.2
69.03404	7.9
69.07053	25.9
69.19106	1.7
79.05460	18.5
81.03363	8.6
81.07030	42.0
83.04945	12.9
83.08595	12.7
85.02881	25.4
85.06521	4.1
91.05422	29.4
93.07009	69.2
95.04943	12.4
95.08579	65.9
97.02840	4.5
97.06481	4.6
97.10128	2.7
99.08052	19.7
99.99065	2.1
105.07004	64.9
107.08569	90.4
109.06497	4.3
109.10110	30.1
111.08045	3.8
117.07001	11.4
119.04911	10.7
119.08543	100.0
121.06430	3.7
121.10098	56.7
123.08027	11.3
123.11681	17.4
125.09612	3.8
127.03898	3.1
129.06912	4.0
131.08519	44.2
133.10081	66.9
135.08041	14.2
135.11641	39.5
137.05917	2.8
137.09590	12.3
139.99954	2.1
142.07748	4.1
143.08527	12.8
145.10077	73.5
147.04372	44.6
147.11644	72.1
147.12784	3.9
149.09595	4.0
149.13213	22.0
155.08432	2.4
156.09341	2.6
157.10068	29.5
158.10899	2.7
159.11639	55.3
161.09590	9.1
161.13217	34.4
163.11151	7.6
163.14722	15.8
165.12823	2.6
169.10039	3.8
170.10846	4.5
171.11632	17.7
173.09554	2.8
173.13200	45.9
175.11163	4.7
175.14757	40.1
177.12718	7.8
177.16367	14.9
179.14268	4.6
180.08549	2.3
181.10030	2.1
183.11658	10.1
184.12413	2.5
185.13246	26.2
187.11153	2.5
187.14754	84.0
189.12689	3.8
189.16357	29.6
191.14307	8.5
193.15784	2.4
195.13763	4.1
197.13177	7.9
199.14746	30.6
201.12584	2.4
201.16331	44.6
203.14243	19.0
203.17929	10.5
205.15826	23.1
206.10660	2.2
209.13185	3.3
209.15109	3.1
211.14738	12.9
213.16331	22.5
215.14331	3.4
215.17946	11.2
217.15768	17.5
219.17363	4.4
221.15295	4.1
223.14824	2.5
223.16896	2.8
225.16339	3.4
227.17899	10.0
229.15828	12.1
229.19443	3.2
231.17348	18.2
233.15344	3.4
239.17912	2.8
245.18968	2.2
247.16898	3.7
307.26123	8.5
333.25708	3.1
335.23657	2.8
351.26575	4.4
362.83893	2.4
387.30249	4.1
405.31348	42.1
407.33224	2.5
423.32379	85.7
433.30896	19.9
441.33450	51.5
451.31958	54.3
459.34650	19.7
469.32996	48.4
476.78754	2.3
487.34238	30.4
505.34970	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	685.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.0
53.03925	4.3
55.01855	5.4
55.05494	20.8
57.03421	21.3
57.06785	2.1
57.07058	47.7
64.81986	0.9
67.05481	34.7
68.01211	0.9
69.03404	11.8
69.07043	12.8
69.38046	1.0
71.04967	4.3
71.08598	25.2
73.48161	1.1
78.86263	1.3
79.05465	23.8
81.03387	78.7
81.07028	33.8
83.04951	27.5
83.08598	26.6
85.02878	22.5
85.06509	1.6
85.10155	16.5
89.06007	1.2
90.96455	1.3
91.05434	22.1
92.08659	3.1
93.07019	14.3
95.01332	1.0
95.04925	24.5
95.07962	1.3
95.08567	33.0
97.02860	15.4
97.06525	2.4
97.10130	8.3
99.04404	2.3
105.06990	14.9
107.04919	6.1
107.08569	6.5
109.02837	5.5
109.06503	2.5
109.09512	1.1
109.10105	10.5
111.04421	10.5
111.08051	7.6
117.06979	2.4
119.08538	17.8
121.10115	8.2
123.08024	2.1
123.11668	6.4
125.09571	1.6
127.03896	2.4
129.05461	2.0
129.06937	9.6
131.08542	6.9
133.06406	1.3
133.10086	6.5
135.11646	1.3
137.13239	1.2
142.07730	1.7
147.08040	1.6
147.11650	12.9
149.09575	4.2
153.12706	2.3
157.10097	10.6
158.86238	1.2
163.11160	2.2
165.12706	2.7
171.36710	1.2
175.11028	11.2
181.12193	1.8
191.10635	1.3
193.12170	32.6
211.13231	38.0
211.15092	2.0
227.12785	2.4
229.14255	1.9
267.15854	10.9
285.16846	5.4
313.27271	48.0
321.72623	1.4
355.17517	2.3
368.80988	1.5
403.40460	1.4
413.71100	1.3
429.20987	22.0
505.39026	8.8
523.39746	100.0
545.38062	6.5
667.44073	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	684.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27091	1.0
53.03920	1.3
55.05488	12.8
55.11198	1.0
57.03410	1.4
57.07053	6.4
57.74878	1.1
59.04968	1.9
61.02905	1.5
64.32063	1.1
64.90100	1.0
67.05473	15.3
69.03394	5.2
69.07034	24.0
70.03084	0.9
70.66815	1.0
71.04947	1.4
73.06497	1.1
79.05452	17.2
80.74570	1.1
81.03382	2.0
81.07021	31.9
83.04946	2.2
83.08577	14.5
85.02874	8.9
85.06525	2.5
87.04427	1.6
91.05421	21.1
93.07001	65.9
95.04944	8.2
95.08566	45.2
95.09142	2.3
97.02837	1.6
97.06493	2.5
97.10133	5.0
99.04379	1.5
99.08052	30.0
105.00382	1.1
105.06990	50.6
107.08553	77.5
109.06495	1.5
109.10119	39.8
111.08030	10.3
113.86005	1.4
117.06984	7.9
119.08534	100.0
121.06451	4.6
121.10101	59.2
123.08070	4.3
123.11660	19.1
125.09591	2.8
127.03921	1.3
128.06248	1.2
129.06921	5.7
131.08519	54.5
133.10085	61.7
135.07993	5.6
135.11633	39.4
137.05952	2.7
137.09587	6.7
137.13193	1.8
139.11136	1.9
142.07774	1.5
143.08487	11.8
144.09331	2.1
145.10071	65.8
147.10463	2.7
147.11639	73.3
149.09572	5.4
149.13167	16.0
150.71602	1.1
151.11087	2.5
153.12660	1.7
155.08565	1.7
156.09308	2.8
157.10074	18.4
158.10878	5.2
159.11626	52.7
161.09584	1.7
161.13193	24.7
162.50272	1.3
163.11125	13.3
163.14758	12.0
165.12646	1.7
169.10051	6.9
170.10846	5.1
171.11623	17.9
172.12427	2.8
173.13185	44.5
173.14572	2.1
175.11108	1.6
175.14745	19.4
177.12694	6.3
177.16345	18.0
179.14276	6.3
183.11601	12.3
185.13181	29.2
187.14745	71.9
189.12633	1.3
189.16339	19.9
191.14265	2.8
191.17924	6.3
195.11589	2.2
195.13754	2.3
197.13226	6.9
199.14755	27.1
201.16315	57.8
203.14220	5.9
203.17851	5.1
205.15799	37.9
207.17488	4.0
209.13159	4.3
211.14819	4.4
213.16310	8.7
215.14244	2.9
215.17853	5.9
217.15884	6.7
219.17363	16.1
221.18866	1.6
223.14883	3.7
223.16852	22.3
225.16380	4.7
227.17928	2.7
228.09431	1.3
229.19489	1.5
231.17371	2.4
237.18520	2.2
239.17783	2.0
241.19443	2.1
245.18994	2.9
253.19385	4.9
257.18857	1.3
259.20300	2.0
263.16122	1.6
267.21194	1.9
271.20602	1.8
271.24191	1.6
283.20401	17.4
289.25104	5.0
295.20493	1.2
301.21533	5.4
307.26352	12.0
325.27249	7.8
343.28259	2.4
351.26758	7.8
369.27695	5.0
387.30209	1.8
389.31769	1.3
405.31348	21.0
407.32928	19.3
423.32526	33.1
425.33987	23.8
441.33490	83.9
443.35052	6.3
451.31903	14.4
469.33270	15.1
487.33951	12.9
539.26245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99379	2.4
55.05494	14.9
57.03404	3.5
57.07030	2.9
57.67576	2.5
61.02885	3.9
65.54269	2.4
67.05486	21.9
69.03391	10.8
69.07045	21.7
79.05453	22.9
81.03378	17.2
81.07026	36.5
83.04948	5.5
83.08585	15.3
85.02865	20.3
86.91025	2.3
91.05437	23.4
92.09400	4.6
93.07008	47.2
95.04930	10.2
95.08568	56.0
97.02864	4.6
97.06505	3.8
97.10139	10.4
99.08072	30.6
105.07002	69.1
107.04945	3.2
107.07880	4.4
107.08566	88.2
109.10124	32.7
111.08063	5.8
117.06975	11.1
119.07732	4.4
119.08541	100.0
121.06444	2.7
121.10088	58.2
123.11667	14.3
125.09653	3.0
127.03864	3.0
129.06970	4.4
130.07742	2.4
131.08521	71.1
133.06451	4.4
133.10091	61.1
135.08011	4.5
135.11662	35.3
138.59036	2.4
141.82083	2.6
143.08514	22.0
144.09280	4.2
145.02792	2.6
145.10078	66.8
147.11639	66.3
148.64478	2.9
149.09567	9.7
149.13188	19.9
155.08496	4.1
156.09190	2.4
157.10080	26.0
158.10866	2.4
159.11635	44.6
161.09511	3.1
161.13191	24.8
162.07608	2.9
163.03874	5.9
163.11128	4.4
163.14774	13.7
165.08806	2.5
165.12663	3.1
169.10057	11.1
171.11728	18.2
173.13203	47.1
175.11121	2.8
175.14757	27.5
177.12799	2.9
177.16391	23.7
180.08606	3.3
183.11617	10.5
185.13188	29.3
187.14764	82.2
189.16306	22.6
191.14226	2.7
191.17873	6.3
197.13153	9.9
199.14763	26.6
201.16327	64.0
203.14262	10.3
203.17865	4.2
205.15843	41.4
207.17416	3.5
211.14754	4.8
213.16426	8.9
215.14195	3.2
215.17911	4.6
217.15778	10.5
219.17401	17.6
223.16806	12.7
225.16486	3.5
227.17834	5.3
231.17459	4.6
247.17188	2.5
267.15720	5.1
283.20618	3.5
330.79886	2.6
351.26660	2.7
369.27621	3.9
387.30652	3.7
405.31485	23.6
407.32944	30.7
423.32495	21.2
425.33966	31.8
441.33545	71.8
443.35187	11.4
451.32108	19.3
459.34393	23.5
469.32678	16.6
487.33893	13.1
620.42566	2.7
684.26636	4.6
685.32355	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	684.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.2
55.01852	2.1
55.05285	1.3
55.05499	23.3
57.03418	3.6
57.07049	9.4
61.02900	3.1
67.05484	20.6
69.03387	9.4
69.07042	38.0
70.71117	1.5
71.04960	6.8
73.02892	2.2
75.46468	1.3
78.68036	1.8
79.05449	18.7
81.03377	7.1
81.07026	58.2
83.04955	10.7
83.08580	24.3
85.02880	17.6
85.06511	3.0
87.04408	2.4
91.05418	24.3
93.07003	100.0
94.07323	2.8
95.04931	16.8
95.08569	65.5
97.02864	6.4
97.06487	9.5
97.10108	3.9
99.04433	2.3
99.08045	7.5
103.05375	1.8
105.06994	46.4
107.08558	72.4
108.08897	1.9
109.02851	2.2
109.06509	4.1
109.10129	35.7
111.08056	11.9
117.06982	8.5
119.07733	3.3
119.08533	67.0
120.08836	3.2
121.06484	6.2
121.10099	47.7
123.08026	9.2
123.11638	14.6
125.05956	1.7
125.09563	2.8
129.06944	6.8
131.08527	29.0
133.10088	43.7
135.08025	9.6
135.10689	2.7
135.11633	23.7
137.05936	10.2
137.09576	7.4
137.13188	2.6
139.11111	7.9
139.45679	1.8
143.08527	20.1
145.10083	45.6
146.10341	2.8
147.04391	2.3
147.08035	3.6
147.11633	32.5
149.09557	8.5
149.13219	16.9
151.11172	2.6
153.09041	1.8
155.08441	2.9
156.09286	3.0
157.10083	27.6
159.11623	45.7
159.12802	3.0
161.09569	6.3
161.13173	18.5
163.11113	6.8
163.14793	18.2
165.08978	2.3
169.10011	12.3
170.10536	1.5
171.11598	22.3
173.13185	26.6
175.11153	3.6
175.14757	16.6
177.12660	3.5
177.16333	8.7
178.40581	1.8
183.11633	9.5
185.13214	23.6
186.13483	3.3
187.14742	27.8
188.15121	3.1
189.12611	3.8
189.16272	12.5
191.14229	2.4
191.17722	1.7
196.12521	2.0
197.13248	13.1
199.14746	18.9
201.12805	2.2
201.16339	17.6
203.14206	8.4
203.17889	6.0
205.15871	8.5
209.13126	2.3
211.14748	10.4
213.16270	9.7
215.14267	4.0
215.17802	3.7
217.15741	3.5
221.15308	4.2
223.14816	5.8
223.16792	2.0
225.16302	6.1
227.17804	7.5
229.15778	6.6
233.15269	2.0
235.14680	1.9
237.16188	3.6
243.17380	2.7
253.19495	4.1
255.20901	2.2
261.18375	2.2
263.17679	2.3
265.19290	2.0
269.22507	3.9
271.24176	2.3
281.18719	2.6
289.25037	12.6
295.26172	6.1
301.21503	2.5
307.26212	38.5
315.23120	2.2
325.27246	25.2
335.23169	2.4
343.28180	10.0
377.31985	2.3
387.29910	3.3
405.26093	9.4
405.31287	16.3
421.30881	9.9
422.31113	2.4
423.32419	21.8
433.31155	12.0
439.31714	3.4
441.33316	21.6
451.31870	32.8
457.32791	2.9
458.33194	7.2
459.34476	44.1
469.32996	50.0
470.33328	1.9
487.34186	30.6
505.35199	13.6
685.27905	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	684.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.01853	2.0
55.05492	16.6
57.03411	1.5
57.07054	6.7
57.35369	0.7
58.39793	0.9
59.04976	1.0
61.02895	3.7
62.63914	0.8
65.03906	1.0
67.05477	18.6
69.03411	7.0
69.03715	0.8
69.07039	24.7
71.04956	1.9
71.08575	1.7
73.02892	0.9
79.05460	21.4
81.03381	4.3
81.07023	50.3
83.04946	4.9
83.08595	11.8
85.02869	20.6
85.06512	4.8
85.93993	0.9
87.04443	3.9
87.73228	0.8
91.03924	0.9
91.05408	20.4
93.07001	50.0
95.04948	6.1
95.08568	77.9
97.02848	5.9
97.06482	6.5
97.10136	6.7
99.04389	2.0
99.08049	16.4
101.05964	4.9
105.06994	70.8
107.04933	0.9
107.08555	80.8
109.02814	1.4
109.06482	6.9
109.10117	52.4
111.08035	7.9
111.11643	0.8
113.05964	4.2
113.09589	1.0
115.03880	1.5
115.07540	3.9
117.06978	6.6
119.08534	100.0
121.06445	1.9
121.10088	47.9
123.08010	6.3
123.11655	24.6
125.05967	1.1
125.09586	3.5
127.03867	4.3
127.07512	1.2
129.05405	1.8
129.06927	2.0
129.09077	0.8
130.07719	0.9
131.08521	46.0
133.06438	3.6
133.09070	1.9
133.10078	58.1
135.04425	1.2
135.08018	1.7
135.11646	37.5
135.12688	1.4
137.05939	1.1
137.09563	1.8
137.13208	10.3
138.44096	1.1
139.07463	3.0
139.11092	3.8
141.05431	1.0
143.06982	1.6
143.08516	10.8
144.09245	1.2
145.04886	4.4
145.10071	62.7
147.08044	5.9
147.11639	90.6
149.09624	5.7
149.13206	23.6
151.07500	14.8
151.11090	3.8
151.14769	5.1
153.01837	0.8
155.06958	1.2
155.08528	0.9
156.09312	1.2
157.08641	1.7
157.10060	13.1
158.10832	3.8
159.07965	1.1
159.11635	39.9
161.09555	4.4
161.13191	27.8
163.03821	2.0
163.07520	1.4
163.11168	3.8
163.14758	19.5
165.01749	5.2
165.09032	10.6
165.12708	1.9
165.16339	3.4
167.06897	0.9
167.14273	1.4
169.08594	9.8
169.09956	1.7
171.10152	1.4
171.11572	11.2
172.12395	1.2
173.09560	1.5
173.13193	41.4
175.11121	1.7
175.14763	29.1
177.09071	1.1
177.12756	1.3
177.16322	18.6
179.03381	0.9
179.10580	7.5
179.14304	3.6
180.08595	3.8
183.02847	4.3
183.10092	5.3
183.11597	3.1
185.13173	14.5
186.13835	1.6
187.14745	93.3
189.12782	1.1
189.16293	32.0
191.10648	1.2
191.14294	1.4
191.17815	7.7
193.12122	4.3
193.15878	2.0
195.17363	3.9
197.11635	5.0
197.13257	1.4
199.14769	9.5
201.12682	1.3
201.16307	63.4
203.14406	1.9
203.17882	31.5
205.12314	0.9
205.15883	4.1
205.19498	1.0
207.13644	1.0
207.17374	3.3
211.13174	5.0
211.14824	3.3
213.16319	9.9
215.14340	1.5
215.17870	9.9
217.15791	0.9
217.19455	3.3
219.13811	1.2
219.17339	8.2
221.15337	5.7
223.16776	1.2
225.16481	1.6
227.17912	8.7
229.15842	1.4
229.19417	8.0
231.21025	0.9
235.16833	1.6
237.14711	1.0
239.16287	56.8
240.16618	1.1
241.19402	3.8
243.20930	1.8
247.16852	4.4
247.20628	1.0
249.18336	1.7
251.16280	7.9
253.17906	4.6
255.15587	1.4
255.20914	5.9
257.22449	1.3
265.17874	5.2
267.19434	3.4
269.22482	4.0
273.21942	0.9
283.24176	1.2
287.23489	1.4
289.07007	0.9
301.06934	1.2
333.24240	0.9
371.25708	1.0
371.32663	1.1
377.31927	1.4
381.02020	1.0
387.28873	3.4
395.32910	14.3
397.30780	1.3
401.30380	1.2
405.31384	1.7
413.34085	6.0
415.31943	12.3
423.32520	11.8
441.33453	84.2
442.33752	1.5
443.34869	1.4
451.31506	1.2
459.34534	51.0
469.32977	16.7
487.27853	1.0
487.34076	21.6
505.35089	9.4
684.31970	1.2
685.33252	0.9
685.55267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50447	2.2
55.01857	3.0
55.05495	29.2
57.03414	32.4
61.02905	3.4
67.05482	72.3
69.07032	23.1
71.04963	4.5
79.05459	79.9
81.07021	48.1
83.04942	15.3
83.08594	6.5
85.02901	3.7
91.05424	26.3
93.07006	100.0
95.04907	6.6
95.08569	33.1
97.06475	21.7
97.10140	16.1
105.07016	16.0
107.08566	49.6
109.10116	18.9
111.08065	3.8
117.06973	11.9
119.08541	18.2
119.09305	2.8
121.10100	20.3
123.11629	3.6
129.06981	3.5
131.08553	13.4
133.10072	7.4
134.43419	3.7
135.11647	61.3
145.10089	18.7
149.13264	5.3
153.12614	3.5
159.11639	4.0
163.11131	12.0
173.13147	3.8
181.12247	5.4
215.17914	7.0
224.15974	3.2
231.65005	4.0
233.18884	12.5
255.15817	81.4
307.22574	36.5
487.34128	60.1
526.89655	3.2
601.03558	3.1
643.39337	25.1
684.41992	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	684.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40040	1.5
53.03924	1.8
54.22461	1.4
55.05492	11.3
57.03424	2.1
57.07066	2.8
61.02906	2.1
66.44433	1.5
67.05474	17.3
69.03384	2.8
69.07032	22.7
71.04975	3.0
73.02862	1.7
79.05466	18.8
81.03419	3.7
81.07025	45.0
83.04957	8.0
83.08590	9.9
85.02883	14.2
85.06529	2.9
91.05389	17.0
92.08721	3.6
93.07015	44.8
95.04906	3.3
95.08567	62.2
95.09145	3.2
97.02847	2.7
97.06509	3.2
97.10158	2.6
97.55249	1.6
99.04433	1.9
99.07478	1.6
99.08047	11.9
101.05960	3.2
105.06992	56.9
107.08558	70.7
109.02835	2.0
109.06498	2.6
109.10123	40.1
109.73621	1.6
111.08056	3.7
113.05967	3.1
117.07000	2.9
119.08539	100.0
121.06409	2.2
121.10099	45.7
123.08086	3.8
123.11653	19.1
125.09595	3.0
126.36396	2.0
127.04021	1.9
131.08521	47.1
133.10080	52.3
135.08006	3.9
135.11635	33.5
137.05911	1.7
137.13213	8.8
139.07454	2.6
139.11102	2.0
143.08534	12.7
145.10080	60.1
147.08025	3.2
147.11644	79.9
147.12772	3.5
149.13216	16.7
151.07500	11.7
151.11086	2.4
151.14764	2.6
155.06998	1.8
156.09253	1.8
157.08740	3.0
157.10109	17.5
158.10854	2.3
159.11632	38.0
161.09583	4.2
161.13181	22.0
163.03896	1.9
163.11130	2.5
163.14784	16.0
165.09085	7.5
169.08629	3.5
169.10059	2.2
171.11621	10.2
173.09523	7.8
173.13173	43.1
175.11168	7.8
175.14755	31.2
177.12622	2.2
177.16333	15.3
179.10661	6.6
179.14255	2.4
183.10196	2.6
185.13147	12.4
187.14746	81.2
189.12685	3.3
189.16309	23.2
191.14256	2.8
191.17848	3.2
193.12192	3.6
195.17418	3.8
197.13205	1.8
199.14764	9.0
201.16327	58.3
203.14267	6.6
203.17932	12.5
205.15857	2.3
205.19586	1.6
207.13615	1.9
211.13058	2.9
213.16316	7.6
215.14293	9.0
215.17867	14.6
217.15758	2.1
219.17404	4.2
221.15269	2.6
225.16486	2.0
227.17862	8.8
229.15932	5.6
229.19466	2.8
235.16791	1.8
239.16281	46.7
241.19511	2.2
243.21062	2.6
251.16229	13.7
253.17876	3.7
255.21080	2.6
265.18079	2.5
267.19550	4.0
269.22467	2.6
371.32660	2.4
395.32843	12.0
405.31586	4.1
413.33960	2.3
415.31906	9.9
423.32330	9.3
433.30798	2.9
441.33481	92.7
451.31973	25.2
459.34616	31.3
469.33069	32.0
487.33963	27.2
489.81580	2.5
505.34796	9.9
601.45245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67285	0.5
53.00286	2.7
53.03934	4.7
55.01851	3.5
55.05495	5.7
57.03411	3.5
59.04971	2.6
60.60087	0.5
61.02891	2.6
67.05467	3.9
68.99760	3.0
69.03404	21.2
69.07040	3.0
71.01308	0.7
71.04966	26.1
73.02874	0.8
73.06521	6.1
79.05457	8.4
81.02941	1.1
81.03386	19.9
81.07027	37.7
83.04943	5.3
83.08582	0.8
85.02363	1.4
85.02877	42.0
87.00797	16.8
91.05448	3.7
92.63632	0.6
93.06421	0.9
93.07009	22.7
93.32573	0.6
95.04938	4.7
95.08587	5.3
96.20923	0.7
97.02285	0.9
97.02858	20.9
97.06490	1.4
99.04425	8.1
103.03918	3.5
105.01154	1.0
105.01829	13.0
105.07021	2.7
107.04926	0.9
107.08565	19.2
107.49403	0.5
109.02850	29.8
109.10114	4.7
111.04403	3.8
115.03870	1.1
117.01814	0.8
119.08546	1.0
123.04389	4.3
123.11694	0.8
125.02296	1.2
127.03873	36.1
129.01790	3.2
133.10072	1.0
135.11652	32.6
137.05867	0.6
139.03867	1.0
145.04909	4.4
151.03885	3.2
153.01750	0.7
153.12703	100.0
154.13074	1.2
159.02837	3.8
163.03807	0.9
165.05489	1.0
169.04901	6.9
171.02835	1.5
175.03845	0.7
181.04944	0.6
187.05937	3.3
189.03915	5.7
193.04916	3.6
203.17659	0.7
213.03871	3.9
231.04884	7.3
233.06432	0.8
247.04314	0.6
249.05978	1.5
255.05023	1.0
273.05948	15.8
315.06799	1.0
339.06888	3.1
355.41293	0.6
356.84708	0.8
357.08035	1.5
443.07849	1.0
461.09009	3.9
479.10184	2.8
548.39093	0.7
552.83826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68272	0.4
51.02357	0.4
53.03925	4.8
55.01860	2.4
55.05498	14.3
57.03419	6.1
57.07064	0.5
59.04955	0.6
61.02896	0.5
63.49697	0.5
63.61842	0.5
64.77064	0.5
65.03908	1.9
67.05480	41.0
69.03401	1.1
69.07042	8.9
69.81622	0.5
71.04962	2.2
73.06541	0.6
77.03898	0.6
79.05461	65.9
81.03387	8.1
81.06542	1.2
81.07026	35.8
83.04948	13.7
83.08585	5.5
85.02883	0.7
85.06524	2.4
91.03928	0.8
91.05443	48.6
93.07008	64.7
95.04932	20.8
95.08572	25.5
97.02873	0.9
97.06503	3.3
97.10127	2.9
103.05467	0.9
105.04514	1.2
105.06998	39.6
107.04923	5.2
107.08560	16.0
107.09243	0.5
109.06493	7.4
109.10132	4.7
110.72277	0.5
111.08057	0.7
117.06979	7.8
119.08538	25.4
121.06479	1.2
121.10107	3.1
123.08023	4.2
128.06186	2.3
129.06975	16.1
131.08562	3.0
133.10097	9.5
135.08032	0.7
135.11632	2.5
143.08519	10.1
145.10068	10.5
147.08008	2.2
147.10458	1.2
147.11638	34.7
156.09378	0.7
159.11656	0.7
161.09573	3.1
161.13199	9.6
163.11075	1.1
165.09114	0.7
168.29120	0.6
171.11627	21.5
189.12694	7.7
207.13759	13.8
225.14824	1.0
235.83618	0.6
260.61877	0.5
270.35880	0.5
281.17374	37.2
296.43262	0.6
469.29385	2.3
487.30362	100.0
488.30557	2.7
543.35980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.2
57.03396	1.7
57.07059	24.0
67.05471	11.1
69.07048	6.8
71.08616	16.9
77.16865	1.7
79.05470	8.2
81.02953	2.5
81.03391	49.2
81.07039	15.7
81.77688	1.7
83.08585	13.2
85.10151	8.4
88.33215	1.6
91.05431	12.0
91.50938	1.9
93.07008	3.2
95.04923	11.9
95.08558	13.2
96.08868	1.6
97.10177	2.6
98.81361	1.8
105.06984	7.1
107.04958	2.7
107.08534	2.7
109.10083	2.5
111.08018	2.3
119.08535	4.1
123.11661	3.0
129.06941	3.9
131.08496	4.3
142.07713	2.0
157.10016	3.6
184.07428	1.8
193.12273	3.5
196.50655	1.9
236.16348	3.9
257.34897	1.8
313.77252	2.0
409.96561	2.5
505.38699	100.0
599.82190	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76859	0.7
58.84084	0.8
61.02923	1.1
67.05473	1.9
68.74995	0.8
69.72734	0.8
79.05474	2.1
81.03399	1.3
81.07028	4.0
85.02880	4.1
91.03908	1.0
91.05447	2.2
93.07008	2.1
95.04927	1.0
95.08570	1.9
105.06963	2.1
107.08547	5.2
109.10152	1.7
119.08557	4.6
121.10124	1.0
131.08475	1.1
133.10130	3.8
135.11652	1.6
145.10072	3.7
167.50378	0.9
181.29941	1.0
185.13271	0.9
187.14848	1.0
287.05338	1.7
412.41531	1.0
439.32254	1.7
457.32758	1.4
514.68085	1.1
577.30548	1.0
619.31915	1.8
683.30243	100.0
684.31213	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35928	0.9
53.00281	1.0
53.03917	7.6
55.01856	7.8
55.05494	11.5
55.49508	0.9
56.05822	1.8
57.03411	6.2
57.07041	1.4
61.02892	5.1
67.05466	2.3
68.99756	1.0
69.03403	22.6
69.07045	2.5
71.04956	11.9
73.02872	4.9
73.75522	1.0
78.04673	1.9
79.05469	13.7
80.45984	1.0
81.03387	42.5
81.07027	33.0
83.04946	2.1
83.08582	7.2
84.08904	4.4
85.02876	57.1
85.65355	1.2
87.00804	23.6
91.03914	1.3
91.05444	8.6
93.07008	13.2
95.04932	4.0
95.08566	8.1
97.02849	22.6
99.04401	7.4
100.07539	2.1
100.11215	27.8
101.11541	14.0
102.11862	1.8
103.05417	2.6
105.01833	13.4
105.06975	13.4
107.04903	15.1
107.08558	16.4
108.04440	1.4
109.02836	23.2
109.06451	1.4
109.10134	10.4
110.05955	1.5
111.04388	2.8
112.04713	1.3
113.07018	1.3
113.09601	1.2
115.03877	1.3
115.05415	10.6
117.01830	2.7
117.06978	29.5
119.04940	1.3
119.08527	20.3
121.06473	1.1
121.10148	2.1
123.04367	5.0
123.11671	6.5
123.51479	1.1
124.05155	2.2
125.09589	2.0
127.03874	24.2
127.11141	7.6
128.06992	1.6
129.01773	1.9
129.06969	4.6
131.04851	4.7
131.08504	7.4
133.06485	1.3
133.10127	11.1
135.04391	1.4
135.11647	28.5
137.02267	1.1
139.08568	1.2
141.06946	1.6
143.04889	1.4
143.10591	4.5
144.05621	4.5
145.04916	5.5
145.06433	64.4
145.10092	1.5
147.04346	1.8
147.07957	1.6
147.11661	8.3
152.04649	2.0
153.12708	5.1
154.34283	1.1
155.05952	10.4
156.05643	12.4
157.06456	2.4
159.02814	7.4
159.07991	9.4
161.05956	6.3
161.13219	1.9
163.03848	4.8
167.06973	73.3
170.07185	1.0
173.05917	96.8
174.06641	1.7
175.07486	2.3
182.15298	7.9
183.15738	9.1
184.05133	2.5
184.15993	4.8
185.16118	1.2
187.07509	9.5
190.06175	56.4
191.03282	1.5
191.06859	2.0
193.08511	2.5
202.06219	8.7
203.06927	8.7
203.17879	11.8
205.08534	100.0
207.06485	1.5
209.16449	2.7
210.14807	6.5
210.16803	5.6
211.15140	6.4
211.17017	4.0
212.15367	5.6
213.15527	2.2
217.08533	60.3
219.10106	4.4
221.18959	23.2
227.19342	1.5
229.08369	1.4
231.04869	5.3
233.09511	1.4
235.09547	24.7
247.07417	1.6
247.09584	10.3
248.07988	1.9
251.10492	1.5
263.10593	2.2
265.08063	2.2
265.10635	41.1
269.07962	2.8
271.09537	1.9
275.07010	1.5
277.08582	1.5
279.10062	2.1
282.08780	1.5
291.09903	1.3
293.07867	1.6
301.07492	1.2
307.09418	2.8
315.08539	11.6
323.12546	2.5
330.10843	16.5
331.11621	2.8
337.10220	1.6
339.12027	1.9
351.12042	5.8
351.24338	2.4
368.12390	2.0
371.14719	4.0
373.13663	1.1
383.14691	13.7
401.15909	20.1
665.51093	2.3
683.52118	38.1
684.52240	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	682.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
55.01844	1.3
55.05487	7.5
57.03424	2.9
57.07058	1.5
59.74670	0.7
61.02900	1.5
67.05212	0.6
67.05476	7.5
69.03390	6.6
69.07038	8.9
71.04955	0.8
71.76250	0.6
72.93565	0.7
79.05453	12.9
81.03394	6.2
81.07014	24.5
83.01311	0.8
83.04942	7.5
83.08572	4.2
85.02878	14.3
85.06516	3.5
86.09654	0.9
91.05430	14.8
93.07004	31.0
95.04927	5.3
95.08562	28.0
97.02855	5.9
97.06477	3.2
97.10152	1.8
99.04430	1.2
99.08037	16.3
105.06982	28.2
107.04924	1.2
107.08551	47.8
107.61220	0.9
109.02843	1.4
109.06480	3.1
109.10110	15.9
111.08025	3.4
117.06984	5.3
119.08531	46.4
121.06449	5.2
121.10088	19.7
121.10883	1.2
123.08009	5.5
123.11624	5.7
125.09572	3.4
127.03819	1.5
129.06982	4.4
130.07729	0.7
131.08508	29.1
133.10072	24.8
135.04350	1.1
135.08011	4.8
135.11642	10.9
137.09604	3.4
138.77612	0.8
141.06908	1.2
142.07703	1.4
143.08479	17.6
144.09311	1.2
145.10060	32.6
147.07964	1.8
147.11633	22.8
149.09570	4.0
149.13220	6.2
151.11124	1.5
153.09064	1.1
155.08501	4.5
156.09306	1.7
157.10069	22.5
158.10768	1.1
159.11618	27.2
161.09570	3.1
161.13162	14.2
163.11070	5.4
163.14763	3.8
165.12611	1.2
168.09261	1.2
169.10037	14.7
170.10881	2.0
171.11620	14.6
173.13182	26.5
173.14565	1.3
175.11104	1.5
175.14729	9.4
177.12761	1.2
180.08536	0.9
181.10023	1.7
183.11615	15.4
185.09554	1.0
185.13164	21.0
187.14738	18.4
189.12686	4.2
189.16257	3.2
191.14275	3.4
193.09917	1.0
193.12186	1.2
195.11658	5.6
196.12291	1.4
197.13214	13.8
198.14047	1.1
199.11130	0.9
199.14767	17.5
201.12654	1.0
201.16299	9.8
203.14273	7.3
205.15842	4.7
207.11714	1.5
209.13153	6.1
211.14738	9.2
213.16270	10.0
215.14311	3.9
215.17914	1.5
217.15750	2.8
219.13745	1.2
221.13200	4.1
223.14745	4.5
225.16290	5.2
227.17851	1.4
229.15857	1.3
231.17348	1.9
235.14725	3.5
237.16338	3.9
239.17853	5.5
241.19466	1.2
244.53368	0.9
251.17874	4.8
253.15785	0.9
253.19411	3.9
255.17503	1.4
263.17868	4.1
265.19492	1.6
267.17627	0.8
267.20801	1.8
269.18985	3.9
271.20599	1.5
277.19421	1.4
281.16003	1.0
281.18753	7.5
281.21625	0.8
283.20581	1.0
285.21906	1.9
291.21011	1.3
297.22034	1.2
299.19962	6.3
304.10846	0.9
305.24710	1.4
311.23416	1.3
317.20782	2.6
319.23978	1.4
331.24115	1.9
333.22110	1.5
349.25162	5.6
363.26581	1.6
367.26028	1.7
385.27420	4.1
391.29840	4.4
403.29810	10.6
409.26721	1.8
409.31363	1.6
413.26797	0.9
421.30792	25.1
431.29053	1.1
437.30258	3.0
439.31900	15.4
449.30292	10.7
457.32928	100.0
458.33002	1.2
467.31390	27.6
485.32358	7.4
491.26160	1.7
503.33566	4.4
629.36438	5.4
705.80719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95118	1.3
55.01858	1.8
55.05499	12.4
57.03416	1.9
57.07068	1.8
61.02901	1.2
61.18356	1.2
64.42751	1.1
67.05489	9.4
69.03406	8.6
69.07043	12.8
70.56590	1.2
71.04961	2.3
73.02866	1.9
79.05457	15.6
81.03378	2.6
81.07025	28.3
83.04922	3.3
83.08607	9.1
85.02866	22.2
85.06519	2.2
87.04411	1.6
89.09983	1.2
91.05428	14.4
93.07004	35.8
95.04934	7.1
95.08574	41.8
97.02870	7.7
97.06465	2.6
97.10117	1.4
99.04393	1.3
99.08070	13.1
105.06994	41.5
107.08556	87.7
108.43091	1.4
109.06503	6.6
109.10109	18.0
110.49246	1.2
111.08021	2.5
117.06983	7.5
119.08535	100.0
121.06487	2.6
121.10100	29.2
123.08041	13.1
123.11632	1.9
125.09544	1.5
127.03876	2.1
128.06117	1.4
129.06929	2.8
131.08513	34.5
133.06561	1.3
133.10072	48.6
135.07990	14.5
135.11639	23.3
137.09595	3.1
143.08530	20.0
145.05005	1.8
145.06432	1.5
145.10071	58.0
147.08032	2.4
147.11658	35.9
149.09567	7.4
149.13226	11.4
149.64059	1.4
151.11101	1.7
155.08519	7.2
156.09303	3.2
157.10069	27.9
158.10858	2.1
159.08052	5.4
159.11638	40.1
161.09575	11.9
161.13199	29.0
163.03894	1.4
163.07448	2.3
163.11108	2.1
163.14777	16.0
169.10069	8.7
170.10899	1.6
171.11618	23.5
173.09550	10.0
173.13190	38.3
175.11160	11.4
175.14795	21.7
177.08995	2.4
177.12737	1.7
177.16386	6.1
179.14250	9.3
180.08730	1.9
181.10075	2.0
183.11589	14.3
184.12386	1.6
185.13184	27.1
187.11169	3.3
187.14738	60.4
189.12700	7.9
189.16318	14.6
191.14268	8.2
193.15814	1.8
195.11620	3.0
197.13239	13.1
199.10944	1.8
199.14784	24.8
201.12685	3.3
201.16331	23.9
203.14255	15.0
203.17918	2.3
205.15874	5.8
207.11775	2.3
207.13750	1.6
209.13216	7.8
211.14720	12.3
213.12654	2.2
213.16296	20.4
213.18007	1.8
215.14240	11.1
215.17831	2.4
217.15837	5.5
219.13823	2.5
220.12352	1.8
221.15309	2.4
223.14786	2.3
225.16209	2.1
227.14297	4.8
227.17909	7.2
229.15822	9.3
229.19366	2.0
231.17415	2.4
233.15271	4.7
235.14848	2.0
237.16376	2.7
239.17926	6.4
241.15814	2.3
241.19397	2.6
243.17343	2.8
245.15407	2.9
247.16913	6.2
251.17989	2.2
253.19412	1.9
255.17354	1.9
255.21011	2.6
259.16922	9.0
263.17966	1.8
281.18875	1.5
295.20471	1.8
331.23895	1.8
333.22015	1.9
349.25098	2.7
367.26059	2.9
391.29730	2.9
403.29898	15.2
419.29126	2.1
421.30850	51.6
431.29385	2.9
435.23517	1.7
437.30176	2.8
439.31909	46.1
441.29761	23.8
449.30289	26.9
457.33041	52.4
467.31390	48.6
485.32462	88.6
503.26599	1.6
503.33527	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	682.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05503	10.9
56.30205	1.2
57.03405	1.7
57.07056	2.8
58.67379	1.3
67.05490	14.5
69.03400	11.2
69.07045	15.6
71.04950	2.0
76.53412	1.6
79.05459	16.7
80.22160	1.6
81.03376	9.5
81.07016	26.8
83.04942	6.1
83.08588	3.6
85.02860	20.7
85.06493	3.9
86.09648	1.8
91.05424	21.2
92.05788	2.1
92.18300	1.6
93.07010	44.9
93.52463	1.6
95.04929	9.1
95.08572	29.3
97.02867	8.6
97.06498	8.0
99.04393	1.8
99.08045	18.6
100.11217	6.4
105.06993	48.9
107.08558	62.6
109.06472	6.8
109.10120	16.8
111.08057	7.6
116.37415	1.7
117.06978	12.2
117.38394	1.5
119.08534	62.6
121.06477	6.3
121.10094	34.6
122.05993	2.5
123.08025	7.1
123.11666	6.6
125.09518	1.8
127.03843	1.9
129.06961	6.4
131.08517	47.1
133.06444	2.6
133.10078	47.6
135.07994	8.9
135.11610	13.1
137.05934	1.5
137.09558	7.3
140.07016	2.5
142.07739	3.0
143.08513	19.2
145.04927	1.8
145.10080	53.6
147.08015	8.9
147.11632	53.8
149.09590	7.6
149.13217	9.6
153.05383	1.7
153.12688	2.0
155.08521	7.2
156.09320	3.5
157.10065	32.3
159.11646	43.7
161.09557	8.1
161.13191	17.7
163.11136	9.1
163.14766	3.2
168.09248	1.7
169.10042	14.5
170.10860	3.1
171.11600	38.2
172.03870	6.3
173.13193	37.5
174.13577	2.2
175.11153	10.4
175.14780	12.2
177.12729	2.9
180.08575	2.7
181.10078	6.2
183.11606	32.3
184.12340	1.7
185.13174	27.9
187.11125	2.1
187.14748	34.3
188.15056	1.6
189.12669	10.3
189.16348	3.7
191.10655	1.9
191.14226	8.6
193.12222	1.8
195.11638	5.8
196.12373	2.6
197.13171	16.4
199.14755	23.9
201.12672	6.9
201.16353	15.7
203.14206	13.0
204.06523	7.3
205.15797	7.2
208.12346	1.6
209.13239	8.8
211.13242	3.9
211.14804	16.4
212.15225	2.2
213.12723	2.0
213.16284	14.7
215.14328	3.9
215.17825	3.8
217.15916	7.1
219.13716	1.6
221.13123	6.3
221.15150	4.9
223.14793	3.3
225.16362	6.7
227.14246	1.9
227.17795	2.8
229.15875	6.4
235.14711	2.2
239.17879	3.4
241.15878	2.3
243.17383	2.2
251.17860	8.6
253.15576	1.9
253.19374	7.1
263.17908	3.0
265.19455	2.2
271.20316	2.6
281.18942	1.9
285.22092	2.6
299.19885	26.4
309.12155	2.7
319.24210	1.7
331.24072	3.0
338.15817	6.0
349.25217	8.1
367.26248	8.8
369.14435	3.2
385.27313	3.2
391.29889	13.4
403.29800	12.2
409.30988	8.5
421.30835	23.8
429.07376	1.6
437.30200	8.3
439.31909	32.4
449.30313	8.3
455.31351	10.1
457.32956	100.0
467.31378	17.7
485.32358	13.7
503.33374	6.6
519.32825	7.4
520.33325	13.4
681.49084	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
55.41800	0.4
57.03417	2.7
61.02901	4.9
67.05495	3.9
69.03393	3.5
69.07049	1.9
73.02898	4.2
74.21764	0.4
76.54821	0.4
77.89556	0.5
79.05464	3.0
79.72871	0.4
81.03403	3.9
81.07024	6.2
83.04939	1.7
83.08562	1.5
84.39921	0.5
85.02871	7.0
91.03926	2.7
91.05435	4.7
93.07019	4.8
95.04962	1.8
95.08567	2.2
97.02843	4.2
97.06494	0.8
99.04431	0.6
101.02356	2.6
105.06995	3.6
107.08565	2.0
109.02848	1.0
109.06525	0.6
111.08084	0.5
115.03897	0.5
117.06980	1.0
119.08477	1.4
121.10117	2.1
123.08049	0.6
127.03886	1.0
129.06978	0.7
131.08548	2.0
131.42490	0.4
133.10081	0.9
135.11632	0.5
145.10022	0.5
147.11685	1.0
149.13229	0.9
157.10063	1.7
159.11642	0.5
175.11121	0.5
190.98526	0.4
191.03381	0.5
193.12196	1.0
195.13774	0.5
235.13008	1.0
243.08466	2.9
251.12502	0.6
277.79944	0.4
301.48883	0.5
307.15063	0.5
370.72607	0.5
453.20657	6.6
469.20343	9.5
681.34363	100.0
682.34747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01857	0.6
55.05489	4.1
55.66821	0.3
56.07234	0.3
57.03432	2.6
57.07036	0.4
61.02896	0.9
67.05476	6.9
69.03405	2.7
69.07043	4.5
71.04966	2.4
73.02871	0.6
79.05458	10.5
80.82851	0.4
81.03395	3.2
81.07023	7.4
83.04947	3.4
83.08591	1.5
85.02874	6.9
85.06507	0.9
86.09680	3.2
89.06012	1.4
91.03927	0.4
91.05442	10.7
93.07001	18.5
95.04932	3.3
95.08569	7.6
97.02843	2.5
97.06488	1.9
97.10147	0.7
99.04377	0.6
99.08055	5.7
101.06007	0.5
105.06991	12.6
107.04907	1.5
107.08557	35.0
109.02901	0.4
109.06489	0.8
109.10103	4.1
109.38167	0.3
111.07993	0.4
113.09676	0.4
117.06970	2.7
119.08533	17.8
121.06437	2.6
121.10092	6.5
123.08044	1.4
123.11654	1.5
124.99971	2.0
127.03862	1.5
128.06151	0.5
129.06956	2.7
131.08513	11.1
133.06490	0.6
133.10078	16.0
133.11053	0.7
135.08002	4.1
135.11644	9.5
137.09538	0.7
142.07704	0.8
143.08513	6.5
145.04958	0.6
145.10074	9.1
147.08034	1.7
147.11627	11.1
149.09583	1.9
149.13229	2.1
151.07451	0.5
151.11166	0.5
153.12746	0.4
155.08493	2.0
156.09297	0.9
157.10046	8.6
157.11206	0.4
159.07983	0.8
159.11621	7.8
161.09583	2.2
161.13194	7.0
163.11183	1.5
163.14752	0.6
165.12682	0.6
168.09306	0.4
169.10023	3.1
170.10864	0.5
171.11647	6.6
173.09575	0.9
173.13211	8.2
175.11101	3.0
175.14781	3.1
177.12680	2.2
179.14333	0.8
180.08543	1.3
181.10114	1.9
181.12251	0.5
182.10818	0.6
183.11604	4.5
184.05751	0.6
184.07268	7.8
185.13177	5.1
187.11115	0.8
187.14792	5.9
189.12682	1.9
191.03372	0.6
191.14191	0.4
193.09961	0.6
193.12222	1.6
195.11588	2.8
196.12442	0.7
197.13203	7.2
198.13857	0.5
199.11078	0.9
199.14886	2.9
201.12715	0.7
201.16339	1.5
203.14304	1.6
207.11667	1.9
207.13606	0.5
209.13168	3.7
211.14720	3.0
213.12737	0.6
213.16313	2.5
215.14278	1.8
219.11722	0.5
221.13184	2.1
223.14738	2.4
225.16315	2.5
227.14301	1.5
227.17827	0.6
229.15854	0.9
231.13692	0.8
233.13217	0.5
235.14740	0.7
237.12798	0.5
237.16269	2.1
239.17928	1.9
241.15752	3.2
243.17445	0.7
245.19054	0.4
249.16246	2.0
251.17870	2.4
253.15742	0.8
253.19423	0.9
255.15613	3.1
261.16190	0.6
263.18085	0.8
265.19513	1.4
267.15436	2.0
267.17432	4.0
269.18915	0.5
271.17007	0.6
271.20297	0.5
273.18594	0.6
275.17886	0.6
279.17395	1.9
285.16785	0.6
289.17944	1.9
295.20352	0.5
297.18350	7.2
305.19147	0.4
309.21960	0.5
315.19482	3.8
317.22519	0.7
319.24164	0.5
321.22000	1.5
323.23929	0.5
325.25064	0.6
331.20554	0.5
335.23526	7.7
337.25034	0.6
347.23477	0.6
353.24518	1.5
365.24612	6.6
383.25644	16.9
389.28140	2.7
391.29935	0.5
393.28030	0.5
401.28284	1.4
407.29285	5.1
419.29321	4.9
425.30511	1.7
435.28699	0.4
437.30310	12.5
447.27377	3.6
453.29877	1.6
455.31372	100.0
456.31714	2.8
465.28439	10.0
483.30804	3.3
501.32825	0.9
517.72253	0.4
579.64288	0.4
664.50031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01851	0.6
55.05500	3.2
57.03421	3.1
57.07050	0.4
59.04940	0.3
60.08133	0.6
61.02903	0.8
62.46092	0.3
67.05144	0.4
67.05483	6.5
67.05824	0.6
69.03403	1.9
69.07050	4.6
71.04965	1.9
72.68788	0.4
73.02873	0.4
77.18122	0.4
79.05463	10.5
81.03403	2.5
81.07025	9.3
83.04958	4.1
83.08583	1.9
85.02882	7.1
85.06512	1.9
86.09663	4.0
89.05978	1.5
91.05444	10.7
93.07010	18.2
94.61647	0.4
95.04914	3.4
95.08557	7.9
97.02845	2.0
97.06501	2.2
97.10139	0.6
99.08064	5.1
101.05985	0.5
105.06994	12.0
107.04934	0.6
107.08562	32.9
109.06493	1.3
109.10119	3.8
110.02502	0.4
111.08054	1.4
116.39600	0.4
117.06975	3.3
119.08537	15.9
121.06449	2.0
121.10106	7.0
123.08041	2.3
123.11672	1.5
124.99963	2.9
125.09544	0.3
127.03883	1.4
128.06151	0.8
129.06960	2.5
131.08522	10.7
132.90750	0.4
133.06461	0.5
133.10088	12.8
135.08023	4.2
135.11658	9.2
137.09523	0.6
141.07008	0.4
142.07751	0.7
143.08511	4.4
144.09247	0.5
145.10078	8.9
147.08017	2.4
147.11635	10.5
149.09567	1.6
149.13232	1.7
153.12715	0.5
155.08487	2.4
156.09279	0.4
157.10080	7.6
158.10899	0.3
159.08012	0.5
159.11638	8.2
161.09552	2.6
161.13191	7.9
163.11142	1.5
163.14799	0.5
165.12686	0.7
166.14410	0.4
168.09268	0.4
169.10045	3.9
170.10934	0.5
171.11624	5.6
173.09523	0.5
173.13193	8.2
175.11151	2.7
175.14743	3.4
177.12723	1.9
179.14308	1.4
180.08562	0.9
181.10062	1.7
182.10786	0.7
183.11595	4.6
184.07263	9.3
185.09599	0.6
185.13196	4.7
187.11050	0.9
187.14758	5.9
189.12733	1.9
191.14279	0.4
192.74690	0.4
193.10034	0.7
193.12100	0.6
195.11629	3.4
197.13203	6.0
199.14735	4.7
201.12750	1.5
201.16342	2.4
203.14281	1.8
207.11662	0.8
207.13673	0.4
209.13228	2.4
211.14890	3.6
213.12775	0.6
213.16296	2.4
215.14273	2.2
217.15868	0.6
221.13193	1.8
223.14780	2.3
225.16325	1.8
227.14267	1.5
227.17839	1.2
229.15750	1.7
231.13708	0.6
231.17329	0.6
233.13258	0.7
234.13950	0.4
235.14784	1.5
237.16286	2.1
239.17773	2.6
241.15831	2.2
243.17294	0.7
247.14682	0.4
249.16301	1.9
251.17796	3.0
253.15782	0.6
253.19377	0.5
255.15616	3.1
261.16263	0.5
263.17795	0.8
265.19489	1.9
267.15555	2.1
267.17456	4.6
271.16788	0.4
275.17902	0.5
279.17404	1.3
285.16452	0.5
287.17731	0.4
289.18060	0.8
293.22794	0.4
297.18402	7.1
305.22385	0.4
309.25580	0.5
315.19415	4.8
317.22592	0.5
319.24033	0.7
321.21942	0.5
323.20001	0.5
323.23734	0.5
333.21933	0.5
335.23602	7.6
337.25174	1.8
347.23584	0.7
353.24521	1.6
365.24631	7.0
383.25687	19.3
389.28134	1.8
401.28418	0.7
407.29150	5.1
419.29318	5.2
425.30545	1.5
437.30365	13.7
447.27335	3.4
453.29520	1.3
455.31400	100.0
456.31824	2.1
465.28464	10.5
483.30841	3.4
501.31982	1.7
630.33673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05487	2.0
57.07042	0.6
61.02900	1.9
67.05482	4.4
69.03404	4.1
69.07041	3.3
71.04957	3.5
75.87346	0.6
79.05465	6.3
81.03381	2.5
81.07027	10.4
83.04943	1.1
83.08568	0.7
83.58245	0.6
85.02880	8.3
85.06482	0.7
86.09673	3.1
91.05435	7.1
93.07008	15.4
95.04923	2.4
95.08569	8.0
97.02857	3.1
97.06490	2.5
99.04413	2.1
99.08058	6.2
105.06998	12.6
107.08559	24.1
109.02847	1.0
109.06476	3.3
109.10099	5.3
110.94891	0.5
111.08064	1.2
113.06023	0.6
117.06995	2.1
119.08537	17.4
121.06467	4.4
121.10097	7.2
123.08035	2.1
123.11664	2.5
124.99951	0.9
125.09569	0.5
127.03893	1.0
129.06972	2.1
131.08531	11.1
133.10085	14.7
135.08060	4.6
135.11674	6.3
137.05893	1.0
137.09601	1.2
141.06799	0.6
142.07722	2.0
143.08530	8.2
144.09328	0.8
145.10083	12.9
147.08037	3.6
147.11639	20.2
149.09554	2.0
149.13132	0.7
151.07530	0.9
151.11143	1.3
153.09125	0.6
153.12715	6.2
155.08508	2.3
156.09286	1.2
157.10072	11.4
158.10846	1.0
159.08014	0.7
159.11646	11.3
161.09526	3.8
161.13211	7.4
163.07462	0.7
163.11174	2.8
163.14819	0.6
165.09081	1.2
168.09322	0.8
169.10037	5.0
169.12114	0.6
170.10832	0.9
171.11624	9.8
173.09663	0.9
173.13196	13.2
175.11180	2.6
175.14778	0.9
179.10658	0.9
180.08575	0.8
181.10077	1.1
183.11644	8.0
184.07307	4.9
185.13188	8.1
187.11125	1.2
187.14807	5.9
189.12671	3.4
195.11642	3.0
197.13165	7.1
199.11185	0.9
199.14787	9.3
201.12747	2.8
201.16350	2.8
203.14296	0.9
205.12134	0.6
207.11690	2.1
207.13698	0.9
209.13278	2.5
209.33006	0.5
211.14761	4.6
213.16379	4.3
215.14250	1.1
217.15918	0.9
219.13823	0.7
221.13142	1.1
223.14738	2.4
225.16409	2.3
227.14255	1.1
227.17805	0.7
229.15804	1.2
235.14812	0.7
237.16415	1.8
239.17769	1.1
251.17938	3.1
253.19377	1.3
267.17615	0.9
267.20786	0.7
295.15710	0.6
297.18457	2.6
315.19418	14.6
335.23608	0.6
337.25211	0.8
347.23511	0.8
365.24603	2.6
383.25626	15.3
383.30350	0.6
407.29373	2.2
419.29349	4.6
437.30289	10.3
455.31409	100.0
456.31879	2.7
465.29922	1.0
483.30878	3.4
501.31985	2.8
563.03943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.4
55.01850	5.5
55.05486	25.4
57.03414	22.6
57.07047	4.1
60.48701	3.2
65.03880	4.4
66.09582	3.1
67.05482	91.9
69.03403	20.0
69.07039	22.4
71.04947	6.2
79.05458	62.6
81.03397	81.0
81.07031	67.4
83.04933	20.0
83.08591	4.8
84.41843	3.6
85.02872	17.2
89.04900	4.7
91.04908	4.9
91.05448	100.0
93.07008	77.3
95.04918	6.4
95.08576	67.1
97.02853	17.1
105.06989	23.2
107.08576	39.4
109.10123	38.2
111.04386	4.0
117.06962	8.2
119.08542	95.3
121.06454	6.5
121.10083	19.9
127.51542	4.3
131.08514	17.1
133.10025	6.5
135.11658	6.5
137.09573	41.3
143.08430	6.9
145.10017	9.2
147.07990	5.9
153.09102	7.1
157.10057	4.9
159.11661	4.8
165.09077	26.9
171.07822	4.4
173.13237	7.6
183.10158	6.8
239.12711	6.9
257.13834	6.7
331.69980	4.5
335.25647	58.8
401.17850	5.8
401.77582	4.0
426.36414	4.2
499.33951	8.4
517.34882	44.1
661.39093	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	679.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.6
55.05498	2.5
57.03421	2.1
59.22985	0.5
61.02911	4.6
67.05487	3.4
69.03414	3.2
69.07044	0.9
69.86557	0.4
71.04984	0.5
73.02882	3.9
79.05477	4.7
81.03384	5.9
81.07031	4.7
83.04962	2.5
83.08590	0.9
85.02869	6.6
86.09658	0.5
91.03922	2.8
91.05446	6.8
93.07014	4.7
95.04945	2.5
95.08567	2.0
97.02869	4.3
97.06534	0.5
97.10123	0.4
99.04423	0.9
99.83188	0.5
101.02329	1.7
105.06998	5.1
107.04933	1.9
107.08553	4.3
109.02824	0.8
109.06494	0.6
109.10132	0.6
117.06963	0.5
119.08514	5.1
121.10107	0.9
125.00015	0.6
127.03877	1.0
127.89323	0.5
129.06970	2.1
131.08546	2.5
133.10068	3.8
135.08023	0.7
135.11665	0.6
145.10144	2.1
147.04367	0.6
147.08005	0.7
147.11668	1.8
149.09587	0.6
153.46776	0.6
157.10089	2.7
159.11662	0.8
161.13266	0.5
163.11206	1.8
173.13303	0.5
175.11165	0.9
184.07338	0.9
193.12236	2.1
211.13277	0.6
233.11476	0.7
243.08405	2.8
251.12552	1.1
285.17099	0.5
381.24127	0.9
382.24500	0.6
435.28699	0.8
451.19205	8.6
453.29694	5.8
454.30099	5.2
469.20108	7.5
679.32727	100.0
680.32635	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	679.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
55.05491	2.1
57.03415	2.7
61.02906	6.1
67.05483	5.0
67.62225	0.4
69.03411	3.5
69.07043	1.0
71.04963	0.7
73.02888	4.8
75.99469	0.4
79.05470	3.6
81.03388	2.2
81.07024	8.1
83.04945	1.1
83.08585	0.9
85.02853	4.3
86.09679	0.7
91.03925	4.0
91.05447	3.1
92.08653	0.5
93.07005	6.0
95.04887	0.7
95.08571	2.7
97.02848	4.6
97.06495	0.8
99.04400	1.0
101.02334	2.9
105.06988	0.6
107.08587	3.3
109.02888	0.6
109.10160	0.6
117.07003	0.7
119.08515	1.0
121.10124	2.4
127.03905	0.7
131.08536	0.8
133.10136	0.8
135.11626	0.8
136.55962	0.5
145.10075	2.0
149.13229	2.3
159.11655	2.1
163.11147	2.7
177.12842	0.5
184.07324	2.4
215.94014	0.5
235.12900	0.6
243.08316	3.0
250.25266	1.0
268.26340	0.5
291.15543	0.6
319.06381	0.5
453.20792	11.6
467.18765	6.4
517.27527	0.6
679.32721	100.0
680.33466	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86861	0.4
53.03929	0.6
55.01851	0.6
55.05486	3.0
57.03412	2.5
61.02903	7.2
67.05489	4.2
69.03397	3.1
69.07036	1.1
69.41483	0.4
70.81612	0.3
71.04976	0.5
73.02879	5.5
79.05450	4.4
79.62417	0.4
81.03384	6.7
81.07018	6.3
83.01314	0.5
83.04942	2.0
83.08591	2.1
85.02880	7.6
86.09669	1.8
87.04439	0.4
91.03922	5.6
91.05444	4.1
92.08676	0.4
93.06999	4.8
95.04953	2.1
95.08559	1.9
97.02841	6.1
97.06477	1.0
99.04480	0.6
101.02334	2.4
102.72194	0.4
104.31292	0.4
105.06973	3.8
107.04963	0.5
107.08552	2.5
109.06492	0.5
109.10156	0.8
111.08043	0.6
117.06969	0.8
119.08555	2.0
121.10099	0.9
123.08029	0.6
124.99867	0.4
127.03877	1.9
131.08519	2.0
133.10042	1.7
135.11652	1.7
145.02789	0.5
145.10143	0.9
149.13202	0.7
157.10083	1.8
163.11107	2.1
175.11182	0.6
176.98199	0.5
177.05405	0.7
184.07236	3.2
193.12193	1.1
195.13744	0.7
203.05217	0.5
243.08412	2.9
269.17456	0.5
283.15286	0.5
359.13037	0.5
365.09756	0.5
406.53720	0.5
451.19305	1.8
453.20865	4.5
467.18643	8.9
499.30154	0.6
543.67737	0.5
679.32715	100.0
680.32965	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	678.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14061	0.1
56.04006	0.1
56.05010	0.2
58.06575	0.3
60.08140	7.9
64.42748	0.1
67.05476	0.3
67.49182	0.1
70.06535	0.1
71.07344	4.0
78.29475	0.1
79.05466	0.3
81.03368	0.2
81.07001	0.3
85.02867	0.3
86.09670	46.0
91.05445	0.9
92.09338	0.3
93.07007	0.3
95.04935	0.2
95.08561	0.2
98.98421	3.6
104.10703	3.3
105.06978	0.6
107.08538	0.1
119.08549	0.3
124.99951	31.4
143.01035	0.6
143.14075	0.1
163.96912	0.1
170.91684	0.1
174.66011	0.1
184.07271	100.0
185.07663	0.3
190.33484	0.1
201.98128	0.1
267.56482	0.1
286.50989	0.2
307.00116	0.1
310.54883	0.1
322.58411	0.1
326.16965	0.1
368.85184	0.1
407.97690	0.2
468.23126	0.2
480.59113	0.1
660.34357	0.6
678.35876	14.9
693.94165	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	678.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.8
53.03928	1.8
55.01852	5.7
55.05492	12.4
57.03415	13.6
57.07054	1.2
61.02896	5.4
65.03896	1.3
67.05480	42.0
67.59991	0.8
68.97591	0.7
69.03412	7.4
69.07040	20.6
71.04948	6.5
73.02879	1.7
79.05459	22.0
81.03384	39.9
81.06545	1.7
81.07025	44.6
83.04955	15.4
83.08588	16.4
85.02877	18.6
85.06509	4.9
86.09676	1.6
87.00778	1.2
87.04441	1.2
89.06004	7.7
91.03939	0.9
91.04900	1.6
91.05445	39.2
93.07008	23.1
95.04922	20.4
95.08563	10.1
97.02840	4.5
97.06487	4.9
97.10127	1.9
99.04414	3.6
99.08076	1.6
103.05408	1.2
105.06994	32.9
107.04923	6.1
107.08557	29.5
109.02835	1.0
109.06471	5.7
109.10120	50.5
111.04394	1.1
111.08044	6.5
113.05959	3.7
115.05322	1.0
117.06932	1.3
119.04903	0.9
119.08539	15.5
121.02815	5.4
121.06452	13.4
121.10092	6.6
122.33927	0.7
123.07968	1.2
123.11672	8.5
125.00004	1.3
125.09573	0.8
127.03876	1.0
127.07519	3.3
129.06984	5.6
131.04865	1.5
131.08528	8.8
133.06454	1.8
133.08498	3.4
133.10083	65.6
135.08003	1.1
135.11542	0.8
137.05925	0.8
137.09608	1.0
143.08565	1.0
145.10112	1.9
147.08009	3.3
147.11658	9.0
149.09579	2.9
151.11136	27.7
157.10062	9.2
159.11644	0.9
161.09520	1.9
165.09058	3.5
165.12663	3.0
169.12178	4.8
173.13150	1.5
175.11121	7.9
183.11624	0.9
184.07211	5.7
193.12169	24.0
211.13222	32.5
253.14246	100.0
267.15817	6.3
271.15298	29.6
283.15588	0.9
285.16879	17.7
318.95502	0.9
413.28802	9.6
425.30402	1.4
430.94684	1.0
445.25861	5.7
453.29996	4.5
463.26639	25.0
481.27811	55.4
682.21631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.1
53.03918	2.4
53.93943	1.3
55.01841	2.2
55.05493	18.0
57.03405	8.8
57.07050	2.9
61.02904	23.7
65.38409	1.1
67.05482	90.8
69.03409	4.8
69.07040	18.3
71.04950	6.0
73.02883	11.7
73.03228	1.6
79.05463	57.3
81.03352	2.5
81.07023	100.0
83.04925	1.5
83.08588	11.7
85.02876	23.4
85.06485	2.4
86.09661	1.7
91.03923	21.0
91.05445	29.9
92.09396	2.3
93.07010	72.3
94.76765	1.3
95.04913	6.0
95.08569	76.2
97.02856	10.5
97.06490	2.1
97.10134	1.6
99.04418	1.5
99.08036	1.9
105.06998	20.5
107.07896	2.2
107.08566	41.7
109.06499	2.4
109.10118	34.4
111.08034	2.4
117.06989	10.9
119.08551	17.2
121.10102	38.6
121.54893	1.2
123.08009	1.5
123.11643	15.0
127.03844	4.9
131.08530	26.7
133.10081	12.8
135.11633	27.4
136.21983	1.2
137.13165	2.1
145.04884	6.2
145.10086	16.4
147.11661	10.5
149.13199	20.9
151.14743	1.6
159.11607	12.9
161.13176	13.2
163.05969	5.4
163.11157	2.0
163.14789	10.2
173.13202	14.3
175.14813	2.3
177.16319	1.8
179.14285	1.7
187.14723	9.1
191.14253	1.6
233.22591	1.5
243.20985	22.0
261.22046	61.0
279.23065	1.6
280.10165	1.3
335.25699	25.0
353.26685	29.6
358.80881	1.4
451.18576	1.6
451.61392	1.5
458.81851	1.7
497.31027	4.5
639.02698	1.4
676.38605	2.8
677.30188	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	677.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76379	0.1
55.05487	0.2
65.03920	1.4
67.05482	1.1
68.99739	0.1
69.03407	0.8
82.07162	0.1
83.04948	3.5
85.02879	1.4
86.63398	0.1
87.04449	0.1
91.05440	11.9
93.03369	2.3
95.04926	0.8
99.00790	0.2
107.04901	0.1
111.04407	5.5
111.05177	0.2
112.13528	0.1
119.04899	36.3
120.05209	0.2
121.02837	1.1
123.04354	0.2
129.05432	2.5
139.03864	2.7
145.53156	0.1
147.04362	100.0
148.04706	0.7
157.04912	1.9
163.03864	0.2
165.05370	0.2
175.05954	1.4
203.03304	0.4
239.71272	0.1
250.56375	0.1
273.05966	0.2
292.56885	0.1
303.08475	0.7
311.05362	0.1
321.09470	1.0
447.10873	0.2
467.13202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68159	2.0
55.05490	3.4
57.03421	2.8
61.02904	4.7
67.05479	5.2
69.03414	3.6
69.07030	4.7
70.99241	2.5
79.05451	10.5
81.03378	12.2
81.07030	15.1
83.04972	3.2
83.08572	3.8
84.54325	2.5
85.02847	4.7
86.09667	2.6
91.03928	3.5
91.05441	11.8
93.07011	13.7
95.04928	4.0
95.08583	6.7
97.02859	4.3
101.02337	3.0
105.07016	4.4
107.08567	14.0
119.08523	3.4
127.32213	2.4
129.06940	3.5
133.10097	3.8
135.11682	3.3
145.10086	2.9
147.11630	3.7
163.11092	4.3
267.16006	2.9
451.19373	5.6
467.18631	11.5
479.29510	4.1
480.30234	3.9
525.46368	2.9
677.31348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49575	0.2
54.17510	0.2
55.05473	0.2
56.05020	0.3
57.07046	0.5
58.06566	0.2
59.95747	0.2
60.08143	8.8
67.05476	0.5
71.07349	3.8
79.05470	0.3
81.07003	0.5
86.09676	46.7
92.65051	0.2
93.06980	0.4
95.08572	0.3
95.90148	0.2
98.98429	3.6
104.10711	2.8
105.06966	0.2
110.10667	0.2
124.99961	32.6
140.94792	0.2
143.01016	0.4
177.39021	0.2
184.07278	100.0
264.45865	0.3
433.63120	0.3
504.37582	0.4
676.45209	13.4
677.45074	0.3
689.21295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04235	0.1
54.81130	0.1
55.05499	0.2
56.05010	0.6
58.06585	0.2
59.90052	0.1
60.08142	7.9
67.05479	0.6
69.07048	0.2
69.97131	0.1
70.06552	0.1
71.07346	4.3
76.83526	0.1
79.05451	0.3
81.03393	0.3
81.07010	0.6
83.08572	0.2
85.02876	0.3
86.09675	47.8
87.10037	0.2
91.05428	0.8
93.06988	0.7
95.04927	0.2
95.08573	0.2
97.02782	0.1
98.98429	3.6
100.39269	0.1
104.10706	3.1
105.06973	0.3
107.04928	0.2
107.08537	0.2
114.39904	0.1
116.99394	0.1
119.08539	0.2
121.10125	0.2
124.99957	32.2
131.08513	0.2
133.10118	0.2
135.08118	0.1
135.23654	0.2
143.01012	0.7
145.10135	0.2
147.11613	0.1
157.10101	0.2
184.07280	100.0
185.07697	0.1
212.48412	0.1
225.20375	0.1
328.89575	0.1
479.26007	0.2
676.34296	12.0
677.33942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.9
55.01849	5.1
55.05494	25.8
57.03424	24.7
59.05000	1.3
61.02907	7.3
65.03918	1.4
67.05482	61.0
69.03410	5.6
69.07040	19.6
71.04962	8.5
73.02877	1.6
79.05462	45.0
81.03041	1.7
81.03387	67.9
81.07024	80.7
83.04959	21.8
83.08590	32.6
85.02876	29.7
85.06500	2.2
91.03899	1.4
91.05447	48.1
93.07008	59.8
95.04936	30.4
95.08572	23.5
97.02842	6.9
97.06483	10.4
97.10147	4.1
99.04424	1.1
99.08057	2.5
105.06996	24.9
107.04922	7.4
107.08572	30.8
109.06498	5.6
109.10136	5.1
111.08034	13.4
113.05971	1.5
117.06982	11.4
119.08536	23.2
121.06515	4.4
121.10094	21.2
123.08026	1.5
123.11655	2.0
129.06973	12.4
131.08524	18.6
133.06483	2.0
133.10086	19.3
135.07950	1.3
135.11668	7.3
137.09573	2.4
142.07755	2.1
147.08034	1.5
147.11624	14.1
149.09552	8.0
149.13206	19.4
157.10094	16.3
159.11642	10.1
165.12817	1.8
170.15442	1.3
175.11111	14.6
177.12604	1.5
193.12175	37.9
195.13797	6.6
211.13240	38.3
225.73665	1.1
267.15775	21.0
269.17361	49.4
270.53891	1.2
285.16873	29.9
394.16357	1.2
461.28867	60.8
462.29071	1.9
479.29874	100.0
496.37628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
53.03922	4.5
54.81250	0.8
55.01852	4.5
55.05247	1.6
55.05499	35.1
57.03406	3.6
57.07069	10.0
61.61163	0.8
65.43921	0.8
67.05476	9.4
69.03400	0.8
69.06683	1.1
69.07046	31.0
71.04964	0.9
71.08598	5.1
79.05461	11.4
81.03391	61.4
81.07028	14.1
83.04942	4.0
83.08598	31.1
85.10146	1.1
86.09690	2.3
91.05464	14.5
93.07016	8.8
95.04934	15.5
95.08580	7.4
97.02827	1.2
97.10137	13.5
98.97871	1.3
98.98447	18.7
105.07001	10.7
107.04910	4.9
107.08538	4.0
109.06492	1.3
111.08048	1.3
111.11679	2.3
117.06965	4.0
119.08554	8.9
121.06449	2.2
121.10086	5.8
124.99955	1.5
129.06961	7.4
131.08530	5.6
133.06450	1.5
133.10083	3.8
135.74901	1.0
141.23770	1.0
142.07744	1.2
145.10088	1.6
147.07993	1.6
147.11649	5.3
149.09570	3.7
151.51971	0.9
154.03773	0.8
155.00980	1.9
157.10123	6.0
167.89952	1.1
173.42996	0.9
175.11172	8.6
184.07320	5.9
193.12166	9.7
237.22099	1.2
249.14767	4.0
267.15811	5.4
284.07123	1.2
311.25717	9.1
475.37741	1.0
485.35419	1.4
503.37155	100.0
504.37350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3854
Annotation	Hymenocardine
Peak:m/z	Relative Intensity
57.64694	2.0
58.76300	1.8
59.04985	1.9
67.05490	3.4
76.55238	2.4
81.07023	2.7
91.05447	2.3
95.08562	4.4
103.90604	1.9
105.06959	2.3
109.22032	2.0
129.21683	2.2
149.02298	2.4
198.38495	2.5
251.23206	2.4
267.67468	2.5
307.02756	2.2
375.58728	2.4
390.32648	2.6
608.53931	2.5
675.38562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01847	1.2
55.05494	30.5
57.03410	3.1
57.07058	9.9
57.50496	0.7
63.19103	0.6
67.05479	11.7
69.07040	24.6
71.08603	5.8
74.48474	0.8
75.46662	0.8
76.61672	0.7
79.05460	9.3
81.03384	57.2
81.07024	9.3
83.04954	1.9
83.08588	29.3
85.10170	2.0
90.47594	0.9
91.05441	14.8
93.07001	5.4
95.04935	15.0
95.08570	4.6
97.06538	0.7
97.10130	15.5
98.98441	5.2
104.74691	0.8
105.06998	8.4
107.04936	5.8
107.08540	1.9
108.93868	0.8
109.06508	1.3
111.04423	0.9
111.08041	3.5
111.11686	4.8
116.53522	0.9
119.08531	9.7
121.06441	1.1
121.10165	3.2
129.06972	6.2
131.08514	5.6
133.06464	0.9
133.10081	1.3
142.07698	1.8
147.07965	3.3
147.11655	1.7
149.09576	1.8
155.00990	1.3
157.10085	5.2
175.11177	4.3
193.12196	10.0
249.14830	3.7
267.15973	0.9
311.25439	1.1
503.37137	100.0
504.37469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.5
55.89608	0.4
66.14175	0.4
67.05481	1.8
67.09564	0.4
69.07027	0.6
75.06091	0.4
75.83719	0.4
76.81776	0.5
79.05465	2.2
81.07009	2.4
83.04968	0.4
86.09674	0.8
91.05444	0.9
93.07006	2.3
94.06516	2.4
95.04925	1.9
95.07300	1.2
95.08571	0.8
96.08112	4.2
97.06493	2.8
105.06987	0.7
107.08530	0.8
108.08096	5.1
109.10117	0.6
110.09657	7.6
120.04395	3.4
120.08057	6.3
122.05985	2.4
123.04403	0.9
124.07565	1.2
124.99976	1.0
134.06009	1.2
136.07532	6.2
137.05939	2.9
138.09081	11.9
144.04411	2.4
146.05974	2.3
147.04375	0.7
148.07544	2.0
150.05472	0.5
150.09047	0.8
151.07529	0.7
152.07016	2.5
152.10674	0.6
160.07446	0.5
162.05424	1.9
163.03914	0.6
164.07103	1.1
166.08551	10.9
166.09766	0.6
166.51730	0.5
167.06984	0.6
172.03882	13.0
177.05283	0.4
178.04662	0.5
180.10115	0.8
184.07240	4.0
190.04927	2.0
192.10095	0.7
194.08002	0.7
196.09752	0.8
197.10780	0.8
204.06488	21.3
209.10727	0.6
211.08659	0.5
212.09366	0.8
219.10176	1.0
222.11407	0.5
223.08691	0.5
224.09499	0.7
225.10130	4.4
227.11667	3.9
235.08426	0.8
236.09344	2.0
237.10112	5.8
238.11003	1.9
239.08151	0.9
239.11745	3.2
241.09613	0.7
243.11398	0.5
248.09116	0.9
249.10178	3.4
250.10844	1.1
251.08092	2.7
251.11707	5.7
252.09007	0.5
252.12636	0.7
253.09659	4.3
253.13455	0.5
254.10321	0.7
255.11124	0.6
261.10141	1.0
263.08154	0.6
263.11807	2.4
264.08954	1.1
265.09497	7.0
266.10355	1.8
267.11240	4.8
268.11819	0.7
269.12827	3.4
271.10678	5.1
273.12119	0.6
277.09641	2.1
278.10413	3.1
279.07675	3.1
279.11224	8.5
280.11963	2.2
281.09085	2.2
281.12756	1.9
282.10007	0.6
283.10568	7.2
284.11453	1.0
285.12305	2.8
287.05350	0.8
287.13794	6.8
289.09665	3.0
291.11133	1.1
293.09045	3.6
293.12781	2.9
294.09882	3.6
294.13223	0.6
295.10724	3.1
296.11533	2.2
297.12103	3.4
299.10272	2.3
306.09726	0.8
307.10690	1.8
308.11102	1.0
309.12344	2.7
311.10199	6.7
311.13885	2.1
312.10965	2.5
313.11853	2.8
314.12640	2.4
321.08664	0.7
321.12219	1.1
323.10208	2.0
323.13754	0.9
324.11017	2.4
325.11667	3.8
326.12445	4.1
327.13278	10.6
327.16907	0.7
335.10135	4.9
337.11826	1.0
339.09778	1.5
339.13266	38.9
340.13916	0.8
342.12112	2.0
352.10556	0.8
353.11243	0.7
354.11972	5.1
354.15955	0.7
355.12656	11.2
356.13696	0.9
357.14267	5.5
358.15277	0.9
367.12747	18.1
370.15530	0.8
371.12320	2.1
371.16269	0.9
372.17026	0.7
382.11813	0.9
384.13177	0.7
385.14160	0.7
386.14633	2.3
387.15335	1.9
398.14874	3.8
399.15512	10.5
400.16132	0.6
404.16043	0.6
416.15985	2.9
440.16052	1.0
446.16879	1.1
458.17117	3.5
460.18762	1.1
479.20297	2.7
488.17688	2.5
490.19955	3.3
492.21158	3.3
520.20721	8.9
552.23193	100.0
553.23584	3.3
611.24762	16.7
643.27295	4.5
674.39600	0.7
675.39215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.2
57.03416	2.8
60.08144	1.7
62.90723	1.6
63.02617	1.6
63.62259	1.5
67.05475	8.4
69.03433	2.2
71.04951	1.9
71.07333	1.6
71.44059	1.6
74.74409	1.7
79.05464	9.8
81.03382	3.7
81.07021	9.5
83.04967	1.9
83.08556	1.9
85.02861	2.7
86.09683	20.3
91.05441	8.7
92.62236	1.8
93.06995	10.8
94.06509	7.5
95.04919	2.4
95.07314	3.8
95.08586	3.6
96.08093	17.1
97.06519	1.7
104.10715	1.8
105.07004	3.8
107.08543	2.4
108.08086	18.1
109.06528	2.1
110.09655	29.0
116.64149	1.7
119.08525	3.7
120.04402	10.4
120.08061	19.5
121.06457	2.1
122.05995	4.2
122.09553	2.1
124.07556	8.5
124.99937	11.7
134.05984	2.7
135.11671	2.4
136.07535	17.5
138.09082	34.2
139.60263	2.3
144.04404	7.0
146.05968	6.8
148.07552	2.7
152.07011	3.7
160.03920	2.4
162.05458	4.1
164.06972	2.3
166.08551	34.2
172.03868	34.9
176.07033	2.7
184.07297	37.6
185.07617	2.5
190.04936	17.5
197.10570	1.9
199.12234	2.9
204.06531	33.8
211.08661	1.9
213.10184	1.9
223.08694	2.7
223.12126	2.2
224.09230	2.2
225.10100	15.2
227.11722	17.3
235.08505	2.3
237.10207	16.8
238.10886	2.6
239.08107	3.2
239.11734	8.0
241.09595	7.1
249.10158	12.4
250.10898	2.2
251.08124	4.0
251.11786	13.4
252.08754	3.2
253.09662	19.0
255.11226	6.0
263.11658	6.9
264.08801	4.1
265.09653	28.1
266.10263	3.3
267.08636	2.2
267.11197	19.5
269.12738	19.7
271.10562	12.4
273.12274	3.0
276.09055	2.2
277.09567	9.6
278.10327	7.7
279.07776	6.9
279.11179	24.6
280.12054	2.3
281.09030	3.0
281.12762	3.8
283.10599	19.2
285.12198	6.7
287.13870	22.3
289.09726	12.7
290.10202	1.9
291.11292	7.3
293.09149	8.9
293.12796	7.9
294.09879	10.9
295.10828	12.1
297.12183	15.0
298.09445	1.8
299.10025	2.9
300.10913	3.3
306.09842	2.5
307.10754	3.1
308.11508	3.0
309.12128	7.5
311.10208	11.1
311.13809	6.3
312.10919	3.7
313.11694	8.4
314.12616	7.2
315.13315	11.5
321.08636	2.4
321.12091	2.0
323.10168	9.2
323.13739	3.7
324.10944	4.0
325.11765	21.7
326.12546	9.7
327.13358	20.2
335.10190	18.8
339.09775	5.0
339.13287	85.4
340.10565	2.6
342.12265	4.2
343.12851	8.0
344.13666	2.0
353.11191	2.8
354.12091	9.2
355.12891	29.1
356.13678	8.3
357.14484	15.6
358.15274	6.8
367.12802	49.6
370.15750	2.3
384.13113	3.2
386.14685	3.4
390.18253	3.0
398.14828	18.1
399.15634	25.8
400.16998	1.9
404.15805	3.8
414.17767	2.8
416.15994	14.5
420.19244	2.9
440.16052	3.0
446.16684	13.1
458.16840	23.7
459.27527	2.3
460.18521	2.3
460.27301	2.0
464.21652	2.8
477.28278	7.1
478.19873	2.6
478.28226	3.2
479.20282	3.4
480.20953	6.5
488.17691	10.2
490.19321	7.6
492.21069	7.8
502.19925	2.2
520.20618	100.0
521.21075	10.5
538.22119	3.3
552.23248	64.1
553.23267	2.6
569.23895	2.2
593.23022	4.3
611.15710	3.6
611.24829	85.2
626.24280	2.4
643.26886	8.7
675.34119	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	674.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.1
55.52651	0.9
56.05016	6.6
57.07059	12.7
65.03898	1.1
70.06567	73.2
71.04977	2.6
77.81095	1.0
83.04951	25.6
88.07594	11.3
90.99471	4.9
91.05439	1.1
91.40937	1.0
92.08743	1.3
98.98432	5.0
117.01010	4.1
119.08540	1.9
128.06187	1.4
129.06984	2.4
134.03664	11.9
138.03125	1.5
144.52647	1.0
147.02034	1.5
147.08073	1.2
147.11662	11.7
151.01469	1.9
165.03070	1.1
175.01555	6.0
181.02550	71.7
199.03650	4.7
224.23700	13.4
227.04672	3.9
242.24782	6.1
260.34262	1.0
275.49500	0.9
288.20859	5.6
306.21988	6.3
313.11923	3.8
319.81064	1.1
321.34509	1.0
369.18066	11.7
393.41675	1.2
674.39246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26971	0.6
53.72490	0.5
55.05500	0.6
56.35876	0.8
66.27154	0.6
67.05476	1.4
69.07037	0.7
73.06689	0.6
79.05451	1.5
80.30830	0.7
81.03400	0.9
81.07031	1.7
85.02869	0.9
86.09674	1.3
91.05439	1.5
93.07014	3.9
94.06514	3.7
95.04920	1.0
95.07291	1.3
95.08564	2.8
96.08086	5.9
97.06506	1.6
101.96751	0.8
106.02003	0.7
108.04465	0.7
108.08092	4.3
109.10171	0.9
110.09653	8.5
111.04401	0.8
119.08577	1.1
120.04416	1.2
120.08018	5.8
121.10091	0.8
122.05980	2.9
123.04350	1.2
123.11584	0.7
124.07530	3.0
124.19828	0.8
128.15605	0.7
131.04875	0.8
136.07501	7.0
137.05942	2.9
138.09093	11.8
144.04399	1.2
146.05948	1.6
148.07475	1.7
149.20091	0.8
152.07031	1.4
162.05441	2.9
164.06955	1.1
166.08568	11.2
172.03853	14.5
184.07265	3.6
190.04878	3.5
194.08113	0.8
204.06476	19.9
212.09212	0.8
223.08621	1.4
225.10188	4.6
227.11754	5.7
234.89749	0.7
236.09265	1.6
237.10072	6.8
238.10966	1.5
239.11606	2.7
248.09116	0.9
249.10098	5.6
250.10988	1.1
251.08067	1.5
251.11758	4.1
251.25291	0.7
253.09587	4.6
261.10037	1.8
263.11700	1.7
265.09650	6.5
266.10254	1.1
267.08185	0.8
267.11087	5.5
269.12744	1.4
271.10602	5.5
273.12204	0.8
277.09564	3.6
278.10428	3.9
279.07632	4.6
279.11188	9.7
280.11890	0.8
281.09109	1.0
281.12741	1.1
282.10013	1.1
283.10629	7.0
283.88092	0.8
284.11432	1.0
285.12167	3.2
287.05362	1.1
287.13763	7.9
289.09573	4.3
291.11246	1.0
293.09030	3.3
293.12680	6.2
294.09738	5.6
295.10577	4.6
296.11450	2.7
297.12183	4.4
299.10254	3.5
299.13675	0.9
306.09793	1.2
307.10553	1.8
309.12314	3.0
311.10281	7.0
311.13556	1.4
312.10989	1.4
313.11703	4.2
314.12439	1.8
315.13358	1.8
323.10193	3.4
324.10840	1.5
325.11536	5.1
326.12561	4.5
327.13342	8.1
335.09915	5.7
337.11621	1.0
339.13269	43.6
353.11142	0.8
354.11926	3.5
355.12772	11.7
357.14307	4.7
358.15363	1.3
367.12744	22.1
371.12021	1.0
386.14462	2.8
387.15347	1.2
398.14755	3.0
399.15530	9.7
407.54178	0.8
416.15857	3.7
427.64819	0.9
446.17374	1.0
458.16974	3.7
479.20352	1.5
490.19406	2.9
492.20944	3.4
520.20477	9.8
552.23193	100.0
553.22803	2.2
611.24701	17.9
643.26880	4.8
665.49341	0.9
674.38910	1.0
675.39697	1.6
677.77747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.4
53.33484	0.5
53.40873	0.5
55.01853	7.8
55.05244	0.7
55.05493	17.2
56.89322	0.6
57.03416	13.5
57.07061	1.4
59.04963	2.4
59.72029	0.5
60.32306	0.5
61.02904	5.0
65.03912	0.6
67.05479	31.2
68.87601	0.5
69.03376	1.4
69.07040	12.2
71.01287	0.8
71.04967	4.9
73.02874	1.1
79.05455	30.3
81.03387	7.5
81.07020	46.6
83.01310	6.7
83.04948	10.2
83.08582	15.1
85.02881	6.1
85.06502	3.2
91.03899	1.3
91.05441	15.9
93.07001	43.5
95.04929	6.7
95.08562	15.7
97.02845	2.9
97.06496	7.6
97.10128	2.2
99.04420	1.2
99.08028	1.3
103.05450	0.6
105.06998	8.3
107.04913	5.1
107.08559	22.9
109.06473	6.4
109.10111	2.8
111.04401	1.3
111.08000	4.3
115.05387	0.7
115.53397	0.6
117.06964	8.7
119.08533	6.6
119.09280	0.7
121.06439	3.9
121.10098	14.5
123.08006	4.9
123.11620	1.0
125.05930	1.3
129.06941	1.3
130.07690	1.0
131.08482	4.7
133.10072	6.4
135.08003	2.4
135.11638	12.0
137.09564	1.3
145.10062	12.2
147.07994	1.3
148.03589	0.6
149.09619	1.0
149.13208	12.6
151.11058	0.6
153.12724	1.3
159.11655	5.6
163.11108	16.1
173.09563	1.3
177.12683	3.5
181.12138	2.4
190.52435	0.6
191.10555	2.2
195.13715	5.9
196.74162	0.6
209.11644	3.0
227.12624	2.6
232.31511	0.7
269.17374	31.2
269.20285	1.1
276.73578	0.6
283.15274	35.6
459.27173	2.9
477.28284	100.0
478.28339	2.6
529.58020	0.7
544.40051	0.6
647.91510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79491	0.9
55.01863	8.0
55.05493	19.0
55.79775	0.8
57.03420	22.8
57.07046	1.2
59.04970	0.9
61.02906	8.4
65.03922	1.5
66.24188	0.8
67.05480	36.6
69.03416	2.4
69.07042	13.6
70.06571	3.9
71.04967	5.0
73.02887	2.1
79.05463	35.8
81.03390	33.6
81.07026	56.9
83.01318	9.7
83.04962	15.0
83.08595	18.3
85.02871	12.3
85.06516	1.6
88.07579	4.6
91.03909	1.2
91.05442	28.6
93.07007	42.8
95.04941	15.0
95.08575	14.3
97.02854	9.3
97.06494	7.6
97.10130	2.2
99.04435	4.0
102.09157	1.3
105.06995	17.5
107.04927	9.5
107.08562	25.7
109.06510	7.0
109.10134	2.3
111.04383	1.7
111.08057	4.7
117.06967	10.6
118.60997	1.0
119.08529	12.1
121.06467	4.5
121.10110	12.7
123.08026	7.4
123.11683	1.6
125.05985	1.5
127.03833	1.6
129.06960	2.3
129.27222	0.9
131.08507	9.4
133.10086	11.7
135.08034	2.0
135.11650	14.6
137.09624	1.2
137.87688	0.9
145.10098	15.1
147.08005	1.3
147.11597	3.9
149.02301	11.7
149.09535	2.2
149.13214	6.3
151.11107	1.2
153.12717	1.1
157.10133	2.2
159.11647	4.6
163.11115	20.7
173.09599	1.8
175.11133	4.3
177.12662	1.0
193.04919	7.3
193.12155	7.2
195.13763	5.6
209.11642	4.0
211.13290	1.9
228.23129	4.3
267.15851	15.0
269.17383	19.9
272.25797	1.0
283.15305	47.9
285.16858	1.6
392.89877	1.1
410.21658	1.0
433.25510	1.2
459.27213	10.6
477.28339	100.0
478.28842	2.1
608.56354	1.3
615.28778	1.2
621.32092	1.2
674.35052	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	674.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36156	1.1
53.00306	1.8
53.52493	1.1
55.01858	6.3
55.05241	1.6
55.05493	27.7
57.03419	18.5
61.02924	1.5
63.19735	1.2
65.03914	2.5
67.05154	2.6
67.05485	48.8
69.03392	8.1
69.07040	14.9
71.04967	7.6
73.02877	1.7
75.32423	1.3
79.05460	57.8
81.03388	94.3
81.06551	2.4
81.07026	58.6
83.04951	42.6
83.08585	26.6
85.02885	21.0
85.06530	2.3
91.05449	100.0
93.07013	45.8
95.04933	39.8
95.08568	19.4
97.02856	6.1
97.06493	8.7
97.10139	2.3
99.08031	2.0
103.05447	1.2
105.04502	1.8
105.07001	60.5
105.07687	3.0
107.04926	25.2
107.08562	13.7
109.06493	7.0
109.10126	2.7
111.04415	1.5
111.08056	9.8
113.05945	1.7
114.35603	1.2
115.05431	2.5
117.06998	3.4
119.08546	39.7
121.06470	5.4
121.10095	13.1
122.74966	1.2
123.08056	3.1
123.11600	1.4
124.07555	1.5
125.09602	1.6
128.06213	1.3
129.06949	28.5
131.08514	28.5
133.06445	3.3
133.10095	46.0
135.11656	2.3
137.09625	1.5
142.07747	6.2
145.10092	8.1
147.08029	7.2
147.11650	29.2
149.09579	9.1
157.10075	34.0
159.11700	1.3
163.11125	8.0
165.12660	2.1
172.03911	8.0
173.04225	2.4
175.11105	25.1
190.04790	1.6
191.03416	2.0
191.05247	1.3
193.12177	39.6
204.06543	8.2
205.06906	2.2
211.13237	25.9
213.10260	1.5
215.11691	1.6
225.10199	2.2
228.08524	1.7
228.12320	1.4
241.09619	2.5
242.10356	3.0
243.11014	2.2
256.11990	3.3
257.12607	5.9
267.15811	76.1
283.15222	1.5
284.11407	2.1
285.02289	1.8
285.16901	16.4
315.43002	1.5
317.14859	26.0
317.31915	1.4
318.15192	19.7
325.11658	1.4
326.11725	1.6
336.61545	1.7
459.27252	77.9
459.33829	3.0
477.28329	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89587	1.1
52.27742	1.0
53.03916	1.8
54.56480	1.0
55.01843	5.1
55.05491	12.9
57.03407	6.9
60.13736	1.1
61.02905	1.5
61.50335	1.1
67.05479	11.3
69.03387	3.1
69.07032	2.7
71.01319	1.3
71.04958	2.3
79.05448	13.9
81.02951	1.7
81.03385	25.8
81.07025	14.5
82.06560	1.6
83.04942	9.3
83.08581	11.2
85.02864	9.2
86.09660	3.3
90.25899	1.4
91.05447	13.7
93.07005	18.0
94.06531	3.2
95.04919	8.4
95.07298	2.6
95.08563	7.8
96.08088	9.6
97.02811	2.1
97.06476	3.3
97.10130	1.5
99.04355	1.6
105.06969	9.7
107.04913	6.0
107.08557	6.7
108.08080	9.4
109.06465	3.2
109.08875	1.5
109.10094	2.0
110.09644	17.5
111.04447	2.1
111.08024	2.0
117.06893	2.1
119.08523	8.6
120.08052	10.4
121.10116	6.0
122.05959	7.7
123.08030	2.3
124.07500	1.7
124.99946	6.0
125.09563	1.8
127.03838	2.2
129.06953	5.6
131.08510	3.2
133.06393	1.4
133.10094	1.7
135.11604	2.8
136.07497	7.2
138.09091	18.5
142.07773	1.9
145.10054	2.8
147.11633	6.2
148.07553	2.6
149.09554	1.3
153.12587	1.3
157.10043	5.0
159.11711	1.3
163.11128	7.0
166.08549	17.8
175.11031	2.2
184.07294	11.6
184.58484	1.2
193.12209	9.4
194.12444	1.8
204.60890	1.4
209.10666	1.7
211.13222	10.4
225.10272	1.6
235.08521	6.1
236.09358	5.0
237.10117	30.5
239.11703	2.0
249.10178	19.6
250.10851	5.0
251.11603	7.2
253.09789	1.7
261.10248	2.4
263.08087	4.8
264.08832	12.3
265.09702	14.6
267.11230	10.0
267.15866	1.8
277.09598	19.0
278.10312	6.2
279.11169	17.7
281.09021	6.5
283.15262	13.0
284.15393	1.6
285.16956	2.0
290.96164	1.3
291.07526	1.8
293.05865	3.0
293.09134	66.2
293.12582	7.9
294.09793	1.6
295.10648	2.2
305.09177	11.9
306.09933	1.7
307.10739	16.9
309.08667	4.9
309.12274	2.6
311.10306	2.3
313.11740	2.5
313.38470	1.4
317.14825	2.4
319.10416	1.7
323.10117	8.6
324.10559	1.5
325.11737	5.3
333.08728	6.3
337.11780	4.5
339.13306	11.5
351.09653	32.1
353.11139	3.3
364.14456	2.3
365.10806	2.4
366.11972	6.4
368.13504	1.5
371.12274	6.2
382.15506	1.6
383.12198	8.7
385.13681	6.9
397.13718	8.8
398.14386	4.2
410.14883	2.2
418.17368	5.6
429.20959	2.1
438.14011	6.0
446.16873	16.4
456.15216	6.9
458.16342	2.0
475.26712	7.0
476.17834	6.4
476.27002	2.0
478.19580	12.5
488.17465	1.9
490.19604	1.5
493.27698	23.1
494.27835	8.1
518.18604	6.5
519.19586	6.3
536.20074	1.7
550.21582	44.2
551.22424	100.0
552.22375	2.9
609.23077	9.4
623.24567	1.7
638.31757	2.8
641.25684	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	673.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80240	0.3
55.05467	0.3
65.95934	0.3
66.68159	0.3
67.05469	1.8
69.07069	0.4
76.51381	0.3
79.05446	0.7
81.03388	0.7
81.07021	0.6
85.02907	0.4
85.06505	0.4
91.05454	1.1
93.06998	1.2
94.06525	1.8
95.04941	1.5
95.07349	0.4
95.08571	0.3
96.08097	1.5
97.06519	0.3
105.07001	0.3
106.06499	0.5
107.08542	0.7
108.08087	1.5
109.10148	0.3
110.09643	1.7
113.67119	0.3
116.04946	2.3
119.08519	0.5
120.08073	1.2
122.05988	7.2
124.07549	4.9
133.10046	0.4
136.07521	3.2
138.09091	1.5
140.07008	1.3
144.04411	7.0
145.10060	0.4
146.05992	0.4
148.07594	0.5
150.05426	2.2
160.07532	0.4
162.05431	3.1
166.08592	1.6
168.06471	2.7
170.09624	0.6
172.03879	35.5
172.07516	1.6
173.04324	0.4
174.05444	0.4
182.08069	2.6
184.07346	0.6
185.10654	3.8
186.09200	0.4
187.12280	0.3
190.04947	6.2
194.06540	0.3
196.07487	0.4
197.08183	0.4
197.10901	0.5
198.09175	3.5
199.08588	0.7
199.12285	1.9
201.10193	4.4
202.14409	0.3
204.06506	44.4
211.08479	0.7
211.10243	0.4
211.12292	0.4
212.10861	2.9
213.10114	4.9
214.10909	1.9
215.11778	4.0
218.08061	0.5
223.08586	0.4
223.12383	0.4
224.07050	0.4
225.10152	5.3
226.08702	0.4
226.10823	0.6
227.08176	4.2
227.11754	1.6
228.12537	1.7
229.09653	3.6
229.13290	1.4
239.09502	0.5
239.11726	1.5
240.10147	0.7
241.09618	9.8
241.13225	4.1
242.07950	0.7
242.10403	18.2
243.11195	9.9
244.11984	1.9
247.10651	0.5
251.11461	0.4
255.08842	0.5
255.11168	2.4
256.09375	0.7
256.11966	14.6
257.10431	0.9
257.12747	14.2
258.11224	2.5
258.13531	2.1
267.11136	1.8
268.09540	0.4
269.09122	0.5
272.12653	1.4
274.13391	0.6
279.11304	0.5
281.12820	0.5
284.11465	9.7
285.09750	0.5
285.12332	5.7
286.78714	0.4
287.10214	3.6
289.15356	5.7
297.12314	1.7
299.13669	0.6
302.12555	4.5
317.14871	100.0
318.15076	1.2
325.11761	7.2
329.11475	0.5
343.12811	2.1
357.14343	4.0
361.13388	0.4
422.16916	0.7
476.17929	1.5
488.17966	2.4
597.26727	2.0
609.22778	1.3
641.25946	7.2
672.37445	0.4
673.38300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	4.4
57.03423	5.5
57.07060	72.3
61.02900	28.0
67.05478	16.8
69.07034	19.5
71.08605	53.6
81.03407	5.1
81.07015	24.0
83.08599	23.1
85.02876	25.4
85.10146	31.6
91.03923	7.2
95.08550	44.0
95.73523	3.4
97.02821	6.0
97.10156	8.5
98.97394	3.9
100.88605	4.5
102.77130	3.5
109.10116	24.4
123.11701	6.3
127.03869	6.2
139.03714	4.7
148.88399	3.7
163.05913	5.7
202.26706	3.8
204.22130	3.9
230.71321	4.2
239.23627	21.1
254.69550	4.0
257.24496	5.4
313.27252	100.0
331.28354	42.6
464.62143	4.4
533.23230	4.7
676.75494	4.3
699.69568	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	672.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01853	8.0
55.05286	1.4
55.05500	24.0
57.03419	11.0
57.07075	1.5
59.04964	2.1
59.72684	1.1
61.02917	1.3
67.05479	27.8
69.03396	2.4
69.07040	9.9
71.04961	6.9
79.05465	39.5
81.03383	18.8
81.07024	39.4
83.01310	3.1
83.04954	22.4
83.08598	12.0
85.02893	3.2
85.06483	1.5
89.33962	1.2
91.05447	51.9
92.09383	2.5
93.07011	39.0
95.04932	16.3
95.08582	14.3
96.16304	1.3
97.02859	2.7
97.06500	6.3
97.10132	1.5
99.08071	1.2
105.06997	35.6
107.04913	23.2
107.08577	17.3
109.06481	5.9
109.10159	2.6
111.04399	1.4
111.07996	1.4
117.06924	9.6
119.08533	24.2
121.06486	5.5
121.10098	10.4
123.08007	6.4
125.09475	1.5
129.06975	11.8
131.08511	14.2
133.10081	20.3
135.11650	8.1
142.07716	2.7
145.10086	16.8
147.07996	2.0
147.11678	12.1
149.09569	3.0
155.08473	1.4
157.10091	13.0
163.11130	24.5
173.09470	1.6
175.11136	8.6
193.12160	8.5
209.11699	2.4
217.59282	1.3
227.12775	2.3
267.15796	36.8
283.15320	29.1
318.29926	2.7
457.25797	9.1
475.26740	100.0
490.43469	1.5
627.03381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.0
53.03940	0.6
55.01870	0.6
55.05494	8.5
57.03416	7.6
57.07057	63.0
61.02607	1.0
61.02904	26.4
62.22008	0.5
63.77091	0.5
67.05155	0.9
67.05482	15.8
69.03400	3.4
69.07043	13.1
71.08604	50.3
71.70142	0.5
72.84708	0.5
73.02886	7.0
75.04440	3.2
79.05445	3.7
81.03365	2.7
81.07027	23.0
83.08585	16.4
85.02367	1.1
85.02875	28.1
85.06495	0.9
85.09657	1.2
85.10146	26.4
87.04392	0.6
89.06000	0.8
91.03922	20.4
91.05448	2.8
93.07001	3.2
95.04922	3.0
95.08569	35.4
97.02854	13.8
97.10146	8.2
99.04431	0.9
99.11670	1.3
101.09585	0.7
105.07030	0.7
107.08574	0.8
109.02814	2.5
109.10117	16.4
111.11623	2.2
115.03874	0.9
117.06991	0.9
123.11694	6.5
125.13223	1.0
127.03843	5.2
133.06557	0.7
133.10162	0.8
137.13211	3.4
139.78870	0.6
145.04921	4.5
163.05969	10.8
170.66246	0.6
215.57906	0.6
221.22644	0.8
239.23604	18.4
257.24637	4.5
313.27255	100.0
314.27728	1.3
319.15314	0.7
331.28299	53.0
396.21198	0.7
457.17178	0.6
463.35382	0.7
542.45038	0.6
589.33881	2.2
634.06171	0.7
672.41418	0.8
697.04364	0.8
699.18414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05248	0.6
55.05484	4.9
57.07043	2.8
59.04959	0.6
66.71845	0.5
67.05477	5.1
69.07031	7.2
71.20724	0.5
77.54506	0.5
79.05460	4.5
81.07024	13.1
83.08580	5.0
86.90689	0.5
91.05432	11.9
93.07001	11.0
95.04923	18.9
95.08562	19.8
97.06502	0.7
97.10127	0.7
99.08044	0.7
105.06989	14.2
107.04918	57.6
107.08549	21.8
109.06519	0.8
109.10121	15.9
111.08023	0.8
115.66257	0.6
117.06976	0.9
119.04903	22.9
119.08533	30.4
121.06461	6.1
121.10099	18.6
123.04382	100.0
123.08013	1.0
123.11653	5.2
125.05930	0.6
125.09587	0.9
129.06932	0.8
131.08533	10.2
133.10085	22.2
135.11642	10.5
137.09604	1.0
137.13219	5.4
143.08501	6.7
144.09328	0.7
145.10088	19.7
147.04362	78.0
147.11641	16.2
149.05957	1.3
149.09576	1.2
149.13211	7.6
151.11140	2.2
155.08493	2.1
156.09343	0.6
157.10086	8.3
158.10796	0.8
159.11647	11.2
161.13216	9.8
163.11090	2.3
163.14764	6.3
165.05418	21.1
165.12671	1.1
168.09293	0.6
169.10017	4.0
170.10863	0.7
171.11627	10.4
173.13176	12.7
175.14745	17.0
177.12711	0.6
177.16315	3.9
179.14264	0.6
181.10028	0.7
183.11613	3.1
185.13179	8.6
187.14748	15.8
189.16353	7.0
191.14281	0.6
191.17863	1.3
193.15846	2.2
195.11755	1.8
196.12555	0.6
197.13217	5.3
199.14763	12.7
201.16324	19.0
203.14285	0.6
203.17908	3.9
205.15782	7.5
207.17403	0.8
209.13158	2.2
211.14798	6.4
213.16307	12.5
215.14232	1.0
215.17914	4.7
217.12120	0.6
219.13794	0.7
219.17415	2.1
221.15335	0.7
223.14717	2.7
225.16284	3.5
227.17891	4.6
229.19386	1.0
231.17375	2.6
233.15340	2.5
237.16362	1.0
239.17888	4.7
241.19391	8.1
243.17398	0.6
245.15231	3.1
247.16875	2.2
251.17946	1.2
253.19412	3.7
255.21036	0.8
259.16785	3.0
263.17780	0.6
265.19308	0.8
267.20981	2.6
269.22610	0.7
273.18399	0.7
279.20950	1.3
281.22540	1.3
285.18436	1.1
297.18372	0.7
299.20108	0.6
325.21594	0.8
349.28915	0.8
353.24503	1.1
363.30389	1.1
387.30322	2.4
389.31750	3.5
395.29108	1.1
405.31357	30.3
407.32944	15.6
409.30679	2.3
423.32327	3.4
425.34042	7.6
433.30841	15.0
435.32339	7.5
451.31967	24.2
453.33368	15.5
571.37384	0.7
599.37408	4.4
617.38202	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	671.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52897	0.6
54.81187	0.7
57.03432	0.7
62.81787	0.6
68.06419	0.8
81.07055	1.0
97.33243	0.8
119.08511	1.0
122.31893	0.8
161.82898	0.8
165.09067	1.0
174.71671	0.9
185.04176	0.9
207.62115	0.9
225.62851	0.8
311.60968	0.9
509.27029	30.7
671.32269	100.0
672.32605	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	670.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.8
57.07038	0.7
65.10867	0.4
66.29816	0.4
67.05471	2.3
69.07039	4.0
74.14838	0.4
79.05450	3.0
81.07021	8.5
83.08599	3.4
91.05438	4.9
93.06998	7.8
95.04922	13.5
95.08566	12.6
97.10128	0.5
99.08077	0.8
103.05431	0.6
105.06995	8.1
106.47423	0.5
107.04916	2.9
107.08549	11.3
109.10116	5.1
116.06215	0.5
117.06958	0.5
119.04903	7.4
119.08535	13.6
121.06465	3.6
121.10097	9.8
123.04379	100.0
123.11643	4.7
128.18465	0.5
129.06995	0.9
131.08521	5.3
133.10078	8.7
135.11646	7.1
137.13239	1.0
143.08453	4.1
145.10069	8.8
146.34470	0.6
147.04361	27.5
147.11598	6.9
149.13197	2.1
157.10106	4.2
159.11636	9.0
161.13191	3.7
163.14711	2.0
165.04015	1.0
165.05406	29.2
169.10074	1.1
171.11600	4.4
173.13194	5.7
175.14745	6.4
177.16289	2.7
183.11670	0.9
185.13132	4.9
187.14754	7.1
189.16296	5.1
191.17944	1.0
193.15791	0.6
197.13194	2.6
199.14764	6.9
201.16330	8.6
203.14272	2.3
203.17917	3.0
205.15837	2.7
209.13271	0.9
211.14717	4.2
213.16313	6.8
215.14400	0.5
215.17911	0.9
219.17332	0.8
227.17784	0.6
231.17361	3.2
237.16254	0.6
239.17812	2.0
245.15317	0.9
247.16853	0.7
249.14761	0.6
251.17880	0.6
253.19461	2.2
259.16721	2.4
267.20840	1.9
364.38419	0.6
389.31866	2.7
405.31595	3.6
407.33145	5.5
409.30835	4.9
423.32440	0.9
425.34207	1.0
433.25195	0.6
433.30820	3.1
435.32480	11.0
451.31976	3.5
453.33643	7.5
471.34735	0.8
497.31961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
54.21580	0.3
54.90811	0.3
55.05501	3.8
57.07057	1.7
61.93956	0.4
67.05473	2.2
69.07041	4.0
71.04987	0.5
79.05453	2.6
81.07026	7.2
83.08582	3.8
91.05439	5.7
93.07010	5.7
95.04934	14.7
95.08023	0.7
95.08575	12.4
97.10135	0.4
99.08059	1.9
102.72558	0.4
105.06994	6.9
107.04931	2.3
107.08565	10.8
109.06461	0.5
109.10115	5.5
111.08054	0.6
117.06984	0.7
119.04906	7.2
119.08540	14.2
121.02835	2.4
121.06465	4.1
121.10100	8.1
122.03226	0.5
123.04388	100.0
123.11640	4.2
124.04730	0.6
129.06982	0.7
131.08521	5.9
133.10094	7.5
135.11642	6.8
137.13187	1.7
141.06929	0.4
143.08495	4.0
145.10088	9.6
147.04370	29.3
147.11649	6.1
149.13206	1.8
155.08499	1.6
157.10060	4.4
159.11662	9.3
161.13199	3.4
163.07463	0.5
163.14790	0.8
165.05412	28.8
167.60759	0.4
169.10060	2.4
171.11603	3.8
172.12361	0.6
173.13223	5.4
175.14725	6.3
177.09024	0.6
177.16269	2.7
183.11694	1.4
185.13208	4.7
187.14748	6.5
189.16324	5.0
191.14253	0.4
191.17906	0.9
195.11653	0.5
197.13184	2.4
199.14760	5.8
201.16313	7.7
203.14236	2.2
203.17880	2.3
205.15782	2.6
207.17413	0.8
209.13200	0.6
211.14723	3.5
213.16318	6.8
215.17917	1.8
217.15790	0.6
219.17451	0.8
223.14778	0.4
225.16302	0.5
227.18024	0.8
231.17506	0.7
237.16286	0.5
239.17944	0.9
241.19411	1.9
245.15250	0.7
247.16855	0.6
249.14738	1.7
253.19435	1.5
256.26172	0.6
259.16931	1.5
267.20959	0.9
305.52438	0.5
315.39557	0.5
348.29538	0.4
353.17926	0.4
389.32175	2.7
396.90942	0.4
405.31439	4.0
407.32999	4.8
409.30856	4.1
423.32520	0.8
425.34097	1.6
433.30753	2.8
435.27094	0.7
435.32428	9.8
451.31943	1.7
453.33426	6.3
481.97235	0.4
494.52734	0.4
606.33832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09988	0.9
52.77165	0.9
53.03917	2.0
53.46102	0.9
54.32664	1.0
54.81126	1.1
55.01857	1.1
55.05497	9.1
56.20065	1.1
57.07058	1.9
60.12741	1.1
65.03924	1.3
67.05480	40.0
69.07037	11.5
79.05468	14.9
81.03384	54.0
81.07027	37.5
83.04952	1.9
83.08588	10.8
87.74469	1.1
91.05003	1.0
91.05456	13.7
92.63036	1.2
93.07010	12.4
95.04934	12.8
95.08564	21.8
105.06977	11.0
107.04910	4.6
107.08566	7.6
109.10118	5.7
111.08064	2.3
112.84035	1.3
119.08524	8.1
121.10101	8.9
123.11618	1.5
128.13354	1.2
129.06943	6.3
129.70972	1.1
130.41545	1.1
131.08559	5.8
133.10060	2.3
135.11659	1.8
147.08015	1.3
147.11676	1.9
149.09616	1.3
153.70447	1.1
157.10086	5.6
175.11145	2.9
185.58705	1.1
193.12212	6.9
208.74428	1.7
236.16405	7.8
306.27820	5.4
445.40692	1.3
529.38690	100.0
530.38733	1.9
553.74390	1.2
636.72943	1.4
644.63098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.2
53.78276	0.5
53.96455	0.6
55.01854	0.8
55.05274	0.7
55.05496	9.5
57.03409	1.3
58.71914	0.6
67.05479	36.0
69.07031	7.9
71.04927	0.7
71.43374	0.6
79.05463	14.9
79.81417	0.7
80.29233	0.6
81.03382	49.8
81.07023	29.8
83.04928	1.2
83.08589	10.7
91.05434	13.4
93.07009	11.7
95.04926	11.8
95.08570	21.8
97.02822	0.7
97.06500	1.3
97.10107	1.1
98.18488	0.7
105.06995	10.1
107.04894	2.6
107.08527	4.7
109.06470	1.3
109.10116	5.1
111.07999	1.6
115.05426	0.7
115.74591	0.7
119.08547	8.3
121.10094	6.2
123.11665	1.1
125.09461	0.8
129.06946	5.6
131.08521	4.6
133.06435	3.2
133.10098	4.2
135.11671	1.0
142.07689	0.9
147.07976	1.1
147.11613	4.0
149.09564	0.7
153.03279	0.6
157.10092	5.3
163.14769	0.8
175.11137	4.1
177.16371	0.8
193.12141	5.9
236.16321	5.2
257.72220	0.7
337.27023	1.0
475.51746	0.7
529.38678	100.0
530.38849	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	669.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	5.8
67.05482	8.9
69.07034	1.4
71.01894	1.1
79.05453	11.4
81.03390	19.7
81.07015	10.5
83.08607	2.6
91.05434	8.8
92.05725	1.4
93.07015	7.6
94.07349	1.8
95.04942	7.1
95.08553	4.5
102.76112	1.3
105.06996	3.0
107.04993	1.4
119.08479	4.2
121.10129	2.1
129.06996	1.4
131.08525	1.8
224.93658	1.4
377.17664	1.5
393.20721	2.2
405.16971	1.8
419.18579	5.5
420.19592	2.3
421.20004	2.1
433.20175	2.6
448.18427	2.1
449.19739	6.2
461.19479	2.4
475.21252	1.9
476.18860	1.8
489.19083	2.3
491.20895	1.5
507.23819	6.0
527.37067	17.8
528.37518	23.1
535.23383	12.3
549.24847	3.0
563.22736	16.4
577.24146	5.2
581.28149	2.2
595.25421	2.4
609.26575	4.3
623.24860	6.0
641.30078	1.9
669.28979	100.0
670.29059	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	669.2901
Annotation	Agrimol G
Peak:m/z	Relative Intensity
51.03786	1.1
55.05496	1.2
61.70608	1.1
69.10383	1.1
84.99999	1.4
92.66093	1.2
95.08546	1.4
118.65159	1.3
182.77284	1.4
187.18266	1.3
254.67966	1.2
285.59064	1.4
297.33377	1.2
297.93878	1.2
405.16931	2.2
407.22363	6.3
419.18478	5.6
420.18964	1.5
421.20291	4.5
433.19977	15.5
434.20856	4.8
435.21835	7.5
448.18622	1.6
449.19473	11.4
463.21149	2.7
493.21692	1.9
509.21198	2.8
521.25244	8.3
522.22479	2.8
523.23035	1.9
549.24811	1.6
581.26385	1.6
609.26843	18.1
669.28894	100.0
670.29352	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	668.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57544	1.7
51.45214	2.0
55.05495	26.5
57.03411	3.8
57.07051	5.0
67.05479	26.8
69.03416	5.1
69.07037	26.3
79.05471	21.1
81.03398	10.2
81.07031	48.8
83.04938	2.5
83.08582	24.3
85.02885	14.7
87.04489	2.1
87.70782	2.1
90.37116	1.8
91.05454	23.3
92.09351	7.9
93.07001	50.4
94.07358	3.1
95.04910	4.0
95.08561	62.7
96.33591	2.2
97.02856	3.4
97.06474	2.7
97.10130	4.0
99.08063	4.4
105.07000	44.8
107.08562	76.0
109.06482	3.3
109.10126	61.5
111.04387	3.5
111.08058	3.9
115.05302	2.0
116.46172	1.8
117.06978	11.3
119.08540	74.2
121.06454	3.0
121.10103	64.0
123.08026	3.9
123.11696	18.3
125.05974	2.3
129.06956	4.5
131.08517	27.5
133.10086	68.1
135.08028	9.1
135.11646	38.7
137.09549	3.9
137.13168	4.4
138.47290	2.2
139.07553	2.6
143.08559	16.7
145.10085	50.5
147.07999	2.9
147.11652	47.0
149.09502	4.9
149.13184	26.0
151.07492	2.3
151.11102	8.5
153.09071	4.9
155.08496	3.0
157.10077	25.5
159.11632	57.2
161.13196	33.4
163.11121	4.9
163.14789	24.1
167.10631	3.7
169.10081	4.4
170.10928	7.3
171.11630	27.3
173.13194	34.0
175.14720	27.3
177.12695	10.4
177.16316	11.5
181.10132	3.4
181.12120	3.1
183.11647	9.6
184.12363	2.1
185.13199	34.9
187.14792	36.2
189.16306	32.5
191.10614	2.4
191.14235	5.3
195.13705	11.9
197.13246	3.8
199.14798	18.6
201.16290	30.1
203.14307	4.8
203.17896	15.6
205.15822	25.8
207.17377	3.0
211.14796	3.0
213.16313	14.3
215.14371	4.3
215.17902	5.0
217.15851	4.3
217.19498	3.5
223.14876	2.6
223.16913	11.8
227.17848	3.6
229.14273	4.8
229.19418	3.7
231.13702	2.4
235.14799	4.2
235.16895	2.9
239.17799	4.5
240.03273	2.2
241.19382	4.3
245.18956	4.6
249.79944	2.8
251.17786	2.5
253.19547	3.1
255.21005	11.4
257.22632	2.8
259.20453	2.8
281.22656	2.9
283.20486	8.7
287.23471	2.6
301.21585	8.6
307.23813	2.8
315.23303	2.9
355.26102	4.7
389.32004	4.0
407.32919	37.6
425.34146	21.3
435.32446	30.1
443.34979	55.0
453.33527	100.0
461.89694	2.3
471.34662	57.8
489.35678	47.7
686.13098	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	668.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.8
55.05482	20.7
57.03407	5.1
57.07059	3.6
58.20855	2.4
61.02908	3.1
65.06149	2.9
67.05482	56.2
69.03399	5.8
69.07030	24.9
69.09382	2.6
71.04947	5.9
79.05469	29.6
81.03380	28.2
81.07024	53.3
83.04943	19.9
83.08583	24.4
85.02844	24.3
91.05441	27.8
93.07003	65.7
95.04906	12.1
95.08566	69.6
97.02869	6.3
99.04404	3.0
99.08054	12.8
105.06988	58.3
107.08549	89.8
109.06460	6.2
109.10119	69.3
111.08048	12.2
117.06950	12.6
119.08533	100.0
120.14909	2.8
121.10090	77.1
123.08019	3.5
123.11645	15.2
125.05996	3.7
125.09598	5.9
129.06958	6.8
131.08504	35.7
133.10083	64.9
135.07993	5.6
135.11653	45.0
137.09534	3.7
139.11145	7.3
143.08504	12.3
145.10089	55.7
147.04442	6.2
147.11636	60.4
149.09642	3.4
149.13234	27.7
151.11090	3.6
156.09059	3.5
157.10059	27.1
158.06033	2.9
159.11638	59.6
161.13214	34.2
163.14784	25.9
169.10045	7.3
171.11629	21.8
173.11693	11.3
173.13194	42.9
175.11188	4.1
175.14742	27.0
177.12712	5.9
177.16330	20.9
181.15836	4.1
183.11618	13.4
185.13148	25.9
187.14728	45.6
189.16269	30.4
191.14243	4.0
193.12228	5.1
197.13203	4.0
199.14740	22.2
201.16307	37.9
203.14290	5.1
203.17853	17.1
205.15744	23.8
211.14944	4.7
213.16289	16.5
215.17862	28.7
219.17413	10.9
224.60649	3.6
227.17946	6.9
229.14227	19.7
231.17302	3.5
239.17831	3.4
241.19392	3.7
247.20505	4.0
251.17868	3.3
255.21077	4.3
259.16861	7.2
267.15747	17.7
283.20175	3.4
287.23264	3.7
301.21518	5.5
389.31873	4.9
407.32834	39.1
421.25549	26.4
425.34073	27.5
435.32153	18.7
443.35248	37.5
453.33475	83.4
471.34479	49.5
484.04068	4.1
489.35641	67.5
615.38495	14.0
668.33228	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	668.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05287	0.6
55.05496	9.4
57.03400	3.2
57.07043	3.3
59.05011	0.7
61.02885	3.4
67.05473	8.4
69.03398	7.4
69.07037	14.1
71.04953	1.4
71.08208	0.7
71.08602	1.3
73.02873	0.9
74.59504	0.7
79.05452	8.0
81.03371	3.6
81.07016	19.5
82.03600	0.8
83.04957	1.4
83.08585	8.2
85.02874	24.9
85.06486	1.2
91.05431	12.8
93.06999	27.5
94.19485	0.8
95.04906	1.0
95.08563	30.5
97.02850	6.8
97.06458	1.2
97.10090	0.9
99.08046	3.9
105.06992	31.7
107.08556	47.2
109.02817	1.1
109.06437	1.6
109.10117	20.5
111.08002	0.8
117.06956	4.7
119.08527	62.0
121.06470	1.5
121.10090	35.8
123.08006	1.4
123.11661	9.5
127.03864	3.8
131.08514	27.4
133.10078	46.3
134.05414	0.7
135.07996	3.8
135.11639	26.6
137.09578	1.5
137.13208	1.1
143.08493	1.6
144.09277	1.3
145.04904	1.7
145.10069	49.2
147.11629	54.6
149.09544	3.4
149.13182	13.6
151.11108	1.0
157.10036	6.4
158.10783	1.5
159.11629	34.8
161.09555	1.6
161.13197	21.1
163.11115	19.4
163.14745	15.3
164.10774	0.8
171.11597	7.1
172.12434	3.0
173.13176	18.0
175.11116	1.7
175.14751	28.0
177.12665	3.4
177.16304	31.1
177.17776	1.6
179.14261	1.2
180.08571	3.8
183.11586	1.0
185.13161	6.7
187.14742	53.6
189.16310	35.1
191.14211	0.9
191.17847	5.3
199.14745	6.5
201.16304	100.0
202.16751	1.1
203.17859	23.3
205.15797	88.6
207.17372	14.6
211.14725	1.3
213.16324	8.5
215.14244	1.0
215.17838	7.1
217.15759	1.5
217.19519	1.7
219.17401	10.5
223.14818	1.0
223.16829	11.1
227.17885	4.9
229.19528	1.9
231.17352	1.9
233.18912	1.2
237.18393	0.9
241.19292	1.2
245.18896	1.2
245.29459	1.0
247.16800	4.8
253.19402	1.0
353.28342	1.7
389.31860	4.2
407.32919	45.7
408.32687	1.0
409.34665	9.1
425.33984	35.0
427.35513	3.6
435.32559	11.4
443.34872	5.0
453.33472	28.0
471.34845	15.5
489.35809	1.3
498.28043	0.8
669.33350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01849	1.3
55.05492	6.8
57.03411	1.4
57.07042	3.3
59.04967	0.7
61.02885	3.1
67.05481	9.2
69.03407	4.5
69.07037	10.2
71.04958	1.0
73.02876	1.0
74.88731	0.5
76.55210	0.6
77.39139	0.5
79.05457	7.2
81.03377	3.9
81.07024	15.6
83.04927	1.3
83.08591	7.9
85.02875	20.8
85.06525	2.1
87.04432	0.6
91.03934	1.0
91.05440	12.4
92.08704	0.8
93.07005	24.2
95.04909	2.3
95.08569	30.2
97.02850	5.8
97.06501	1.0
97.10110	0.7
99.08051	10.9
105.06278	1.2
105.06989	35.0
107.08557	47.4
109.06474	1.3
109.10119	18.0
112.96196	0.6
117.06982	5.3
119.08538	65.8
121.06514	0.8
121.10092	37.0
123.08018	2.9
123.11652	6.3
127.03863	3.0
129.06969	1.1
130.07722	1.0
131.08517	38.0
133.10078	46.3
135.08015	2.7
135.11641	27.0
137.09543	2.4
137.13205	2.8
142.07756	0.7
143.08475	5.5
144.09273	0.7
145.04919	2.1
145.10074	42.7
146.10789	0.7
147.11641	82.5
149.09537	2.1
149.13193	11.5
151.11160	2.1
155.08498	0.8
157.10083	8.3
158.10800	1.1
159.11627	34.6
161.13203	17.3
163.11119	14.3
163.14766	8.8
169.09993	1.1
170.10985	1.2
171.11606	6.9
172.12354	2.5
173.13193	16.5
174.13930	1.0
175.14748	24.7
177.12727	2.3
177.16325	28.0
179.14180	1.2
180.08607	3.7
183.11607	1.2
185.13191	8.4
186.13916	1.3
187.14748	51.1
189.16315	55.6
191.14180	1.1
191.17847	8.0
195.13733	1.0
199.14719	7.1
201.16310	100.0
202.16707	1.1
203.14302	1.2
203.17859	7.7
205.15802	77.5
207.17384	15.1
211.14728	2.8
213.16261	7.4
215.17822	8.0
217.15778	2.7
217.19345	1.1
219.17357	11.4
223.14937	0.9
223.16878	3.9
225.16277	1.3
227.17899	4.2
229.19426	1.4
231.17322	2.2
233.19051	1.0
239.17905	0.9
241.19458	0.6
245.18846	1.3
247.16806	2.6
250.86235	0.7
265.17877	0.9
294.78311	0.6
335.27133	1.3
353.28156	2.8
365.28241	0.7
389.31848	4.9
395.32660	1.0
407.32904	54.4
408.33289	1.4
409.34354	1.0
425.33963	40.7
426.34586	1.1
427.32126	0.7
435.32492	5.5
435.67563	0.6
443.35046	10.7
453.33490	42.9
471.34583	15.6
489.35352	5.2
668.29205	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	667.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.2
56.96545	0.7
57.07043	2.7
60.02123	0.4
64.40746	0.5
64.78092	0.6
65.03916	0.8
67.05476	5.5
69.03402	0.8
69.06791	0.4
69.07056	6.1
71.04939	0.8
72.79573	0.4
75.82085	0.4
79.05470	4.4
81.07027	10.4
83.04951	0.5
83.08589	4.5
86.09661	0.5
91.05440	19.0
93.07019	11.1
95.04939	1.0
95.08572	13.1
97.06483	1.3
97.10137	0.8
105.07002	13.6
107.08562	18.6
109.10129	11.3
115.07558	0.9
117.07011	2.2
119.04052	1.1
119.04900	32.3
119.07732	1.1
119.08540	22.8
121.10091	16.0
123.08013	0.9
123.11645	4.4
129.06956	2.3
131.08531	10.6
133.10088	23.6
135.08061	0.6
135.11653	10.2
137.09599	0.6
137.13190	0.9
141.06987	1.0
142.07736	2.8
143.08524	9.2
144.09290	0.7
145.10075	17.2
147.04369	100.0
147.11639	12.9
149.09593	0.6
149.13196	6.8
151.11067	0.8
155.08498	3.6
156.09271	2.3
157.10063	12.9
158.10902	0.9
159.11632	17.1
161.09660	1.0
161.13171	7.4
163.03899	0.8
163.11105	4.7
163.14742	4.2
165.05452	4.0
165.06686	0.6
167.08553	2.1
168.09265	1.1
169.10088	4.3
170.10834	0.8
171.11613	8.9
173.13190	11.1
175.11147	2.4
175.14784	6.1
177.16338	3.0
181.10023	2.5
182.10811	0.6
183.11632	7.6
185.13184	6.8
187.11110	0.9
187.14737	7.5
189.12640	3.5
189.16335	4.5
191.14270	0.6
191.17897	1.0
195.11664	3.4
197.13228	6.8
197.25475	0.5
198.91814	0.5
199.11121	6.4
199.14673	4.0
201.12602	4.4
201.16298	4.9
203.17952	2.9
205.15858	4.7
207.11557	0.7
207.17442	2.0
209.13235	2.0
211.14792	2.2
213.12581	0.5
213.16353	2.1
215.14209	4.3
215.17894	2.8
217.12190	4.1
219.17368	1.1
223.14825	0.6
225.16374	2.0
227.17816	1.0
237.16248	0.7
239.17804	0.8
241.15862	0.7
253.19545	0.6
261.14609	0.6
263.12781	3.3
265.75989	0.6
275.17987	0.7
277.41647	0.5
279.15796	2.3
279.21173	0.6
330.25729	0.6
365.28629	0.6
403.29889	2.7
405.30951	0.8
409.31055	0.6
421.30865	3.0
423.32455	2.6
431.29617	0.7
439.31952	3.6
449.30344	2.5
455.31226	0.5
457.32870	1.2
459.30328	0.7
467.31442	6.6
485.32474	11.5
503.33627	1.1
541.31586	0.6
549.07788	0.5
649.37274	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	668.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.3
53.03926	2.3
55.01848	2.1
55.05483	1.4
57.03407	2.0
57.07050	1.6
61.02891	1.4
65.03909	0.5
67.05479	5.6
68.99752	0.6
69.03398	10.3
69.07046	3.9
71.01335	0.4
71.04954	0.7
73.02886	1.8
79.05453	9.1
81.03381	10.7
81.07018	100.0
82.07375	0.4
83.04951	2.1
83.08625	0.3
85.02869	21.9
87.00790	8.6
87.04459	0.4
91.05443	0.7
93.07011	2.7
95.04939	2.4
95.08562	15.8
97.02846	9.1
99.04408	3.4
101.02336	0.4
103.03899	1.3
105.01813	6.8
105.06992	1.8
107.08582	1.6
109.02841	12.5
109.06445	0.3
109.10111	1.7
111.04389	1.6
115.03834	0.4
117.01804	0.5
119.04942	0.4
119.08535	1.4
121.10114	0.8
123.04382	2.0
125.02289	0.8
126.16254	0.3
127.03858	19.2
129.01776	0.5
129.05411	0.5
131.08517	0.4
133.10091	0.8
135.04417	0.4
137.13196	9.6
139.03841	0.7
145.04851	2.7
145.10056	0.4
147.04401	0.4
147.10399	0.4
147.34872	0.3
151.03880	2.1
159.02798	2.4
159.11572	0.4
169.04912	3.1
171.02872	1.6
184.57249	0.3
187.05972	1.9
187.14905	0.4
189.03874	4.9
189.05370	0.6
193.04921	1.5
194.67717	0.3
201.16267	0.4
213.03911	2.1
231.04907	4.4
233.06580	0.4
235.06100	0.4
249.05949	1.6
253.06850	0.4
254.10793	0.3
255.04854	0.6
256.20547	0.3
273.05908	9.4
315.07141	1.4
339.07013	1.9
356.67590	0.4
357.08072	1.7
430.21603	0.4
443.08063	1.7
461.08969	2.2
479.10434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43145	0.8
53.92763	0.9
55.05498	4.7
56.08940	0.9
57.03414	3.9
61.02910	6.7
62.52604	0.9
67.05486	8.8
69.03423	7.1
69.07039	4.7
73.02883	5.3
79.05481	7.5
81.03385	4.1
81.07030	8.4
83.04958	4.9
83.08572	1.2
85.02876	8.8
85.06504	1.4
91.03921	2.1
91.05434	7.5
93.06994	12.2
95.04932	5.7
95.08564	8.3
97.02856	5.5
97.06483	1.9
97.10149	1.0
101.02348	1.6
105.06992	11.5
107.08577	13.4
109.02776	1.0
109.06467	1.6
109.10117	5.8
117.06965	1.3
119.08553	9.4
121.10128	9.9
123.08104	1.1
123.11655	1.2
125.09594	1.2
127.03888	1.1
129.06984	1.3
131.08533	5.8
133.10104	8.1
135.08054	1.9
135.10765	0.9
135.11649	7.6
143.08464	1.1
145.10103	6.6
147.11652	4.4
148.11987	1.8
151.11086	1.2
157.10054	3.9
159.11653	3.9
161.13213	1.7
163.14679	1.0
171.11646	1.9
173.13219	2.1
175.11115	1.1
185.13182	2.0
186.87900	0.9
187.14806	2.4
199.14880	1.8
201.16377	2.4
203.14183	1.7
243.08521	2.2
247.08508	1.2
251.12485	4.8
285.10086	1.3
348.20236	1.1
405.31485	1.4
421.30859	1.1
423.32092	2.3
439.19168	10.7
440.32526	2.2
441.32968	8.6
442.33759	5.0
451.31711	1.3
469.20230	11.2
469.33246	6.1
470.33356	2.3
666.31543	1.6
667.32788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3285
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03924	0.9
55.05507	1.3
55.27418	0.6
57.03411	1.7
59.82208	0.6
61.02907	5.5
65.23794	0.6
65.79315	0.7
67.05480	4.9
69.03403	4.0
69.07048	1.3
73.02891	4.0
73.18898	0.6
75.48373	0.7
76.36185	0.7
79.05465	5.4
81.03384	4.8
81.07023	5.1
82.90704	0.7
83.08570	1.0
85.02885	8.6
91.03931	3.2
91.05462	3.6
92.09325	0.9
93.07024	4.8
95.04961	0.9
95.08578	2.9
97.02850	5.4
97.06454	0.7
101.02366	1.6
105.07026	3.0
107.08548	5.5
110.79630	0.7
119.08556	3.6
121.10131	3.7
127.03918	1.5
131.08551	0.9
133.10126	3.4
135.11668	3.7
145.10092	1.7
147.11668	3.4
154.21942	0.9
157.10156	1.7
159.11729	1.1
183.11597	0.8
221.11418	1.4
243.08289	1.7
439.19241	7.6
469.20313	12.7
667.32782	100.0
668.32715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.5
55.05497	16.5
57.07048	3.0
67.05494	15.0
69.03389	3.7
69.07043	15.3
71.04960	2.4
79.05464	16.7
81.03383	3.4
81.07034	40.7
83.08585	18.5
85.02885	14.6
85.06492	2.2
91.05435	17.1
92.08744	2.0
93.07004	40.9
95.04922	3.3
95.08569	56.4
97.02842	3.4
97.06463	3.7
99.08038	9.6
102.16943	1.8
105.06995	48.2
107.07884	3.4
107.08559	68.6
109.06487	3.8
109.10127	45.1
111.08065	8.2
117.06956	4.1
119.08545	83.1
121.10107	59.0
123.08028	10.4
123.11657	19.4
125.09583	7.8
129.06996	3.6
131.08513	35.2
133.08582	2.0
133.10097	75.4
135.07982	3.3
135.11647	29.2
137.09526	3.1
137.13254	3.1
139.11217	2.1
142.07788	2.1
143.08543	26.5
145.10086	62.0
147.11649	42.9
149.09555	14.2
149.13229	13.0
151.07486	2.5
151.11118	10.0
151.78194	1.8
152.18326	1.7
152.85506	1.9
155.08482	2.5
156.09291	2.7
157.10083	35.1
159.11623	48.5
161.07967	1.9
161.09517	3.8
161.13213	26.4
163.11136	7.8
163.14751	17.3
169.10069	11.8
170.10825	2.1
171.11638	33.5
172.12379	2.2
173.13205	48.5
174.13977	1.8
175.11104	2.5
175.14767	48.3
177.09102	3.1
177.12727	2.8
177.16342	11.4
179.14153	2.7
183.11665	11.5
184.12460	2.2
185.13171	46.9
186.13907	2.3
187.14760	61.8
189.16357	16.5
191.14165	3.0
191.17909	2.2
193.15797	9.2
197.13225	13.3
199.14792	39.7
201.12849	2.2
201.16339	33.5
203.14261	20.3
203.17923	3.5
205.15764	8.3
209.13110	4.2
211.14767	15.3
213.16348	42.6
215.14362	2.0
215.17941	8.4
217.15804	4.3
219.17328	15.8
223.14763	4.3
225.16327	4.0
227.17903	3.0
229.19406	2.7
229.92561	1.8
231.17374	9.9
233.15224	8.4
239.17880	9.2
241.19333	2.6
245.15308	9.3
247.16814	2.0
249.14761	10.9
253.19452	3.1
255.20984	4.2
257.19031	2.3
259.16803	16.7
267.21146	2.9
271.20361	2.9
273.18649	2.3
281.22488	2.7
285.18784	2.1
299.19919	2.1
351.26718	2.2
387.30313	7.8
405.31439	50.3
407.33047	8.1
423.32471	33.2
433.30856	38.3
441.33466	36.4
451.32019	42.4
467.15875	2.0
469.33002	48.8
487.34055	100.0
620.27924	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57693	0.5
60.07914	0.5
60.08144	7.8
67.05459	0.9
71.07343	4.3
73.11010	0.6
81.06985	0.6
82.64706	0.5
85.87400	0.7
86.09680	45.0
95.47617	0.5
98.98418	2.5
104.10704	3.6
114.34875	0.6
124.99959	32.4
184.07286	100.0
230.31985	0.6
285.07794	0.6
410.16553	0.7
442.88107	0.6
586.15546	0.6
666.43182	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	667.275
Annotation	Unknow
Peak:m/z	Relative Intensity
107.77247	2.2
130.94516	2.5
135.56538	2.6
141.05988	2.7
142.89412	2.4
257.41449	2.7
287.78311	2.5
377.17523	5.7
390.18369	3.0
391.18912	13.2
392.19675	3.8
405.20819	5.1
407.22058	6.2
419.18289	3.3
435.21552	13.4
447.18054	3.9
451.20944	10.9
459.17664	4.4
465.22684	4.8
473.18973	3.2
479.20660	44.0
502.19778	3.1
505.18448	5.0
506.19287	3.1
515.20673	4.7
517.22052	85.2
549.24866	60.7
575.22437	12.4
593.23584	14.5
607.24518	11.9
607.33197	3.0
608.25812	5.8
635.14154	4.0
635.24664	100.0
667.26874	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87570	0.9
53.03920	2.4
55.05500	13.6
57.03429	1.7
57.07057	2.2
61.02891	2.6
65.05247	1.0
66.36420	1.0
67.05481	15.1
67.93384	1.1
69.03408	10.1
69.07047	13.2
71.04980	1.7
73.02882	1.7
79.05463	15.7
81.03399	2.8
81.07029	29.5
83.04956	7.2
83.08607	9.4
85.02886	29.5
85.06532	2.0
90.78913	1.2
91.03947	1.6
91.05434	16.6
92.09298	2.5
93.07017	37.9
95.04926	6.9
95.08576	46.6
95.65768	1.3
97.02861	9.5
97.06486	5.1
97.10144	2.7
99.04434	1.7
99.08064	17.3
103.13303	1.2
105.07001	43.8
107.04993	1.6
107.08569	72.0
109.06486	2.8
109.10138	25.0
111.08036	2.0
117.06958	7.0
119.08547	100.0
121.10106	34.7
123.08025	6.4
123.11674	13.2
125.09599	2.3
127.03905	1.3
129.06976	2.8
131.08525	45.5
133.10097	62.8
135.08014	17.0
135.11642	34.9
137.09596	7.1
137.13249	2.3
139.11113	3.0
142.07753	5.1
143.08519	17.3
144.09254	2.4
145.04947	2.6
145.10092	46.4
147.11653	47.2
148.11949	1.3
149.09579	6.4
149.13210	11.5
151.11163	6.3
155.08545	5.7
156.09315	2.3
157.10103	22.7
158.10815	2.8
159.11642	39.3
160.82626	1.2
161.09598	7.4
161.13199	26.4
163.11130	8.1
163.14775	13.3
169.10045	9.5
170.10867	1.9
171.11624	20.6
172.12347	1.9
173.13210	34.2
175.11122	7.1
175.14777	29.7
177.12697	2.9
177.16386	5.7
179.10652	1.4
179.14244	5.5
180.08617	2.2
182.10938	1.5
183.11649	11.4
184.12437	1.6
185.13194	29.1
187.11099	1.7
187.14763	68.5
189.12688	2.2
189.16324	16.7
191.14328	10.3
193.15793	5.5
195.11699	1.8
197.13263	12.0
199.14790	24.7
201.12683	2.8
201.16333	42.2
203.14241	20.9
203.17908	5.6
205.15819	15.3
209.13171	2.5
211.14748	11.1
213.16385	19.1
215.14317	2.3
215.17899	6.0
217.15799	8.5
219.17363	6.7
221.15343	12.5
223.14851	1.9
225.16371	7.9
227.17929	6.9
229.15874	6.1
229.19429	2.0
230.25871	1.3
231.17368	6.9
235.14723	1.3
235.16864	2.1
239.17967	5.2
245.15247	1.6
247.16925	1.9
249.14690	3.0
253.19427	2.5
259.16992	2.7
259.20386	1.9
261.18307	1.6
265.19531	1.8
267.20941	2.3
283.20490	1.9
285.22076	1.4
301.21402	1.4
333.25635	1.6
333.37048	1.2
351.26620	6.2
363.26544	1.5
369.27878	1.6
387.30197	5.1
405.31387	39.0
407.32849	2.6
417.97385	1.5
423.27048	2.4
423.32477	55.1
423.38202	1.9
433.30896	11.8
441.33533	65.2
451.31982	30.9
467.31509	1.7
469.33069	36.7
487.34100	15.7
634.23370	5.4
649.38757	1.6
667.32806	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	666.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01847	4.3
55.05490	14.9
55.36394	0.8
56.96538	0.8
57.03419	10.0
57.07062	7.7
61.02902	53.4
67.05482	72.3
67.14945	0.7
69.03391	7.5
69.07040	12.8
71.04974	7.0
73.02554	1.2
73.02892	20.3
75.04456	1.1
79.05461	74.5
81.03384	4.2
81.07024	75.9
82.11170	0.9
83.04943	5.4
83.08593	7.5
85.02876	58.6
85.06508	6.4
91.03922	36.7
91.04890	1.7
91.05441	38.4
93.07008	93.6
95.04906	5.2
95.08570	53.3
97.02859	24.6
97.06476	5.6
97.10152	2.3
99.04417	2.3
99.08045	7.4
103.03837	1.0
105.06304	1.3
105.06995	29.7
107.08562	55.3
109.02811	1.2
109.06492	2.2
109.10117	31.5
111.08022	4.7
113.09608	2.3
115.03894	1.7
117.06978	15.8
119.04866	4.2
119.08543	24.0
121.10100	57.8
123.08001	3.9
123.11660	16.4
125.09571	1.6
127.03888	12.5
131.08528	41.8
133.10068	33.3
135.08000	1.6
135.11642	55.6
137.09579	3.9
137.13210	4.1
139.11171	1.4
145.04915	12.7
145.10080	31.4
147.04355	6.3
147.11642	22.1
149.09552	6.0
149.12022	1.5
149.13210	34.3
151.11157	2.1
157.10086	2.0
159.11632	28.1
161.13222	4.7
163.05963	20.7
163.11116	2.1
163.14749	1.5
171.11478	1.2
173.13174	23.8
175.14719	1.8
177.12733	3.6
187.14690	6.9
189.16342	2.2
191.14194	1.6
205.15807	4.2
205.19498	9.1
213.16075	1.1
215.17880	78.3
233.18919	100.0
249.21664	1.2
251.19859	1.4
262.26630	1.0
269.84909	1.0
307.22607	9.4
325.23624	49.2
405.23267	1.2
469.27502	1.6
666.34363	1.5
680.56476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
55.05503	4.0
57.03416	1.1
57.07048	1.1
59.04983	0.7
61.02901	1.0
65.03912	0.5
67.05479	6.2
69.03408	3.0
69.06732	0.5
69.07031	5.0
71.04934	0.9
73.02879	0.6
79.05447	7.2
81.03371	3.0
81.07018	12.6
81.28743	0.5
83.04955	1.3
83.08588	3.8
85.02869	9.4
85.06505	1.0
91.05431	6.7
93.07008	17.9
95.04926	0.8
95.08570	15.3
97.02853	3.4
97.06483	0.9
97.10170	0.6
99.08057	11.8
105.06990	15.2
107.08556	34.0
109.02864	0.8
109.06507	2.5
109.10120	12.9
111.08054	1.0
117.06990	3.2
119.08533	27.4
121.06430	0.7
121.10099	16.7
123.08018	1.2
123.11663	3.8
125.09589	0.8
127.03894	0.8
129.06963	1.3
131.08521	14.6
133.10081	21.1
135.08017	1.1
135.11633	10.8
137.09589	3.0
137.13210	0.7
141.07030	0.6
142.07680	0.7
143.08507	9.0
145.10072	21.5
147.11647	32.7
149.09607	1.0
149.13252	5.1
151.11162	2.6
153.12723	2.4
155.08528	2.0
156.09270	2.7
157.10080	14.7
159.11632	20.2
161.09563	0.6
161.13193	10.8
163.11121	2.3
163.14812	3.4
165.12723	0.8
169.10088	4.1
170.10835	1.1
171.11638	12.7
172.12460	1.0
173.13184	19.0
173.14581	0.9
175.11147	1.2
175.14743	6.2
177.12729	3.1
177.16376	2.7
179.14293	0.9
180.08627	1.0
181.10085	1.0
182.10849	0.9
183.11649	11.5
184.12349	0.7
185.13170	12.9
187.14743	18.6
189.16338	3.8
191.14188	1.2
195.11659	0.7
195.13742	1.2
197.13179	8.6
199.14751	17.1
201.16328	8.1
203.14247	1.2
203.17813	0.9
205.15804	11.0
209.13181	2.6
210.13947	0.6
211.14777	4.8
213.16287	9.9
215.14214	1.0
215.17818	2.9
217.15872	2.7
221.13216	0.7
223.14723	2.3
223.16914	2.7
225.16344	3.3
227.17928	3.0
231.17369	3.0
233.19087	0.9
237.16284	1.4
239.17865	3.1
241.19469	2.4
245.19101	0.7
251.17903	1.2
253.19461	5.8
255.20921	1.0
257.18933	1.2
259.20386	0.8
263.18008	1.1
265.19385	3.2
267.21048	0.8
269.19000	0.9
271.20517	3.5
279.21017	0.6
283.20453	17.8
285.22107	1.3
291.21072	0.8
301.21542	7.4
309.21976	0.7
333.25580	2.5
335.23456	1.0
351.26654	5.6
369.27728	10.5
370.27994	0.7
387.30356	0.9
405.31400	12.0
423.32410	19.8
441.33466	100.0
442.33914	2.0
451.27393	0.6
451.32019	9.4
454.11987	0.6
469.33060	6.0
487.33759	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	665.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59031	0.3
54.00723	0.3
54.81177	0.4
55.05494	4.7
57.07042	2.5
67.05479	5.1
69.07040	5.3
71.08581	0.4
74.49533	0.4
79.05464	3.5
81.07023	10.9
83.07745	0.4
83.08600	4.6
86.89797	0.4
89.03880	7.3
91.05436	6.1
92.08712	0.8
93.07013	12.2
95.04945	0.5
95.08567	18.8
97.10138	1.0
99.08051	1.9
103.05396	0.5
105.06996	12.9
107.08556	22.2
109.06503	0.9
109.10123	13.4
111.04395	0.4
114.35554	0.4
117.03334	24.6
117.06986	2.1
119.05007	0.4
119.08539	26.5
119.09411	0.8
121.06507	0.5
121.10098	16.3
123.11655	4.7
125.05947	0.5
129.06958	1.7
131.08517	10.0
133.10078	20.5
134.03587	2.0
134.44344	0.4
135.04355	3.0
135.11649	10.1
137.09532	0.4
137.13193	2.5
142.07668	0.7
143.08499	5.4
144.09299	0.7
145.02800	68.3
145.10074	17.4
147.11633	12.9
149.05934	11.6
149.13208	5.9
149.54576	0.5
151.11102	0.5
153.05344	0.9
155.08482	0.7
156.09308	0.7
157.10077	8.1
158.10788	0.7
159.11627	12.7
161.13202	6.9
162.03119	0.6
163.03827	2.9
163.07448	0.5
163.11111	2.1
163.14777	5.2
165.12708	0.5
169.10057	2.1
170.10851	0.8
171.11646	4.9
173.13187	10.9
175.14751	7.7
177.05402	100.0
177.16301	3.8
179.14229	0.7
183.11656	2.6
185.13199	11.2
186.05412	0.6
187.14749	13.8
189.16301	5.6
191.17880	2.7
195.06483	9.8
195.11560	0.7
197.13208	2.3
199.14737	7.7
201.16322	15.8
203.14270	7.5
203.17938	5.3
205.15721	3.3
207.17360	1.8
209.13132	0.9
211.14700	2.5
213.16364	5.3
215.14301	0.5
215.17882	2.6
217.15654	0.6
219.17369	0.8
223.14816	1.4
223.16754	0.5
225.16258	1.8
227.17932	2.1
231.17395	0.6
233.15259	2.0
237.16203	0.7
239.17964	1.6
241.19499	0.9
245.15308	1.7
247.16812	0.9
249.14639	4.2
251.17734	0.9
253.19389	0.5
255.20888	0.6
259.16888	0.7
265.19443	0.4
267.21039	0.8
269.22421	0.6
279.21005	0.7
295.24057	0.5
297.18329	0.4
307.24323	0.7
319.23923	0.6
339.23224	0.6
349.28693	0.6
367.29276	0.5
389.32065	3.3
395.29413	0.9
407.27823	0.7
407.32925	12.8
409.30341	1.5
425.34012	3.5
435.32504	7.9
453.33517	5.5
471.34583	3.5
647.39325	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	665.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46415	2.0
109.10123	2.5
148.42468	1.9
155.61432	1.8
184.07382	2.1
197.78210	2.3
297.86475	1.9
430.18018	2.4
443.18570	4.2
445.20102	2.5
458.20645	3.6
459.21970	7.9
475.20978	3.6
486.20398	2.2
545.25415	3.1
561.24573	7.3
605.26984	3.2
621.27344	3.3
665.29529	100.0
665.41113	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	665.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52071	1.0
55.01871	1.0
55.05494	2.2
57.03413	2.2
57.40616	1.1
59.99942	1.0
61.02901	5.7
61.45013	1.1
67.05470	7.9
69.03418	2.0
69.07023	1.4
71.04956	1.6
73.02888	2.1
79.05453	5.2
81.03396	1.4
81.07016	6.0
83.08600	1.3
85.02881	5.5
91.03932	4.8
91.05434	4.9
93.07001	7.5
95.08588	2.4
97.02866	2.7
97.06480	1.9
101.02322	1.7
103.03879	1.2
105.06999	2.4
107.04939	1.3
107.08568	7.2
109.10110	2.8
119.08543	4.9
121.10161	1.5
127.03835	1.3
131.08566	1.7
133.10112	1.6
135.11629	7.3
139.01587	1.2
139.98126	1.1
145.10074	1.8
147.04382	1.7
147.11644	1.4
163.11191	2.0
164.24008	1.0
165.10341	1.0
169.10011	1.5
171.11510	1.7
201.59427	1.2
241.28001	1.1
298.68979	1.1
406.08508	1.4
421.31143	1.3
422.31229	2.2
439.19150	8.2
439.31845	2.3
467.18536	9.0
611.83990	1.4
665.31128	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04134	0.6
53.20730	0.7
55.05472	1.1
57.03420	1.4
58.87499	0.7
61.02899	5.2
67.05482	7.1
69.03398	2.0
69.07046	1.8
70.77019	0.8
71.20456	0.9
72.75885	0.7
73.02882	2.0
79.05451	4.4
81.03378	1.7
81.07021	8.4
83.08585	1.5
85.02873	3.9
91.03947	1.3
91.05457	3.4
93.06998	5.9
95.04958	1.1
95.08601	1.4
97.02851	3.8
97.06523	1.3
105.07013	1.4
107.08559	5.1
119.08496	1.1
121.10129	1.8
121.34790	0.9
127.03883	1.5
131.08531	1.2
133.10071	0.9
149.13217	4.1
152.35788	0.8
159.11592	1.1
169.33981	0.8
235.13101	0.9
243.08348	1.3
284.07217	0.8
322.61652	0.8
447.26819	0.8
453.20773	18.9
568.11218	1.1
665.34796	100.0
666.35004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07259	0.4
52.00094	0.5
53.00279	0.5
53.26320	0.5
55.05279	0.5
55.05494	8.3
57.07041	2.6
66.42586	0.5
67.05476	6.9
69.07036	10.0
73.88543	0.5
74.45591	0.5
76.57898	0.5
79.05471	5.6
81.07019	16.4
83.08587	11.4
83.49837	0.5
89.03899	6.9
91.05441	7.7
93.07011	14.8
93.42828	0.6
95.04940	0.6
95.08568	29.6
99.08033	2.2
103.05423	0.8
104.78938	0.5
105.06998	20.4
107.08553	27.9
109.06440	1.1
109.10120	12.8
111.08042	0.8
117.03333	21.1
117.06979	2.9
119.08537	36.7
121.10095	17.0
123.08011	0.8
123.11657	6.9
125.09555	0.5
128.06247	0.6
129.06964	2.2
131.08525	14.7
133.10085	19.2
134.03645	1.1
135.04364	3.2
135.07988	0.6
135.11638	14.2
137.13222	2.1
142.07732	1.0
143.08554	8.6
144.09279	2.4
145.02797	64.7
145.10075	24.0
147.11642	14.7
149.05928	13.5
149.13216	5.5
151.07516	0.6
153.09113	0.8
155.08499	2.8
157.10072	9.8
158.10817	1.0
159.10394	1.1
159.11635	19.1
161.13193	9.4
162.03101	0.7
163.03841	3.8
163.07474	2.2
163.11133	0.6
163.14746	3.6
169.09996	3.8
170.10857	0.8
171.11597	8.1
173.13211	9.4
175.14755	10.5
177.05403	100.0
177.16331	7.3
182.10825	0.6
183.11642	3.8
185.13170	9.2
186.05569	0.8
186.13869	0.7
187.14757	15.0
189.16312	13.4
191.17857	2.8
195.06480	16.4
195.11613	1.2
197.13193	4.7
199.14748	10.1
201.16321	19.4
203.14236	6.5
203.17845	6.2
205.15755	1.3
207.17332	4.1
209.13264	2.1
211.14735	6.2
213.16331	12.0
215.17799	4.0
219.17393	0.9
221.15378	0.6
223.14809	1.2
225.16301	2.8
227.17816	2.2
229.19423	1.0
231.13750	0.8
231.17349	2.5
233.15218	2.5
239.17822	2.1
241.19432	2.4
243.21053	0.8
245.15263	3.5
247.16901	2.4
249.14752	3.3
251.17812	0.8
253.19418	3.7
259.16837	3.4
265.19656	1.0
267.20972	2.2
279.21060	0.7
293.22321	0.7
295.24066	0.9
297.18347	0.6
299.20047	2.3
300.29208	0.6
305.22882	0.7
307.24045	0.8
353.24744	0.7
363.30682	0.7
389.31964	7.4
391.33694	0.6
407.32977	10.6
409.30661	10.7
425.34018	1.2
427.31857	2.5
435.32410	26.3
453.33505	11.0
527.83337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.8
55.05498	3.0
56.96546	1.5
57.03410	3.1
61.02893	1.4
65.67923	0.7
67.05486	7.5
69.03400	3.8
69.07034	4.3
71.04959	1.3
79.05458	9.5
81.03389	3.5
81.07030	13.4
82.07354	0.6
83.04973	1.3
83.08584	2.9
85.02879	6.9
85.06522	0.7
91.05443	8.6
93.07012	21.3
95.04947	1.6
95.08580	11.6
97.02840	4.1
97.06456	0.8
99.04416	5.2
99.08042	5.3
105.06998	12.7
107.08563	32.4
109.06487	2.8
109.10121	4.5
117.06990	3.0
119.08535	16.7
121.10114	11.6
123.08054	1.5
123.11643	3.0
125.09600	1.2
127.03870	1.0
129.06978	1.4
131.08522	11.6
133.10086	13.1
135.08008	3.8
135.11650	7.6
136.12033	0.8
137.09517	0.8
142.07680	1.3
143.08527	7.8
145.10098	11.9
147.04390	1.0
147.11652	28.9
149.09586	1.7
149.13231	1.5
151.11192	1.1
154.62517	0.8
155.08549	1.6
157.10072	10.4
159.11644	12.7
161.13206	5.2
163.11145	3.3
163.14783	1.2
169.10056	4.1
170.10751	0.9
171.11652	8.1
173.13203	13.5
175.11134	1.2
175.14851	4.3
183.11664	6.3
185.13188	8.8
187.14626	5.2
189.12692	1.4
189.16420	1.0
195.11668	1.0
197.13214	4.8
199.14725	10.0
201.16307	3.1
203.14220	1.7
209.13242	1.6
211.14789	2.9
213.16335	5.1
221.15221	1.1
223.14700	1.2
225.16333	1.1
227.17749	1.5
235.14864	0.9
237.16298	0.8
241.15952	0.8
248.36929	0.8
253.19487	2.8
255.15704	1.0
267.15823	0.8
273.18463	1.1
281.18787	1.4
299.19958	21.6
299.23279	0.9
349.25180	1.2
351.23148	0.8
367.26196	26.1
403.29697	1.4
421.30902	11.0
439.31924	100.0
440.32077	1.6
466.28497	3.6
467.30136	3.9
485.32199	1.1
622.33496	3.2
659.73828	0.8
664.29718	3.5
665.30713	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	664.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48650	2.0
55.05490	13.1
55.99126	1.8
57.03413	21.0
57.07057	41.6
57.07315	4.3
57.89105	2.1
59.04966	2.7
61.02901	11.3
67.05481	100.0
69.07051	9.5
71.04937	2.2
71.08611	24.5
77.58894	2.5
79.05470	2.1
81.07025	27.8
83.08588	15.6
85.02908	3.6
85.10152	12.8
87.04425	3.0
91.03899	2.7
91.05443	3.3
93.07008	4.7
95.04958	2.4
95.08567	24.7
97.10126	3.6
108.43480	2.7
109.10123	97.9
111.78468	2.4
119.08550	5.2
144.72665	3.0
173.11729	18.3
192.84520	2.3
229.14264	68.7
313.27261	68.9
449.62753	2.6
453.03952	2.5
467.37128	47.8
499.88791	2.4
541.59943	2.4
560.45007	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01838	1.1
55.05488	1.1
60.58178	0.8
67.05471	1.6
69.03396	1.4
69.07043	8.1
69.10406	0.9
79.05451	1.5
81.07047	1.4
84.08063	1.0
84.15766	0.9
85.02871	1.4
85.24933	0.8
91.05466	1.1
93.07021	1.7
94.06544	7.6
95.04907	1.6
95.08573	1.2
97.02871	1.1
97.06493	1.9
105.07000	3.5
106.47293	0.9
107.04919	1.8
108.08081	2.1
111.04466	1.0
118.06533	1.2
118.15640	0.9
121.10083	1.5
122.05981	31.4
123.04396	5.4
125.02341	0.9
133.10103	0.9
134.05992	1.2
135.04324	1.3
137.02295	0.8
137.05927	1.1
137.09608	0.8
138.03117	0.9
139.58319	0.8
140.07016	38.2
140.51649	0.8
144.04427	4.4
145.02748	1.6
146.05952	13.1
147.04405	1.5
148.07501	3.6
152.07057	1.3
153.04175	2.1
153.05417	55.7
154.05771	17.1
160.07495	2.1
162.05479	2.0
163.03856	3.6
163.06232	1.1
166.08664	1.0
167.06943	1.4
172.03867	25.5
173.04541	1.1
174.05421	19.3
176.07008	13.5
185.10670	1.1
190.04938	5.3
191.03252	1.8
191.05727	1.8
192.06502	1.7
195.06407	7.8
196.06834	4.2
197.10677	1.2
197.52069	0.9
199.08624	3.5
200.09335	3.5
204.06483	34.4
206.08081	9.1
209.16350	1.0
210.14742	1.1
211.08594	1.8
213.10172	5.3
215.11778	3.6
223.08655	1.5
225.10161	1.9
229.09625	1.5
229.13181	2.2
237.10100	1.2
239.11826	2.1
240.72914	0.9
241.09511	1.1
243.11220	21.5
251.11681	1.2
253.09625	1.5
255.11180	1.6
256.11923	1.5
257.12769	3.6
265.09518	3.6
269.09167	1.6
270.09937	1.1
271.10602	2.1
273.12186	1.6
275.13785	1.5
277.09518	1.5
279.11221	0.9
281.12582	1.0
283.10583	7.9
284.11456	1.4
285.12195	20.5
287.10156	4.8
287.13797	1.1
297.12125	1.5
299.10123	2.0
302.12863	1.7
303.13309	30.4
304.14270	2.0
313.11740	24.1
316.10822	1.1
316.14359	1.7
317.15219	1.5
318.15958	3.6
319.16519	4.3
323.10181	2.0
325.12003	1.1
330.12283	3.7
331.12692	11.2
332.13754	1.0
332.17639	1.3
344.13687	5.4
345.14380	16.0
346.15192	5.9
347.16061	4.9
355.13358	1.0
356.13882	1.9
358.15411	2.2
360.16959	6.4
363.15131	1.4
370.11655	1.4
371.12488	1.7
372.13083	6.6
373.14038	6.1
374.14810	5.6
381.10254	1.0
386.14780	13.0
387.15692	7.9
388.16473	8.1
400.16812	1.3
401.13281	1.3
402.14038	1.6
404.15692	4.1
405.16855	1.7
406.17383	7.3
414.14337	10.1
415.15073	20.9
416.15863	27.5
418.18048	1.7
424.15256	1.1
429.16318	1.3
430.17587	6.4
432.15082	3.6
433.16113	5.7
434.17038	8.7
446.17038	7.3
447.17450	4.1
456.15265	3.4
457.15488	1.1
460.14725	1.3
474.16400	19.8
475.17123	10.4
476.17947	3.9
506.19232	3.4
573.23254	1.3
597.23492	2.8
615.24304	100.0
616.23999	4.5
633.25024	1.2
647.26886	6.8
665.27454	3.7
665.49255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30992	0.6
53.00294	1.1
54.45519	0.7
57.07058	60.7
57.07341	2.0
69.41181	0.8
71.04390	0.7
72.23718	0.7
80.31681	0.7
80.55209	0.6
87.04449	1.3
91.05426	6.6
99.79206	0.9
105.06979	0.8
110.30360	0.8
116.26902	1.0
119.08537	1.8
147.11656	9.6
153.06917	4.0
233.03506	4.9
251.04604	15.7
307.10953	1.9
327.07675	100.0
383.13913	61.2
439.20169	68.5
495.26373	51.6
551.32611	45.4
552.32684	1.4
607.38873	48.4
663.44934	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	664.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.0
55.01847	5.3
55.05490	18.8
57.03156	1.0
57.03417	20.7
61.02904	7.3
65.03899	1.8
67.05476	39.4
69.03401	6.4
69.07041	10.5
70.83820	0.6
71.04964	5.9
73.02883	1.1
73.30571	0.8
78.40809	0.7
79.05007	1.2
79.05452	30.9
81.03379	100.0
81.07020	33.5
83.04950	20.0
83.08585	19.2
85.02865	38.7
85.06471	1.5
91.05437	95.3
93.06998	38.5
95.04922	28.9
95.08562	26.6
97.02840	8.9
97.06495	5.4
97.10126	3.4
99.08018	1.1
103.05433	0.9
105.06977	28.9
106.04129	1.9
107.04929	7.5
107.08557	6.5
109.06457	5.8
109.10107	14.5
109.45658	0.8
111.04407	1.1
111.08040	9.1
113.05960	3.5
115.05344	1.1
117.06958	6.9
119.04839	0.8
119.08529	90.6
120.06878	0.8
121.06454	9.3
121.10093	9.9
123.08001	3.4
123.11644	1.4
125.09596	1.0
129.06950	11.7
131.08513	11.6
133.06424	3.4
133.10086	10.1
135.08011	1.6
135.11665	0.8
137.05885	0.8
137.09561	31.3
142.07732	3.3
145.10114	2.8
147.07988	11.5
147.11633	14.4
149.05960	3.3
149.09583	6.2
157.10072	15.7
165.09042	22.5
165.12715	3.5
167.06958	14.5
175.11113	14.7
177.05409	1.5
181.08548	1.1
183.10088	8.1
184.07346	1.3
193.12167	34.5
209.08018	5.1
211.13208	42.6
213.09351	0.8
221.65935	0.8
239.12624	15.1
257.13718	29.4
267.15778	19.9
285.16843	37.8
327.13153	1.0
339.13208	2.0
339.19522	1.7
340.13654	1.3
357.20358	4.6
368.13110	1.1
405.22540	1.2
413.23184	1.1
431.24084	21.7
449.25128	22.4
467.26196	53.3
468.26462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01852	1.1
55.05489	7.9
57.03418	4.6
57.07050	1.0
59.04989	0.6
61.02885	1.3
67.05484	10.0
69.03412	5.0
69.07043	8.3
71.04973	1.1
71.63882	0.6
77.93380	0.7
79.05450	8.0
81.03374	7.1
81.03806	0.6
81.07024	23.6
83.04958	4.4
83.08587	4.5
85.02880	15.4
86.09683	1.3
91.05447	16.0
92.20154	0.7
92.34465	0.7
93.07011	23.0
95.04927	3.0
95.08569	31.0
97.02856	4.3
97.06498	3.7
99.04427	1.2
101.05989	4.3
103.05427	0.7
105.06992	29.1
107.08555	40.5
109.02859	0.7
109.06491	4.2
109.10127	15.1
111.08037	1.0
117.06971	4.5
119.08539	64.4
121.06482	3.0
121.10101	30.3
123.08028	5.9
123.11656	7.9
125.09572	1.3
127.03767	1.1
129.06961	3.2
131.08522	17.1
133.10083	29.3
135.07976	7.7
135.11647	19.3
137.09578	8.1
137.13202	2.6
139.07497	1.0
141.06972	0.8
142.07742	4.2
143.08495	12.2
144.09311	1.5
145.10074	46.0
147.08008	3.4
147.11636	24.6
149.09619	5.1
149.13203	12.2
151.11131	0.8
155.08498	3.2
156.09267	5.1
157.10086	25.3
158.10849	4.2
159.08034	0.9
159.11624	30.9
161.09557	4.6
161.13200	15.1
163.07495	5.3
163.11101	10.3
163.14737	7.6
165.09016	3.6
165.12685	1.6
165.16382	0.7
167.07001	1.4
169.10054	5.4
170.10852	6.3
171.11621	20.8
173.09557	1.0
173.13190	27.9
175.11130	5.2
175.14769	16.9
177.12703	2.9
177.16333	3.7
179.10640	3.8
179.14174	1.1
180.08588	1.6
181.10100	2.9
182.10863	1.2
183.11626	11.1
184.07263	2.7
184.12439	2.8
185.13184	26.3
187.14748	33.9
189.09076	1.0
189.12738	1.4
189.16313	12.4
191.14265	12.8
193.12273	1.0
193.15828	2.6
195.11613	2.8
197.13234	7.7
199.14763	34.4
201.12650	0.9
201.16309	17.4
203.14252	5.0
205.15849	4.3
209.13242	3.0
211.14713	4.9
213.16263	5.1
215.14346	2.9
215.17853	1.3
217.15826	5.2
219.17339	0.9
221.13202	1.4
221.15263	15.8
223.14685	1.2
225.16251	2.5
227.14291	0.9
227.17914	4.2
229.15825	1.6
229.19444	0.9
231.17450	4.2
233.13232	0.9
233.15324	4.2
235.16899	3.3
237.16273	1.3
239.17841	1.5
245.15300	1.7
253.19495	2.7
255.21033	0.9
257.13492	2.1
265.19467	0.9
267.15823	5.8
285.16946	4.3
287.05392	0.8
385.28598	0.9
403.29803	9.4
405.31274	6.6
421.30783	22.8
423.32376	16.2
431.29349	5.1
449.25613	0.7
449.30481	9.4
464.76160	0.9
467.31479	100.0
485.32413	2.8
616.57849	0.9
680.90027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.1
53.71904	5.0
55.05490	38.6
55.15513	4.7
57.03410	10.2
57.07052	10.9
57.89783	5.1
57.94698	4.5
62.38603	4.8
67.05479	100.0
69.07041	28.5
71.49122	4.7
79.05457	86.6
81.03441	5.6
81.07017	91.6
83.08580	10.2
84.60207	4.6
87.04439	28.4
90.05517	4.6
91.05421	58.9
91.67328	5.0
92.08617	6.6
93.07018	80.7
95.04916	9.2
95.08575	76.6
105.07003	36.7
107.08566	35.3
109.06496	9.1
109.10161	6.9
117.06992	9.9
119.08565	30.7
121.10117	27.1
131.08546	23.7
133.10086	26.9
135.11679	24.0
145.10081	8.9
147.11670	7.8
149.09517	8.5
159.11679	10.8
193.15274	5.8
260.22699	5.7
269.17307	7.3
275.19937	7.9
310.02789	5.5
316.21158	6.2
335.25751	39.7
349.23538	8.8
506.37094	7.2
529.38458	50.5
569.41803	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	663.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.0
55.95188	1.5
59.39040	1.3
61.02911	1.8
61.52352	2.0
64.22021	1.4
66.30067	1.5
67.05477	8.3
69.03402	1.5
69.07054	2.2
73.02887	2.9
74.43146	1.6
74.46333	1.6
77.63493	1.7
78.62420	1.9
78.88486	1.6
79.05467	11.2
81.07016	8.0
85.02865	6.6
91.05430	3.8
93.07020	10.1
95.08594	3.4
96.28474	1.5
97.02866	2.4
97.06515	1.8
105.07018	3.0
105.64780	2.1
107.08566	4.3
109.10119	2.1
119.08517	2.3
121.10163	1.9
135.11655	6.5
145.10075	2.7
147.11638	1.9
163.11185	1.6
191.03363	2.8
201.16335	2.0
213.16458	1.8
221.64445	2.1
273.71909	2.0
369.74615	1.8
439.19229	14.5
465.20932	3.5
546.36749	2.1
663.33258	100.0
663.44440	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	663.3879
Annotation	Yungensin E
Peak:m/z	Relative Intensity
55.05495	5.0
57.07055	1.5
67.05473	6.5
69.03399	0.7
69.07034	6.5
79.05450	5.1
81.07030	9.2
83.08594	5.1
85.06480	1.3
89.03886	6.4
91.05445	5.2
93.07006	12.1
95.04916	1.5
95.08562	13.0
105.06991	19.4
107.08565	16.8
109.06483	1.0
109.10117	10.5
117.03345	25.4
117.06989	2.2
119.08537	23.1
121.10088	14.0
123.11673	2.2
129.06979	1.4
131.08507	13.8
133.10095	16.7
134.03589	1.0
135.04402	2.1
135.11667	9.7
137.09587	1.1
141.06990	1.3
142.07779	2.0
143.08580	6.8
145.02803	72.9
145.10077	22.3
147.11641	8.8
149.05962	11.3
149.13208	6.2
155.08487	1.8
155.13327	1.1
156.09351	1.6
157.10098	9.8
158.10846	1.4
159.11642	18.7
161.13220	4.5
163.11116	5.4
163.14767	2.0
168.09349	1.0
169.10179	3.5
170.10841	2.4
171.11633	6.2
173.13179	17.3
175.14720	7.1
177.05408	100.0
177.16380	2.4
180.43213	0.9
181.10077	1.0
183.11609	13.8
185.13200	10.8
187.14745	16.3
189.16362	5.6
195.06448	6.2
195.11563	1.6
197.13206	5.5
199.14764	10.5
199.93922	1.1
201.12694	19.8
201.14526	1.6
201.16302	8.6
203.17946	1.2
205.12267	2.3
205.15833	3.8
207.11710	1.3
209.13290	1.7
211.14786	2.2
213.16287	1.4
215.17929	1.5
217.15985	1.1
223.14655	1.4
225.16386	1.2
241.19408	1.1
247.13208	6.2
345.86536	1.1
387.30490	1.2
389.31720	1.2
405.31351	6.1
405.79160	1.3
407.33160	1.4
423.32263	5.5
433.30948	5.7
435.27640	1.2
451.31985	5.0
464.71512	1.2
469.32965	1.3
611.47009	1.0
615.80853	1.0
645.37390	4.9
663.31604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82597	1.6
51.24435	1.6
53.03932	3.4
53.61971	1.5
55.01855	3.4
55.05494	24.3
57.03418	29.2
57.07050	2.9
59.04934	2.2
61.02897	7.3
65.03916	1.9
66.76820	1.7
67.05479	60.8
69.03410	3.5
69.07038	17.5
71.04975	7.4
79.05457	65.0
81.03387	77.8
81.07023	37.0
83.04949	31.6
83.08591	25.2
85.02863	25.9
85.06519	3.8
91.03896	2.1
91.05432	44.5
93.07001	58.8
95.04927	34.2
95.08562	16.2
95.09141	1.9
95.55154	1.8
97.02888	3.5
97.06493	13.5
97.10137	18.3
105.06987	26.1
107.04951	8.9
107.08558	36.2
109.06511	4.2
109.10122	8.4
111.04418	3.2
111.08018	4.4
117.06985	3.4
119.08527	25.2
121.06473	2.6
121.10088	16.7
125.09635	2.1
126.20981	1.8
129.06958	10.5
131.08528	12.8
133.06458	3.0
133.10117	17.4
135.11653	43.2
137.09576	6.9
145.10071	9.5
145.17789	2.1
147.07953	2.6
147.11681	18.4
149.09584	8.0
157.10065	17.6
163.11174	8.4
165.12573	2.5
171.53197	2.2
175.11046	14.0
181.12209	4.2
191.03378	2.8
193.12173	45.3
211.13257	40.6
255.15784	52.8
264.57693	2.5
267.15787	21.9
285.16864	28.7
317.14871	4.5
353.65363	2.1
421.25797	3.4
447.27118	71.3
465.28351	100.0
466.28232	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	662.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	3.1
61.51847	2.4
62.00935	2.6
63.20354	2.5
65.79270	2.2
71.24935	2.6
80.91320	2.8
87.04424	15.1
92.09358	6.3
210.25446	3.0
258.10947	2.9
419.18726	3.6
431.18137	4.0
433.23581	11.7
447.17844	6.4
459.21658	60.1
460.22226	11.0
461.23312	5.0
473.23117	3.7
475.20874	17.9
519.23572	11.1
533.22211	3.5
547.26965	36.8
593.23511	6.5
606.28217	100.0
607.28351	4.0
622.27557	62.3
662.28882	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	662.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
54.82322	0.7
55.01857	11.2
55.02288	0.6
55.05493	16.6
56.50329	0.6
57.03418	21.6
57.07055	0.9
57.97140	0.6
59.04977	0.8
61.02899	9.5
64.41033	0.7
65.03916	1.0
67.05482	28.0
69.03405	6.6
69.07038	9.6
71.04964	5.7
73.02882	4.1
76.55711	0.8
79.05461	46.6
81.03384	69.8
81.07027	28.6
83.01331	7.1
83.04946	20.5
83.08588	19.0
85.02874	34.4
85.06503	1.0
91.03906	3.1
91.05444	74.9
93.07010	42.2
95.04931	25.8
95.08567	16.3
97.02872	9.1
97.06494	4.8
97.10137	3.4
99.04407	1.3
105.03394	0.7
105.07003	23.3
107.04915	12.5
107.08556	30.6
109.06490	7.9
109.10129	5.4
111.04408	5.8
111.08043	10.1
115.05411	6.7
117.06985	39.2
119.08539	36.5
121.06463	4.2
121.10082	12.7
123.04390	1.7
123.08026	4.6
125.05943	1.3
125.09550	2.8
129.05458	0.9
129.06956	10.7
131.08519	10.6
133.06482	3.0
133.10080	11.4
135.08006	38.8
135.11633	1.6
137.09567	8.2
139.03928	0.8
142.07719	1.5
145.06488	1.2
145.10046	5.8
147.04388	1.8
147.07993	5.0
147.11647	12.2
149.09598	7.1
149.13213	1.3
151.03970	0.9
153.09091	1.1
155.06033	0.8
157.10086	9.7
163.03903	0.8
163.07500	4.1
163.11174	5.3
165.05516	0.8
165.09064	3.9
165.12743	1.7
165.74512	1.0
167.06961	1.0
173.09569	1.3
175.11131	12.0
177.05348	0.9
181.05006	1.0
181.08485	1.2
183.10165	1.0
184.07236	2.9
191.06911	1.1
193.12166	29.8
196.83441	1.1
199.09441	0.9
211.13211	38.7
249.14853	1.0
255.12169	30.7
257.11435	1.1
257.13821	4.9
267.15695	8.6
283.15338	9.9
285.16879	26.4
355.18771	1.6
429.22363	4.1
436.12463	0.9
447.23544	14.6
465.24683	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05498	0.6
51.75257	0.7
52.73122	0.7
53.03921	1.7
54.06715	0.6
55.01856	7.6
55.05481	5.8
56.41433	0.7
57.03403	3.7
57.07029	1.0
59.04976	3.2
65.03915	7.9
67.05483	6.6
69.03388	3.6
69.07021	3.7
71.04962	1.0
74.80066	0.8
75.04440	4.5
78.04678	1.6
79.05455	10.8
79.95356	0.8
81.03385	6.3
81.07013	4.7
82.04139	1.2
83.04908	1.1
83.08580	5.1
85.02879	14.9
86.09644	1.4
87.04418	0.9
89.03852	1.0
89.05996	19.0
91.05444	20.5
93.03368	11.4
93.07015	12.7
95.04932	14.2
95.08546	3.2
97.02840	1.0
97.06481	6.7
97.10131	1.5
98.76701	0.9
99.04382	1.0
103.05433	24.8
105.04465	1.5
105.06994	12.9
106.04138	35.1
107.04323	1.0
107.04935	18.9
107.08566	1.4
108.44840	0.9
109.06487	3.6
109.10159	0.9
110.03608	2.0
111.04377	2.1
115.05431	6.3
117.07005	7.0
118.04110	5.0
119.04894	4.2
119.08526	7.2
120.08031	0.8
121.06467	38.1
121.10077	1.1
122.03602	1.3
123.04387	6.1
123.08027	1.6
123.11546	0.9
124.05140	4.4
124.99998	0.9
125.05936	15.6
130.04131	1.0
131.04890	23.4
131.08530	0.9
132.05629	1.7
133.02817	1.4
133.06467	14.0
133.07343	1.5
133.08540	6.9
133.10017	1.0
134.03575	5.6
135.04364	3.4
135.07991	5.6
137.05943	11.6
137.09569	1.2
138.06697	1.5
139.07463	4.0
143.04907	1.9
144.05623	1.1
145.02849	1.7
145.06415	9.5
145.10094	1.9
147.04370	4.3
147.07991	1.9
147.11601	1.1
148.05142	15.3
149.05930	65.7
149.09525	0.9
151.03822	4.2
151.07478	4.3
152.04665	1.6
153.05396	6.3
153.09055	14.8
157.06415	1.4
157.10062	1.3
159.04399	1.2
159.07994	4.1
160.05142	0.9
161.05910	14.1
163.03806	1.8
163.07486	24.7
165.05385	1.6
165.09036	1.0
166.06210	1.5
167.06972	75.4
171.06462	5.7
173.05927	7.6
175.07498	1.8
176.04596	2.0
177.05406	32.2
177.11093	1.0
181.04895	73.1
181.08488	21.5
184.07262	1.9
187.07478	4.4
189.05374	1.3
191.06960	68.3
192.07686	1.4
193.04962	1.3
193.08530	3.9
195.06384	2.0
201.05457	1.4
202.06313	1.1
203.06949	1.5
205.08426	3.3
207.08167	1.0
209.08015	100.0
217.08508	1.6
219.10088	5.4
233.08000	5.4
235.07497	2.7
235.09550	4.0
245.08015	1.0
263.09100	13.3
267.09943	1.4
271.09833	1.1
279.09937	1.0
295.09543	0.9
325.10617	2.1
327.12155	1.1
327.19998	5.5
328.61740	0.9
357.13168	3.7
359.14722	0.9
367.11655	1.1
385.12552	9.5
399.14276	1.3
417.15390	13.5
447.23102	1.2
465.24625	7.8
483.35107	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	661.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74578	0.3
52.88821	0.3
54.50721	0.4
55.57315	0.3
58.67844	0.3
64.32462	0.4
65.52422	0.3
85.89893	0.4
92.04690	0.4
103.79376	0.4
106.83908	0.4
142.49315	0.3
163.03816	1.6
180.06248	100.0
185.04158	0.4
342.11450	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01851	5.9
57.03433	0.6
65.03911	7.5
67.05479	3.5
68.99751	0.6
69.03402	1.2
71.29038	0.6
75.04471	4.8
77.03877	0.7
78.04683	4.0
79.05462	8.9
80.40618	0.5
81.03408	2.4
81.07016	0.8
85.02869	8.8
88.66927	0.7
89.03883	3.0
89.06006	0.9
91.05454	20.5
92.09295	1.3
93.03377	16.5
93.07005	9.6
95.04929	12.6
95.08572	1.1
97.06497	6.1
99.91236	0.6
103.05431	29.8
105.03383	1.4
105.04494	1.0
105.06989	13.9
106.04139	42.6
107.04926	11.3
109.02869	0.6
109.06492	1.4
110.03623	2.9
110.09689	0.6
111.04412	3.7
115.05437	7.3
117.03368	1.2
117.06968	9.1
118.04130	6.0
119.04897	3.6
119.08528	1.1
120.05620	1.0
121.02776	0.9
121.06467	46.2
122.07299	0.7
123.04398	9.1
123.07993	0.8
124.05151	4.2
125.05958	15.2
125.31628	0.7
125.32542	0.6
129.07001	1.0
129.96284	0.6
130.04100	1.0
131.04881	26.6
132.05637	2.9
133.02809	3.5
133.06451	12.5
134.03551	7.9
135.04384	2.7
135.08000	4.0
137.05962	8.3
138.03059	1.0
138.06763	0.8
139.07497	3.8
141.06940	0.6
142.02591	1.5
143.04869	1.2
144.05661	3.1
145.02785	3.0
145.06438	8.0
146.03596	0.6
147.04352	1.5
147.07965	3.1
148.05153	19.9
149.05943	66.3
151.03848	3.9
151.07492	4.4
152.04646	2.6
152.08290	1.1
153.05426	7.0
153.09056	14.6
157.06421	1.2
159.08057	1.6
160.05150	1.1
161.05937	13.7
162.06642	1.1
163.03842	3.3
163.07495	31.7
165.05421	1.6
166.06244	1.3
166.08755	0.8
167.06981	79.6
171.06471	3.4
172.05055	1.1
173.05913	7.6
174.06572	0.9
175.07422	4.7
176.04646	3.7
177.05417	33.1
177.09082	0.8
181.04901	75.0
181.08496	24.4
182.05197	1.1
185.05925	0.8
187.07533	2.7
189.09012	0.9
190.06232	2.4
191.06973	73.3
192.07669	1.5
193.04976	0.9
193.08546	3.3
195.06482	2.8
201.05501	1.3
203.07001	2.5
205.08540	4.1
207.06389	0.9
207.08122	1.8
207.09949	2.1
209.08029	100.0
210.08392	1.1
214.04091	0.7
217.08563	1.6
219.08170	0.8
219.10164	3.0
221.05956	0.8
221.07880	0.8
233.07959	4.7
235.07350	2.8
235.09599	3.0
247.07317	1.0
263.06885	0.8
263.09122	11.1
267.10074	2.6
294.09216	1.0
297.11115	1.5
307.09439	0.9
325.10834	1.5
327.12476	1.0
335.09079	1.1
339.12122	0.9
357.13199	4.0
359.14490	0.8
367.11349	0.8
369.13834	1.5
379.67487	0.7
385.12653	6.1
399.14349	1.1
417.15338	10.3
429.60651	0.7
507.19501	1.0
508.07791	0.9
560.84259	0.7
593.42572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79342	2.7
55.05499	3.8
57.07063	39.8
64.80695	3.3
67.05486	4.5
71.08611	36.9
73.06517	13.6
76.90884	3.1
79.05493	4.6
85.10166	24.1
87.04456	8.3
89.05997	100.0
91.90960	3.6
99.11700	3.9
133.08539	42.5
177.11179	16.4
229.21701	5.6
240.48628	3.9
273.24173	7.1
286.78204	4.1
489.56638	4.0
643.45862	5.2
660.48901	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	661.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81219	0.4
56.96532	2.5
57.03410	0.4
58.31618	0.3
64.32872	0.4
68.46195	0.4
69.03378	2.1
70.02885	0.6
81.03413	0.4
84.67538	0.4
85.02887	3.8
97.02847	1.0
98.97534	7.2
110.97511	0.6
116.98554	3.9
118.92067	0.4
119.01833	2.2
127.03838	1.8
128.98566	0.7
134.99596	2.0
135.04370	0.7
136.93042	9.8
136.94023	0.6
137.02859	0.4
143.00148	0.8
143.01901	0.5
145.06007	1.8
146.99570	2.9
147.04364	2.0
154.94107	36.2
156.03575	0.6
157.03424	0.7
158.99586	3.2
161.01155	2.7
161.02873	1.7
163.03851	3.4
163.41090	0.4
169.03383	0.4
170.99539	2.4
172.95163	97.1
174.84183	0.4
175.04462	0.6
177.00658	3.5
177.05402	0.5
180.06152	0.4
180.60617	0.4
181.51596	0.6
182.99648	0.6
189.00624	4.6
190.96211	58.5
192.04509	0.5
195.96788	0.9
196.95146	15.2
198.98500	0.8
200.04251	0.5
201.00674	5.7
205.05444	0.8
207.01633	0.5
208.95242	0.6
208.97226	0.8
214.96213	100.0
219.01724	4.8
223.06546	2.0
226.02469	0.5
226.96222	8.9
232.97263	33.0
237.02742	3.8
237.97797	2.0
238.96245	1.0
239.04372	0.9
243.01701	0.9
244.97241	22.5
245.05014	0.6
250.96170	4.2
256.97192	8.1
257.67990	0.5
261.02692	5.2
262.98312	3.4
268.97250	3.4
274.98285	8.2
279.03766	2.4
280.97375	1.9
286.98276	1.7
291.03851	0.5
295.05917	0.5
298.98309	10.0
304.03317	0.6
316.99310	34.7
335.00266	8.9
337.09567	2.3
363.10501	0.6
365.10260	0.8
479.04532	97.4
480.04907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
54.81111	0.7
55.01854	7.9
55.05495	23.7
57.03419	26.4
57.07055	1.4
59.04987	1.2
61.02903	5.7
65.03914	1.0
67.05482	41.8
69.03397	1.2
69.07052	15.0
71.01336	4.5
71.04968	5.7
73.02896	1.5
79.05463	48.2
79.63356	0.7
80.22051	0.7
81.03384	12.5
81.07027	27.9
83.01318	8.0
83.04947	16.9
83.08592	11.1
85.02880	6.8
85.06527	4.3
86.09683	1.6
91.03912	0.8
91.05446	21.0
92.09203	0.9
93.07014	60.8
95.04945	7.5
95.08575	11.7
97.02863	3.9
97.06485	14.9
97.10130	10.2
99.04430	3.0
99.08064	1.3
105.06998	9.5
107.04918	7.6
107.08559	42.6
109.06516	5.8
109.10126	6.3
111.04426	1.4
111.08069	3.7
116.98556	0.7
117.06960	11.7
119.08550	11.0
120.89198	0.7
121.06483	4.6
121.10104	13.4
123.07299	0.7
123.08028	6.8
124.99994	0.7
125.05955	1.1
125.09592	1.4
129.07040	0.8
130.07745	1.5
131.08522	3.2
133.10117	4.2
135.08038	1.7
135.11646	52.6
135.77422	0.7
137.09547	1.2
145.06474	1.5
145.10065	19.5
145.11072	1.1
147.08009	1.3
147.11751	0.8
153.12746	3.9
155.08473	1.0
163.11128	21.6
173.09575	3.7
181.12199	9.5
184.07355	5.2
191.10649	1.2
199.13202	1.5
209.11688	3.4
227.12769	1.4
255.15811	60.8
265.14233	1.1
283.15305	36.9
445.25479	3.7
463.26721	100.0
464.27417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52284	1.2
53.03920	1.2
55.01851	1.6
55.05491	12.5
57.03416	15.5
57.07041	1.6
61.02890	2.1
65.43643	1.2
67.05159	2.4
67.05483	47.7
69.07045	20.0
71.04967	2.6
79.05458	31.4
81.03374	1.9
81.06549	2.5
81.07025	69.5
83.04934	6.6
83.08578	10.1
85.02921	1.4
85.06519	5.0
91.05447	16.5
93.07008	49.9
95.04928	4.9
95.08562	14.6
97.06487	11.0
99.08039	1.5
105.06979	6.5
107.08569	26.6
109.06445	1.9
109.10133	5.1
111.08045	6.5
117.06969	5.4
121.10094	16.1
131.08522	10.1
133.10089	9.2
135.11667	6.6
147.11629	1.9
148.16580	1.3
149.13210	26.0
159.11671	10.0
177.12695	3.1
195.13734	5.9
233.98622	1.5
269.17389	48.6
363.40054	1.5
463.30423	100.0
621.46924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01637	1.3
55.01857	22.3
55.05497	21.2
56.96531	1.0
57.03417	25.5
57.07048	1.6
59.04974	1.8
60.08134	6.2
61.02906	16.2
65.03914	1.6
67.05479	26.5
69.03389	5.4
69.07037	6.0
71.04958	3.2
71.07341	2.7
73.02875	2.3
79.05004	2.3
79.05460	64.7
81.03381	22.8
81.07024	28.9
83.01311	22.6
83.04947	17.0
83.08586	14.8
83.51612	1.3
85.02884	18.7
85.85281	1.1
86.09676	37.0
91.03917	5.1
91.05442	76.1
93.07009	54.8
95.04935	9.7
95.08562	11.9
97.02848	9.6
97.06485	9.1
98.98430	4.9
99.04408	2.6
103.05446	1.9
104.10670	2.0
105.06987	17.8
107.04925	25.0
107.08559	43.8
109.06463	12.4
109.10136	2.5
111.04401	6.6
111.08057	2.3
115.05409	6.3
117.06979	62.7
119.08550	16.1
121.06445	6.7
121.10065	10.4
123.08023	9.6
124.99954	25.9
125.05952	1.3
125.09491	1.3
129.05424	1.5
129.06949	2.2
130.07750	1.8
131.08553	5.3
133.10066	2.8
135.08012	68.3
135.11598	12.7
145.10098	20.5
147.08012	1.5
153.05429	2.6
153.09042	2.4
153.12709	2.1
155.08572	1.9
163.07510	9.1
163.11116	29.1
181.08504	2.5
181.12143	2.2
184.07277	76.8
191.10550	2.1
199.09607	1.7
209.11620	6.3
227.12811	2.4
255.12186	68.1
258.91461	1.2
275.90936	1.5
280.65134	1.4
283.15305	100.0
287.05383	16.0
288.05750	8.3
379.43362	1.5
463.23120	89.2
660.35022	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	660.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22648	1.5
54.17887	1.3
55.01819	1.6
56.05001	2.4
59.18492	1.8
60.04491	2.2
61.46197	1.6
69.85233	1.4
70.02917	39.6
74.02381	4.5
76.03952	13.5
78.22902	2.3
79.06598	1.7
82.06496	2.0
83.04971	2.7
83.06052	3.1
84.04485	15.0
88.03969	2.7
95.72511	1.7
99.05516	8.4
107.06004	2.0
109.07616	2.1
111.04401	2.7
116.03412	7.9
127.05015	2.7
129.06563	3.3
130.04941	8.1
137.06993	2.9
145.04898	3.4
145.06047	100.0
149.00516	11.0
153.06468	7.2
155.08083	3.8
160.00569	2.4
161.71613	1.9
163.02124	7.0
163.03831	10.5
165.00003	2.3
179.01521	16.8
194.02644	11.4
195.01035	28.2
199.07104	9.1
203.03343	2.0
207.01057	14.2
211.07106	12.8
219.01006	3.3
236.03769	4.4
237.02126	2.2
264.03107	25.9
274.10138	4.0
309.67203	2.3
373.94263	2.2
393.07187	4.6
468.10562	3.5
531.12537	7.2
585.13214	10.1
598.66602	1.8
660.16632	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	658.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	9.3
58.06585	2.8
65.03910	0.6
68.55170	0.5
70.06561	22.9
71.08601	4.0
77.17563	0.5
83.08618	0.6
85.10150	0.7
88.07598	23.0
92.08681	2.1
102.09141	20.4
105.06889	0.7
122.80483	0.6
133.10049	0.5
145.13416	0.6
147.04424	0.8
149.02292	49.4
159.11472	0.6
175.03804	1.4
177.05385	0.8
191.07062	0.7
193.04901	60.4
207.45236	0.6
209.79643	0.6
219.06549	1.0
225.05463	1.1
237.07480	14.2
256.26248	49.0
269.04565	1.2
297.03891	3.6
300.28540	0.7
313.07022	3.0
341.06461	12.1
359.07510	7.9
385.09030	20.6
385.13962	1.0
429.11633	32.2
495.72440	0.6
640.34570	0.9
658.35651	100.0
659.36798	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
54.04976	1.7
55.01860	2.5
55.05502	16.0
57.03415	9.8
65.03919	2.6
67.05483	46.9
69.07046	12.2
71.04969	2.8
73.02884	2.3
79.05458	65.6
81.03398	9.5
81.07030	34.8
83.04951	14.5
83.08582	3.3
83.36292	2.0
91.05442	32.7
93.07013	67.8
95.04926	12.2
95.08583	17.1
97.06505	9.2
97.10109	5.2
101.09911	2.2
105.07010	25.0
107.04927	5.2
107.08560	26.3
109.06500	4.7
109.10111	5.2
117.06992	9.9
119.08532	19.9
121.10104	8.4
129.06958	8.4
133.10110	10.7
135.07988	2.2
135.11649	23.0
143.08522	8.8
145.10107	10.0
147.11671	17.9
161.13106	2.4
171.11635	10.1
207.13718	8.8
255.15831	20.0
281.17438	13.3
413.05716	2.2
420.74820	2.6
461.22467	4.0
461.28818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.0
53.03925	6.6
55.01849	6.0
55.05495	29.7
56.47390	1.2
57.03419	18.9
61.02916	1.7
65.03943	1.6
65.97215	1.1
67.05481	31.5
67.12742	1.2
69.03400	17.1
69.07030	13.0
71.04957	7.5
79.05460	30.6
81.03386	100.0
81.07026	38.7
83.04942	27.7
83.08594	30.6
83.34957	1.3
85.02869	31.3
85.06497	2.4
91.05446	41.5
92.55674	1.4
93.07004	26.1
95.04931	35.0
95.08564	17.2
97.02843	16.0
97.06508	6.2
97.10136	9.1
98.01635	1.3
99.04417	2.3
105.06992	29.0
105.67806	1.4
107.04918	13.0
107.08564	21.2
108.08125	1.9
109.02845	6.7
109.06488	7.2
109.10116	8.9
110.48666	1.5
111.04409	7.2
111.08038	12.5
115.03822	1.5
117.06988	2.9
119.04929	1.7
119.08532	26.8
121.06454	5.3
121.10121	13.0
123.04361	2.8
123.07989	3.3
123.11700	3.0
125.09586	5.4
127.03858	6.2
129.06970	15.5
129.09067	1.8
131.04848	1.4
131.08517	17.5
133.06474	5.3
133.10085	14.1
135.08032	2.0
135.11638	2.3
137.05949	5.6
137.09535	2.4
142.07727	5.2
145.06462	2.3
145.10078	5.4
147.08017	3.4
147.11642	18.9
149.09570	7.1
151.11119	1.5
157.10097	17.7
163.11119	5.5
165.09032	6.5
165.12756	6.0
173.05951	1.6
175.11140	16.8
191.10480	1.5
193.09416	1.5
193.12187	40.5
199.10980	1.7
211.11388	1.4
211.13211	38.5
227.12743	2.3
267.15784	16.6
285.16882	16.2
287.05554	3.3
385.23355	2.6
426.56772	1.4
429.21085	8.6
433.26318	1.6
459.27231	16.0
477.28412	19.5
495.29282	23.1
621.31970	5.4
639.33490	28.5
657.34198	2.5
686.57397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01856	2.5
55.05501	31.9
57.03412	19.6
60.87069	2.1
67.05478	50.4
69.03404	17.9
69.07036	21.7
71.04944	5.6
71.82224	2.5
74.15690	2.1
74.84903	2.3
79.05455	35.5
81.03385	100.0
81.07024	99.7
83.04942	33.0
83.08591	30.3
85.02872	23.0
85.06506	10.0
91.05438	54.7
93.07004	36.1
95.04932	26.3
95.08575	29.4
97.02872	19.0
97.06483	13.3
97.10146	4.7
99.04418	3.2
99.08088	3.0
105.06995	48.0
107.04915	5.8
107.08564	21.2
109.02834	9.5
109.06483	5.9
109.10113	10.9
111.04386	10.7
111.08049	10.1
113.05999	3.7
114.82590	2.1
117.06985	3.7
119.08539	52.7
120.95861	2.3
121.06412	3.3
121.10108	33.8
123.08025	4.7
123.11671	26.8
127.03878	9.1
129.05447	3.3
129.06947	10.3
131.08519	13.3
133.10066	11.7
135.11629	2.9
137.09581	4.4
145.10078	3.6
147.04326	3.0
147.11636	69.7
149.09520	5.3
152.76587	2.5
157.10030	20.6
159.11763	2.8
163.11230	2.7
165.12679	24.3
175.11086	17.7
193.12175	51.8
198.05563	3.2
211.13251	35.1
267.15805	62.7
285.16870	50.6
416.53766	2.5
429.21060	27.0
477.28354	23.7
478.96445	2.8
495.29395	44.3
566.89844	2.9
639.33618	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	656.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92017	0.7
64.94837	0.7
65.77393	0.6
70.06566	64.9
85.02891	0.7
103.33074	0.7
105.58442	0.6
112.07573	78.9
116.07050	18.2
117.03320	0.8
119.67483	0.7
135.04369	3.1
140.07002	12.1
145.02789	1.7
158.08078	100.0
163.03850	22.6
165.32457	0.9
228.99477	0.7
231.44089	0.8
320.13278	1.1
392.02719	1.1
540.71820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.9
53.03935	8.2
55.01862	13.3
55.05244	1.3
55.05497	34.2
57.03420	22.4
59.04982	2.2
60.29379	0.7
65.03930	1.2
67.05486	33.4
69.03406	19.9
69.07048	12.2
69.86433	0.9
71.01327	1.9
71.04963	9.2
73.02870	2.0
76.71413	0.8
79.05463	43.2
81.03390	100.0
81.06551	1.4
81.07030	41.0
82.03706	1.0
82.07351	0.8
83.01318	12.5
83.04953	44.5
83.08125	1.9
83.08595	35.1
85.02879	24.4
85.06509	3.8
87.04476	0.8
91.05448	36.1
93.07011	41.5
94.07381	1.0
95.04935	31.9
95.08572	17.2
97.02859	18.7
97.06493	10.1
97.10146	7.3
99.04440	7.0
99.08041	1.6
101.02325	1.5
101.52285	0.8
103.05447	1.6
105.06998	33.9
107.04926	18.6
107.08556	21.1
109.02861	14.2
109.06492	12.5
109.10159	7.1
111.04404	16.0
111.08053	15.6
113.05937	1.2
115.05450	1.6
117.06986	12.6
119.04939	1.2
119.08535	30.1
121.06483	6.7
121.10100	18.8
122.10508	1.3
123.04408	1.3
123.08012	8.6
123.11665	1.5
125.05951	1.7
125.09604	6.1
127.03876	11.4
128.06177	1.3
129.05482	1.2
129.06973	13.4
130.07741	1.2
131.04810	1.1
131.08533	13.5
133.06479	3.9
133.10080	14.7
135.08023	3.6
135.11644	14.4
137.09604	3.6
142.07721	1.3
143.08537	2.2
145.06462	1.0
145.10088	22.4
147.08018	4.8
147.11644	15.6
149.09575	6.5
153.12668	8.3
155.08496	3.5
157.10057	11.9
163.11136	25.1
165.09163	1.0
165.12720	3.8
171.11652	1.1
173.09573	4.4
175.11107	14.3
181.12210	6.7
189.11182	1.4
191.10574	5.9
193.12173	33.0
209.11653	4.2
211.13211	35.4
222.14742	1.1
227.12708	8.2
241.50394	0.9
249.14853	1.4
267.15851	10.0
283.15311	29.8
285.16870	8.6
289.14026	1.3
319.15390	1.1
337.16266	1.7
353.15717	1.3
355.17368	2.1
383.22153	3.7
427.19489	2.3
429.21030	12.1
457.25674	1.9
475.26794	15.2
493.27802	67.7
494.28107	1.5
619.31219	3.0
637.22260	1.8
637.31909	30.9
638.32422	1.9
655.33289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
57.07057	0.8
58.05349	0.3
65.99410	0.3
65.99800	0.3
81.12840	0.3
82.07440	0.3
83.04953	3.7
91.05444	0.4
108.19821	0.3
129.06990	0.5
147.07941	0.4
147.11633	0.4
149.70686	0.4
175.01514	2.7
181.01100	0.4
181.02406	2.6
199.03552	0.4
208.88316	0.4
227.04681	1.4
283.10895	0.4
313.11847	1.5
317.50464	0.4
369.18414	0.5
378.18320	0.4
391.19247	0.9
393.20859	0.7
405.16855	2.1
405.21436	0.7
406.21957	0.4
407.22379	3.8
409.70612	0.4
419.18137	3.5
420.19241	1.6
421.19827	0.7
432.19342	0.6
433.20386	5.5
434.21173	5.1
435.21625	10.5
436.22269	0.7
447.17676	2.0
447.22400	1.5
448.18030	0.6
449.19595	2.1
461.18768	0.5
461.24069	0.7
462.20197	5.9
463.21078	5.5
475.21207	2.3
477.22363	1.1
478.23978	0.4
479.19836	0.9
481.25955	0.5
489.22696	2.1
493.22324	1.6
495.23792	1.9
507.20572	0.5
508.24377	2.1
509.25247	2.3
517.21936	0.5
521.25397	13.1
535.26300	0.5
543.18433	0.7
549.24841	18.8
553.24023	0.8
563.26471	3.1
577.24261	0.5
581.27527	3.2
595.29053	13.4
599.25073	1.6
607.29077	0.4
609.26880	12.5
623.28583	0.8
642.54572	0.4
655.30945	100.0
656.31390	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2746
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
51.80462	0.4
53.29797	0.3
54.81654	0.4
57.07057	2.0
57.50816	0.3
58.94926	0.3
62.62284	0.3
67.05491	0.6
71.08620	0.6
74.19881	0.3
84.10109	0.4
85.10179	0.6
91.03979	0.7
95.08536	0.5
103.18216	0.5
121.10126	0.4
177.69180	0.5
204.06648	0.6
269.76547	0.5
313.27448	2.1
328.14508	0.5
373.40915	0.4
377.17596	0.9
389.17560	0.7
390.18478	0.6
391.19357	2.4
392.19940	2.0
393.20782	0.6
399.37460	0.5
404.16248	0.7
405.16965	3.2
405.20956	2.1
407.22171	4.7
418.17722	1.9
419.18283	7.0
420.19357	1.7
421.20120	2.2
421.46426	0.5
432.19342	0.7
433.20267	12.7
434.20889	6.1
435.21768	7.6
447.17139	0.9
447.22324	1.7
449.19696	2.2
461.19354	1.0
462.20432	2.9
463.21295	3.6
465.19070	0.8
475.21838	1.3
479.20343	0.6
491.20718	0.9
493.22501	2.3
505.22171	0.8
508.20703	0.5
520.24396	0.8
521.25623	9.1
549.24817	12.9
565.24365	2.4
577.24225	10.0
580.26459	2.2
581.27765	1.8
595.25293	5.7
609.26971	3.3
637.26312	5.8
655.27417	100.0
656.27527	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	655.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85890	1.0
55.42187	1.0
59.32842	1.0
63.11105	1.1
64.32415	1.0
70.84996	1.1
71.45354	1.1
75.04453	24.9
75.36218	1.2
154.84956	1.2
176.23898	1.4
289.19421	1.3
407.22003	2.7
409.30847	1.4
433.20355	4.7
435.21619	5.2
461.19263	12.5
462.20322	5.9
463.21304	2.4
475.20920	1.6
507.24652	1.5
521.25372	5.7
539.24054	1.7
548.24567	1.5
549.24744	14.6
595.29114	12.1
609.26953	2.6
623.28900	1.9
655.31042	100.0
656.31409	1.8
669.11298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95244	1.1
53.03918	2.3
54.81420	1.1
55.01855	1.7
57.03398	1.9
58.70115	1.1
61.02898	6.7
69.03409	21.9
71.04953	2.1
73.02881	6.5
79.05440	2.4
81.03377	16.4
81.07009	3.0
83.04999	1.6
85.02873	60.7
87.04427	14.4
91.03899	1.5
91.05449	16.0
93.07021	1.5
95.04924	2.3
95.08587	1.4
97.02853	19.8
99.04433	2.3
103.05408	2.8
105.07011	5.2
107.04911	5.4
107.08561	2.9
109.02861	10.0
109.06496	2.2
115.03896	32.8
115.04665	2.4
115.05402	1.9
117.06974	2.9
119.04882	11.7
121.06432	5.5
122.03619	1.6
123.08012	1.5
123.54982	1.3
127.03863	22.4
129.06940	9.5
131.04904	8.7
133.04938	1.8
133.06444	1.4
135.04343	1.7
135.08022	4.7
137.05934	91.0
143.04825	1.2
145.04933	14.4
145.06430	2.3
145.10152	1.8
149.05963	9.5
150.06680	1.8
151.03900	2.7
151.07489	76.2
157.06395	10.2
159.04425	1.3
159.08008	1.5
159.11644	1.7
161.05894	13.4
161.09550	2.3
163.03864	9.0
163.07477	24.3
165.06961	2.6
165.09103	1.7
167.07162	2.0
167.08441	10.5
174.06650	2.1
175.07468	14.0
177.09044	16.2
187.07489	1.6
189.09030	24.4
193.06427	2.9
193.10107	6.0
195.08017	23.7
197.09682	1.6
207.10049	2.1
210.06776	2.1
212.08295	2.6
221.05898	7.1
221.09550	7.1
221.11565	2.2
223.07426	9.6
225.09088	7.8
227.07024	1.9
227.10574	26.1
231.10187	1.9
238.06044	1.6
239.06921	1.5
240.07672	1.8
241.12146	1.8
247.07939	1.8
249.08989	6.5
252.07776	2.0
253.08531	8.3
253.12186	10.4
255.10046	26.0
259.07974	5.2
265.08511	1.9
267.09982	6.1
269.07983	5.4
269.11279	1.7
270.08932	1.4
272.10291	5.9
277.08875	1.8
281.11563	2.1
285.11194	12.9
287.12662	35.2
297.11197	1.6
299.12735	5.2
311.12628	6.0
313.14240	19.0
331.15277	100.0
341.13675	1.7
343.15204	12.9
367.15378	4.8
379.15576	1.4
397.16382	1.5
421.16238	6.5
439.17499	2.3
589.22333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70506	0.8
54.81076	1.0
55.05489	2.2
57.07053	1.2
64.74646	0.9
67.05479	5.1
69.07035	4.8
77.01638	0.9
79.05458	2.4
81.07021	9.8
83.08589	2.4
91.05450	7.0
93.07022	10.1
95.04939	15.0
95.08575	14.5
105.07007	7.0
107.04939	1.5
107.08556	13.6
107.69372	1.1
109.10123	8.7
117.06924	1.1
119.04900	6.8
119.08529	15.7
121.06451	5.0
121.10080	13.8
123.04380	100.0
123.11668	7.1
125.05861	1.1
131.08551	2.0
133.10095	10.9
135.10719	1.3
135.11598	10.2
143.08511	4.3
145.10081	9.1
147.04359	33.8
147.11649	9.7
149.13211	2.2
159.11647	9.3
161.13211	7.2
163.14764	2.5
165.05421	30.1
173.13232	4.4
175.14763	4.5
177.16304	5.5
187.14778	5.7
189.16312	8.2
191.17827	1.3
199.14752	1.8
201.16319	10.4
203.17979	7.6
205.15825	1.8
206.95844	1.2
213.16331	4.9
215.17863	19.3
219.17474	1.3
247.16713	1.3
261.18433	6.8
394.28467	1.4
407.32849	5.6
409.34341	4.5
411.32248	5.0
435.32541	1.5
437.33936	20.6
601.10730	1.3
655.27161	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	653.3518
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03928	7.5
55.01858	7.6
55.05489	39.3
57.03415	21.4
61.69142	3.9
64.86154	4.5
67.05476	77.3
69.03399	26.2
69.07035	24.5
71.04965	6.1
74.78215	4.4
79.05466	95.9
80.26160	4.4
81.03390	100.0
81.07020	78.5
83.04956	27.5
83.08591	32.7
85.02864	18.9
91.05448	77.3
93.06993	79.0
95.04929	47.5
95.08557	57.4
97.02855	19.2
97.06508	7.9
97.10130	8.0
99.08070	26.2
105.06992	69.7
107.04926	10.9
107.08572	56.4
109.02853	9.1
109.06477	25.8
109.10132	21.0
111.04424	4.9
117.07001	9.3
119.08539	67.2
121.10089	28.2
127.03813	5.5
129.06949	28.7
131.08530	28.9
131.81728	4.7
133.06433	5.1
133.10081	26.6
135.11650	6.5
143.08481	7.5
145.10097	26.1
147.04333	5.7
147.08075	4.3
147.11664	62.9
155.08487	5.3
157.10080	26.5
159.11618	8.3
161.13170	18.9
163.11075	5.4
171.11646	23.1
173.13196	5.4
175.11136	10.3
177.16354	9.4
183.81653	5.0
187.14777	10.6
189.12840	5.9
189.16354	23.9
193.12193	23.5
201.16383	5.1
202.05463	4.6
203.14290	4.8
203.17850	10.8
205.15848	23.1
207.13724	11.0
211.13321	8.9
267.15863	23.6
281.17407	44.5
409.34772	19.1
410.34912	5.4
429.20975	5.7
438.30591	9.8
455.31201	6.3
473.28668	83.2
491.29752	20.0
635.33807	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	654.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01855	10.7
55.05489	1.4
57.03409	6.4
60.04483	1.1
61.02890	5.4
68.99757	1.6
69.03404	23.2
71.01308	0.9
71.04948	4.1
73.02876	7.1
79.05438	4.2
81.02953	1.7
81.03390	32.5
81.06989	1.1
84.00049	1.1
85.02375	1.9
85.02877	50.0
87.00798	25.8
87.04432	1.1
91.03899	1.5
91.05432	5.7
93.07040	1.3
95.04953	2.2
97.02863	26.3
99.04413	11.1
103.05436	3.6
105.01834	11.4
105.06972	3.6
107.04922	10.5
108.04455	2.0
108.14394	0.9
109.02847	19.6
111.04390	1.5
115.05416	10.4
117.01827	3.8
117.06977	14.5
121.06413	1.0
122.03653	1.1
123.04328	1.8
125.05940	3.8
126.05399	1.0
127.03867	28.5
128.06189	1.9
129.01846	1.6
129.06955	10.2
131.04886	4.6
131.08525	3.7
133.06436	1.2
137.05934	100.0
141.06842	1.0
143.04909	10.2
144.05638	4.7
145.04942	6.4
145.06439	35.4
147.07932	1.2
149.05896	1.2
151.03845	1.8
151.07509	1.0
153.05446	1.7
155.05995	4.4
156.05646	5.5
157.06404	8.4
159.02847	11.0
159.07976	7.0
160.05124	14.6
161.05927	5.7
163.03798	1.8
163.07486	1.9
167.06979	36.1
172.05098	2.0
173.05913	46.2
174.06583	4.8
175.07480	97.6
176.07776	1.5
177.05432	1.8
181.06361	1.4
187.07478	37.9
189.09048	6.4
190.06194	22.7
191.06842	1.5
193.08519	1.8
202.06178	5.0
203.06958	5.6
205.08537	57.2
213.03951	1.2
217.08527	36.0
218.07018	1.2
219.08136	1.2
219.10141	2.2
231.04837	3.4
233.09625	2.3
235.07343	1.6
235.09579	27.0
239.06940	2.3
241.08507	4.7
247.09483	6.8
247.59344	1.0
249.09166	3.3
261.08966	6.1
263.06937	1.5
265.10620	25.7
269.07993	1.6
277.08505	4.9
278.09204	3.8
285.07306	6.7
289.08887	1.1
293.11566	2.3
300.09747	5.8
301.10632	4.0
306.08890	1.5
309.11002	2.3
321.11060	5.6
326.11179	1.4
338.11243	1.4
339.12021	1.4
341.13766	5.6
353.13766	12.2
371.14719	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	653.2958
Annotation	Haplophytine
Peak:m/z	Relative Intensity
56.00681	12.7
58.92226	12.0
60.25424	13.0
60.45313	12.2
62.93988	16.1
64.64239	15.0
94.63722	16.9
107.86370	15.1
114.10699	14.7
278.53870	14.5
290.09158	16.0
386.99371	19.0
465.22574	64.3
503.24060	26.4
535.26990	60.6
579.25104	25.1
621.26837	29.8
653.29352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2961
Annotation	Haplophytine
Peak:m/z	Relative Intensity
54.13280	4.6
62.79284	4.7
66.62598	5.3
73.62688	4.9
83.53716	4.7
84.70449	5.6
122.16489	5.2
166.66676	5.9
185.12740	5.8
190.25853	5.2
197.52571	5.5
333.97748	6.8
405.20581	9.7
478.23389	6.0
479.24457	53.0
501.22824	11.2
507.27585	10.9
531.19678	5.9
551.26465	31.7
566.28760	67.1
621.28107	8.2
653.29462	100.0
667.14313	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	653.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.1
54.80843	2.1
55.01857	24.8
55.05503	41.8
57.03432	25.9
59.41826	2.3
61.02906	3.5
67.05482	36.5
69.03402	30.8
69.07024	10.1
71.01288	2.3
71.04961	15.9
79.05467	51.9
81.03390	100.0
81.07030	46.7
83.01312	13.9
83.04956	50.2
83.08588	22.3
85.02872	18.5
85.06509	3.0
87.04446	2.9
91.05441	32.3
93.07013	68.7
95.04927	21.8
95.08567	26.1
97.02857	33.6
97.06491	18.4
97.10144	11.1
99.04424	15.8
105.06994	20.5
107.04929	21.4
107.08566	39.2
109.02866	22.8
109.06456	11.6
109.10110	11.1
111.04411	27.5
111.08062	9.9
117.06982	23.4
119.08534	21.7
121.06462	5.6
121.10106	23.4
123.04391	4.7
123.08032	14.9
125.05933	3.4
125.09602	2.7
127.03886	9.0
129.06952	3.1
131.08533	13.3
131.31035	2.1
133.10095	12.0
135.07942	3.0
135.11652	31.3
137.05872	2.7
137.09558	3.2
145.10074	24.6
147.04384	2.8
147.08051	2.6
153.12703	25.1
155.08516	2.7
157.73376	2.5
163.11140	45.7
173.09586	5.2
181.12135	22.0
191.10626	14.9
209.11687	9.7
227.12733	29.3
283.15332	71.4
287.17319	2.8
353.15891	9.0
394.59372	2.3
427.19485	22.6
491.26495	19.2
509.26901	5.4
635.30499	48.3
653.30914	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	653.2065
Annotation	Nevadensin 7-rutinoside
Peak:m/z	Relative Intensity
53.03926	0.2
55.01862	0.2
55.05486	0.1
57.03192	0.1
57.03424	2.2
61.02900	0.5
65.82143	0.1
67.05473	0.2
69.03407	1.3
69.07014	0.1
71.04967	8.6
72.08110	0.1
72.71909	0.1
73.02894	0.2
75.04430	0.5
81.03391	0.6
81.07011	0.2
82.77793	0.1
83.04951	0.5
85.02880	11.5
87.04443	0.2
91.05466	0.3
92.09353	0.2
93.06990	0.1
95.04935	0.3
95.08559	0.2
97.02860	1.2
99.04448	0.2
105.06992	0.2
107.04903	0.2
107.08592	0.1
109.02853	0.5
111.04436	0.2
121.06445	0.2
121.83913	0.1
123.04358	0.2
127.03852	0.3
129.05446	1.2
129.07030	0.1
133.10143	0.2
134.03584	0.2
135.04410	0.2
138.06865	0.1
141.15514	0.1
145.10089	0.1
146.03593	0.7
147.06575	0.2
149.09532	0.1
151.03888	0.6
151.07481	0.5
153.05420	3.2
162.03108	0.2
163.03860	0.5
165.05424	1.2
167.03342	2.8
167.99393	0.1
179.03282	1.1
197.04402	0.2
208.03600	0.8
227.06995	0.2
244.07228	0.2
255.06465	0.2
256.07181	0.3
263.68777	0.1
271.06009	0.3
272.06567	0.2
273.07452	0.2
283.05975	0.8
284.06766	1.2
285.07480	1.6
286.07977	0.2
287.05438	0.6
289.10550	0.2
300.06189	0.5
301.06967	6.5
302.07751	0.8
311.05444	0.8
312.06171	2.2
313.06970	2.9
314.04309	0.1
314.07745	1.1
315.04883	1.4
316.05664	1.0
316.09198	0.2
329.06448	22.6
330.07208	3.6
345.09583	100.0
346.09973	2.0
634.99902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2592
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
66.24794	0.9
67.26497	1.5
92.08723	2.5
92.63747	1.2
133.53247	1.2
184.48595	1.5
185.46295	1.2
209.10690	1.5
220.09685	1.2
227.68150	1.4
340.14423	1.6
363.15915	2.2
376.16687	1.7
377.17578	8.7
378.18216	2.6
389.17487	1.9
390.18317	2.7
391.19046	12.2
392.19763	5.1
393.20679	7.1
403.19232	2.1
404.20087	1.6
405.20795	11.5
406.21481	2.7
407.22250	13.5
415.19223	1.6
419.17761	4.3
419.22238	6.1
421.20459	8.4
422.17572	1.5
429.21231	1.4
431.18518	2.4
433.20126	2.5
434.20999	5.3
435.21826	19.7
436.22461	2.5
437.19266	2.4
447.21655	7.0
449.19510	1.5
451.21185	7.0
459.17627	1.7
461.23431	4.7
462.24170	1.4
464.21448	1.5
465.19000	12.4
466.19736	4.3
473.19806	2.3
475.20932	1.9
479.20508	26.7
480.21436	2.0
489.23129	2.3
501.19003	4.5
502.19617	1.2
505.18167	8.1
515.20355	7.7
516.21436	2.3
517.22266	37.9
518.22827	1.9
519.23694	1.7
521.25159	9.7
522.25818	4.8
537.24707	5.8
538.24683	1.6
547.23395	2.5
549.24744	37.3
551.22699	10.6
565.24054	8.1
566.24963	29.0
575.23206	12.2
576.22974	2.3
593.23767	15.0
594.24316	1.5
607.25610	5.1
609.27002	10.9
625.26520	1.5
635.14240	2.1
635.24774	91.4
636.24854	5.3
653.25787	100.0
654.26184	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	652.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91892	0.8
53.03909	0.9
54.80633	0.8
55.05497	6.9
56.18633	0.7
57.03417	3.9
57.07055	1.9
60.90263	0.8
61.02888	4.1
66.16927	0.8
67.05481	10.1
67.22198	0.9
69.03399	6.3
69.07046	9.9
71.04953	1.5
74.41248	0.8
76.37310	0.8
79.05457	8.4
81.03371	5.8
81.07025	19.6
83.04967	1.6
83.08598	6.9
85.02374	1.5
85.02872	22.8
91.03918	1.3
91.05437	8.4
93.07003	20.4
95.04933	1.6
95.08564	43.5
97.02850	5.4
97.06515	1.0
97.10137	2.0
103.05627	0.8
105.06993	25.2
107.04968	1.2
107.08558	45.6
108.08854	1.0
109.02860	1.4
109.10121	27.9
111.08005	1.0
117.07007	1.9
119.08538	37.9
121.10098	32.7
123.08000	2.3
123.11665	6.2
127.03902	3.1
131.08508	7.9
133.10074	37.3
135.07964	1.4
135.11638	20.7
137.13199	1.6
143.08537	2.2
145.04922	2.2
145.10077	17.3
147.11630	36.8
149.09579	1.3
149.13219	20.3
151.11131	1.1
153.09114	1.1
157.10052	2.0
159.11617	13.9
161.13184	19.6
163.11082	11.4
163.14742	18.6
171.11617	2.3
173.13182	6.2
175.14752	20.9
177.12727	1.1
177.16310	25.3
180.08603	4.1
185.13187	1.5
187.14737	17.0
189.16304	62.4
191.17847	12.9
201.16347	14.8
203.17880	85.3
204.32123	1.1
205.15816	44.0
205.19464	4.1
207.17401	24.3
213.16338	1.3
215.17905	6.2
217.19379	3.4
219.17345	4.4
221.18968	1.2
227.18063	1.4
229.19472	1.6
231.17413	1.9
244.20712	1.0
249.18304	9.1
391.33429	6.4
409.34494	100.0
410.35141	1.4
411.36545	1.2
427.35529	7.3
437.34058	19.6
455.35110	10.0
473.36194	1.7
490.28903	1.1
652.29828	3.6
661.09241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	3.3
55.05491	7.6
55.31136	3.1
56.76816	3.5
57.03426	5.9
60.14275	3.0
67.05480	29.3
68.49756	3.3
69.03403	7.0
69.07032	23.6
79.05460	24.6
81.03355	6.3
81.07021	46.1
83.04960	45.4
83.08595	8.1
85.02879	16.7
91.05452	38.6
93.07017	56.9
95.04928	17.2
95.08573	77.5
97.06445	3.9
97.10149	3.8
105.07004	60.3
107.08557	100.0
109.06492	4.1
109.10128	49.3
111.08080	6.9
117.06980	7.0
118.59689	4.0
119.08538	87.1
121.10113	52.0
123.08006	15.8
123.11671	20.2
125.09579	22.6
129.07011	3.7
131.08508	27.0
133.10089	53.7
135.11662	26.4
137.09557	5.0
143.08505	7.3
145.10083	54.2
147.04395	7.3
147.11638	34.5
149.13187	9.2
157.10098	18.2
159.11638	49.8
161.13206	29.2
163.14789	8.8
171.11601	13.3
173.13179	26.4
175.14772	24.0
177.16307	18.6
185.13170	7.8
187.14746	37.4
189.16347	51.8
191.17700	4.4
197.13237	3.7
199.14786	8.3
201.12691	4.1
201.16324	71.2
203.17915	15.7
205.15848	5.1
213.16301	27.0
215.17892	34.3
217.15823	4.5
219.17427	12.8
227.17845	6.4
231.17300	3.8
235.16690	4.7
241.19395	6.1
247.16901	6.4
261.18289	7.4
338.96420	3.7
349.28915	4.9
357.28159	3.7
389.31900	7.2
395.29355	6.1
407.32941	37.7
435.32474	17.9
442.44611	4.1
443.34030	4.8
453.33627	61.3
481.47913	4.1
615.38348	5.2
651.29608	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	651.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.2
57.07067	3.7
64.45949	0.9
67.05477	8.0
69.07038	7.5
71.19278	1.1
72.38176	0.9
73.27493	1.0
75.95889	0.8
76.56211	0.9
79.05467	7.6
81.07024	15.1
83.08591	8.2
89.03867	4.9
91.05451	9.5
93.07000	17.0
95.04914	1.7
95.08567	27.8
97.06488	1.3
99.08025	1.8
105.06991	20.3
107.04931	2.4
107.08563	29.5
109.10132	15.3
116.38882	0.9
117.03339	10.6
117.06987	2.3
118.25797	1.0
119.04882	1.7
119.08533	39.3
121.10098	22.1
123.07972	1.8
123.11657	5.9
129.06958	1.5
131.08519	13.7
133.10072	29.0
135.04358	27.2
135.11632	12.9
137.13181	5.7
140.72842	0.9
142.07745	1.8
143.08537	8.6
145.02821	17.9
145.10080	26.7
147.04367	9.1
147.11627	19.1
149.13164	9.5
151.07491	1.0
151.11194	1.1
156.09306	1.5
157.10043	6.0
159.11603	16.9
161.13208	9.7
163.03836	100.0
163.07518	1.7
163.11205	1.1
163.14719	7.1
169.10063	1.7
171.11598	6.5
173.13197	18.3
175.14783	15.2
177.16371	6.0
177.48668	1.0
181.04930	4.7
183.11655	4.5
184.12346	1.3
185.13182	13.4
187.14745	22.8
189.16251	9.0
191.17880	1.3
197.13206	3.9
199.14810	9.9
201.16301	19.4
203.14204	10.4
203.17900	6.7
205.15762	6.3
207.17278	1.8
211.14771	4.4
213.16347	8.4
215.17813	2.5
223.14777	1.9
225.16420	2.0
227.17950	2.4
233.15387	2.0
237.16235	1.4
245.15286	4.0
249.14792	4.2
251.17784	1.4
253.19383	1.8
255.21136	1.4
259.16837	1.7
279.20959	1.2
304.75732	1.2
339.22852	1.1
349.28882	1.6
389.31805	5.8
395.29150	1.3
407.32950	18.6
409.30600	1.6
425.33813	5.7
435.32590	13.1
453.33539	9.1
471.34467	3.8
633.37665	8.0
651.41809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96121	0.3
53.03910	0.5
54.80883	0.3
55.05490	3.8
57.03387	0.3
57.07056	0.5
64.50500	0.3
65.03915	1.5
67.05479	4.3
67.77698	0.4
69.07039	3.3
73.32777	0.3
79.05463	4.0
81.07021	8.9
83.04939	6.2
83.08575	2.3
85.06522	0.3
91.05441	20.4
93.07010	8.9
95.04927	2.0
95.08570	13.9
97.06556	0.4
97.10141	0.6
99.08056	1.6
105.06995	10.8
107.04921	0.4
107.07890	0.7
107.08565	12.6
109.06484	1.9
109.10129	6.9
111.04386	0.8
111.08039	0.6
117.06979	1.9
119.04906	45.0
119.08540	19.7
121.10084	7.8
123.04390	0.6
123.08043	1.6
123.11658	2.1
125.09596	1.6
129.06947	1.5
131.08519	8.6
133.10081	10.1
135.04437	0.5
135.08067	0.4
135.11647	4.5
137.09546	0.4
137.13216	0.7
139.03897	3.3
139.83168	0.4
142.07764	0.4
143.08501	4.6
145.10077	13.8
147.04367	100.0
147.11638	8.4
149.09543	0.7
149.13211	2.3
151.11142	0.6
155.08488	1.5
157.10075	6.0
158.10907	0.7
159.11655	10.0
161.09581	0.6
161.13214	4.0
162.13654	0.4
163.03847	2.1
163.14778	2.0
165.05397	2.6
169.10046	2.1
171.11615	3.6
173.13211	8.0
175.14734	5.7
177.12718	0.7
177.16374	2.0
181.04886	0.9
183.11603	2.5
184.12473	0.6
185.13206	5.9
187.14726	8.6
189.12578	0.4
189.16322	3.1
191.14296	0.7
195.11542	0.5
197.13191	2.5
199.14752	6.7
201.12701	0.5
201.16330	8.9
203.14288	3.7
203.17911	0.8
205.15845	2.5
209.13145	2.1
211.14745	2.1
213.16367	4.7
215.14272	0.7
215.17899	1.6
217.15800	1.9
219.13748	0.5
219.17462	0.6
221.15280	0.8
223.14815	0.7
225.16275	1.4
227.17998	0.6
228.63695	0.4
229.15833	0.5
231.17549	0.7
233.15369	0.9
237.16412	0.4
239.17805	0.6
241.19495	0.6
245.15317	1.6
245.90192	0.4
247.13107	0.7
247.16771	0.8
249.14609	1.0
251.17813	0.4
253.19368	1.4
267.20831	0.5
279.90051	0.4
291.21008	0.5
341.28247	0.7
387.29947	0.4
393.27557	1.3
405.31372	5.6
407.33026	1.7
411.29214	0.5
417.27319	0.4
421.30829	0.4
423.32449	3.7
433.30881	2.2
435.32468	0.5
451.31958	4.9
453.33365	0.4
469.32965	9.5
487.33649	0.4
581.33002	0.5
651.33289	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99178	0.4
55.05501	4.2
55.91977	0.4
59.04977	0.5
65.03910	0.8
67.05476	3.5
69.03382	0.5
69.07026	2.7
76.91305	0.4
79.05450	3.6
81.07021	10.8
83.04944	8.6
83.08579	2.4
91.04896	0.9
91.05444	18.2
93.07017	9.4
95.04950	2.9
95.08570	11.0
97.06499	0.9
99.08062	1.0
105.07001	13.0
107.08556	15.6
109.06472	2.3
109.10104	6.1
111.08060	0.8
117.06943	1.8
119.04900	32.4
119.08533	18.7
121.10087	8.0
123.08001	0.8
123.11658	2.9
125.09551	1.9
129.06972	1.9
129.14394	0.4
131.08533	8.3
133.10078	11.3
135.11667	4.3
143.08516	4.1
144.09219	0.5
145.10075	14.5
147.04366	100.0
147.11626	8.8
149.13213	2.7
151.11127	0.6
151.90436	0.5
155.08510	1.1
156.09329	0.8
157.10040	7.2
158.10869	0.6
159.11621	11.5
159.12820	0.8
160.21167	0.5
161.09592	0.5
161.13223	5.8
163.03851	0.8
163.07539	0.6
163.14780	1.7
165.05402	2.8
169.10033	1.0
170.10793	0.6
171.11610	5.2
173.13208	8.2
175.14764	4.5
177.16357	1.0
179.08467	0.6
183.11633	2.1
185.13206	5.6
187.14749	8.7
189.16339	2.9
191.14223	0.5
193.15836	0.8
195.11676	0.9
197.13205	2.5
199.14751	7.6
201.16302	7.5
203.10461	0.5
203.14275	2.9
203.17860	0.4
205.15791	1.8
209.13127	0.7
211.14818	2.1
213.16296	4.1
215.14240	0.7
215.17915	1.8
217.15976	0.5
219.17366	0.8
221.15262	2.3
227.17961	0.9
231.17290	1.1
233.15306	0.8
237.16292	0.8
239.17891	1.0
245.15266	0.9
247.16814	0.6
249.14690	1.8
253.19673	0.6
254.20082	0.5
255.21004	0.5
259.16708	0.9
267.20923	0.5
323.26498	0.5
341.28290	1.0
387.30096	1.8
393.27496	1.7
405.31387	7.1
407.33188	0.6
423.32516	4.3
433.30936	2.5
451.31989	5.9
469.32962	12.0
587.04932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62450	1.8
55.05495	12.9
57.07062	4.4
63.16589	1.6
67.05479	18.4
68.29311	2.0
68.29688	2.1
69.07044	19.9
79.05475	10.8
81.07027	30.3
83.08586	15.3
89.03887	4.2
91.05421	20.7
93.07005	34.2
95.08569	43.3
99.08066	2.2
105.06996	41.3
105.33263	2.2
107.04954	2.8
107.08558	61.9
109.06464	2.0
109.10123	24.6
109.85015	2.1
116.19889	2.0
117.03348	10.1
117.07015	9.7
119.04921	15.3
119.08540	70.5
121.10112	33.2
123.11662	11.0
129.06955	4.4
131.08537	26.4
133.10075	45.0
135.04364	23.7
135.11624	25.1
137.13268	3.3
141.02078	2.4
143.08508	16.3
145.02809	17.5
145.10083	50.1
147.04361	60.4
147.11626	26.9
148.26018	2.3
149.13237	14.4
157.10092	15.2
159.11638	32.0
161.13176	21.6
163.03850	100.0
163.11101	3.5
163.14783	4.9
165.05347	2.6
169.10057	9.5
170.10771	2.5
171.11623	9.1
173.13211	16.6
175.14709	29.0
177.16347	15.0
181.04868	9.3
183.11620	4.3
185.13187	15.9
187.14734	30.3
189.16302	23.6
191.17905	4.8
197.13210	9.1
199.14693	20.4
201.16290	38.3
203.14285	3.0
203.17955	14.6
205.15733	7.5
207.17281	2.9
209.13188	4.5
211.14760	8.4
213.16302	17.5
214.09827	2.3
215.17889	2.7
225.16341	4.3
227.18004	2.5
239.17877	3.5
245.15292	4.5
249.14859	5.1
251.17722	3.1
253.04329	2.5
253.19449	9.4
256.26123	2.4
259.16711	2.8
271.61090	2.3
299.19937	2.4
308.19208	2.3
389.31931	10.4
405.31281	8.0
407.32874	11.2
409.30826	13.3
420.29321	2.8
423.32382	4.8
433.30783	3.5
435.32413	35.7
451.32196	4.3
453.33493	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	651.388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.0
56.96536	0.7
57.03411	0.5
57.07051	0.9
58.51841	0.4
65.03915	0.5
67.05476	5.7
69.03430	0.8
69.07038	4.5
79.05451	3.4
81.07021	9.4
83.04952	6.6
83.08585	3.7
91.04905	0.8
91.05444	18.8
92.09337	2.4
93.07001	10.8
95.04926	1.0
95.08565	14.0
97.06478	0.6
97.10112	0.6
99.08041	2.0
105.06998	14.0
107.04946	0.5
107.08567	18.9
107.09299	0.8
109.06501	0.8
109.10117	7.8
111.04391	3.1
117.06944	2.5
119.04902	39.1
119.08533	25.8
121.10096	11.8
123.04420	0.9
123.08020	1.0
123.11670	3.0
125.09605	1.0
129.06964	1.9
131.08517	12.7
133.10091	14.6
135.04443	0.6
135.08061	0.7
135.11642	5.8
137.09544	0.8
139.03851	5.4
142.07744	1.0
143.08524	4.9
144.09317	0.6
145.10080	15.5
147.04367	100.0
147.11642	9.8
149.09550	0.5
149.13167	4.1
155.08482	1.1
156.09280	1.1
156.54578	0.5
157.10048	7.6
158.10857	2.0
159.11638	14.4
160.12276	0.6
161.13208	9.0
163.03850	2.9
163.11099	2.2
163.14790	2.2
165.05452	3.6
167.08444	0.5
169.10184	1.7
171.11642	6.4
173.13196	9.0
175.11111	0.5
175.14748	6.6
177.16344	1.0
181.04776	1.4
183.11606	4.4
183.96521	0.5
185.13188	9.0
187.14764	9.0
189.16342	4.9
191.14273	0.6
191.17885	0.8
195.11578	0.7
197.13240	3.1
199.14742	8.6
201.12639	0.7
201.16336	9.0
203.14275	3.4
203.17966	0.9
205.15842	3.2
209.13216	0.8
211.14784	1.9
213.16301	6.3
215.14320	0.7
215.17932	2.1
217.15771	2.1
217.19441	0.5
219.17340	1.1
221.15359	0.6
223.14642	0.7
225.16267	1.1
227.17795	0.6
231.17448	0.8
233.15274	1.1
239.17809	0.7
241.19325	0.7
245.15176	0.7
249.14717	1.0
253.19389	2.0
267.21005	1.0
277.19327	0.6
281.22614	0.7
295.32764	0.5
299.20001	0.6
305.02469	0.5
349.25400	0.5
350.29117	0.6
351.27264	0.7
387.30585	1.1
393.27826	0.8
405.31378	6.6
407.32797	0.9
423.32376	3.2
433.30966	2.6
435.32428	0.8
443.31473	0.5
451.31885	7.0
469.32974	9.7
581.33521	0.6
599.61115	0.5
651.33728	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	651.2802
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.80161	1.5
54.29674	1.3
54.65886	1.6
55.05481	1.7
62.00577	1.5
64.17628	1.5
81.07035	2.4
93.64488	1.8
95.08556	2.1
105.46724	1.8
108.50387	1.8
120.08070	2.6
131.44562	1.7
147.04300	2.1
153.75706	1.6
184.07301	6.7
259.21204	1.6
272.47128	1.5
415.19485	1.8
459.21771	2.5
461.19763	2.5
545.24994	3.7
563.26208	6.7
605.27191	3.2
651.27893	100.0
652.28094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32605	1.3
81.07439	1.0
81.23376	1.0
85.42561	1.0
92.09367	3.1
100.11668	1.1
101.52515	1.5
108.08053	1.2
117.80813	1.0
123.27399	1.2
136.60490	1.2
144.72806	1.1
292.27930	1.2
346.46790	1.3
402.18698	1.3
404.19998	1.3
417.20590	5.0
419.22092	2.5
429.16693	2.2
430.17288	2.6
431.18396	1.3
432.23038	2.1
444.19397	5.4
445.19662	8.3
457.20416	5.2
458.20618	1.9
459.21564	12.3
460.22394	9.5
471.21844	1.4
473.23505	2.2
505.25912	1.6
517.21973	1.8
517.71313	1.3
531.23224	2.5
546.25922	7.0
547.26971	2.0
559.26935	4.6
577.24127	2.0
591.25940	5.0
606.28381	26.8
619.29083	6.1
651.31573	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2798
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
60.87668	1.7
61.95701	1.5
63.16534	1.5
66.61829	1.5
92.08591	2.9
94.63876	1.8
97.14425	1.6
101.12014	1.8
141.69473	1.6
201.60321	1.6
280.11020	1.9
369.84528	2.6
373.66272	1.8
377.17416	2.2
399.15659	2.4
400.16650	2.4
401.17569	4.1
407.22067	2.7
413.17352	2.8
414.18607	3.7
415.19073	12.4
428.20056	2.4
429.21185	12.1
443.17734	3.5
443.22961	4.7
444.19031	6.7
445.19519	2.0
457.20108	3.3
461.34488	1.8
471.21967	7.5
472.22809	6.4
473.19525	3.2
486.20145	10.6
487.20581	2.0
499.21204	13.8
503.24243	3.2
516.21796	2.2
517.22089	7.5
527.20581	3.3
531.23590	17.8
549.24884	6.4
559.23187	97.8
587.22821	16.9
619.25336	100.0
651.27856	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2801
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05489	1.7
57.07053	1.9
61.11337	1.4
64.22939	1.4
80.08704	1.6
81.07024	2.6
82.93843	1.6
99.16385	1.7
104.05189	1.7
110.27334	1.9
127.22689	1.9
138.29042	1.8
157.58421	1.9
389.17584	2.1
431.18423	2.9
444.19437	2.5
445.19922	14.1
475.17401	2.3
476.21381	2.1
477.22559	2.9
491.20416	3.5
503.20657	3.4
504.21600	7.6
505.22122	9.7
517.22083	2.6
531.23395	2.5
558.36932	1.8
590.27234	2.1
591.25763	25.7
619.24854	2.2
651.27905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60189	0.4
55.05495	2.8
60.36958	0.5
64.02344	0.4
65.03908	0.8
67.05489	4.0
69.03417	0.7
69.07047	0.9
75.41969	0.6
79.05457	3.9
81.07023	7.6
83.04945	9.4
83.08593	0.8
91.05446	18.2
93.07001	5.6
95.04928	2.7
95.08569	8.9
105.06984	13.8
107.08554	8.5
109.06491	1.3
109.10124	4.8
117.06976	0.8
119.04898	36.9
119.08529	10.9
121.06453	0.7
121.10110	5.5
123.11679	2.7
125.09518	1.1
128.06203	0.5
129.06979	1.3
131.08519	9.5
133.10066	6.1
135.11656	2.6
142.07713	1.1
143.08528	4.9
145.10092	10.9
147.04361	100.0
147.11656	7.0
149.09525	0.8
149.13243	0.7
155.08482	3.0
156.09361	1.2
157.10103	6.3
158.10899	0.5
159.11639	9.9
161.13216	2.4
163.07469	0.9
163.14757	0.9
165.05424	2.8
168.09280	0.9
169.10095	3.1
170.10826	1.2
171.11586	5.7
173.13176	8.3
175.14769	2.9
177.12691	0.7
181.10016	0.7
182.10837	0.8
183.11600	9.4
185.13206	3.6
187.14778	3.2
195.11488	1.1
197.13226	4.2
199.14726	5.3
201.12662	13.3
201.16266	1.2
203.14232	1.1
205.12120	1.3
209.13286	1.1
211.14789	1.2
213.16357	1.1
215.14217	0.9
215.17924	0.7
217.15779	1.0
221.15262	1.1
223.14838	0.6
229.15924	1.0
241.05920	0.5
243.92831	0.6
247.13242	6.5
251.18005	0.8
257.15274	1.0
261.16644	0.6
311.97708	0.8
403.29800	3.4
421.30911	2.8
431.29517	1.3
438.33447	0.6
439.31366	0.6
449.30151	3.2
467.31348	11.0
603.40656	0.7
612.71661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.5
60.08141	8.4
67.05470	1.1
69.07050	0.5
71.07350	4.5
81.07017	0.6
86.09676	43.9
98.98416	3.4
101.84588	0.5
104.10711	3.0
124.99954	33.3
127.73934	0.6
131.08559	0.6
143.00873	0.6
184.07275	100.0
185.07643	0.6
250.42111	0.6
650.43732	11.7
659.72675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13663	2.2
51.78756	1.9
55.05485	10.3
57.07055	3.3
60.74088	2.3
67.05481	19.2
67.72771	2.2
69.07038	9.9
79.05460	5.8
81.07051	22.4
83.08594	6.0
86.96638	2.4
89.03876	3.2
91.05454	18.8
91.43079	2.4
92.21246	2.3
92.63074	2.6
93.07020	22.4
95.08570	25.1
105.06998	29.7
107.04878	3.7
107.08548	35.9
109.06506	3.1
109.10118	21.3
111.08116	3.3
117.03367	4.7
117.06960	9.2
119.04886	22.4
119.08537	46.1
121.10104	29.3
123.08043	2.9
123.11600	2.8
131.08524	22.5
133.10110	31.7
135.04387	26.1
135.11659	12.1
135.99582	2.4
137.13235	2.9
138.84911	2.7
143.08496	13.5
145.02878	21.1
145.03857	2.5
145.10081	43.2
147.04349	57.8
147.11618	18.3
149.13217	14.0
155.08527	3.9
157.10075	17.2
158.10817	4.1
159.11626	31.7
161.09508	3.6
161.13232	4.6
163.02539	4.4
163.03844	100.0
163.07500	3.9
163.11105	3.5
168.09293	2.5
169.10085	5.6
170.10808	3.0
171.11650	10.4
173.13176	30.4
175.14729	17.4
177.16406	3.2
181.04955	2.5
181.09935	2.9
183.11589	18.4
185.13158	12.8
187.14763	36.5
189.16411	4.0
199.14754	11.4
201.12698	31.9
201.16331	15.5
205.15781	10.7
213.16385	2.9
215.14166	3.9
215.18001	2.7
217.12161	2.7
247.13237	5.6
405.31390	11.8
423.32135	3.8
433.30856	6.0
451.31528	10.4
467.31192	5.3
469.32571	3.5
485.32138	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	649.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15847	1.0
55.05486	6.2
57.07056	1.7
67.05468	6.7
69.07030	5.2
71.34169	1.2
79.05447	5.9
81.07017	11.1
83.08592	2.7
91.05444	17.9
93.07001	10.7
95.04943	1.8
95.08572	12.1
97.06493	1.3
102.92640	1.2
105.06989	19.1
107.08559	14.3
109.10123	7.4
117.06980	5.3
119.04906	31.9
119.08533	19.6
120.75337	1.1
121.10095	14.3
123.08044	2.1
123.11646	2.4
129.06960	2.0
130.96817	1.1
131.08534	12.7
133.10097	19.5
135.11684	6.2
142.07751	1.5
143.08562	8.7
145.10089	14.0
147.04366	100.0
147.08005	1.9
147.11632	10.1
149.05966	1.6
149.13202	2.7
155.08591	1.5
155.81920	1.1
156.09265	2.1
157.10101	9.9
159.11641	14.4
161.09598	1.2
161.13184	7.0
163.11139	7.0
163.14728	1.4
165.05458	2.6
168.09352	1.1
169.10089	2.6
171.11661	10.7
173.09561	1.2
173.13203	10.8
175.11166	1.4
175.14731	2.5
175.52283	1.0
177.12714	1.6
181.10161	2.2
182.10857	1.3
183.11603	5.0
185.13193	5.7
187.14748	9.3
189.12729	2.6
189.16368	2.4
195.11635	1.5
197.13142	4.1
199.11174	8.5
199.14743	4.0
201.12704	4.1
201.16357	2.5
203.14226	2.2
203.17961	1.7
205.15834	10.0
211.14648	1.3
213.16428	3.7
215.14244	2.2
215.17810	1.8
217.12227	7.4
219.13765	2.0
221.15308	1.4
233.15282	4.7
263.12656	5.2
279.15845	4.6
336.81210	1.4
349.24960	1.5
403.29825	2.3
405.31348	1.9
409.30658	2.4
421.30841	5.8
423.32474	2.3
439.31778	5.7
453.93756	1.2
467.31332	5.6
485.32220	2.0
631.35638	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	649.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.05476	2.6
61.51588	0.5
67.05466	2.6
69.07034	1.9
79.05471	3.4
81.07020	7.5
83.04952	10.3
83.08555	0.8
84.48415	0.4
91.05447	17.1
92.08672	1.0
93.07022	6.7
95.04923	2.5
95.08559	8.1
97.06474	0.5
105.06992	15.1
107.08556	10.6
109.06486	0.9
109.10116	3.2
111.08046	0.6
117.06958	3.4
119.04901	39.3
119.08534	14.0
121.06455	0.6
121.10077	5.7
123.07977	0.8
123.11652	2.7
125.09583	0.5
128.06128	0.5
129.06960	2.1
130.07755	0.5
131.08517	10.6
133.06459	0.5
133.10069	6.9
135.07947	0.5
135.11653	1.0
137.09657	0.6
142.07741	2.3
143.08499	4.5
145.10075	11.5
147.04364	100.0
147.11636	5.7
149.13242	1.8
151.11011	0.8
155.08510	2.8
156.09288	2.0
157.10081	7.8
158.10855	0.8
159.11623	10.5
161.13211	3.6
163.07524	0.7
163.11148	0.7
165.05432	2.5
168.09380	0.7
169.10040	3.2
170.10838	0.9
171.11652	4.5
173.13211	7.8
175.14740	2.3
177.91997	0.5
181.10106	0.7
181.11662	0.6
182.10744	0.8
183.11641	9.0
185.13196	5.4
187.11063	0.6
187.14766	4.3
189.16263	0.5
191.14243	0.7
195.11632	1.1
197.13191	3.2
199.14752	5.6
201.12679	13.4
201.16319	1.1
203.14230	2.1
205.12206	2.6
205.15970	0.5
207.11502	0.6
209.13193	0.9
211.14757	2.3
213.16313	1.0
215.14241	0.8
217.15710	0.8
218.88533	0.5
221.15399	0.7
223.14857	0.8
226.21455	0.5
229.15817	0.7
235.14804	0.7
237.16127	0.5
243.13570	0.6
245.15294	0.8
247.13242	5.9
251.17874	0.5
257.15308	0.8
339.26791	0.8
385.28561	0.6
391.26099	0.7
403.29773	2.0
403.72879	0.6
421.30765	2.2
427.30322	0.5
431.29114	1.0
449.30365	3.5
458.85699	0.5
467.31323	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	649.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11721	0.9
53.13392	1.0
55.05489	4.4
57.07045	1.2
64.96552	1.0
65.03910	1.1
67.05481	6.0
69.03407	0.9
69.07030	4.7
79.05466	2.6
81.07027	8.0
83.08598	1.6
85.02863	1.0
91.05437	17.3
92.08712	1.6
93.07004	12.0
95.08560	12.9
105.07001	17.4
107.08540	15.4
107.09146	1.4
109.06448	2.0
109.10147	8.0
117.07001	4.1
119.04897	31.9
119.08540	20.0
119.11753	1.1
121.10104	10.2
123.08067	1.6
123.11654	1.4
128.06090	1.1
129.06934	1.9
131.08493	10.7
133.10072	17.6
135.11652	6.7
135.33275	1.1
137.09479	1.2
138.73131	1.1
142.07758	1.9
143.08514	9.8
145.10063	15.8
147.04364	100.0
147.08075	1.3
147.11649	10.0
149.05977	1.2
149.09563	1.1
149.13234	4.6
149.66832	1.2
155.08505	1.3
156.09206	0.9
157.10089	8.7
159.11624	15.2
161.09653	1.5
161.13196	6.1
162.62253	1.0
163.11096	4.5
163.14801	1.9
165.05415	2.1
168.62082	1.0
169.10112	2.5
171.11546	7.5
173.13193	11.9
175.11150	1.6
175.14775	4.2
176.67165	1.0
181.10083	2.0
181.84203	1.2
183.11652	5.7
185.13234	7.4
187.11136	2.1
187.14742	7.8
189.12657	2.3
189.16307	1.9
195.11792	1.2
197.13191	1.6
199.11139	8.9
199.14835	4.5
201.12703	1.5
201.16351	2.5
203.14299	4.7
203.17711	1.5
205.15849	6.8
211.14685	1.9
213.16335	1.4
215.14279	4.0
217.12204	4.7
217.15805	1.9
219.13751	4.1
223.14766	1.2
233.15355	1.7
254.31012	1.1
263.12741	2.6
279.15894	1.8
385.29044	1.2
403.29803	2.0
421.30881	5.9
439.31976	4.0
455.31635	1.3
467.31122	2.6
485.32306	1.4
565.25232	1.1
631.35785	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	649.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80454	1.0
55.05492	8.6
59.52375	1.0
60.28000	1.1
61.02915	1.2
65.03945	1.1
66.14690	1.1
67.05483	6.1
69.03415	1.5
69.07037	5.9
79.05457	8.5
81.07024	15.6
83.08601	1.8
85.02904	1.5
88.33055	1.1
91.05451	20.0
92.66102	1.1
93.07001	12.7
95.04927	2.8
95.08575	11.7
97.06508	2.7
105.07005	18.9
107.08574	19.1
108.79023	1.3
109.06477	2.4
109.10115	9.2
117.06948	1.5
119.04901	36.0
119.08556	25.9
121.10091	10.8
123.08012	2.2
123.11671	1.8
125.09569	1.9
128.06229	1.8
129.06975	1.9
131.08546	16.0
133.10097	18.5
135.07983	1.4
135.11661	5.0
142.07758	2.4
143.08528	11.0
145.10066	22.0
147.04366	100.0
147.11650	7.8
149.09578	1.2
149.13168	2.4
155.08528	5.0
156.09367	1.9
157.10083	14.2
159.08060	1.3
159.11641	24.4
161.13240	8.0
163.11081	2.7
163.14799	1.7
165.05472	2.2
168.09473	1.6
169.10085	7.5
170.10794	4.2
171.11646	11.6
173.13188	12.8
175.14749	5.7
181.10103	6.0
183.11655	14.8
185.13200	9.2
187.14729	12.3
195.11632	1.9
197.13191	8.2
199.11157	5.8
199.14795	8.3
201.12703	12.5
201.16345	5.3
203.14243	1.5
205.12186	1.4
209.13152	1.5
211.14771	4.9
213.16338	3.0
215.14194	2.7
227.17987	2.0
237.16362	1.2
247.13101	2.2
249.80634	1.2
292.80670	1.2
349.16776	1.4
365.28290	1.5
403.29898	6.0
421.30936	5.8
431.28992	1.5
449.30090	5.0
467.31052	2.3
592.07800	1.5
631.35864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3008
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
71.50439	5.5
73.35191	6.2
84.97970	6.3
92.08702	14.0
96.58887	7.4
105.47557	6.7
124.65875	6.5
132.30739	6.2
140.82384	6.5
165.92691	8.1
240.02299	6.8
365.94073	7.9
405.98410	7.6
493.17416	7.6
547.26727	11.9
589.27905	25.3
649.30084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77393	0.3
55.05495	2.6
61.02892	0.7
65.03910	1.3
67.05479	4.1
69.03416	0.3
69.07034	1.5
70.63601	0.4
73.02898	0.6
79.05472	3.7
81.07026	7.6
83.04948	11.2
83.08579	0.5
85.02892	0.5
91.03898	0.7
91.05442	19.9
93.07001	7.1
95.04925	2.1
95.08569	7.2
97.06493	0.5
99.08090	0.4
105.06994	10.3
107.08556	9.6
109.06496	0.9
109.10130	3.4
111.08058	0.3
112.22865	0.3
117.06961	2.1
119.04900	47.8
119.08537	9.2
121.06464	0.4
121.10101	3.8
123.08058	1.4
123.11681	2.1
125.09627	0.8
129.06955	0.7
131.08533	6.9
133.10088	5.1
135.11653	2.6
138.73430	0.3
142.07767	0.7
143.08534	3.5
145.10074	8.3
147.04367	100.0
147.11627	4.2
148.04707	0.6
149.13216	1.7
155.08505	0.7
156.09317	0.6
157.10077	5.3
159.08046	0.5
159.11642	8.9
161.13199	1.8
163.07495	0.5
163.11087	0.4
165.05424	0.7
169.10057	2.0
170.10893	0.5
171.11661	2.9
173.09644	0.5
173.13185	7.5
173.66608	0.4
175.11163	0.4
175.14786	2.2
177.12668	0.6
177.16307	0.4
181.10094	0.6
183.11613	6.2
185.13168	3.4
187.11154	0.4
187.14719	3.4
189.16339	0.5
191.14156	0.6
195.11542	0.9
197.13194	2.4
199.14749	4.1
201.12685	11.0
201.16319	1.4
203.14304	1.4
205.12221	1.8
205.15811	0.6
209.13173	0.9
211.14885	0.9
213.16293	0.8
215.14206	0.7
215.17903	1.5
217.15855	1.5
221.15250	0.8
229.15868	0.6
233.18939	1.4
237.16396	0.5
239.17833	0.6
247.13127	3.5
257.15216	0.5
339.26743	0.7
385.84564	0.4
403.29840	1.6
409.27304	0.4
421.30768	1.4
431.29282	0.5
445.25485	0.5
449.30402	3.3
467.31375	10.1
649.31580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90580	0.9
57.30787	0.9
60.49665	1.0
60.68218	1.1
67.05502	1.2
69.03417	2.1
69.07037	7.4
79.05443	2.3
81.07024	5.3
83.04964	1.2
85.02869	5.3
87.17376	0.9
91.05441	1.9
93.06976	2.2
94.06522	6.2
95.04929	1.8
95.08572	2.3
97.06501	2.1
98.97562	1.1
105.06981	1.9
107.04939	1.2
108.08126	1.4
109.10121	1.1
110.05972	1.2
116.39879	1.1
118.06526	1.4
119.08527	2.3
121.10090	2.1
122.05984	24.1
123.04408	1.3
127.03896	1.9
134.05952	4.8
140.07031	22.7
146.05971	12.9
148.07526	1.6
152.07048	2.6
153.05403	2.0
162.05373	1.4
163.03813	1.3
163.06226	1.9
172.03871	16.4
174.05463	16.2
176.06940	8.5
181.04851	2.3
182.09639	1.1
184.09770	1.1
190.04916	5.4
191.05757	1.7
192.06552	1.2
197.10547	1.5
199.12357	2.0
204.06448	20.3
206.08099	2.2
211.08589	1.6
212.09415	1.9
213.10106	4.6
215.11690	2.3
225.10197	6.7
226.10901	1.5
227.11716	27.9
228.10176	1.4
235.09532	1.4
237.10184	5.7
239.11745	2.3
241.09419	1.3
241.13350	1.5
243.11212	2.5
245.12729	6.1
251.11696	5.5
253.09669	2.0
255.11209	1.8
261.12158	1.8
265.09595	6.7
266.10522	1.4
267.11224	4.9
269.12750	4.5
271.10629	7.4
279.11243	6.0
283.10757	5.3
285.12213	4.8
287.05380	2.3
287.13754	23.8
289.11740	4.8
293.08960	1.8
295.10605	8.2
297.12143	4.9
301.11679	4.6
303.13428	5.5
305.14853	70.2
313.11685	13.0
315.13248	1.9
318.15805	6.0
321.48346	1.2
323.10107	1.2
325.11743	2.5
329.15298	1.5
330.12170	2.1
331.12808	7.3
332.13773	1.6
335.10175	2.2
342.12296	1.5
345.14392	5.4
346.15439	4.0
348.16995	4.0
349.17810	8.4
353.11090	5.5
355.12949	1.8
358.15305	4.5
362.18530	7.9
371.12460	2.1
372.13071	4.0
372.17111	1.7
373.17871	1.4
376.16385	6.7
384.13315	1.5
385.13885	5.5
386.14731	6.4
387.15399	5.1
388.16418	4.3
390.18127	2.5
399.15680	1.8
400.16238	7.3
402.14093	1.7
403.15186	1.9
404.15558	8.5
406.17380	2.2
408.19058	2.5
416.15927	10.8
417.16705	25.1
418.17447	37.0
432.18866	6.4
435.17560	5.5
436.18494	7.3
440.16058	1.2
446.16727	5.1
448.18301	1.6
458.16876	5.1
459.18021	1.2
476.17953	21.3
477.18829	19.2
478.19376	2.1
494.19299	8.2
508.20721	2.3
526.21259	2.3
599.24963	5.3
617.25885	100.0
618.26031	2.2
649.28082	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	649.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58745	0.3
55.05472	0.2
55.11551	0.2
56.96529	0.6
67.05450	0.6
69.03372	0.6
79.05421	0.6
81.03326	0.4
81.07005	0.6
83.04911	0.5
83.85413	0.3
85.02846	1.5
91.05441	0.7
93.06989	1.4
95.04874	0.4
97.02827	0.5
97.06476	0.4
98.63649	0.3
98.97559	0.4
105.06963	1.6
107.04877	0.5
107.08523	0.6
111.04355	0.5
115.05350	0.4
119.08515	1.4
121.06466	0.3
121.10120	0.4
123.04376	0.5
127.00587	0.4
131.04890	0.5
131.08516	0.5
133.06438	0.5
133.10037	1.6
135.04353	0.4
145.02800	0.4
145.10081	0.4
147.04309	0.5
157.10023	0.4
159.11623	0.7
161.05858	0.5
163.03833	1.7
167.06946	1.6
171.11613	0.4
172.06271	0.8
172.11111	0.7
174.11459	2.6
181.04918	0.5
185.07034	4.4
185.13197	0.4
185.79651	0.3
186.07776	0.4
187.13446	0.4
191.10460	0.3
199.08585	7.2
200.09381	47.5
201.10149	9.8
203.15405	3.8
204.13832	0.5
213.10172	4.1
214.10916	7.6
215.11499	0.3
225.10098	0.7
227.02116	0.4
227.11633	0.6
229.13275	100.0
230.13589	0.7
231.14835	6.3
239.11690	1.3
241.13127	0.4
242.10362	0.4
249.15887	1.9
253.09669	0.5
257.12747	58.1
267.11060	0.6
269.12680	0.4
275.13794	38.4
276.14032	0.6
313.11743	1.9
315.13232	0.4
343.12802	0.7
373.13657	0.5
375.15244	0.7
423.13141	1.3
423.62881	0.7
487.30212	2.4
617.25854	22.5
618.26617	0.3
631.27173	0.6
649.28424	31.7
650.28577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33821	0.8
53.03932	1.9
54.80341	1.0
55.21254	1.0
57.03426	1.3
60.08156	1.0
65.77215	1.0
66.25385	1.0
67.05473	1.9
69.03407	5.7
69.07043	2.4
73.02909	1.1
79.05454	4.0
81.03388	4.6
81.07024	4.3
85.02884	2.6
86.09679	3.6
91.05464	9.1
92.08677	2.1
93.07011	4.2
95.04922	8.6
95.08594	1.8
97.02865	1.7
97.06496	1.6
103.05421	27.4
105.03362	100.0
105.04459	2.9
105.06971	8.9
107.04917	1.8
107.08562	4.6
111.04421	1.0
119.04893	5.0
119.08528	4.3
121.06455	6.4
123.04381	4.6
124.99919	2.3
125.05960	1.1
127.03904	1.6
129.06982	1.4
131.04887	92.4
131.08528	2.1
133.02823	1.9
133.06454	6.3
133.08586	1.1
137.05934	36.2
139.03889	1.0
147.04370	25.9
147.08015	6.6
147.11700	1.4
149.05966	13.5
151.07538	8.5
161.05927	10.1
161.13240	1.2
162.06752	10.7
163.07501	30.2
165.21271	1.1
167.07022	7.2
175.07484	22.1
177.05484	2.0
179.07013	6.5
184.07298	7.1
187.07504	1.7
205.08553	1.7
221.05968	1.5
271.09723	1.4
283.09610	1.3
297.11127	18.7
299.12762	1.2
309.10986	2.6
421.16339	7.2
433.16104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72339	1.6
57.07056	2.5
58.13597	2.0
60.06020	2.1
70.90512	2.0
85.19930	2.0
88.80537	2.3
89.58183	2.6
119.13254	2.1
199.80644	2.3
204.83487	2.5
250.43187	2.4
331.87234	2.5
333.20203	4.9
645.46869	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	646.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.9
53.03926	2.4
54.80875	0.6
55.01847	0.9
55.05491	7.2
57.03419	0.9
57.07058	29.2
59.80637	0.6
67.05480	14.6
69.03394	0.6
69.07044	5.2
71.04971	1.2
71.08606	18.0
79.05473	8.9
81.03390	54.4
81.07024	15.5
83.04943	1.2
83.08592	15.5
85.06527	0.8
85.10152	10.3
91.05447	10.7
92.08666	1.8
93.07000	5.8
95.04942	13.4
95.08576	16.9
97.10138	3.3
101.33408	0.6
105.07017	9.1
107.04927	3.2
107.08553	1.3
109.06521	0.8
109.10139	6.3
109.32047	0.7
111.08044	2.5
115.05429	0.8
119.08546	6.8
121.06492	0.7
121.10098	3.7
123.08048	0.6
123.11642	0.9
129.06979	6.8
131.08533	4.3
133.06488	0.9
133.10107	1.6
142.07704	1.2
147.08051	0.7
147.11658	1.5
149.09572	3.0
157.10097	7.2
165.12730	0.8
175.11157	3.3
193.12177	6.7
216.75360	0.7
236.16359	4.9
239.23755	0.8
249.14775	0.9
252.17848	0.7
282.27847	1.2
313.27280	1.2
505.38705	100.0
506.38940	3.3
550.23688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05462	6.6
69.07047	2.2
71.03639	1.5
79.05463	2.1
81.07034	3.4
91.05457	8.3
93.07012	11.2
94.06537	14.7
95.04924	2.7
95.07306	8.3
95.08563	2.2
96.08102	22.2
97.06474	2.8
103.05436	1.9
105.05825	1.9
105.07014	3.7
106.06525	7.9
107.08551	2.7
108.08078	32.5
109.10104	2.9
110.09645	31.8
111.61677	1.6
116.04883	2.5
116.78092	1.9
119.08553	3.8
120.04426	3.2
120.08070	27.9
121.08812	2.0
122.05991	14.1
124.07540	17.4
125.35859	1.9
131.08597	2.0
133.10109	2.4
134.05925	6.9
134.09688	2.0
136.07539	53.9
137.05901	1.7
138.09093	39.4
144.04399	11.1
146.05965	14.1
148.07510	30.9
150.09129	8.9
152.07024	32.5
154.04993	2.1
160.03899	3.0
162.05394	6.5
163.03836	3.1
164.07007	10.5
166.08586	64.6
167.07045	2.7
172.03873	41.2
174.09088	2.4
190.04919	26.4
196.09900	2.1
197.10744	7.6
198.11459	3.8
202.03247	2.1
204.06517	38.6
209.10696	7.2
210.11395	13.2
211.12224	18.9
212.09355	2.1
212.13008	3.5
213.10156	2.1
217.04768	1.7
221.10710	1.9
222.11317	2.3
223.08710	2.3
223.12218	17.0
225.10211	14.1
225.13687	3.0
226.10957	10.7
227.11757	12.4
229.13260	2.6
235.08580	2.8
235.12230	3.1
236.09259	2.4
237.10136	23.9
237.13715	2.7
238.10910	16.5
239.11642	21.3
240.12430	2.8
248.09412	3.2
249.10147	14.5
250.10899	12.0
251.07886	2.5
251.11716	40.5
252.08890	3.5
252.12447	8.4
253.09624	4.0
253.13234	8.6
255.11147	7.3
256.11981	10.6
257.12720	3.0
259.14236	2.3
261.10034	1.9
262.10916	6.6
263.11694	40.1
264.08710	9.1
264.12399	7.9
265.09970	15.3
265.13251	20.1
266.10416	16.4
267.11182	38.8
269.12747	13.8
271.10629	2.5
271.14243	8.5
273.12234	2.4
277.09625	8.8
278.10492	7.1
279.11191	77.8
280.11868	15.6
281.12796	21.9
282.10031	2.8
282.13391	2.7
283.10724	11.1
283.14072	2.0
284.11423	21.7
285.09015	2.4
285.12225	76.0
287.13977	3.7
289.15411	3.5
291.11212	30.1
292.11935	10.1
293.09494	3.3
293.12717	27.7
295.10648	3.8
295.14053	2.7
296.11533	10.3
297.12253	100.0
298.12927	3.7
299.13818	12.4
307.10751	3.0
309.12222	35.6
310.12872	7.9
311.10077	8.9
311.13394	5.9
316.14282	2.1
319.10730	17.8
321.12222	30.0
323.10199	18.1
325.11749	28.9
327.13351	20.3
330.15897	2.1
337.11700	66.2
339.13400	9.1
343.12976	2.3
355.12802	2.2
357.14294	12.4
362.18051	2.2
369.14145	8.4
390.18164	3.3
392.19452	3.1
400.16144	3.1
402.17990	8.0
404.19629	3.6
412.16171	2.6
420.18744	2.3
421.19690	2.2
422.20700	3.7
430.17462	9.1
432.18869	14.7
442.17551	3.3
446.20508	9.4
448.18457	34.6
449.19330	28.5
450.20047	29.5
460.18335	26.8
462.20178	6.5
463.20975	2.0
474.20108	11.0
476.17877	12.0
477.18713	10.4
478.19345	11.9
490.19531	49.7
491.20190	12.0
492.21124	16.3
506.82751	2.0
522.22125	20.4
523.22760	9.4
567.25836	2.3
595.25220	16.7
613.16730	3.2
613.26434	97.3
645.29126	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	645.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34534	0.1
55.01860	0.2
56.96529	0.4
57.03400	0.7
61.02900	0.2
69.03393	1.2
73.02867	0.3
81.03373	0.3
83.04926	0.2
85.02874	2.4
91.37594	0.2
97.02843	1.7
98.97536	1.3
99.04398	0.2
107.04920	0.2
109.02820	0.8
111.04375	0.3
116.98566	0.7
119.01836	1.6
120.95378	0.6
123.05589	0.1
127.03854	1.1
128.02274	0.2
131.01889	0.3
134.99525	0.2
135.04340	0.7
138.96356	0.6
139.03801	0.2
143.00136	0.3
143.01822	1.1
145.03429	0.7
145.04843	0.3
146.99608	0.4
147.04314	1.5
149.02835	0.2
153.03271	0.2
153.05412	0.2
155.01810	0.7
156.97404	2.7
157.03415	0.3
158.99593	0.3
161.01137	0.3
161.02869	1.9
163.03818	2.8
164.04184	0.4
170.99651	0.2
172.95203	0.2
173.01407	0.2
173.02853	1.7
174.98471	5.6
175.04449	0.6
177.00618	0.8
177.02174	0.1
177.04021	0.2
179.02046	0.2
180.97379	6.1
181.95821	0.1
182.03400	0.2
182.98898	0.6
185.02885	2.4
187.02646	0.2
187.04578	0.2
189.00638	0.7
190.96222	0.2
191.03862	0.3
194.98911	0.2
197.02895	1.0
198.98459	100.0
199.98521	2.0
200.04271	0.6
201.00188	0.8
203.02177	0.3
203.03935	1.0
210.98405	3.3
213.00018	2.6
215.03934	0.8
216.99510	44.8
217.99718	0.7
218.99678	0.2
219.01678	0.8
221.05492	0.1
222.00046	1.4
222.98459	1.2
225.00055	1.2
227.01599	0.2
227.03879	0.3
228.99504	9.9
229.99657	0.2
231.01279	0.3
234.98457	3.7
237.02687	0.4
239.04276	0.6
240.01178	0.6
240.99471	11.4
243.01158	0.8
245.05000	4.9
247.00552	2.3
247.87422	0.2
249.02814	0.2
251.06792	0.3
252.01152	0.2
252.99477	2.8
257.05249	0.2
259.00528	8.0
261.02695	0.2
263.06006	0.4
264.99512	0.7
267.03815	0.2
270.05106	0.2
271.00546	1.1
275.05969	0.4
277.01517	2.2
279.03659	0.2
281.06937	0.3
282.02066	0.3
282.97369	0.3
283.00534	7.6
291.03641	0.3
295.05890	0.7
301.01575	13.3
302.01883	0.3
303.03027	0.3
319.02640	3.8
320.03067	0.3
321.04480	0.2
342.04416	0.2
343.02588	0.3
362.09540	0.8
363.10019	0.2
375.83878	0.2
377.08475	0.2
463.06769	35.4
464.07184	0.9
481.07809	1.7
486.59930	0.2
502.17050	0.2
543.26691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81401	0.4
55.01843	0.9
55.05492	5.5
57.03415	6.4
61.02605	0.5
61.02902	8.0
64.32942	0.5
65.57819	0.4
67.05157	0.6
67.05482	12.5
69.03397	2.4
69.07040	8.8
71.04945	2.0
73.02888	3.2
78.73369	0.4
79.05457	6.0
81.03362	0.8
81.07025	44.2
83.04951	5.6
83.08588	4.9
85.02870	10.7
85.06506	2.9
91.03920	8.2
91.05447	13.1
93.07018	7.6
95.04929	1.0
95.08569	12.4
97.02869	4.8
97.06490	4.1
99.04424	0.7
99.08062	3.2
101.05957	0.7
105.06999	18.9
107.04912	0.4
107.08550	7.9
109.06496	3.7
109.10136	0.9
111.04444	0.4
113.05988	0.7
119.08538	19.8
121.09271	0.8
121.10099	15.2
123.08033	2.7
123.11663	22.2
127.03882	2.7
127.07471	1.5
129.06961	0.6
131.08539	0.6
133.10081	2.7
137.13219	2.1
141.09048	0.8
145.04913	1.8
145.10068	0.7
147.11639	54.3
157.10066	2.0
163.05908	1.7
165.12692	24.1
175.11119	2.5
183.13777	3.1
189.05948	0.4
193.12115	2.0
193.66560	0.4
204.63588	0.5
219.01732	0.4
229.14230	5.2
234.17282	0.5
267.15799	31.9
285.16855	100.0
286.17212	0.7
420.08197	0.5
429.21155	1.6
447.22018	5.7
506.84286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81244	1.2
56.96291	1.4
56.96548	34.6
61.20403	0.7
62.09823	0.8
67.05453	1.6
71.95205	1.1
81.07021	2.1
84.45250	0.8
84.96014	1.5
91.05432	1.6
93.07002	4.7
95.08561	4.3
97.02899	0.9
98.96938	1.8
98.97543	23.5
101.82645	0.9
105.06969	1.9
107.08533	4.0
109.10095	2.1
116.98569	24.8
119.08545	7.2
121.10107	2.2
131.08527	2.1
133.10071	3.4
134.99597	19.7
135.11626	1.4
137.09521	1.1
145.10065	5.3
147.11667	1.3
153.00668	3.7
159.11659	1.8
161.13173	1.4
165.09013	2.1
183.03334	1.0
187.14778	4.1
189.16209	1.4
201.16293	1.7
223.06210	1.2
247.10040	1.2
259.09924	1.3
263.09192	1.0
263.12924	0.9
273.07764	1.0
275.13138	0.9
277.10837	1.3
279.12576	1.6
281.14136	1.1
291.12741	1.6
293.14096	1.5
303.13007	1.0
307.11880	1.3
309.13461	1.1
311.15204	1.2
325.13065	1.8
343.14059	2.3
357.15741	1.8
395.21295	1.0
431.25827	1.5
433.78909	1.1
445.27820	1.3
451.28421	1.3
461.26407	1.4
477.26266	1.7
479.28500	1.1
481.29761	1.0
495.27600	8.8
497.29092	1.8
499.30185	1.1
507.27240	4.6
513.28741	7.4
515.30048	1.1
519.99829	1.2
525.28644	9.9
531.29718	6.3
541.31696	4.3
543.29688	26.7
559.32745	1.9
561.30835	34.7
579.31659	12.0
584.31940	1.5
603.31714	42.2
621.32886	100.0
622.32922	1.8
639.33484	5.4
644.34027	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	643.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95753	0.8
51.73229	0.9
54.45913	0.8
55.05489	1.1
67.05486	2.0
69.07042	1.0
69.69262	0.9
79.05473	1.8
81.03368	3.4
81.07024	2.4
91.05451	1.8
93.07017	6.2
94.06535	5.5
95.04988	1.7
95.07322	2.5
95.08565	2.5
96.08095	5.8
97.02886	1.2
97.06499	1.5
102.31561	1.0
105.07012	2.5
107.08571	1.7
108.08096	9.8
109.06535	1.0
109.10076	1.8
110.09643	11.0
116.04974	2.1
117.03314	1.2
120.04427	4.7
120.08090	9.9
121.10085	1.4
122.06012	5.9
123.08044	1.0
124.07538	4.8
131.08644	1.0
133.10092	2.2
134.05962	1.4
136.07567	6.8
138.09117	10.1
144.04414	12.5
145.02831	5.6
146.03156	2.5
146.05954	5.9
148.07587	1.7
151.07552	2.0
152.06966	1.8
160.03896	1.4
162.05438	8.8
166.08575	9.5
167.07097	1.7
172.03882	73.2
172.07750	1.1
176.07034	4.4
177.05440	4.2
178.05814	4.9
178.57545	1.0
190.04933	12.5
191.10628	1.5
197.10725	2.0
199.12277	2.1
204.06506	100.0
209.10672	1.9
211.08691	2.5
212.09280	1.6
221.10759	1.1
225.10156	8.6
227.11731	18.6
237.10114	2.2
238.07364	1.5
239.11746	2.4
241.09576	1.4
241.13374	1.7
249.10132	1.8
251.11845	1.7
253.09622	4.6
253.14198	1.3
264.08847	1.8
265.09564	1.5
269.12756	10.6
271.10590	9.6
273.12427	2.2
279.11243	1.9
283.10696	5.3
284.11459	2.4
285.12277	6.3
287.05353	3.9
287.13763	17.6
297.12314	7.0
299.14035	1.6
314.12753	1.3
316.14282	1.4
323.10318	7.0
325.11685	7.6
326.16589	1.3
327.13263	1.3
328.10730	4.0
328.14246	1.6
329.14902	1.8
330.15771	1.7
331.16821	1.8
342.12228	6.4
343.13159	5.4
356.13904	8.3
357.14453	21.5
358.15280	5.5
370.15585	2.5
382.11819	2.2
384.13275	4.2
385.13745	1.6
390.17752	1.8
398.14908	16.6
399.15631	23.1
400.16205	4.0
402.18097	1.4
404.15964	4.3
412.16266	1.2
414.18323	3.2
416.15927	19.3
422.16672	1.4
440.15707	2.4
446.16916	6.6
458.16931	25.7
481.28574	1.6
490.19623	8.5
541.25598	1.3
569.23517	5.0
583.24902	1.3
593.23621	2.6
611.24805	75.0
643.26440	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	643.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.6
60.46786	0.4
64.74986	0.5
65.03928	0.7
67.05468	2.8
69.68679	0.5
76.71399	0.5
79.05466	2.5
80.04987	0.5
81.03362	0.6
81.05744	0.6
81.07042	0.9
82.06535	0.8
89.03865	0.7
89.70428	0.4
91.05444	2.2
92.04966	2.0
93.05740	1.0
93.07004	5.7
94.06529	9.5
95.07299	4.0
96.08091	10.4
96.20914	0.6
97.06508	0.5
103.05434	0.8
105.05663	0.5
106.06503	2.4
107.07274	0.7
108.04462	3.0
108.08088	14.4
110.06001	0.5
110.09645	14.1
110.10343	0.8
116.04921	4.5
118.06536	1.2
120.04414	6.8
120.08069	11.0
122.05983	5.4
124.07548	11.9
132.04410	0.8
134.05997	5.9
136.07535	12.3
138.09097	16.3
144.04402	10.3
145.08823	0.5
146.05983	8.8
148.07523	5.0
151.07544	0.8
152.07047	3.2
160.03864	3.8
160.07542	0.8
162.05455	8.4
164.07039	2.2
165.09041	3.5
166.08586	14.6
167.07242	0.6
172.03870	44.1
173.04457	0.5
174.05472	2.2
176.06981	4.8
178.04955	0.7
182.09653	2.0
183.09058	0.8
184.07460	0.6
184.09856	1.2
186.09116	0.9
187.08527	0.6
189.02237	0.6
190.04915	27.2
195.09166	0.8
196.09799	1.1
197.10661	4.3
198.07698	0.7
199.08656	1.1
199.12257	4.5
204.06491	50.4
207.09082	0.6
209.10730	2.9
210.09167	2.6
210.11395	0.9
211.08560	7.4
211.12248	0.9
212.09377	3.2
213.10228	2.9
214.10869	0.5
222.07654	0.6
223.08582	2.1
223.12305	0.7
224.09505	2.5
225.10130	19.2
226.10994	2.8
227.11708	25.0
229.13319	0.5
235.08577	0.8
236.09399	2.9
237.10115	5.4
238.10924	2.8
239.11649	7.0
241.09631	2.3
241.13264	1.2
245.12747	0.9
249.10112	3.1
250.10925	0.8
251.08189	2.2
251.11644	5.4
252.08893	1.1
253.09579	11.5
254.10724	0.5
255.11308	1.2
257.12738	0.7
263.08142	1.0
264.08823	6.4
265.09689	4.2
266.10321	0.9
267.11230	4.2
269.12750	19.9
271.10626	14.6
273.12198	5.1
277.09531	4.4
278.10352	0.9
279.11115	5.0
281.09079	1.1
281.12817	0.9
283.10699	8.0
284.11383	6.0
285.12219	7.2
286.13184	0.9
287.13824	16.6
293.09079	0.7
294.09683	0.8
295.10654	2.4
296.11359	0.7
297.12210	12.1
299.14032	2.9
300.11517	1.0
301.12469	0.7
302.12872	2.1
307.10739	0.7
311.14020	0.7
312.14960	2.5
313.12991	3.2
314.12744	4.6
315.13654	2.4
316.10800	1.9
316.14441	2.9
321.08594	0.7
323.10165	9.3
324.15073	0.6
325.11710	22.7
326.12781	1.1
326.16522	2.3
327.13495	4.1
327.17270	1.8
328.11176	4.4
328.13840	4.3
329.11658	1.1
329.15170	2.2
330.12488	1.0
330.16071	3.3
331.16779	2.7
339.14145	0.7
340.14438	1.9
341.11725	3.8
342.12289	12.3
342.15912	1.8
343.12921	10.1
343.16605	0.6
344.13916	1.9
353.12518	0.8
354.12329	1.3
354.16107	1.1
355.13364	2.6
356.13757	9.0
357.14374	11.4
358.15344	7.3
367.13412	0.9
369.14990	0.6
370.11578	1.8
370.15469	7.4
371.16074	2.4
372.17062	1.0
374.18619	0.8
378.17944	2.2
380.13757	1.9
382.11734	7.0
383.12378	4.0
384.13071	8.6
384.16620	0.9
385.14200	2.9
386.14828	3.0
386.19052	4.6
388.16586	1.1
390.18076	3.4
394.15353	2.2
397.15289	0.9
398.14813	27.8
399.15637	34.3
400.16467	2.9
402.18259	1.0
404.15912	7.2
412.16559	2.3
414.18045	6.9
416.15863	25.8
422.16934	3.6
428.16003	3.4
430.17441	3.6
440.15784	8.0
446.16949	11.8
446.22922	0.9
448.18582	1.0
458.16937	37.2
478.19693	1.1
490.19513	8.2
565.24255	2.9
567.25861	3.3
569.23651	6.7
583.25220	2.1
593.23828	6.6
611.24786	100.0
612.25220	2.0
643.27161	4.9
665.00073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01858	1.8
59.66961	1.4
63.14592	1.2
65.03911	2.9
67.05467	3.5
69.03371	1.5
69.07037	1.8
73.65288	1.4
78.04671	2.1
79.05460	7.7
81.03366	1.8
81.07015	3.0
82.06554	1.9
91.05431	6.1
93.06994	8.8
94.06512	6.9
95.04911	8.7
95.07306	5.8
95.08566	1.4
96.08092	10.0
100.38890	1.5
103.05424	8.3
103.33073	1.3
105.06989	5.4
107.04920	7.3
107.08605	2.3
108.04473	2.2
108.08099	12.8
109.06496	1.5
110.09655	15.9
110.50566	1.4
111.04432	1.6
115.05467	4.4
116.04921	6.0
117.06967	5.6
118.04097	1.7
118.06514	1.9
119.04883	1.4
120.04423	7.7
120.08066	15.6
121.06466	1.4
122.05980	7.5
123.04391	9.9
124.05154	2.6
124.07561	8.9
129.06940	1.8
131.04869	8.8
133.06459	2.0
134.05946	3.2
135.11725	1.5
136.07527	13.1
137.05911	3.2
138.09077	18.2
138.33112	1.4
140.04465	1.5
144.04402	8.2
145.06454	11.8
146.05956	8.3
148.05127	5.3
148.07486	3.4
151.03807	1.7
151.07449	2.0
152.04558	1.6
155.06021	1.7
158.97873	1.6
160.03853	2.4
161.05917	5.0
162.05466	3.1
163.03867	2.7
163.07472	8.4
164.06985	2.0
166.08597	11.9
167.06966	100.0
171.06461	3.0
172.03859	30.8
173.05862	15.3
174.05370	1.9
175.07489	2.5
176.06999	3.0
180.44595	1.4
181.04880	46.2
183.06587	1.8
183.09219	1.7
190.04919	25.5
191.06982	22.2
196.07426	1.8
197.10654	2.3
199.12267	2.3
204.06485	37.5
205.08469	1.7
207.06398	2.2
209.10609	2.1
211.08502	6.2
212.09282	2.0
225.07835	2.6
225.10124	19.9
227.11700	29.0
233.08151	2.3
235.09277	2.1
237.10263	2.9
238.10977	3.1
239.11649	3.0
241.09593	1.8
241.13049	1.4
249.10249	2.4
251.11674	3.3
252.08865	1.9
253.09604	9.4
257.41888	1.4
263.08957	2.6
264.08936	5.6
265.09589	3.2
269.12759	24.4
271.10559	13.8
273.12253	3.2
277.09457	2.9
279.11130	7.7
282.76077	1.6
283.10712	9.4
284.11417	8.9
285.12286	3.0
287.13745	18.5
294.09708	1.9
297.03961	2.8
297.12167	12.9
314.12854	3.0
316.14383	1.8
323.10141	11.3
325.11676	26.0
327.13742	2.7
328.10510	6.3
328.14160	3.5
330.16006	1.7
341.11450	5.1
341.15387	1.7
342.12302	10.7
342.15903	1.7
343.12918	6.5
352.14142	2.9
356.13849	11.0
357.14371	10.5
358.15112	2.1
358.86258	1.5
370.11398	2.3
370.15302	9.9
382.11810	7.4
383.12180	2.0
384.13174	6.6
385.13724	5.8
386.14529	2.1
386.18790	2.7
387.14322	3.5
390.17819	5.8
398.14850	25.2
399.15701	37.0
400.16302	3.0
404.15878	3.3
412.16510	2.9
414.17932	7.0
416.15854	19.3
417.15399	25.7
422.16745	2.3
430.17340	3.4
440.15741	9.5
446.17111	12.5
458.16904	36.4
478.19229	2.1
490.19470	9.0
520.20178	1.6
565.24432	1.9
567.26172	1.9
569.23566	6.1
593.23907	10.0
611.24786	92.8
612.24628	2.4
626.24310	8.2
643.27222	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	643.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.49921	0.5
57.07058	9.1
58.17861	0.5
60.75968	0.5
69.07036	1.0
69.25971	0.6
71.08615	6.1
75.62630	0.7
79.05455	0.5
83.08602	0.7
85.10168	3.6
87.04439	1.2
89.06004	16.7
118.36450	0.6
122.59541	0.6
125.98757	0.6
133.08545	6.4
146.95195	0.6
152.77818	0.6
176.04480	0.6
177.11182	2.6
299.29453	0.9
371.22910	0.7
483.17886	4.1
497.19656	1.0
498.19962	2.7
541.17548	0.9
542.11316	0.7
625.48688	0.9
626.49121	1.4
643.25061	100.0
644.25256	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01849	4.7
65.03918	7.1
66.99361	0.8
67.05479	4.9
69.03396	3.2
69.07035	1.6
70.73736	0.9
71.01332	1.2
78.04682	1.6
79.05460	10.1
81.03381	4.9
81.07027	5.7
82.04159	1.1
82.06551	1.6
83.04950	0.7
85.02887	8.4
89.67130	0.7
91.05450	11.3
92.04966	0.8
93.03376	3.1
93.07005	5.3
94.06537	9.0
95.04963	8.4
95.07302	4.0
95.08569	1.4
96.08100	8.5
96.19505	0.7
97.06488	4.2
103.05428	21.1
105.03350	1.9
105.04472	1.0
105.06997	10.7
106.04118	1.1
106.06521	0.8
107.04929	13.3
107.08567	1.5
108.04437	2.9
108.08083	10.2
108.42210	0.9
109.06492	3.4
110.03625	4.3
110.09641	13.7
110.52115	0.7
111.04432	1.5
115.05428	8.4
116.04945	3.2
117.06975	7.5
118.04117	4.9
119.04894	1.4
119.08551	1.8
120.04449	6.5
120.08060	11.1
121.06448	4.0
122.03586	1.5
122.06017	5.0
123.04370	11.1
123.06736	1.0
124.05150	4.4
124.07541	9.0
125.05952	4.9
127.05417	0.9
128.06224	1.1
129.06966	3.5
130.04070	1.3
131.04887	21.9
131.08501	1.1
131.25577	0.8
132.05644	1.1
133.02800	3.7
133.06447	9.3
133.10097	1.3
134.03592	0.9
134.05980	4.3
135.04373	1.0
135.08029	1.7
136.07527	10.5
137.05940	9.0
138.03059	1.6
138.09096	12.0
139.07515	1.1
140.04628	1.4
142.02614	1.2
143.04863	1.4
143.05942	0.8
144.04407	8.8
144.05675	3.6
144.08072	0.8
144.72885	0.8
145.06427	9.5
146.03593	0.8
146.04944	0.8
146.05914	6.6
146.06989	1.0
147.04367	1.4
147.08034	1.3
148.05132	12.1
148.07573	3.8
149.05954	2.9
151.03831	4.7
151.07536	3.7
152.04639	1.4
152.07045	1.2
153.01820	1.6
153.05399	6.2
155.05980	1.1
155.07068	1.6
156.05632	1.1
159.04437	0.8
160.03876	4.0
161.05946	9.0
162.05461	5.1
163.03839	3.3
163.07487	23.2
164.07011	1.0
165.05408	7.4
165.08989	1.1
166.08588	10.1
167.06975	99.2
171.06464	7.4
172.03862	27.8
173.05911	12.9
175.03938	1.1
175.07481	4.0
176.04689	3.2
176.06999	4.3
177.05444	3.2
177.08990	1.2
179.06984	1.6
180.07774	3.4
181.04890	100.0
182.09665	1.7
183.09142	1.5
187.07500	3.3
190.04890	22.6
191.06967	70.1
193.04929	3.1
193.08571	3.3
195.06488	1.2
197.10750	1.9
199.08546	1.0
199.12228	4.0
201.05331	0.9
203.06999	3.3
204.06496	32.3
205.08559	3.1
207.06458	4.5
207.08185	0.9
207.10091	1.4
208.07259	5.0
209.08075	1.5
210.09200	1.3
211.08623	4.0
212.09436	3.0
214.10873	0.8
217.08473	1.2
219.08159	1.4
219.10132	4.1
221.08047	1.2
223.08568	0.9
224.09315	1.2
225.07811	8.6
225.09912	8.3
225.13960	0.9
226.08110	1.4
226.10745	1.1
227.11681	20.5
229.08536	1.3
233.08022	6.0
235.09700	5.7
236.09451	1.8
237.10013	4.2
238.10945	1.6
239.11642	4.7
241.09650	1.5
241.13434	0.9
249.10040	3.3
250.11044	0.9
251.11713	4.5
252.08815	1.0
253.09549	7.1
255.11320	1.4
257.12677	0.9
263.09091	12.3
263.11566	1.5
264.08813	4.3
265.09567	1.6
267.10583	1.6
269.12762	18.9
271.10651	10.5
273.12244	5.2
277.09402	1.5
279.11050	3.4
281.12662	0.8
283.10739	5.2
284.11435	4.5
285.12238	5.2
287.13754	15.4
289.09576	1.2
295.10498	1.9
297.03860	5.1
297.12338	7.4
301.12552	1.1
302.12894	1.1
307.09772	1.0
313.13458	2.2
314.12933	2.9
316.14383	2.8
321.12122	0.9
323.10068	8.2
325.11703	16.9
326.16806	1.3
327.13715	1.7
328.10562	4.3
328.14215	1.5
330.15802	1.9
331.16745	1.1
339.13940	0.9
340.14505	1.0
341.11719	1.4
342.12320	8.2
342.15952	1.3
343.12885	9.7
344.13675	1.3
346.08890	0.9
353.12698	1.2
355.13184	3.8
356.13950	7.6
357.13968	8.4
358.15372	4.5
367.12167	1.6
370.11285	1.0
370.15387	5.3
371.14890	1.1
378.18124	1.1
380.13812	0.9
382.11829	4.2
383.12457	3.4
384.13315	5.1
385.12759	8.0
386.14429	1.7
386.18579	4.1
387.14383	4.8
390.17941	3.5
390.25842	0.8
398.14801	19.5
399.15610	25.2
400.16568	1.7
402.18295	1.1
404.15793	5.9
414.18195	1.7
416.15958	15.1
417.15280	21.7
422.16495	1.5
428.15851	1.8
430.17142	3.6
440.16061	3.8
441.14395	1.0
446.17041	9.7
458.16983	28.9
478.19843	1.1
490.19348	5.8
538.67371	0.9
567.25269	1.2
569.23492	6.7
593.24054	6.5
611.24750	63.2
613.22406	1.3
626.24756	1.4
643.26654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71387	1.0
53.00277	1.2
55.05491	2.8
57.07058	37.2
60.85284	1.2
66.37249	1.1
67.05505	1.1
67.30265	1.0
69.07048	4.8
71.08607	26.9
73.06526	7.3
83.08604	1.7
85.10162	15.4
87.04451	2.9
89.05997	67.0
107.06989	1.2
117.09135	2.0
121.19517	1.1
130.08598	1.2
133.08537	23.9
141.16499	1.2
149.03181	1.2
174.57071	1.3
177.11140	10.4
203.57794	1.3
205.17360	1.3
299.29385	4.9
332.69958	1.5
343.31866	2.3
391.70285	1.3
415.25351	2.0
441.73157	1.3
625.48901	9.5
642.51483	4.5
643.25079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.01831	0.3
57.03415	0.3
64.24540	0.3
64.70049	0.3
65.03921	3.1
67.05457	1.2
67.95615	0.2
69.03398	0.6
69.06994	0.3
71.02924	0.3
74.69780	0.2
76.47819	0.3
78.04678	3.4
79.05454	2.8
81.03378	0.7
81.07017	1.3
82.04172	0.3
85.02895	2.2
86.42039	0.3
91.05439	3.4
91.62840	0.3
93.03345	0.4
93.06990	1.2
95.04905	2.1
95.08526	0.4
97.02843	0.6
97.06489	0.7
103.05442	2.5
105.04502	0.4
105.07005	0.4
106.04115	1.7
107.04920	2.8
109.10120	0.3
110.03627	1.6
111.04391	1.6
115.05401	5.7
117.03285	0.5
117.06973	9.2
119.08526	0.7
121.06462	2.8
121.10039	0.3
123.04392	8.1
124.05195	3.1
125.05928	1.5
127.05371	1.5
129.06853	0.4
130.04059	0.4
131.04874	2.0
132.05650	0.3
133.06427	0.4
133.10106	0.3
135.04356	0.5
137.05902	2.6
138.03001	0.5
140.04636	0.5
142.02568	0.4
143.04858	0.5
144.05588	0.3
145.02773	1.4
145.06448	15.4
147.04335	0.4
147.08037	0.6
148.05127	0.5
149.05945	2.6
151.03896	2.6
151.07524	0.4
152.04633	2.6
153.05373	1.7
155.05983	5.4
158.73747	0.3
159.04391	0.6
161.05893	0.4
163.03850	1.8
163.07532	0.4
165.05414	0.6
167.06979	100.0
171.06413	2.5
173.05920	17.9
175.07404	0.7
177.05408	3.9
179.06979	0.3
181.04897	35.4
191.06924	1.4
201.05341	0.3
203.06973	1.3
205.08533	4.2
209.08093	0.5
212.84129	0.3
213.05472	0.3
233.07976	3.5
235.09564	4.0
241.08479	0.3
265.08624	0.4
268.72989	0.3
282.08810	0.6
293.07956	0.5
297.03970	0.4
297.11182	0.4
310.08038	0.5
325.10571	0.5
326.11252	0.6
357.13162	3.4
385.12680	12.1
387.14136	3.3
417.06406	0.6
417.15308	14.8
643.23645	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	641.2957
Annotation	Crooksiine
Peak:m/z	Relative Intensity
54.33796	0.2
55.31432	0.2
64.32529	0.3
67.05475	0.3
90.39153	0.3
128.85635	0.2
142.26920	0.2
145.20250	0.3
145.59117	0.3
192.89809	0.3
197.10783	0.3
314.12778	0.3
377.17596	0.6
379.19031	1.1
380.19650	0.3
390.17978	0.4
391.14645	0.3
391.19125	1.7
392.19965	1.4
393.20786	2.1
394.21405	0.6
395.22168	0.6
399.43228	0.3
405.16318	2.7
406.17740	1.3
406.22147	0.5
407.17795	0.7
407.22620	4.8
408.23065	0.5
418.17523	0.5
419.17984	3.7
419.23221	0.6
420.18848	2.9
421.15741	0.4
421.20166	6.7
422.20615	0.3
423.21790	1.5
433.20044	6.0
434.21155	5.4
435.21744	9.3
436.22900	2.2
447.21759	1.7
448.17957	0.4
449.19421	9.6
450.19937	1.1
451.21136	0.5
453.22778	0.3
461.18976	0.6
463.21109	3.5
464.21960	2.1
465.19327	1.3
467.24420	1.2
468.25055	0.6
476.21747	0.5
477.22824	1.2
479.20331	1.1
480.21616	0.5
481.21930	2.4
489.22910	0.3
493.22556	2.1
494.22903	3.8
495.23605	4.4
507.23669	1.9
509.25348	0.4
521.25482	12.2
522.25690	0.4
523.26715	1.2
524.02985	0.3
526.25439	0.5
535.23334	0.4
536.23462	0.3
539.23230	1.1
542.80798	0.3
549.24390	0.5
550.25861	0.5
553.27362	0.4
563.26117	1.5
567.25574	0.4
581.27478	22.5
582.28046	1.8
609.26508	0.3
613.30505	0.4
641.29474	100.0
642.29810	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	641.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10845	1.4
67.05479	2.5
69.07027	2.2
79.05478	2.4
83.45509	1.7
87.23402	1.6
93.06982	2.0
97.57794	1.6
121.10085	2.0
155.88148	1.7
171.04134	1.5
173.94466	2.0
197.87901	1.8
244.96971	1.8
248.79797	1.6
261.97961	1.6
333.15598	1.7
391.18942	2.0
405.16803	3.1
407.22375	3.1
421.20090	4.1
433.20142	3.4
434.20688	6.3
435.21716	9.1
447.69016	1.7
449.19299	16.3
463.21057	2.2
494.22894	2.9
507.23788	2.0
521.25433	7.0
535.23383	3.4
556.80664	1.9
581.27240	36.6
595.25531	3.4
641.29449	100.0
642.29694	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	642.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11483	0.1
58.17157	0.1
59.71199	0.1
60.31515	0.1
62.33054	0.2
70.06548	0.2
72.25611	0.2
80.04987	1.4
85.02861	0.3
87.11511	0.2
96.04443	1.0
98.97539	0.2
112.07573	0.3
119.04866	0.7
120.08076	0.2
123.04404	0.2
124.03909	100.0
125.00919	0.2
147.04379	2.5
148.04776	0.2
158.08078	0.2
225.11484	0.2
255.15823	0.2
286.09143	1.1
588.99127	0.2
602.96399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67963	1.0
55.05482	1.7
56.96261	1.4
56.96542	30.2
60.39401	1.0
62.23410	1.2
63.47881	1.0
67.05477	2.5
69.07037	2.7
69.13873	1.1
79.05448	2.0
81.07034	2.9
83.08578	1.8
91.05476	2.5
92.08695	1.2
93.06232	1.0
93.06996	2.1
94.12127	1.1
95.04901	1.6
95.08568	6.4
98.97541	36.0
105.07008	6.2
107.08541	6.7
109.10124	4.5
111.08051	1.5
116.98582	41.5
119.08509	12.8
121.10101	2.3
131.08539	2.6
133.10063	7.3
134.99606	37.2
135.07985	1.5
145.10078	5.0
147.11633	2.4
153.00685	6.3
157.10017	1.6
159.11601	4.8
161.13213	2.1
173.13211	2.4
175.14754	1.7
185.13342	1.6
187.14771	6.7
189.16293	2.5
201.16385	2.2
203.14189	1.7
251.46274	1.2
259.03027	1.3
261.11459	1.6
263.09525	1.6
277.10941	1.6
279.12634	5.2
293.14011	1.8
295.11966	1.5
297.13788	2.1
307.12152	1.6
325.12982	5.6
339.14618	5.3
343.14108	6.9
357.15707	1.6
447.25607	4.9
449.27103	2.9
465.26208	4.2
467.28726	1.6
483.27646	1.7
485.29181	1.6
491.28091	6.4
493.25998	9.8
509.29092	2.9
511.27100	20.9
527.30090	2.1
529.28107	25.3
541.28296	5.6
547.29236	4.9
553.27637	1.4
559.29138	14.4
571.28308	1.7
577.30365	9.0
601.30261	41.3
619.31293	100.0
637.32672	12.7
642.32623	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	641.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.7
55.01849	2.8
55.05489	11.5
57.03421	3.2
57.07053	1.5
57.70224	1.3
58.68071	1.7
64.09633	1.7
65.03914	2.8
66.49467	1.4
67.05479	24.9
68.05821	1.8
69.03396	10.2
69.07035	8.9
69.37845	1.5
70.06550	1.8
71.04976	1.9
79.05464	22.5
81.03378	29.5
81.07014	27.5
82.03708	2.3
83.04959	7.4
83.08569	3.2
85.02865	12.8
85.06522	1.6
85.46325	1.7
86.09702	2.2
91.05443	33.0
92.05804	1.8
92.77093	1.5
93.07001	51.2
95.04942	12.8
95.08570	26.8
97.02843	7.7
97.06505	2.5
97.10108	6.7
99.04390	1.8
105.06966	17.3
107.04908	10.2
107.08556	16.0
107.58710	1.4
108.05646	1.7
109.02833	3.2
109.06467	3.3
109.10110	18.2
111.04388	2.9
111.08060	1.8
111.79730	1.5
112.15009	1.6
115.05390	2.5
117.06975	12.7
119.04890	13.3
119.08537	22.6
121.06451	12.2
121.10103	35.1
121.72552	1.5
122.03606	6.4
123.08028	18.3
125.09559	2.0
127.03857	4.1
127.51955	1.5
128.06168	2.4
129.06963	7.6
131.04884	6.7
131.08496	11.5
132.08867	1.8
133.06467	4.1
133.10081	3.3
135.08023	9.4
137.05936	92.6
137.09540	2.8
145.02853	2.9
145.06416	12.0
145.10027	3.5
146.03607	2.2
147.08031	8.9
147.11716	2.8
148.11993	1.9
149.05956	2.2
149.09596	14.5
150.89493	1.6
151.03928	2.3
151.07504	100.0
153.01767	27.3
155.08565	1.7
157.06383	7.1
157.10010	3.1
159.07979	3.7
159.11659	2.1
161.05942	14.9
161.09534	2.5
162.06673	2.2
163.03789	4.1
163.07492	11.7
165.06955	3.9
165.09059	10.3
167.07014	2.5
167.08504	3.8
167.10616	2.4
169.06496	2.8
171.07994	2.6
173.06013	1.9
173.09502	2.4
174.06683	2.9
174.85503	1.8
175.07466	18.9
177.05421	6.8
177.09055	22.1
179.03461	2.4
181.06418	3.9
183.07983	3.7
187.07448	13.1
188.08192	1.8
189.09079	14.1
191.06978	2.1
191.10620	4.0
193.12192	3.3
194.07210	2.3
195.08003	8.8
195.10103	54.9
197.09549	3.5
198.72920	1.7
199.07535	2.4
201.09058	19.7
202.09724	3.2
203.10638	8.3
205.08510	2.8
205.11992	1.9
207.08018	2.1
209.09523	9.5
211.13237	3.3
213.09055	7.8
215.10593	10.1
217.08524	1.9
223.11111	3.1
225.09009	7.1
227.04295	1.8
227.10695	12.5
229.12137	6.6
233.09467	2.6
235.07433	3.0
239.10643	6.9
241.08536	2.1
241.12137	3.6
251.06990	2.0
251.10516	2.8
253.12166	2.8
255.10072	2.0
255.13680	2.7
265.08435	2.4
265.11975	2.0
269.15222	4.2
271.02335	1.8
274.09756	2.5
277.08398	2.6
279.10361	2.0
283.13025	2.5
285.14734	2.3
289.08426	1.9
291.10107	2.2
297.03778	3.9
297.11298	2.6
297.14679	6.9
299.12793	2.9
305.11472	3.5
311.12610	3.7
329.11533	2.3
332.14981	1.7
343.15042	6.8
349.14044	2.8
379.15182	2.8
380.05267	1.8
394.69144	1.8
406.06653	14.8
420.04550	3.2
447.21542	2.3
451.24728	2.8
461.22900	3.0
479.09619	23.6
479.24094	27.2
587.26471	2.4
597.99890	1.9
605.27032	2.3
623.28821	3.2
641.14819	2.5
641.31158	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	641.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.3
56.96548	5.4
67.05479	5.5
69.07053	2.2
78.42585	2.1
79.05460	5.3
85.02862	4.0
91.05453	10.7
91.53860	2.3
93.06992	15.3
94.06559	11.7
95.04905	5.1
95.07323	4.0
95.08509	3.9
96.08095	13.3
97.14278	2.5
103.89870	2.3
104.76801	2.3
105.06955	3.0
108.08090	18.4
110.09648	23.8
119.08515	3.6
120.08054	16.8
122.05965	5.5
136.07513	11.3
138.09077	22.0
145.10078	2.7
146.06087	2.2
147.11569	2.6
148.07475	4.0
166.08617	17.3
211.08652	3.1
221.10728	3.8
234.08003	2.2
247.08777	3.0
249.10179	30.6
261.10153	3.7
269.04370	2.7
277.09634	16.1
285.09976	11.5
291.11224	2.7
293.09232	2.9
297.03885	9.6
309.12228	5.0
314.12628	3.5
323.14377	3.6
326.12805	4.8
336.14627	2.5
338.16290	3.3
340.10675	3.7
340.14343	5.6
342.12167	4.2
353.11551	5.0
354.12228	13.7
356.13831	5.5
364.14224	9.1
365.15271	2.6
366.11862	4.3
366.15991	4.4
367.12952	5.0
368.13800	21.5
369.14581	13.8
370.15295	10.0
376.08792	2.9
382.11481	10.6
382.15527	10.5
383.16522	2.8
384.17038	18.3
392.14041	3.7
394.15436	3.0
396.13245	11.7
397.13757	3.8
398.18680	13.6
400.16736	3.2
410.14706	16.7
412.16373	20.6
426.14307	5.8
428.15866	5.4
438.14307	37.9
442.17529	4.0
456.15448	65.4
458.17032	10.7
470.16806	3.0
476.17923	39.5
488.17905	22.7
591.22076	12.6
606.49860	3.1
609.23267	30.0
623.24908	29.8
641.25830	100.0
641.35870	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	640.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	41.5
57.03411	15.8
57.07064	78.5
58.74328	5.9
59.75471	6.7
62.30044	6.8
63.75188	7.2
67.05477	86.3
68.60032	6.3
69.07035	51.2
71.08601	48.9
76.55578	6.5
79.05461	68.5
79.65238	8.0
81.07022	100.0
83.04972	9.3
83.08592	16.8
85.10170	10.4
91.05441	45.3
93.07024	67.7
95.04964	9.8
95.08572	56.3
97.10108	11.7
97.66273	6.9
105.06996	38.4
107.08556	16.0
109.10126	31.1
117.06988	11.7
117.47623	8.6
119.08504	15.9
121.10098	16.5
131.08536	14.6
133.10075	12.0
135.11610	12.9
140.33514	8.3
145.10109	10.5
147.11685	10.2
149.13141	12.0
186.15689	7.1
275.19904	14.0
313.27176	71.7
337.01672	7.8
349.23724	15.2
435.50339	7.7
493.38785	12.8
507.40265	93.9
587.46075	13.3
632.71039	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	641.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
67.37869	0.2
68.99728	0.3
70.73309	0.2
74.00167	0.2
80.29755	0.2
83.04930	0.5
101.61985	0.2
111.04440	0.2
119.04842	0.9
123.04396	4.0
147.04372	2.5
150.17406	0.2
160.32463	0.3
167.04839	0.2
195.04332	0.9
199.03731	0.3
213.05424	6.6
217.04953	0.9
223.03911	0.5
227.03273	1.0
241.04892	5.3
243.06430	1.4
253.04652	0.3
259.05951	3.8
269.04340	20.3
271.05908	10.8
272.06430	0.3
283.05978	0.3
285.03839	1.6
293.04324	0.4
297.03842	100.0
298.04202	0.9
301.06934	0.4
309.03830	2.8
311.05286	1.0
327.04813	2.8
361.52078	0.2
405.09442	0.2
413.25089	0.2
423.10535	1.4
431.07556	2.4
443.09650	0.5
449.08511	3.2
467.09406	0.2
489.10120	15.4
595.14209	0.4
641.14771	17.5
642.14539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.4
55.92004	0.3
56.05000	0.3
57.07047	0.8
58.06580	6.0
66.29713	0.3
69.07042	0.6
71.45848	0.4
71.98960	0.4
72.08122	12.3
73.06515	2.2
81.07040	0.8
82.09802	0.4
83.04953	1.9
86.09673	25.0
98.06053	0.4
100.11215	100.0
101.05969	2.5
140.14291	4.3
146.11731	2.3
154.12227	1.8
154.15820	0.5
172.13295	3.2
181.19975	0.4
199.36246	0.4
200.16432	2.1
211.14386	0.5
214.14220	0.6
228.15874	7.6
285.21536	2.6
299.23196	6.5
327.22662	9.0
440.31100	1.8
458.31921	3.0
484.33401	0.6
509.43259	0.5
526.34460	0.6
611.43524	23.1
612.43848	0.6
639.43158	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	640.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50255	0.1
54.81403	0.1
57.03406	0.1
60.37124	0.1
69.03395	0.1
73.02845	0.1
78.36398	0.1
82.21990	0.1
85.02853	0.1
94.04037	0.1
95.98055	0.1
97.02872	0.1
117.03389	0.1
119.03538	0.3
119.04884	0.1
135.04391	0.1
136.06142	100.0
137.04668	0.1
137.05621	0.2
137.06636	1.3
145.02704	0.1
147.04323	0.1
163.03880	1.2
174.81104	0.1
202.70767	0.1
211.14162	0.1
218.58354	0.1
268.10306	16.3
269.10641	0.6
270.10602	0.2
518.68555	0.1
575.70862	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	640.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80474	1.3
50.83569	1.3
51.93781	1.2
55.05490	3.9
56.96547	36.4
58.23206	1.7
59.73440	1.6
67.05479	8.1
69.07030	9.2
71.04963	1.9
71.17146	1.7
71.95232	1.9
79.05459	6.1
81.03377	8.1
81.07041	13.2
83.04968	2.8
83.08604	3.0
85.02855	2.7
85.06491	2.0
91.05446	9.5
93.07005	8.6
93.21362	1.7
95.04936	1.5
95.08572	11.0
95.89973	1.6
97.06487	2.1
98.97554	39.4
105.06988	10.3
107.04918	1.6
107.08568	8.2
109.06491	1.8
109.10157	7.5
116.98581	41.2
119.08539	13.4
121.10026	5.6
131.08525	6.4
133.10077	7.7
134.99612	34.7
135.08067	1.9
135.11656	2.2
143.08559	2.6
145.10110	8.3
147.11678	7.1
151.07504	1.9
153.00682	11.3
157.10100	3.4
159.03246	3.3
159.11642	3.4
161.04744	2.4
161.13153	3.1
163.11143	1.8
169.10057	2.0
173.13182	3.2
177.04295	2.3
183.11649	2.0
185.04959	1.7
185.13193	3.2
187.14734	3.2
195.03314	1.7
201.12686	2.4
213.04315	8.2
227.05676	2.9
293.10464	2.8
295.11984	1.8
323.11581	1.8
351.63858	1.8
373.27145	1.8
373.81262	1.8
397.20438	3.3
405.35150	1.7
417.22897	3.3
445.23648	3.0
447.87170	1.8
459.26733	2.0
479.24808	7.7
483.27539	3.7
489.26370	3.6
491.24698	10.6
497.25000	2.1
507.27423	9.4
509.25378	15.7
525.28418	6.8
527.26538	29.4
533.27234	2.1
539.26074	15.8
545.27838	21.0
555.29236	7.6
557.27435	9.8
563.28259	1.8
575.28729	32.6
599.28711	20.2
617.29755	100.0
635.30627	9.6
640.31989	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	639.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	8.4
55.01845	4.3
55.05497	20.9
57.03409	10.0
61.02884	1.8
67.05481	30.2
69.03384	13.8
69.07047	15.7
71.04950	8.3
79.05459	32.0
81.03384	100.0
81.07018	36.4
83.04960	19.2
83.08596	24.7
85.02885	25.6
85.06486	3.6
86.56637	1.6
91.05444	42.4
92.05763	1.8
92.08694	2.3
93.02065	1.6
93.07001	31.4
95.04932	33.9
95.08562	15.2
97.02843	12.1
97.06511	2.9
97.10112	4.2
98.26919	1.6
99.04395	6.3
105.06982	33.1
105.39408	1.6
107.04945	15.6
107.08540	17.9
109.02869	17.2
109.06472	6.2
109.10100	10.1
111.04401	10.2
111.08024	9.1
116.20277	1.7
117.06965	7.1
119.04899	1.7
119.08515	18.9
121.06454	7.7
121.10104	14.8
123.04340	2.1
123.08017	3.2
123.11655	3.0
125.09567	4.1
127.03828	4.1
129.06958	13.3
131.08528	16.6
133.06454	3.9
133.10048	14.7
135.04385	2.7
135.08005	1.9
135.11642	6.5
145.10074	8.3
147.07970	3.0
147.11642	18.1
149.05898	1.8
149.09602	3.8
157.10115	13.4
163.03879	7.2
163.11092	3.1
165.12721	2.8
175.11093	14.0
181.12164	1.9
193.12161	29.0
211.13228	27.2
213.05351	2.1
215.34183	1.8
267.13379	1.6
267.15732	14.7
285.16843	3.5
301.14456	2.1
385.23587	2.9
393.19238	2.3
459.26996	10.6
477.28183	9.6
495.29034	8.3
585.29510	1.9
603.31006	6.9
621.31934	16.2
638.32117	1.8
639.32874	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	639.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.7
53.03928	9.2
55.01842	10.0
55.05497	30.1
57.03422	22.7
59.26378	1.7
59.54057	1.7
61.02895	8.3
65.03915	3.1
65.42873	1.7
65.82343	1.7
67.05154	2.9
67.05484	56.5
69.03400	19.8
69.07040	12.2
71.04961	9.2
73.02872	7.7
73.85590	1.9
75.29300	2.2
79.05464	59.1
81.03392	100.0
81.07030	56.8
82.46716	1.9
83.04955	34.5
83.08583	23.7
85.02875	24.4
85.06489	3.5
91.03898	2.1
91.04901	2.9
91.05452	76.4
92.09304	2.7
93.07012	43.2
95.04934	37.5
95.08582	23.3
97.02850	14.0
97.06499	8.1
97.10144	4.7
98.93765	1.8
99.04449	2.5
99.08033	2.2
102.97413	1.8
105.06302	2.1
105.06997	53.6
107.04922	19.6
107.08562	19.0
109.02843	7.5
109.06510	8.3
109.10116	13.9
111.04446	4.3
111.08051	10.4
111.94890	1.8
115.05457	2.5
117.06975	12.9
119.08537	39.3
121.06425	4.5
121.10110	9.5
123.08044	4.2
123.11661	3.4
127.03886	8.6
127.07401	2.2
129.05467	2.2
129.06955	22.7
131.08517	26.2
133.06448	4.5
133.10101	27.6
135.11668	7.8
137.09515	3.5
142.07706	4.2
143.08521	6.8
145.10100	15.1
147.07993	9.1
147.11650	22.9
149.09595	8.3
155.08479	2.6
157.10077	19.8
159.11626	2.9
161.13271	2.6
163.03833	2.2
163.11151	9.2
165.09081	9.3
165.12747	3.5
171.11624	2.3
175.11075	14.5
189.08922	2.7
192.06305	2.0
193.00127	2.1
193.12184	25.3
197.13011	2.5
211.13155	16.5
255.13940	2.0
257.64801	2.3
267.15817	52.6
283.15402	3.3
285.16867	11.4
403.66177	2.7
413.17441	3.1
429.20972	4.0
435.32391	2.6
436.32953	2.2
441.33334	2.9
459.27344	51.7
459.33902	5.6
467.18423	3.0
477.28418	19.5
621.32208	17.9
639.29504	68.1
640.30176	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.6
53.03925	6.0
54.80513	0.4
55.01857	7.4
55.05241	0.9
55.05494	20.5
56.86987	0.4
57.03151	0.5
57.03418	11.5
58.50397	0.4
59.04977	0.4
59.34143	0.5
65.03907	1.9
67.05480	25.5
69.03397	13.8
69.07040	7.9
71.01326	0.8
71.04971	6.6
79.05001	1.0
79.05460	27.3
81.03387	100.0
81.07024	32.9
83.04951	18.6
83.08591	23.7
85.02875	25.6
85.06514	1.8
86.22131	0.5
87.04413	0.4
91.05445	31.7
92.09380	1.1
93.07001	21.5
95.04928	30.5
95.08575	11.2
97.02858	12.4
97.06492	5.9
97.10136	8.5
99.04414	4.0
99.08058	1.9
103.03910	0.7
103.05435	1.0
105.06993	28.3
107.04927	10.4
107.08552	12.4
109.02843	18.0
109.06498	5.2
109.10121	4.8
111.04411	11.0
111.08047	11.0
113.05988	1.2
115.05418	1.8
116.06128	0.5
117.06983	5.8
119.04919	2.0
119.08537	22.3
121.06470	5.4
121.10092	11.4
123.04399	3.0
123.08033	3.4
123.11691	2.0
125.05991	0.7
125.09581	5.7
127.03871	5.1
128.06180	1.1
129.05501	0.6
129.06963	12.8
131.04898	1.1
131.08524	12.9
133.06441	5.0
133.10100	9.1
135.04369	0.9
135.08031	2.1
135.11662	2.9
137.06026	1.6
137.09621	2.3
141.06985	0.8
142.07765	3.2
143.08528	2.4
145.06454	2.8
145.10112	5.1
147.04454	1.0
147.08002	4.1
147.11642	18.8
147.12776	0.8
149.05994	2.2
149.09570	7.3
151.33150	0.5
153.09076	1.1
153.12743	2.8
155.08611	0.9
157.06439	0.9
157.10086	12.6
159.11681	0.7
161.05933	1.2
163.03903	0.6
163.11102	5.1
165.05444	0.6
165.12755	3.4
165.18042	0.4
169.10039	0.7
171.04333	0.5
171.08003	0.6
171.11584	1.7
173.04425	2.4
173.09648	1.2
175.07550	0.7
175.11104	12.7
179.00276	0.5
181.10117	0.8
181.12228	2.7
187.11345	0.6
189.05386	1.1
189.11188	0.8
189.12761	1.1
191.10651	2.7
193.12183	34.3
199.11093	0.8
211.13223	34.0
213.12845	0.6
227.12743	2.8
233.15195	0.7
235.13222	0.5
245.15324	0.7
249.14799	1.0
255.13756	0.7
257.15231	0.6
259.13208	1.0
267.15796	16.4
273.14832	2.8
277.14285	0.8
283.15363	2.1
285.10095	0.7
285.16943	8.4
291.16061	0.5
301.14069	3.7
309.17099	0.6
313.16107	0.7
319.15228	2.2
337.16428	2.0
355.17441	2.9
367.22681	2.0
375.18250	0.6
385.23618	3.2
393.18924	2.8
403.24796	0.9
411.19977	3.4
429.20917	3.5
441.26663	0.8
444.34357	0.6
459.27243	10.4
477.28284	14.5
495.29346	15.7
519.28918	1.0
543.29285	0.7
561.30389	2.0
573.30255	1.0
585.30402	2.1
603.31409	6.6
621.32471	14.8
639.33563	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67004	0.6
53.03926	8.5
55.01850	6.3
55.05497	21.1
57.03415	14.6
59.04977	0.8
65.03927	1.3
67.05481	31.7
69.03400	12.6
69.07040	7.1
71.04967	7.3
71.27724	0.7
73.02881	0.9
79.05459	29.8
81.03385	100.0
81.07021	30.9
81.68159	1.0
83.04948	22.5
83.08593	23.0
85.02871	27.7
85.06534	1.5
91.05447	34.7
91.06010	1.6
93.07015	23.1
95.04928	31.3
95.08566	15.1
97.02856	12.2
97.06499	5.2
97.10130	9.2
99.04407	3.7
99.08077	1.8
105.07004	26.9
107.04906	12.1
107.08565	15.3
109.02837	17.6
109.06508	6.7
109.10113	5.0
111.04405	9.9
111.08047	9.8
113.06004	1.1
115.05393	1.0
117.06976	5.4
119.04881	1.0
119.08546	23.6
121.02899	0.9
121.06461	6.2
121.10109	14.1
123.04326	3.0
123.08038	3.9
123.11678	3.7
125.02317	1.2
125.05957	0.9
125.09597	5.9
127.03865	5.5
129.05428	1.9
129.06963	14.5
131.08528	14.7
131.78348	0.8
133.06444	5.1
133.10103	9.8
135.07983	1.2
135.11658	2.1
137.09579	2.1
141.06995	1.4
142.07773	1.9
143.20189	0.9
145.06422	2.1
145.10109	4.2
147.04381	1.2
147.08012	3.7
147.11629	16.3
149.05922	1.6
149.09563	6.7
153.12737	1.5
157.06424	1.3
157.10085	14.8
161.05899	0.9
161.09570	1.5
163.11105	2.1
165.09091	3.6
165.12730	4.6
169.09950	1.0
173.09583	1.3
175.11093	13.9
181.12164	3.3
189.05264	1.3
191.10576	2.0
193.12155	30.6
211.13210	27.2
245.07716	1.0
267.15802	16.8
273.14786	3.3
283.15298	1.2
285.10031	1.9
285.16870	8.7
287.05423	4.1
289.37399	1.4
319.15173	1.7
355.17270	2.0
367.22729	1.0
385.23709	2.0
393.18625	2.0
411.19846	3.4
429.20770	1.9
459.27151	10.8
477.28278	15.2
495.29306	11.3
585.29816	3.4
603.31128	3.7
621.32544	12.6
639.23676	4.6
639.33429	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17389	2.7
59.89461	2.8
60.15055	3.3
81.07008	3.6
102.57296	3.4
391.18854	4.3
405.20139	5.6
407.22089	13.7
419.22079	5.3
421.23444	15.4
445.19742	5.6
459.21240	4.8
460.21619	4.5
465.22858	13.8
491.24405	5.4
503.24042	6.8
507.27417	7.2
520.23694	4.2
535.26379	7.0
537.24921	6.2
552.26904	17.0
579.25531	7.6
607.27429	6.1
621.27032	6.8
638.30377	56.4
639.28265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85021	3.6
54.81251	3.8
67.05441	4.1
71.48830	4.0
78.18453	3.7
79.05466	4.1
81.06986	5.3
117.09338	3.7
133.99338	3.5
187.20667	4.6
264.96921	4.5
377.17786	5.9
391.18933	30.2
403.19180	5.7
404.19516	5.3
405.20758	31.8
406.21341	17.1
419.22534	12.7
420.22760	10.0
421.23492	9.5
445.20456	4.9
446.33636	6.0
448.22400	6.1
449.23267	9.5
452.22061	29.1
459.21286	6.2
460.22171	23.3
462.20142	25.4
465.22650	7.2
475.21060	25.3
476.21878	17.5
477.22745	39.7
492.24789	4.8
503.24466	6.5
521.22083	7.9
535.26715	6.7
536.23730	40.0
552.26947	7.1
579.28320	5.3
622.27814	100.0
639.31445	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	639.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85021	3.6
54.81251	3.8
67.05441	4.1
71.48830	4.0
78.18453	3.7
79.05466	4.1
81.06986	5.3
117.09338	3.7
133.99338	3.5
187.20667	4.6
264.96921	4.5
377.17786	5.9
391.18933	30.2
403.19180	5.7
404.19516	5.3
405.20758	31.8
406.21341	17.1
419.22534	12.7
420.22760	10.0
421.23492	9.5
445.20456	4.9
446.33636	6.0
448.22400	6.1
449.23267	9.5
452.22061	29.1
459.21286	6.2
460.22171	23.3
462.20142	25.4
465.22650	7.2
475.21060	25.3
476.21878	17.5
477.22745	39.7
492.24789	4.8
503.24466	6.5
521.22083	7.9
535.26715	6.7
536.23730	40.0
552.26947	7.1
579.28320	5.3
622.27814	100.0
639.31445	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	639.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56639	0.3
64.79342	0.3
70.06564	93.1
85.02875	0.6
112.07565	100.0
112.39579	0.3
116.07047	29.6
140.07016	12.9
145.02995	0.3
158.08069	93.4
163.03831	0.5
188.41681	0.3
189.00745	0.3
320.13440	2.4
405.18970	0.4
498.14606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45475	0.6
69.07038	0.7
78.76465	0.6
90.71499	0.7
105.07030	0.9
119.08592	0.9
201.16435	0.7
203.18011	0.8
309.70767	0.7
377.17548	0.8
391.19043	1.0
393.20944	1.0
405.16803	3.0
406.17365	1.0
406.21890	1.0
407.22556	5.0
418.17508	1.3
419.18610	6.5
420.19025	1.0
421.20102	4.0
433.20102	15.1
434.20862	7.7
435.21649	8.4
437.24023	0.8
437.34058	0.9
438.34497	0.9
447.22223	1.2
449.19656	6.1
463.21313	3.4
464.22043	1.1
491.20398	1.5
492.21539	4.4
493.22128	5.6
507.23465	1.7
519.23340	1.0
520.24323	1.1
521.25653	9.1
537.22327	0.9
551.26874	1.4
579.25781	25.7
580.26880	1.4
581.26971	2.8
607.25623	3.7
638.26868	0.9
639.28003	100.0
639.40198	12.6
640.28625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.28
Annotation	Unknow
Peak:m/z	Relative Intensity
76.34413	0.4
94.79752	0.4
106.29057	0.5
115.85770	0.5
119.08599	0.6
126.89533	0.4
134.09540	0.6
155.94989	0.5
165.32707	0.4
204.06543	0.9
232.58937	0.5
237.10190	0.5
241.12636	0.4
251.11696	0.6
281.93591	0.5
302.13071	0.5
314.12842	0.7
328.14359	0.6
393.16934	1.0
405.16913	0.7
406.17825	1.1
407.18320	3.5
418.17535	0.6
419.18970	0.8
420.14911	0.6
420.19833	0.9
421.20395	7.1
422.20825	0.8
432.19516	0.8
433.20807	1.3
434.16968	0.9
435.18115	3.0
435.22809	0.8
436.22537	2.9
447.22412	0.9
448.18668	4.0
449.19626	12.0
450.20508	3.0
459.18039	0.7
461.19452	1.7
463.21231	6.1
464.22021	6.9
465.22775	0.8
473.19824	0.7
475.21082	3.2
477.18619	6.2
478.19873	2.8
489.19794	0.6
491.20691	1.1
492.20715	0.6
493.21994	2.2
495.23862	0.6
507.23853	0.7
509.25848	0.7
521.21606	0.7
523.23224	2.8
533.21533	0.7
535.23248	4.4
536.24438	0.9
537.21448	2.5
550.25751	1.0
551.26611	3.9
561.24689	3.9
564.23517	6.0
565.24182	2.3
579.25775	8.6
581.23590	0.6
595.25171	2.8
596.25793	0.9
621.26953	2.4
624.25488	5.1
638.27008	1.0
639.27917	100.0
640.28876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.2
55.01852	16.2
55.05494	29.1
56.61150	1.5
57.03419	11.5
57.07045	2.4
59.04971	2.0
61.02904	2.8
65.03885	2.7
67.05480	38.2
69.03405	21.5
69.07042	9.1
71.04958	10.6
79.05463	38.3
81.03388	100.0
81.07026	42.8
83.01315	3.4
83.04951	31.3
83.08592	20.0
85.02872	20.9
86.65436	1.5
91.05452	33.6
93.07009	36.9
95.04942	23.9
95.08588	13.8
97.02850	16.5
97.06509	13.5
97.10119	9.9
99.04425	4.0
101.02338	1.5
103.05460	2.0
105.06978	25.1
107.04917	12.6
107.08555	24.1
109.02811	14.0
109.06516	6.2
109.10107	11.7
111.04392	9.6
111.08076	11.6
113.06010	2.0
117.06973	10.4
119.04866	2.1
119.08533	23.0
121.06486	12.0
121.10100	18.0
123.04365	2.4
123.08011	8.1
123.11699	2.5
125.09580	9.3
127.03850	9.9
128.06157	2.1
129.06952	7.9
131.08496	14.0
133.06477	6.4
133.10094	14.7
135.04376	2.2
135.08002	3.6
135.11644	10.1
137.09560	1.9
141.06921	2.5
143.08574	3.3
145.06413	2.3
145.10091	14.2
147.04356	1.9
147.08015	7.9
147.11650	10.4
149.05911	1.9
149.09596	3.0
151.11165	2.7
153.12679	7.2
155.08458	2.1
157.10052	9.4
161.05925	1.8
161.09566	1.6
163.03639	1.8
163.11108	15.8
173.09534	2.7
173.13264	1.8
175.11107	2.9
177.09074	1.8
181.12173	3.0
185.09613	1.8
187.07538	1.9
187.11139	2.5
191.10632	2.7
193.12192	12.9
203.10951	1.6
205.12186	2.3
211.13165	14.4
227.12679	7.3
267.15771	3.8
270.90381	1.5
273.14816	2.8
283.15417	6.1
353.15964	1.7
355.17468	2.8
383.22012	3.8
401.22968	2.0
439.25873	2.0
440.26273	2.6
457.25748	7.3
475.26950	22.9
475.33261	3.9
493.27890	7.2
619.30664	6.3
637.31805	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.2
63.84660	0.1
69.03387	0.1
73.02885	0.1
85.02879	0.2
98.97523	0.1
99.04596	0.1
119.03503	0.4
136.06136	100.0
137.04553	0.3
137.06544	0.3
152.05644	0.5
163.03842	0.3
230.69655	0.1
237.02818	0.1
244.25342	0.1
268.10294	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	638.425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80494	1.3
55.01846	9.2
55.05493	39.9
56.79936	1.2
57.03421	1.8
58.71869	1.5
58.72234	1.1
61.73246	1.3
67.05476	11.2
68.05796	1.7
69.03408	3.4
69.07040	46.0
71.04960	1.4
79.05476	3.7
81.03403	3.2
81.07036	6.7
83.04944	2.2
83.08588	100.0
85.02865	7.4
91.05455	5.1
93.07013	15.4
95.08566	37.9
97.02840	2.2
99.04396	2.0
105.07003	8.6
107.04922	1.8
107.08544	17.0
109.10133	11.0
111.07324	2.9
111.08048	39.3
113.09611	3.8
119.08534	10.4
121.10112	12.6
123.08080	11.4
129.09068	82.1
131.08525	5.4
133.10091	10.4
135.11656	7.3
139.11119	7.2
143.08580	2.2
145.10101	7.3
147.11635	7.0
149.02296	13.3
149.13232	1.8
153.12695	3.5
157.10164	2.3
159.11684	6.6
161.13202	2.0
163.11127	2.4
173.13173	5.8
175.14687	1.7
177.12784	1.8
179.14275	3.3
185.13211	2.4
187.14861	2.2
189.12704	2.0
191.14268	1.5
193.04927	7.6
197.13231	2.4
199.14830	2.0
201.16344	1.6
203.14243	2.6
205.15862	3.5
208.92879	1.6
212.23555	1.8
217.15776	3.6
221.81377	1.6
224.24898	1.6
237.07494	2.6
285.22165	2.1
306.91833	1.6
313.25040	9.2
423.27063	2.5
423.32394	48.2
441.33459	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63056	0.3
52.20161	0.3
67.05476	0.4
73.69520	0.3
296.93893	0.4
354.86084	0.4
378.48209	0.4
388.16858	0.4
389.17593	0.7
400.16537	0.7
402.18375	0.8
403.19080	1.6
405.20837	0.6
415.19104	1.9
417.21268	3.1
419.22296	2.0
420.22888	0.8
429.16177	0.6
429.21213	1.5
430.17798	2.6
430.22452	0.7
431.17755	3.7
431.27710	0.5
432.18423	0.7
432.23157	2.0
433.20087	1.5
443.18042	2.6
444.18869	4.4
445.19843	12.3
446.21027	4.0
447.21701	2.0
457.20297	0.6
458.20917	11.0
459.21451	8.7
460.22543	7.4
461.19250	6.0
462.20328	0.8
472.22589	0.5
473.23431	1.5
475.20828	3.4
476.22192	2.0
477.22650	3.0
490.23691	0.9
491.23618	1.4
504.25421	0.8
505.22534	2.1
517.22400	2.2
518.22925	7.8
531.23688	1.5
533.25415	3.6
535.23059	3.0
545.25043	3.7
546.26495	2.6
549.24701	1.9
560.23431	0.5
573.24164	0.6
577.28113	3.3
592.26544	0.8
605.27295	17.6
606.27844	0.8
637.29999	100.0
638.30103	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	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62576	2.2
53.53906	2.1
54.37806	2.6
55.08305	2.4
56.65311	2.4
68.98837	3.0
92.09343	5.9
109.60567	3.3
111.38766	3.3
160.53226	3.2
254.76764	3.6
274.72693	4.0
294.18503	3.4
323.61151	3.6
326.34119	6.2
342.81866	2.8
348.54807	3.1
350.51279	2.9
405.20618	4.6
421.23526	4.2
429.20523	6.9
443.22580	3.4
444.22906	4.1
445.19739	4.2
459.21524	6.7
461.19482	3.4
472.22818	4.0
475.21039	3.5
476.22058	3.9
485.23254	13.6
503.24261	18.9
535.26910	25.1
545.25226	63.9
573.24500	14.8
605.27313	48.8
627.31506	3.5
637.30048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2643
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.58062	1.6
52.72840	1.4
60.37568	1.5
63.92627	1.7
66.93890	1.8
67.05458	3.6
71.06661	1.8
80.82230	2.1
84.28464	2.2
109.10117	3.1
149.30356	1.7
158.93925	1.9
181.87086	2.0
401.17270	2.2
407.22253	3.1
413.17886	2.2
414.18240	2.9
415.18951	8.4
421.19690	2.7
428.19952	3.8
429.20605	7.9
430.96909	2.1
443.17847	2.3
443.22852	3.2
444.18875	3.3
445.19772	2.4
456.19312	3.0
457.20099	3.6
458.20703	4.6
465.35226	2.7
471.21628	8.7
472.22400	3.0
473.19189	2.5
486.19995	3.2
487.20819	3.3
490.19858	2.7
499.21649	13.1
500.22070	2.5
503.24460	1.9
517.22235	3.1
531.23987	16.8
543.30115	2.0
559.23187	87.7
587.22382	19.4
613.87311	2.2
619.25281	100.0
637.26111	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	637.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70074	0.4
54.80753	0.6
55.74604	0.5
67.05474	3.1
73.47832	0.6
79.05457	0.7
81.07038	0.7
92.08586	1.1
95.08637	0.6
109.10139	1.3
142.01184	0.6
157.08812	0.6
158.93045	0.7
170.09650	0.7
209.10628	0.7
212.11121	0.7
251.11555	0.8
334.13788	0.7
375.16501	1.2
377.17566	2.5
378.18466	0.9
385.14252	1.0
390.18625	1.0
391.19022	3.4
392.19833	3.7
393.20715	4.2
399.15988	0.8
400.16772	2.7
401.17862	4.6
405.20670	3.6
406.21561	0.8
407.22113	9.4
413.17453	1.5
414.18256	3.6
415.19339	8.8
416.20160	1.0
419.18365	1.5
420.18933	0.7
421.19940	7.2
427.19388	0.9
428.19992	2.7
429.21097	9.1
430.21365	3.0
432.19537	0.8
435.21704	7.1
436.22629	1.2
441.17035	2.3
443.18207	3.1
443.22623	2.8
444.19299	4.1
445.20096	3.8
447.17316	1.6
448.18588	0.8
456.19315	1.1
457.20758	4.9
458.21014	3.8
459.17822	3.2
461.19641	1.1
463.21317	0.9
465.35641	3.2
467.19522	0.7
471.22238	7.1
472.23248	4.3
473.19647	6.3
474.20264	3.7
475.22232	1.0
484.19269	1.4
485.19421	4.3
486.20078	6.2
487.21475	1.5
489.18002	1.8
489.23795	2.2
490.19196	5.0
491.19849	1.7
499.21240	11.7
500.22073	2.9
503.24500	2.9
513.19055	7.2
514.19806	1.5
516.21472	1.5
517.22192	15.7
519.20154	1.0
521.25562	1.5
527.20685	3.1
528.21735	1.1
529.22168	0.9
531.24335	11.3
543.23950	1.1
545.21661	1.3
549.24603	7.8
559.23236	62.4
577.24231	2.9
587.22723	11.6
591.26080	2.7
605.23712	4.2
619.25317	58.6
620.25452	1.0
637.26385	100.0
638.26849	2.7
656.30750	0.9
668.06006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96865	1.1
53.03926	3.0
55.01846	2.5
55.04619	1.3
55.05495	24.4
57.03424	23.1
57.22843	1.4
59.04971	2.6
61.02903	8.4
61.03270	1.2
63.19498	1.4
65.03901	1.4
67.05483	100.0
69.03400	11.3
69.07043	12.6
69.53617	1.5
71.04967	9.8
73.02885	3.8
79.05466	32.2
81.03391	56.6
81.07025	63.1
83.04958	13.4
83.08595	23.4
85.02880	32.7
85.06522	3.4
87.04459	1.9
89.06001	3.1
91.03916	2.6
91.05441	36.1
92.05814	1.7
93.07003	37.2
94.07166	1.6
95.04932	22.7
95.08031	2.0
95.08576	35.4
97.02858	18.1
97.06482	3.9
97.10146	2.7
99.04404	2.0
105.07005	28.0
106.07325	2.0
107.04912	7.2
107.08563	21.8
109.02821	2.2
109.06483	7.5
109.10125	82.0
109.10880	3.3
111.04424	3.8
111.08037	10.2
113.06025	2.2
117.07016	2.6
119.08536	26.1
121.06469	8.1
121.10117	19.1
123.04413	2.2
123.08013	3.1
123.11665	20.2
125.09595	2.4
125.92753	1.5
127.03887	2.0
129.06964	13.4
130.92953	1.7
131.08502	13.6
133.06470	3.8
133.10072	17.8
135.04413	1.9
135.08060	2.8
135.11646	7.4
137.05928	3.1
137.09543	3.9
139.03821	2.0
144.79858	1.6
145.10092	8.4
147.07977	6.8
147.11638	17.5
149.09589	8.0
150.96355	1.6
151.11121	7.4
153.01779	21.4
155.10579	2.2
157.10039	13.7
159.11575	3.0
163.03839	11.3
163.11171	5.7
165.01782	2.5
169.12149	2.4
171.02838	2.0
173.11650	19.9
175.11130	10.4
183.02861	2.2
185.13237	1.5
189.16347	3.5
193.12129	31.2
195.02881	3.1
211.13219	26.5
229.14250	48.2
267.15829	9.8
277.14209	1.8
277.21518	7.0
285.16879	20.5
289.06955	25.9
295.15225	2.9
301.06976	3.5
335.25668	7.1
421.25818	12.1
439.17340	2.6
439.26657	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.3
57.07050	2.9
62.14634	0.7
65.92292	0.6
67.05473	7.9
69.07046	9.1
70.63212	0.7
79.05457	6.0
81.07025	15.6
83.08588	7.2
89.03872	4.8
91.05438	6.7
93.07008	13.9
95.07945	1.2
95.08566	27.7
97.10143	1.1
105.06991	18.1
107.04903	1.7
107.08559	24.2
109.06532	1.0
109.10116	15.0
117.03312	7.2
117.06956	1.6
119.04886	0.7
119.08540	33.5
121.02804	3.5
121.10100	19.3
123.11634	7.3
131.08473	6.2
133.10074	20.6
135.04379	21.3
135.11644	12.6
137.13197	2.9
143.08557	3.3
145.02786	16.4
145.03839	1.3
145.10059	12.7
147.04372	0.8
147.11636	15.4
149.13240	7.8
157.10092	3.1
158.10837	1.2
159.11653	12.1
161.13177	12.0
163.03844	100.0
163.14775	6.4
171.11661	1.7
173.13205	7.7
175.14748	12.9
175.16005	0.8
177.16301	9.2
181.04861	12.7
185.13121	1.2
187.14774	5.6
189.16324	21.1
191.17856	3.2
197.13113	1.1
199.14709	1.4
201.16319	23.7
203.17888	22.7
205.15863	0.9
207.17361	3.2
213.16331	7.0
215.17876	18.9
217.19539	1.1
219.17293	1.0
227.17921	0.9
229.19380	1.7
231.17407	1.2
235.16869	1.2
239.17920	0.8
241.19455	2.7
243.21030	3.1
247.16849	2.9
255.21037	1.5
259.16864	1.3
261.18341	5.6
269.22522	1.0
391.33325	5.7
394.28369	0.9
395.46146	0.9
409.34457	7.9
411.32291	4.6
437.33960	23.6
661.11597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.393
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05491	3.0
57.07055	0.4
62.31033	0.3
65.03917	0.9
67.05482	2.9
69.07043	3.1
69.73338	0.3
74.59984	0.3
79.05453	2.9
81.07030	7.5
83.04953	8.1
83.08569	1.5
91.05446	14.7
93.07009	7.8
95.04933	2.3
95.08573	13.7
97.06516	0.5
97.10128	0.8
99.26958	0.3
105.06995	9.9
107.08559	12.9
109.06483	0.6
109.10120	5.7
111.08023	0.9
117.06958	1.7
118.20343	0.3
119.04900	35.0
119.08533	13.6
121.10101	8.4
123.08034	1.9
123.11668	2.3
125.09551	1.3
129.06956	1.3
131.08525	5.1
133.10085	10.9
135.11653	3.7
143.08533	2.1
144.09293	0.6
145.10083	8.4
147.04369	100.0
147.11633	6.3
148.04720	0.5
149.13248	3.2
153.09077	0.5
157.10049	2.9
159.11638	8.2
161.13197	5.1
163.14723	2.5
165.05431	2.9
171.11638	1.5
173.13184	4.6
175.14789	4.1
177.16298	2.5
185.13237	0.6
187.14752	7.7
189.16310	9.8
191.14185	0.4
191.17900	2.2
197.13263	0.5
199.14728	1.8
201.16312	9.1
203.17914	3.7
205.15973	0.5
213.16351	3.1
215.17935	5.7
217.15781	1.6
219.17419	2.1
221.15314	0.4
227.17873	0.7
229.19452	0.6
231.17282	0.8
233.18993	0.7
235.16843	0.8
241.19507	1.7
247.16893	0.8
253.19418	0.4
261.18405	1.7
275.19916	0.8
325.28674	0.6
357.27612	0.5
364.98874	0.5
371.29227	0.6
389.31732	1.6
395.29190	0.8
407.32874	4.6
425.34149	0.8
435.32468	2.5
453.33484	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	635.393
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.77734	1.0
51.91171	1.1
55.05491	6.9
57.07053	1.5
67.05474	6.5
69.07031	5.5
78.65343	1.1
79.05453	2.6
80.49448	1.1
81.07021	12.7
83.08583	5.4
91.05450	14.0
92.09377	2.3
93.07015	17.3
95.08559	22.3
105.06963	15.4
107.08565	26.3
109.10128	11.7
111.45041	1.1
115.19790	1.2
117.06973	1.2
119.04906	30.1
119.08539	29.7
119.09325	2.3
121.10112	16.4
123.11665	2.9
131.08533	11.2
133.10085	24.4
135.11650	8.8
137.09503	1.5
137.13239	2.0
143.08539	6.3
145.10094	16.0
147.04361	100.0
147.11626	12.8
149.13220	8.0
157.10080	8.8
158.10936	1.6
159.11681	13.2
161.13158	9.7
163.14796	7.8
165.05402	7.8
169.10056	1.8
170.10863	1.7
171.11667	3.1
173.13190	10.7
175.14775	7.9
177.16328	5.4
185.13184	11.9
186.13905	1.6
187.14755	15.6
189.16327	8.5
189.95728	1.2
191.17854	1.6
197.13127	2.0
199.14742	10.1
201.16280	16.1
203.14180	8.9
203.17894	5.0
205.15849	5.7
209.13214	1.5
211.14909	1.9
213.16299	6.3
215.17885	2.3
225.16272	1.6
227.17784	1.9
229.19418	1.5
247.16826	1.9
249.14824	5.2
253.19482	1.3
259.16809	1.3
269.69122	1.4
287.19830	1.5
389.32047	1.5
407.33023	13.6
425.33728	1.8
435.32550	9.3
453.33347	7.4
471.34552	1.6
617.38074	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65397	0.9
55.05493	12.2
57.07058	1.9
60.20052	1.0
60.90495	1.0
67.05483	11.7
69.07040	14.3
71.67971	1.0
71.68376	1.0
79.05453	8.7
81.07024	23.6
83.08588	9.9
90.16863	1.0
91.05440	20.9
92.08686	3.6
93.07005	26.6
95.04931	19.1
95.08567	40.2
97.10126	1.3
99.08065	2.8
105.06996	28.2
107.04919	41.3
107.08557	34.9
109.06457	1.8
109.10129	19.2
117.06976	5.5
119.04907	32.0
119.08540	54.8
121.06446	2.6
121.10093	29.0
123.04384	90.8
123.11657	11.4
129.06929	1.9
130.07756	1.4
131.08513	22.5
133.10085	28.9
133.63240	1.3
135.08038	1.4
135.11653	19.4
137.13190	1.9
143.07483	1.8
143.08490	14.0
144.09320	1.4
145.10080	35.8
147.04362	100.0
147.11632	22.2
149.05966	1.5
149.09570	2.2
149.13217	7.0
155.08450	1.8
156.09357	1.2
157.10095	12.8
159.11636	29.8
161.13170	12.8
163.07486	1.6
163.11113	1.6
163.14767	6.3
165.05421	28.9
169.10030	5.8
170.10843	2.4
171.11644	16.1
173.13190	21.6
175.14761	19.7
177.16345	8.8
182.10889	1.4
183.11641	7.3
184.12346	1.9
185.13184	18.8
187.14738	25.0
189.16293	14.6
191.14523	1.2
191.17896	2.0
193.15855	1.3
196.12300	1.5
197.13261	8.3
199.14764	24.2
201.12640	1.2
201.16302	32.4
203.14278	6.4
203.17892	8.1
205.15805	5.4
207.17314	1.9
209.13297	1.7
211.14786	10.7
213.16348	20.5
215.14197	1.7
215.17816	7.0
219.13914	1.3
219.17302	2.3
223.14752	1.6
225.16335	1.6
227.17899	1.7
229.19521	1.4
231.17401	1.7
237.16309	2.0
239.17786	4.5
245.15286	5.2
247.16867	1.5
251.17876	2.3
253.19406	4.5
255.21016	1.7
259.16824	6.8
265.19531	1.3
267.21127	4.6
279.21066	1.6
353.24652	1.7
389.31845	5.6
405.31448	10.6
407.33029	13.7
409.31012	9.4
425.33777	2.4
433.30844	4.3
435.32504	21.4
451.31635	2.5
453.33734	9.3
512.16949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.5
55.13894	1.5
55.47196	1.6
60.08261	1.5
61.97021	1.7
64.23265	1.7
64.33060	1.9
65.03952	1.6
65.11826	1.6
66.13000	1.5
67.05467	7.8
69.07041	7.9
79.05444	3.4
81.07024	15.9
83.08574	4.5
84.56013	1.8
91.05430	21.0
93.07004	18.8
95.04930	7.2
95.08569	25.7
104.23627	1.7
105.06998	21.9
106.73727	2.1
107.04906	11.5
107.08561	28.1
109.10125	13.5
119.04895	28.8
119.08538	34.2
120.05144	1.9
121.10085	19.8
123.04393	29.6
123.08003	3.2
123.11673	2.8
125.93972	1.8
129.06926	2.3
131.08510	12.0
133.10086	22.4
135.11656	15.6
137.13170	2.2
141.84489	1.9
143.08493	7.9
145.10060	23.5
146.10410	2.1
147.04347	100.0
147.11633	15.0
149.13251	7.7
155.08510	2.8
157.10062	10.1
159.11661	18.1
161.13213	8.6
163.14761	9.4
165.05389	8.7
169.10057	3.0
171.11620	6.9
173.13208	11.0
174.89409	1.9
175.14719	12.8
177.16339	3.0
183.11603	7.4
185.13197	12.1
187.14734	19.2
189.16310	9.6
197.13152	2.4
199.14824	8.4
201.12602	2.1
201.16225	18.7
203.14273	7.0
203.17801	7.0
205.15805	3.6
211.14679	2.5
213.16360	3.6
215.17839	2.9
249.14749	3.2
342.16806	1.9
383.11151	1.9
389.32080	2.2
407.32892	14.8
435.32269	9.6
453.33466	3.3
471.34396	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	635.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	3.5
55.13894	1.5
55.47196	1.6
60.08261	1.5
61.97021	1.7
64.23265	1.7
64.33060	1.9
65.03952	1.6
65.11826	1.6
66.13000	1.5
67.05467	7.8
69.07041	7.9
79.05444	3.4
81.07024	15.9
83.08574	4.5
84.56013	1.8
91.05430	21.0
93.07004	18.8
95.04930	7.2
95.08569	25.7
104.23627	1.7
105.06998	21.9
106.73727	2.1
107.04906	11.5
107.08561	28.1
109.10125	13.5
119.04895	28.8
119.08538	34.2
120.05144	1.9
121.10085	19.8
123.04393	29.6
123.08003	3.2
123.11673	2.8
125.93972	1.8
129.06926	2.3
131.08510	12.0
133.10086	22.4
135.11656	15.6
137.13170	2.2
141.84489	1.9
143.08493	7.9
145.10060	23.5
146.10410	2.1
147.04347	100.0
147.11633	15.0
149.13251	7.7
155.08510	2.8
157.10062	10.1
159.11661	18.1
161.13213	8.6
163.14761	9.4
165.05389	8.7
169.10057	3.0
171.11620	6.9
173.13208	11.0
174.89409	1.9
175.14719	12.8
177.16339	3.0
183.11603	7.4
185.13197	12.1
187.14734	19.2
189.16310	9.6
197.13152	2.4
199.14824	8.4
201.12602	2.1
201.16225	18.7
203.14273	7.0
203.17801	7.0
205.15805	3.6
211.14679	2.5
213.16360	3.6
215.17839	2.9
249.14749	3.2
342.16806	1.9
383.11151	1.9
389.32080	2.2
407.32892	14.8
435.32269	9.6
453.33466	3.3
471.34396	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	635.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
53.03930	1.1
55.05491	12.2
57.07055	4.9
65.03912	0.8
67.05467	11.6
68.44363	0.7
69.07043	12.6
71.04960	1.0
79.05452	9.9
81.07023	23.6
83.08578	12.8
91.05436	21.3
92.08749	1.6
93.07005	19.8
95.04929	17.7
95.08567	38.4
97.06498	1.1
97.10113	1.2
99.08038	3.2
103.05412	1.1
105.06996	27.7
107.04919	35.0
107.08556	40.2
109.06475	3.2
109.10115	17.0
117.06974	5.4
119.04898	28.3
119.07877	0.8
119.08534	53.0
121.06457	5.8
121.10095	24.9
123.04380	83.6
123.07958	0.8
123.11652	10.5
125.09566	0.9
128.06241	0.8
129.06987	3.0
130.07736	0.8
131.08524	21.9
133.10081	26.9
135.08005	0.9
135.11644	16.9
137.09624	1.2
137.13222	3.1
142.07726	1.8
143.08513	15.8
143.60747	0.8
144.09296	1.5
145.10072	36.6
147.04361	100.0
147.11633	20.0
148.04642	0.9
149.09598	1.4
149.13167	7.1
151.07520	1.0
151.11127	1.2
153.09091	1.1
155.08472	3.3
156.09294	1.3
157.10060	15.3
158.10828	2.7
159.11623	27.4
161.09605	1.1
161.13208	11.4
163.07535	3.4
163.11171	0.9
163.14801	5.9
165.05412	25.6
169.10068	5.2
170.10841	1.3
171.11594	11.6
173.13199	17.3
175.14745	20.7
177.09106	1.0
177.16328	8.2
183.11613	7.4
184.12514	1.1
185.13196	16.5
186.13858	1.1
187.14754	20.9
189.16333	13.1
191.17929	3.4
193.15858	1.1
193.36893	0.8
195.11632	1.6
196.12410	1.0
197.13190	7.8
199.14743	17.4
201.16304	24.6
203.14267	8.5
203.17853	7.0
205.15730	5.3
207.17375	1.4
209.13248	3.4
211.14738	11.2
213.16298	15.5
215.14230	1.3
215.17833	5.5
217.15712	1.3
217.19452	1.1
219.17393	3.3
223.14691	1.7
225.16284	3.2
227.17877	3.2
229.19388	1.0
231.17383	4.6
233.15363	3.3
235.14674	1.1
237.16190	1.3
239.17891	4.2
241.16425	0.7
241.19435	3.8
245.15338	3.2
247.16875	1.2
249.14772	4.2
251.17929	1.7
253.19417	3.7
255.21046	1.4
259.16858	2.9
267.21011	3.0
273.18628	0.9
279.21008	1.6
291.20844	1.1
297.18552	1.0
299.19754	1.6
311.19971	1.1
317.22635	0.9
333.25507	0.8
337.25293	0.8
353.24713	0.9
363.30176	1.1
389.32010	5.4
405.31299	9.7
407.32922	10.1
409.30682	9.0
423.32504	1.2
425.33951	1.6
433.30826	4.7
435.32404	24.1
451.31870	4.6
453.33499	9.0
478.20908	0.8
500.14151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.8
56.37212	1.0
57.07048	1.8
60.04521	2.1
65.03916	1.6
67.05475	5.4
69.07041	7.1
78.62650	1.1
79.05465	4.7
81.07021	13.6
83.04968	1.4
83.08591	6.6
91.05439	19.2
93.07010	15.3
95.08562	17.4
96.45934	1.2
99.08076	1.6
105.06999	12.9
107.08549	22.8
109.10123	13.7
111.04366	1.5
116.06637	1.3
117.06987	1.5
119.04903	36.9
119.08536	28.3
121.10110	19.2
123.11656	5.1
129.07050	1.9
131.08513	10.3
133.10081	22.9
135.11642	12.8
137.13173	1.7
139.03812	2.8
143.08502	7.9
145.10083	17.3
147.04361	100.0
147.11618	16.5
149.13213	5.3
157.10089	5.6
159.11638	10.9
161.13242	10.2
163.14783	3.0
165.05434	2.8
169.10173	1.4
171.11633	5.3
173.13194	9.5
175.14658	8.4
177.16328	6.0
185.13199	10.4
187.14725	16.2
189.16313	6.1
191.17831	1.4
195.17540	1.3
197.13263	2.5
199.14737	6.1
201.16292	16.7
203.14250	7.0
203.17908	5.2
205.15843	2.5
207.17299	2.0
213.16301	6.7
215.17885	2.3
231.17149	1.4
231.95595	1.4
245.15138	2.4
249.14737	6.0
361.50656	1.3
389.31961	2.1
395.29251	1.7
407.32861	17.2
425.34222	1.5
435.32562	11.7
453.33395	11.1
471.34631	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	635.285
Annotation	Orthosiphol T
Peak:m/z	Relative Intensity
51.37200	1.0
58.56481	1.1
67.05469	1.7
77.27772	1.2
89.06046	2.0
97.95278	1.2
125.76933	1.5
294.35654	1.4
403.19208	5.4
404.19653	1.6
405.21155	1.6
417.16748	2.0
419.22412	2.7
430.17548	1.6
431.17761	10.1
432.18976	2.1
433.24243	1.9
445.19870	11.4
459.17456	1.9
460.22488	5.5
489.22949	9.9
546.21832	1.5
547.27295	13.5
575.26263	33.4
607.28662	1.6
635.28436	100.0
636.28821	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.393
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
53.03931	0.5
55.05497	6.7
57.07058	4.6
67.05488	6.3
69.07042	8.4
71.71262	0.6
79.05466	6.1
81.07028	13.1
83.08588	7.4
89.03874	5.4
89.06000	0.8
89.29326	0.5
91.05444	6.6
92.09389	1.2
93.07005	16.1
94.59403	0.5
95.04905	1.0
95.08569	30.4
97.10133	1.2
105.06994	15.6
107.04922	2.6
107.08555	28.0
109.06501	1.0
109.10118	14.8
109.94161	0.5
110.91048	0.6
111.08049	0.8
117.03323	7.7
117.06973	1.0
119.08531	31.2
121.10095	21.2
123.11645	8.6
131.08507	6.9
133.10077	23.8
135.04364	24.7
135.05408	0.9
135.11642	12.1
137.09599	0.5
137.13235	3.0
143.08554	4.4
145.02791	17.8
145.10077	13.5
147.04362	0.6
147.11647	15.8
149.13226	7.8
153.09053	2.2
157.10075	1.3
158.10939	0.9
159.11652	12.2
161.13165	9.9
163.03841	100.0
163.14783	4.8
164.04265	0.7
171.11627	3.7
173.13202	7.3
175.14766	9.8
177.09030	3.2
177.16336	9.6
181.04887	12.5
183.11609	0.6
185.13174	2.3
187.14742	4.9
189.16324	17.9
191.17888	4.0
197.13266	1.0
199.14760	2.3
201.16339	12.6
203.17894	16.5
205.15831	3.2
205.19403	0.8
207.17421	1.2
211.14798	0.7
213.16296	4.3
215.17856	23.0
217.19481	2.5
227.17931	0.9
229.19318	1.7
235.16772	1.3
239.17859	0.7
241.19412	2.2
243.21089	2.0
247.16856	4.3
249.18428	0.9
253.19460	0.8
255.20959	2.2
261.18378	8.7
267.20987	2.2
289.21375	0.7
299.19977	0.6
313.21463	0.7
315.23123	0.7
362.22852	0.7
391.33612	6.5
394.28610	0.9
409.34561	7.4
411.32321	8.4
427.35516	0.8
437.34018	27.9
438.34534	0.6
635.40967	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	635.3927
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05492	5.7
57.07047	1.6
65.03912	0.8
67.05478	4.0
68.07320	0.6
69.07044	8.2
71.86768	0.7
76.09267	0.7
79.05449	3.8
81.07020	12.9
83.08583	8.4
91.05437	18.8
93.06997	13.5
94.91949	0.7
95.04962	1.0
95.08562	25.7
99.08045	1.5
100.81268	0.7
105.06992	18.6
107.08549	25.9
107.79890	0.8
109.10118	13.8
117.07002	1.7
119.04889	37.6
119.08531	30.3
121.10093	20.7
123.11658	7.3
129.06961	1.1
131.08519	10.7
133.10075	19.3
135.08028	1.1
135.11624	13.7
137.13203	1.5
143.08502	7.1
145.10057	18.5
147.04355	100.0
147.11627	13.2
149.13205	6.9
151.14777	1.4
155.08496	0.8
157.10068	5.7
158.10902	0.9
159.11639	15.8
161.13210	10.6
163.07503	1.5
163.14732	5.9
165.05367	8.2
169.10043	1.6
171.11584	5.6
173.13191	12.9
175.14786	13.7
177.16315	5.4
183.11641	4.2
184.12317	0.9
185.13145	10.4
187.14745	16.4
189.16318	9.9
191.17871	4.3
195.11769	0.8
197.13220	3.2
199.14722	7.7
201.16278	18.5
203.14223	6.6
203.17859	9.9
205.15887	5.9
207.17422	2.9
209.13211	0.7
211.14795	3.7
213.16325	8.2
215.17891	4.6
219.17329	1.2
222.36658	0.7
225.16232	1.4
227.17967	2.8
231.17398	0.8
237.16470	0.9
239.17879	1.4
241.19279	1.1
245.15218	1.8
247.16791	1.3
249.14842	4.1
251.17926	0.9
253.19492	2.8
259.16867	1.0
267.20999	1.6
272.49768	0.9
389.31927	5.4
395.29330	0.8
407.32834	15.6
409.30795	4.8
425.34042	3.3
427.31961	1.1
435.32465	16.8
453.33453	12.1
471.34668	1.8
496.88736	1.0
594.39490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94726	0.8
59.83574	0.9
97.72980	0.9
129.34547	1.2
145.64696	1.0
275.83850	1.0
278.18692	1.0
297.31549	1.1
347.72961	1.0
403.19147	6.0
404.20154	1.1
417.21341	8.4
418.21768	1.7
419.22379	4.4
430.17407	1.9
431.17969	10.8
432.23175	4.6
433.23816	6.3
443.18906	1.9
444.19293	2.3
445.19937	16.4
446.21124	4.3
447.21558	7.8
459.21689	12.8
460.22556	16.4
461.23166	10.3
505.22290	4.7
519.24078	5.1
531.24207	4.1
546.26141	4.4
547.26886	27.6
575.27362	1.2
577.24274	2.0
591.25946	5.6
606.28119	16.7
607.29095	27.5
635.28461	100.0
636.29529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70865	0.5
53.03921	4.0
53.70742	0.5
54.81050	0.6
55.01854	1.0
55.05494	4.6
57.03420	5.5
58.61534	0.5
61.02905	0.7
65.24894	0.5
67.05488	5.5
69.03400	14.1
69.07045	3.2
70.02933	0.5
71.04949	1.3
75.04446	3.3
79.05457	26.9
80.72088	0.5
81.03391	14.5
81.07022	7.1
83.04930	0.9
85.02879	8.1
87.04425	0.7
91.05444	17.7
93.07003	100.0
95.04919	6.0
95.08562	4.8
97.02840	8.8
99.04400	1.2
103.05421	1.2
105.04448	0.9
105.06992	14.3
107.04922	0.6
107.08562	17.1
109.02843	6.3
109.06483	1.5
109.10097	5.4
111.04419	1.0
111.08040	3.7
117.06973	3.1
119.04869	1.2
119.08540	21.5
121.06459	1.3
121.10095	93.3
123.04388	1.3
123.08001	1.5
123.11643	1.0
127.03874	3.8
129.06953	1.4
131.08511	8.2
133.06439	0.9
133.07574	0.7
133.10091	1.3
135.04366	3.8
135.08051	0.8
135.11642	0.8
137.05940	3.3
137.09534	0.7
139.11133	1.3
140.07034	0.6
141.01866	1.1
145.02837	1.2
145.04924	1.1
145.10085	1.5
147.04391	3.0
147.08008	0.8
147.11577	0.8
149.09561	18.3
152.07056	0.9
153.01765	20.0
158.52516	0.6
161.09567	0.6
163.03833	13.8
165.01772	16.4
165.09093	0.9
167.06982	3.8
167.10622	10.6
168.07379	0.7
171.02855	2.5
175.10928	0.7
179.03325	2.2
183.02794	14.4
189.01701	1.2
191.03358	0.7
191.14745	0.6
195.02831	6.1
203.03262	0.7
207.02827	3.3
208.05873	0.7
225.03831	1.1
249.03937	0.7
252.20052	0.7
271.09598	3.9
283.09586	0.8
289.06934	19.8
293.13696	7.1
301.06973	10.2
311.14795	11.4
325.06931	3.9
331.08215	0.9
343.08249	0.7
367.08087	0.8
408.97501	0.7
419.18149	1.1
427.12683	0.7
437.15704	1.3
463.15903	1.0
465.35458	0.7
544.76929	0.7
599.20758	1.2
602.26630	0.9
627.76294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72258	0.6
53.00280	0.5
53.03936	1.1
55.01857	2.8
60.62745	0.5
65.03918	12.2
67.05487	1.2
69.03397	0.7
75.04449	1.5
79.05489	1.5
82.04168	1.4
83.04971	0.6
85.02885	1.4
87.52822	0.6
89.03886	0.8
90.50352	0.6
91.05460	6.6
93.03383	8.4
93.07002	3.5
95.01271	0.7
95.04964	4.4
97.06477	1.1
103.05437	3.7
105.07007	1.5
106.04148	11.8
107.04918	6.1
108.02071	0.9
110.03632	13.7
111.04409	15.1
117.03316	1.0
119.04900	0.8
121.02826	11.2
121.06467	12.9
123.04403	0.9
125.05962	22.5
128.40128	0.6
129.06976	0.9
131.04916	2.6
133.02876	0.9
133.06462	0.9
134.03586	1.3
135.04333	2.5
135.08017	1.1
137.05927	5.1
138.03082	0.8
145.06496	0.7
147.04362	0.8
148.05171	1.3
149.02328	4.1
149.05949	19.2
149.07117	1.1
151.03900	1.3
151.07498	2.6
153.04181	1.4
153.05429	31.9
153.09103	4.0
159.08003	1.4
160.05157	0.6
161.05936	2.6
161.09575	2.3
163.03842	2.5
163.07489	1.0
165.06995	2.7
167.06989	7.0
167.08382	1.3
175.07471	2.3
177.05394	11.5
179.08519	1.2
180.94110	0.6
181.04910	1.3
181.06418	0.9
181.08557	9.3
182.07205	1.4
183.07930	0.7
184.05109	1.1
187.07512	0.8
189.09082	0.9
191.06963	1.1
193.06366	1.1
193.10008	0.8
194.07339	0.7
195.08047	4.3
195.87485	0.6
197.05978	1.2
197.09540	0.8
206.07199	1.3
207.08067	1.0
208.08820	0.8
209.08014	37.0
209.09976	1.3
210.06712	3.9
211.05574	0.7
211.07393	4.4
212.08240	1.1
213.09026	1.3
219.08005	0.9
220.05159	0.9
220.08853	1.0
221.05925	1.3
221.09596	3.9
222.06770	0.8
222.10350	1.5
223.07477	5.8
223.11189	2.3
224.08232	1.5
225.05467	0.9
225.09015	6.5
227.07045	3.3
227.10558	1.4
231.08089	1.1
233.06133	0.6
234.06708	2.3
235.07521	3.0
235.11389	0.7
236.08228	1.0
237.08871	4.3
238.06151	4.1
238.09737	5.7
239.06960	4.8
239.10649	2.4
240.07692	11.7
241.08478	2.7
248.08331	1.2
249.05341	1.0
249.08957	4.5
249.11253	1.3
251.06946	3.9
251.10605	1.5
252.07759	1.5
253.08511	26.4
253.12125	7.5
254.09285	4.0
255.06396	3.8
255.10110	6.9
257.07962	5.1
265.08453	3.4
266.05756	1.2
266.09335	4.7
267.06500	2.5
267.10104	7.0
268.07242	3.5
269.08057	5.3
270.08759	4.0
270.12415	1.0
271.13199	1.5
277.08600	1.2
279.06464	1.3
279.10101	1.4
281.08005	6.5
281.11627	8.6
282.08746	4.3
283.09595	12.2
283.12881	1.1
284.10281	4.6
285.11148	7.0
285.14795	4.0
294.08820	2.2
295.09497	4.3
296.10358	1.0
297.11185	2.8
298.08682	0.8
298.11737	4.3
299.12662	11.0
300.09824	1.2
303.16092	1.1
309.11087	12.5
310.11871	5.3
311.12454	0.8
312.09869	0.8
313.10605	17.0
313.14255	7.3
327.12146	36.1
328.12726	3.9
331.15283	4.7
339.12296	1.0
341.13867	4.9
343.15213	0.9
352.10141	0.7
359.14764	100.0
360.15045	2.8
361.16385	2.4
371.14764	6.1
389.15674	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	633.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79678	1.0
53.03923	1.2
55.05491	5.5
57.07074	1.2
66.49469	1.1
67.05469	7.4
68.37187	1.2
69.07043	5.3
77.86040	1.3
79.05460	6.8
81.07027	9.0
83.04951	1.2
83.08594	3.1
85.06544	1.7
89.72006	1.3
91.05444	20.1
93.07006	14.1
95.04927	1.8
95.08560	17.8
99.08063	7.7
105.07001	14.1
107.08554	30.4
109.06517	1.7
109.10139	9.2
117.06977	1.7
119.04901	41.3
119.08532	29.7
121.10102	15.9
123.04352	1.8
123.07999	1.5
123.11660	5.9
129.06937	2.4
131.08516	16.9
133.10059	18.5
135.11650	5.7
137.13251	1.5
142.07697	1.5
143.08478	8.8
144.09222	2.0
145.10072	24.6
145.11101	1.7
147.04359	100.0
147.11641	14.8
149.13225	3.0
155.08542	2.2
156.09380	1.8
157.10085	10.6
159.11649	13.9
161.13203	7.7
163.11101	2.0
165.05396	4.9
169.10071	5.6
170.10873	1.5
171.11600	10.1
172.95206	1.5
173.13191	13.4
175.14787	1.9
181.10002	1.5
183.11580	10.3
185.13174	7.5
187.14786	11.9
189.16304	2.8
195.11705	2.3
197.13240	7.5
199.14772	5.1
201.16327	7.6
203.14168	1.9
205.15735	4.4
209.13295	2.5
211.14671	2.5
213.16313	2.6
219.17400	1.5
223.14751	1.6
225.16345	2.4
227.17828	1.8
235.14616	1.5
237.16158	2.1
239.17891	2.6
249.16368	1.7
251.17842	2.1
265.19336	2.4
269.18964	1.6
277.19559	1.6
283.20544	7.6
291.20978	1.4
304.46631	1.2
318.78705	1.8
326.05554	1.4
333.25500	1.5
351.26682	5.9
379.29819	2.1
403.61667	1.5
405.31351	18.5
405.59055	1.3
423.32367	21.2
425.30212	1.7
451.31833	10.6
536.55933	1.4
561.95386	1.2
587.36542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3771
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.05493	4.8
57.07040	1.9
63.71914	0.4
65.03910	1.1
67.05480	4.3
69.07031	5.9
79.05450	3.5
81.07023	8.6
83.04939	0.5
83.08581	4.5
85.06536	0.6
91.05441	19.5
91.06007	0.7
91.40404	0.4
93.07005	11.7
95.04906	0.7
95.08566	12.6
97.06503	0.5
97.10126	0.6
105.06290	0.6
105.06990	16.5
107.08559	19.0
107.85957	0.4
109.06495	0.6
109.10112	10.2
117.06966	3.6
119.04893	40.1
119.08532	23.2
121.06472	0.5
121.10094	14.3
123.04421	0.7
123.08007	1.8
123.11623	4.3
128.06160	0.7
128.36389	0.5
129.06943	1.9
129.66066	0.4
130.07779	0.5
131.08522	14.4
131.46265	0.4
133.10085	15.4
135.10670	0.6
135.11647	9.6
137.09590	0.6
137.13197	0.9
142.07718	1.8
143.08513	7.3
144.09265	1.0
145.06389	0.5
145.09186	0.5
145.10069	23.0
147.04361	100.0
147.11629	7.1
148.04758	0.8
149.13220	5.8
155.08499	2.3
156.09326	2.2
157.10072	11.1
158.10872	0.9
159.11629	18.8
161.09534	0.6
161.13193	6.3
163.07436	1.0
163.11142	5.0
163.14752	2.5
165.05385	3.4
165.12703	0.5
168.09235	0.7
169.10051	2.6
170.10826	2.1
171.11620	6.8
172.12453	0.6
173.09636	0.4
173.13177	14.2
175.14764	6.4
177.12688	2.9
177.16266	3.5
181.10039	1.8
183.11610	11.1
185.13176	7.8
187.14749	16.1
189.16331	4.7
191.17955	1.6
195.11595	1.1
196.12454	0.6
197.13177	3.4
199.11166	0.6
199.14786	8.8
201.12683	16.0
201.16312	9.8
203.14313	0.6
203.17891	0.9
205.12123	2.4
205.15816	7.2
207.17348	1.7
209.13129	1.8
211.14755	2.4
213.16284	2.4
215.14296	0.7
215.17909	2.2
217.15779	2.3
219.13878	0.5
219.17369	0.8
223.14735	0.8
225.16251	0.9
227.17931	0.7
229.19437	0.7
233.19069	0.8
237.16277	1.0
239.17886	0.7
245.15160	1.2
247.13020	3.9
251.17848	0.9
257.15262	0.9
271.16885	0.6
277.19556	0.7
305.22247	0.6
307.23969	0.7
387.30331	0.9
393.27811	1.8
405.31372	8.4
407.28641	0.6
407.33038	1.9
423.32239	4.5
433.30792	4.5
451.31921	8.9
469.33035	1.0
615.36389	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	632.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50795	1.0
55.01852	1.5
55.05505	14.1
57.03425	23.6
61.02890	1.9
67.05488	51.7
69.03393	2.1
69.07043	16.1
71.01312	2.6
71.04975	2.5
71.24296	1.2
71.39622	1.1
72.45190	1.2
79.05470	46.5
81.03380	9.3
81.07018	33.8
83.04968	13.1
83.08566	4.7
85.02885	2.0
85.06541	2.8
87.43893	1.4
89.71082	1.2
91.05448	16.8
93.07016	58.2
95.04935	7.1
95.08562	11.8
97.02856	2.1
97.06493	14.0
97.10142	10.9
99.08097	1.7
101.05229	1.4
105.07006	7.8
107.04916	1.9
107.08568	37.5
107.09236	2.4
109.06504	2.2
109.10136	10.4
111.08054	2.0
117.06992	5.4
119.08549	9.2
121.10107	10.6
131.08542	1.7
133.10066	5.1
135.11641	50.3
145.10089	9.8
153.12608	1.7
159.11591	1.7
163.11119	9.5
169.00879	1.3
181.12180	6.5
188.90907	1.3
191.06721	1.5
199.13190	1.8
255.15820	46.8
379.96771	1.4
435.27289	100.0
436.27463	2.1
446.10492	1.6
633.96442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3777
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
53.03932	0.4
55.05495	4.7
57.03418	0.2
57.07053	1.9
58.27748	0.3
65.03927	0.5
67.05145	0.4
67.05482	5.9
67.65430	0.2
69.03404	0.4
69.07042	5.7
71.04952	0.3
71.28696	0.2
79.05470	4.3
81.07030	9.2
83.04951	1.2
83.08595	4.8
85.06519	0.4
91.05447	18.5
92.08659	0.3
93.07013	13.8
95.04927	1.2
95.08570	16.6
97.06512	0.6
97.10109	0.6
99.08066	0.6
103.05408	0.3
105.07000	20.1
106.07362	0.3
107.04925	1.0
107.08563	18.0
109.06479	1.4
109.09401	0.5
109.10126	11.1
111.08038	0.7
115.05414	0.5
117.06989	3.8
119.04906	33.5
119.08541	27.3
121.06429	0.6
121.10104	17.2
123.04381	0.5
123.08011	1.8
123.11686	4.7
125.09624	0.4
128.06187	1.3
129.06958	2.7
130.07755	0.6
131.08528	15.3
133.10094	17.3
135.07996	1.2
135.11659	10.1
137.09567	1.1
137.13206	2.9
141.06963	1.1
142.07732	2.9
143.08525	8.4
144.09319	2.5
145.06526	0.3
145.10085	24.5
147.04373	100.0
147.11638	8.0
148.04730	0.5
149.05916	1.1
149.09576	0.5
149.13220	7.2
151.11116	1.1
151.14764	0.4
155.08508	3.6
156.09277	2.3
157.10086	12.7
157.11388	0.5
158.10828	2.5
159.07996	1.1
159.11642	20.6
161.09592	0.5
161.13222	6.7
163.07431	2.2
163.11143	4.1
163.14778	3.1
165.05438	5.0
165.12694	0.5
165.23431	0.3
167.08514	1.2
167.10564	0.3
168.09319	1.6
169.10077	4.7
170.10910	2.0
171.11626	8.2
172.12450	1.1
173.09435	0.3
173.13202	16.4
174.13857	0.3
175.11221	0.6
175.14767	7.6
177.09030	0.3
177.12682	2.1
177.16324	3.1
179.08615	0.4
179.10464	0.3
181.10063	1.7
182.10899	1.3
183.11641	13.6
184.12421	1.3
185.09642	0.3
185.13203	8.3
185.58549	0.3
187.07584	0.4
187.11165	0.6
187.14758	14.5
189.09105	0.4
189.12697	0.5
189.16351	4.7
191.17917	1.5
193.15826	0.4
194.10826	0.4
195.11647	2.0
196.12404	0.4
197.09390	0.3
197.13159	5.3
199.11072	0.5
199.14780	8.6
201.12694	21.1
201.16322	9.8
203.14331	1.3
203.17892	1.6
205.12158	3.4
205.15781	5.3
207.17346	1.5
208.12627	0.3
209.13234	2.4
211.14720	3.8
213.12727	0.3
213.16367	2.4
215.14243	1.3
215.17851	2.6
217.12257	0.5
217.15849	1.8
219.11314	0.3
219.13718	0.5
219.17416	1.5
220.12413	0.4
221.13216	1.2
223.14790	1.5
225.16318	1.3
227.14111	0.4
227.17924	1.5
229.12247	0.4
229.15916	0.9
229.19427	0.6
231.13716	0.4
231.17374	0.5
233.15242	0.5
233.18903	0.5
235.14737	1.1
237.16270	1.6
239.17776	0.5
243.13792	0.4
245.15309	1.9
245.19003	0.3
247.13184	7.1
249.16434	0.6
251.17870	1.3
253.19511	0.4
257.15347	1.3
265.19388	1.0
277.19452	0.6
279.20969	0.6
289.19534	0.3
291.21072	1.1
293.22540	0.4
305.22293	0.5
323.19855	0.4
347.27090	0.5
361.28976	0.4
387.30518	2.0
389.31638	0.5
393.27768	1.5
405.31400	7.5
407.28647	0.5
407.32968	1.2
423.32474	4.1
433.30740	4.3
451.31946	6.4
469.32983	1.0
520.16583	0.3
615.36725	4.6
654.90686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
53.03927	2.0
55.01852	5.4
65.03926	7.2
67.05473	4.7
69.03404	2.4
71.04964	0.9
74.53207	0.8
75.04434	4.5
78.04679	2.0
79.05456	7.1
81.03389	3.9
81.07032	3.7
85.02863	6.4
89.03878	1.2
91.05449	18.8
92.09261	1.5
93.03362	10.7
93.07004	8.4
94.04169	1.4
95.04920	11.4
95.08562	1.0
97.06486	5.6
103.05438	33.6
104.36293	1.1
105.03368	1.9
105.07002	11.3
106.04139	18.7
107.04926	14.1
109.02840	1.5
109.06504	1.2
110.03629	1.6
111.04397	4.7
115.05403	8.8
117.06976	5.7
118.04102	8.0
119.04910	9.4
119.08524	1.1
121.06462	27.2
122.03631	3.9
123.04380	14.1
124.05162	1.9
125.05956	10.1
127.04045	0.9
129.06981	2.0
131.04892	48.3
131.08476	1.5
132.05675	1.6
133.02823	1.4
133.06476	13.1
134.03615	3.5
135.04337	2.0
135.07990	5.1
137.02309	8.3
137.05937	58.6
139.07495	1.4
141.05374	1.3
143.04866	4.0
144.05644	1.9
145.02887	1.4
145.06435	8.3
147.04355	14.8
147.07988	4.2
148.05144	19.1
149.05940	33.6
151.03865	43.6
151.04895	2.6
151.07516	4.6
152.04608	2.1
153.05449	6.8
153.09052	6.7
157.06447	2.2
159.04333	1.6
160.05133	1.7
161.05928	12.2
163.03864	7.4
163.07486	36.3
163.08774	1.8
165.05396	4.8
167.06978	72.4
171.04373	1.1
171.06448	4.9
173.05861	8.8
175.07491	6.5
176.04695	3.4
177.05411	20.6
179.06985	4.6
181.04900	68.3
181.06511	2.3
181.08496	13.3
187.03883	1.4
187.07477	2.3
189.05402	2.2
190.06232	1.7
191.06967	100.0
192.07585	1.3
193.04907	1.5
193.08559	4.1
195.06427	1.2
201.05403	1.8
203.06895	3.6
205.08565	4.2
207.10027	1.2
209.08029	51.6
215.03334	3.5
217.04814	1.1
217.08461	2.3
219.08142	1.4
219.10094	4.2
233.08078	5.8
234.06570	1.6
235.07542	1.5
235.09610	5.1
237.05339	1.3
243.02798	9.3
252.07767	1.9
263.09088	17.4
264.07748	1.3
265.04971	1.1
265.08438	1.3
267.10059	4.8
278.05200	1.1
279.10175	1.2
287.05237	1.7
288.05969	1.2
293.07932	1.7
297.11136	1.8
303.05066	1.7
307.09171	1.1
311.05450	2.0
323.05576	1.1
325.10385	2.0
355.11496	2.1
357.13043	6.0
365.06561	1.2
381.88599	1.2
385.12799	10.5
387.14200	10.1
395.07629	2.4
399.13989	1.4
417.15350	11.4
463.10123	4.7
505.10901	3.9
570.07581	1.2
582.29181	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75760	1.7
55.05482	2.7
56.96552	2.2
67.05475	9.9
69.07036	12.6
79.05465	5.0
79.55959	2.1
81.03381	4.9
81.07033	9.5
83.04983	2.2
85.02851	3.2
89.32912	2.1
91.05458	3.7
93.06996	9.8
94.06544	8.5
95.04960	3.9
95.08557	4.4
97.06507	3.7
107.04932	2.4
107.08564	4.5
109.10116	8.8
110.20325	2.1
119.08553	2.3
121.10104	8.5
122.05991	26.8
123.04389	3.9
133.10054	2.7
135.04338	3.4
137.05956	3.9
137.09589	2.3
140.07014	22.0
145.02840	4.1
146.05937	13.8
147.11597	2.5
151.03839	2.6
153.01782	8.2
162.05486	4.2
167.06978	3.7
172.03860	36.1
174.05519	9.0
176.07005	5.0
177.05382	4.2
181.04869	4.3
190.04843	3.2
204.06479	51.5
206.08067	12.8
211.08731	3.8
225.10172	4.1
227.11707	13.5
239.11760	3.5
251.11742	2.2
253.09752	2.7
265.09839	2.9
269.12885	10.1
271.10522	3.8
283.10626	3.6
284.11401	3.9
285.12360	3.5
287.05389	100.0
287.13730	19.9
297.12057	2.7
301.06982	4.7
301.12076	3.0
313.11575	7.3
316.14426	8.2
323.09372	2.5
326.16208	2.3
330.12207	3.5
330.15906	9.6
331.12918	2.7
331.16635	8.7
342.12210	4.4
343.13232	3.4
344.17560	4.2
345.14362	18.8
356.13412	4.3
358.15305	12.6
372.16867	2.6
384.13043	11.1
384.17447	2.3
385.13776	3.5
386.14755	4.1
386.19061	2.4
387.14297	1.9
390.17905	3.4
398.14804	11.3
399.15588	25.0
400.16379	41.4
407.77557	2.0
414.18024	2.7
416.15427	2.7
417.16901	3.9
418.17429	10.3
440.15720	4.4
458.17001	22.5
459.17545	8.6
474.01263	2.6
490.19394	2.5
540.41534	2.5
599.24805	94.8
631.26678	20.2
649.92767	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.5
63.70110	0.7
64.32144	0.8
67.05480	10.1
69.03390	4.5
69.07034	4.9
71.04945	1.9
73.32703	0.8
79.05453	8.0
81.07025	14.9
83.08589	1.7
85.02861	5.4
85.06516	7.1
91.05443	7.9
93.07007	18.9
95.04895	1.5
95.08561	20.4
97.02867	1.0
97.06499	1.0
97.10120	1.1
105.07008	13.4
107.04911	1.4
107.08552	15.5
109.06477	3.5
109.10111	9.3
111.08028	1.4
113.09611	3.0
117.06944	1.4
119.08532	23.2
121.06461	12.2
121.10103	13.4
122.07233	3.2
123.04408	1.2
123.08023	18.1
123.11692	1.8
125.09595	3.2
129.06931	1.2
131.08513	9.1
133.10100	17.9
135.08011	100.0
135.11600	1.7
137.05931	0.9
137.09578	18.1
139.11124	4.9
143.08530	4.0
145.06288	1.0
145.10081	13.5
147.07991	4.0
147.09094	1.1
147.11633	4.5
149.09579	3.9
151.07492	4.6
155.06998	1.2
156.09274	1.2
157.10100	4.4
159.08009	5.0
159.11639	17.7
161.09583	8.6
161.13206	1.8
163.03934	1.0
163.07460	1.5
165.08998	1.1
167.06993	6.1
169.10063	1.7
171.11603	2.9
173.09567	6.7
173.13206	10.1
175.11124	5.9
175.14775	10.7
177.09067	0.8
179.07028	1.1
181.08530	5.7
183.11644	3.6
185.13210	4.2
187.03845	1.0
187.11208	6.4
187.12703	0.7
189.12706	1.5
199.14847	1.1
201.12674	7.3
201.16331	4.9
203.14255	1.3
205.12202	1.8
213.12634	4.3
215.17928	4.2
219.13675	1.1
225.16328	1.8
229.15752	1.1
243.17378	9.1
245.18979	1.8
247.13107	3.6
253.15628	3.5
261.18536	6.3
271.16766	8.4
289.17865	42.4
307.18933	48.3
393.37286	0.9
524.45667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
65.03939	1.1
67.05484	4.1
68.04983	1.1
69.03396	1.1
69.07047	12.0
79.05463	1.9
80.05000	1.1
81.03374	1.3
81.07031	2.6
84.08114	1.0
85.81871	0.9
91.05486	4.5
93.06943	1.1
94.06542	13.6
95.04914	4.3
95.08567	1.7
97.06506	4.3
104.05008	1.2
105.07021	2.1
106.06486	1.1
107.04933	1.1
107.08558	1.2
108.08110	1.7
112.07562	2.1
116.04902	1.3
118.06518	1.9
119.08595	1.4
120.04446	1.4
120.08047	1.2
122.05991	47.3
123.04420	1.9
133.10210	1.0
134.05954	3.6
136.07495	1.3
137.05922	2.4
140.07019	55.9
144.04419	6.4
146.05986	25.0
147.04362	2.2
147.06673	1.5
148.07536	5.6
152.07124	1.0
153.05417	2.1
162.05467	5.1
163.06264	1.1
167.06985	10.6
172.03876	38.8
172.07521	1.2
173.04648	2.0
174.05447	30.2
176.06995	9.7
177.05492	1.1
178.08585	1.1
190.04974	6.7
191.05661	2.4
192.06532	4.2
192.08092	1.2
197.10687	4.3
199.08647	1.3
199.12236	2.3
204.06502	49.4
206.08084	14.1
207.66283	1.0
209.10741	2.2
211.08574	2.6
212.09358	1.3
213.10260	1.9
223.12338	1.2
224.09279	1.9
225.10184	15.7
227.11691	27.4
235.08563	1.2
237.10152	6.2
238.10854	2.0
239.11786	10.5
241.09599	2.5
241.13290	2.5
243.11299	1.1
249.10118	5.8
251.08075	1.1
251.11687	10.2
253.09634	5.2
255.11353	1.2
261.12259	2.2
263.08011	2.3
263.11667	2.5
264.08768	1.4
265.09619	4.1
267.11182	1.9
269.09766	1.3
269.12772	17.0
271.10678	8.9
277.09598	2.5
279.11368	2.3
283.10666	14.6
284.11444	10.2
285.12299	7.4
286.12979	1.6
287.05411	1.6
287.13815	26.1
291.11127	1.9
295.10672	4.7
297.12332	5.9
301.12109	5.3
302.13065	1.5
303.04639	1.4
309.12396	1.9
312.14987	1.5
313.11691	34.8
314.12891	1.5
315.13507	7.5
316.14371	12.5
323.10233	2.3
323.13794	1.6
328.14227	5.5
329.11484	6.1
329.15433	4.7
330.12244	5.1
330.15933	11.4
331.12802	13.9
331.16714	15.4
342.12173	12.0
343.13129	7.0
344.13708	3.6
344.17462	10.8
345.14383	16.9
354.16190	1.6
355.13434	1.7
356.13724	9.7
356.17639	1.4
357.14716	6.8
358.15314	14.4
367.13428	2.1
369.10989	1.8
370.11343	1.9
370.15408	6.4
371.16418	1.7
372.16843	7.4
380.13629	2.2
382.11340	4.0
383.12570	5.5
383.27701	4.2
384.13184	20.4
384.17346	1.4
385.13977	6.4
386.14496	10.3
386.17548	2.4
386.18985	3.7
388.16431	2.5
390.17960	8.1
398.14813	25.0
399.15634	37.2
400.16449	49.6
402.14294	2.2
412.16452	2.6
414.18039	9.4
415.18719	1.9
416.15866	6.4
417.16718	9.4
418.17514	17.4
430.17307	5.3
431.18356	2.6
440.16293	7.7
440.21811	1.3
441.16562	2.0
444.15207	4.6
458.16965	37.1
459.17801	20.8
460.18552	5.6
490.19852	8.4
491.20465	1.3
545.32526	4.3
557.23572	2.3
581.23621	7.0
587.33508	6.8
599.24811	100.0
600.24829	2.2
631.33533	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.8
67.05490	3.5
69.07043	34.4
69.07418	1.3
81.07003	2.0
81.94131	0.8
86.34980	0.7
91.05473	1.3
92.08566	1.4
93.07014	1.2
95.04918	1.6
97.02843	1.0
97.06507	0.8
105.06994	1.0
107.04892	0.8
107.08554	1.5
108.08091	1.3
109.06483	1.5
112.07545	0.8
117.11629	0.8
119.08543	1.4
122.06001	4.6
133.10081	1.0
134.05977	1.9
135.04332	1.0
138.05458	1.1
140.07018	41.5
146.05984	8.2
147.04330	0.9
148.07590	1.9
162.05385	1.2
172.03894	3.2
173.13379	0.8
174.05441	7.2
174.08995	0.8
176.07002	5.0
177.05402	1.0
179.46085	0.7
185.10739	1.0
186.09094	1.0
190.04861	1.8
194.58150	0.8
197.10680	3.3
198.09128	0.9
199.12247	3.2
204.06494	4.1
206.08063	1.6
209.10693	3.2
210.09116	3.6
211.08630	1.6
212.09216	1.5
213.10272	1.2
216.10127	4.8
217.13206	1.1
218.50183	0.8
224.09248	1.2
225.10162	16.1
227.08083	0.9
227.11700	17.6
237.10211	1.6
238.10918	1.7
239.11728	3.6
240.10120	1.6
241.09558	2.8
241.13237	1.5
242.11693	1.2
243.11243	1.9
245.12857	1.5
249.10020	0.8
251.11823	1.0
253.09729	8.7
253.12933	0.8
261.12198	7.0
265.09628	1.6
267.11240	4.9
268.09592	3.8
269.12750	19.9
271.10648	20.0
272.47525	0.8
275.21625	1.0
279.11298	1.1
283.10666	8.1
284.11450	1.9
285.12219	6.4
287.13760	18.6
295.10574	0.9
296.08984	1.0
297.12250	9.4
300.12076	3.8
302.12842	1.1
313.11697	22.3
315.13284	1.4
316.14182	3.3
329.11606	1.5
330.12189	3.0
330.15894	2.7
331.12775	7.1
331.16718	3.4
332.17542	1.7
342.12268	3.6
343.12933	1.9
344.17285	1.3
345.14413	7.3
354.15839	0.9
356.13907	1.3
357.14938	0.8
358.15384	4.6
370.15536	1.1
372.17007	1.6
384.13174	3.9
385.14050	1.6
386.14554	1.1
390.17917	4.4
391.18909	1.4
392.19431	1.0
398.14893	5.2
399.15427	5.6
400.16431	13.7
417.16589	5.0
418.17548	5.5
441.16269	1.0
442.17560	1.0
458.17072	5.7
459.17685	3.7
460.18253	4.6
469.18506	1.0
555.25690	1.7
557.23938	9.5
581.23328	4.3
599.24780	100.0
600.25665	1.1
628.77246	1.2
631.27161	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	631.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06637	0.7
65.00820	0.7
65.53484	0.7
67.05475	1.3
68.04991	1.1
69.03403	0.8
69.07034	7.1
79.05482	1.4
92.62142	0.9
94.06538	13.9
95.04937	1.7
96.46583	0.7
100.30099	0.7
105.06985	1.2
108.08038	1.9
109.10150	0.9
112.07586	1.7
116.04909	0.9
118.06471	1.4
120.08045	1.0
122.05981	35.2
123.04365	1.3
133.99774	0.9
134.06009	1.0
140.07018	43.9
144.04381	5.8
146.04929	1.4
146.05971	22.5
148.07510	1.3
152.07019	1.2
162.05458	4.5
163.06198	0.9
167.06984	1.0
172.03883	40.0
173.04568	1.5
174.05438	24.1
176.06993	11.2
183.84462	0.8
184.09877	1.3
190.04951	7.0
191.05699	3.3
192.06595	1.7
197.10574	2.7
198.09151	1.2
199.12270	4.3
204.06491	52.6
206.08076	12.8
211.08565	3.4
212.09384	3.3
213.10138	1.3
216.10272	1.0
223.08566	1.3
224.09279	1.9
225.10133	9.5
226.10854	0.9
227.11708	23.3
237.10176	4.2
238.11011	1.1
239.11708	5.4
241.09628	1.0
249.10104	3.9
251.08006	0.9
251.11696	4.2
253.09595	4.3
263.08066	1.6
264.09116	1.1
265.09619	4.5
266.10452	1.2
267.11200	3.6
269.09726	1.5
269.12656	11.0
271.10583	6.3
271.75693	0.9
277.09647	1.7
278.10382	1.5
279.11069	1.6
283.10675	10.8
284.11490	7.4
285.12128	7.0
287.13794	26.0
295.10648	1.1
297.12317	6.3
298.13150	1.2
300.11346	1.4
301.06976	3.3
301.12106	7.0
302.12671	1.0
312.15073	1.3
313.11691	25.3
314.12747	4.3
315.13913	3.2
316.14352	9.9
317.15167	1.5
321.08307	1.0
323.10162	1.2
324.10907	1.2
326.16199	1.3
327.14301	1.0
328.14346	3.7
329.11594	1.8
329.15250	3.9
330.06235	0.9
330.12247	4.0
330.15863	9.5
331.12793	10.5
331.16678	9.8
342.12259	7.0
342.15912	0.9
343.12997	5.8
344.13962	2.1
344.17322	8.1
345.14355	18.9
354.16034	1.1
355.13596	1.8
355.40640	0.9
356.13806	5.2
357.14749	5.3
358.15338	12.4
363.14990	1.0
370.11478	2.8
370.15491	4.9
372.16766	7.1
374.18240	1.4
382.11731	3.7
383.12381	3.4
384.13287	16.2
385.14001	4.0
386.14459	5.8
386.18710	3.3
388.16565	1.6
390.17902	6.9
398.14899	21.1
399.15631	35.3
400.16446	46.0
402.14435	3.7
412.16211	1.2
414.18076	7.9
415.18738	1.6
416.15787	4.3
417.16739	6.9
418.17361	10.7
430.17426	3.9
431.18250	1.8
440.15732	5.5
444.15262	3.7
458.16898	28.5
459.17694	16.9
460.18423	4.1
490.19516	4.6
491.20047	1.3
557.23517	3.3
581.24152	6.1
599.24750	100.0
600.24951	1.4
631.27386	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	630.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.6
55.05484	3.9
57.07057	59.7
59.05003	1.9
59.82644	1.5
64.51784	1.6
67.05492	10.6
69.07025	2.1
71.08601	31.7
73.06521	9.2
73.12394	1.9
79.05470	2.5
79.53409	1.9
81.07034	4.3
83.08566	3.5
85.10146	24.9
87.04427	8.3
89.05994	100.0
91.05469	2.7
95.08577	4.6
97.10134	1.9
97.24319	1.8
99.11706	3.1
107.07040	3.6
109.10101	3.1
117.09131	7.0
117.84581	1.9
133.08571	29.9
141.22528	1.8
151.86702	1.8
161.02895	2.2
177.11124	15.1
196.27644	1.8
199.20512	2.3
217.36674	1.8
243.23087	4.4
287.25656	8.6
339.53198	1.9
426.08002	2.0
443.00177	1.8
489.35779	8.3
613.44958	13.2
630.47327	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	629.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
55.05490	0.2
66.05824	0.1
67.05478	0.6
69.03409	0.2
69.07040	0.6
78.04681	1.2
79.05462	1.9
81.03382	0.6
81.07015	0.9
82.07346	0.1
85.02869	0.7
91.05442	0.8
93.07031	0.9
94.04119	0.2
95.04935	1.0
95.08573	0.2
95.26765	0.1
96.05724	0.1
97.02852	0.2
97.06506	0.2
98.97532	0.2
103.05434	0.3
105.07004	1.2
106.04145	0.8
107.04916	2.2
109.02875	0.1
109.10075	0.2
115.05438	0.3
115.22729	0.1
117.03329	0.1
117.06967	0.6
119.04886	0.3
119.08542	0.2
121.06446	0.7
121.10107	0.3
122.03618	0.2
123.04379	5.2
124.05173	2.5
125.05924	0.3
129.06973	0.2
131.04877	0.2
131.08521	0.3
133.06454	1.2
133.10080	0.1
134.03522	0.2
135.04419	0.2
137.05942	1.0
141.06906	0.2
144.05667	0.2
145.06432	1.1
147.04352	0.2
149.05957	1.3
151.03853	1.7
151.07460	0.2
152.04607	1.8
153.05440	0.3
155.05977	0.1
156.05624	0.3
159.07990	0.5
161.05905	1.5
163.03816	0.6
166.06294	0.2
167.06975	100.0
168.07364	0.6
173.05911	1.8
177.05400	1.0
179.06963	0.1
181.04916	1.5
181.08502	0.8
187.07442	0.3
190.06134	1.0
193.08524	3.4
202.06091	0.2
205.01141	0.2
205.08531	1.4
211.09564	2.3
217.08553	1.2
219.10040	0.2
221.08026	0.5
247.09727	0.2
265.10855	0.2
269.07880	0.1
271.02264	0.6
315.08652	0.3
315.40298	0.1
326.15707	0.1
330.10852	0.3
383.14771	0.6
401.15613	0.3
402.12885	0.2
405.05927	0.6
407.07120	0.3
467.08783	0.3
487.82181	0.2
561.34424	0.1
585.31696	0.3
599.21069	0.2
629.31458	1.7
648.44287	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	628.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19396	0.7
56.96550	32.1
57.90564	0.7
69.07001	1.1
74.98389	0.7
81.07018	1.9
83.04950	0.8
84.95990	0.9
92.09347	1.1
93.06999	3.4
95.08568	3.5
98.96943	1.4
98.97546	26.4
105.07021	1.9
107.08550	2.0
109.10173	1.0
116.98579	31.1
119.08550	1.0
121.10095	1.5
133.10092	1.8
134.99609	25.7
147.11658	1.3
153.00613	4.5
159.03214	1.0
159.12817	0.8
245.08298	1.3
275.13116	0.8
291.12506	1.2
309.13922	1.0
311.15320	1.1
327.14636	5.4
329.16122	3.2
341.16251	1.8
379.21304	1.2
461.27191	1.2
479.28110	6.8
483.31244	1.6
491.28659	1.0
497.29184	3.8
501.32495	8.0
509.29178	5.5
515.29999	5.2
527.30280	15.5
543.33124	6.3
545.31329	24.6
561.34277	10.4
563.32300	5.8
587.32269	20.1
605.33429	100.0
623.34381	6.9
628.34827	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	628.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	8.7
57.07057	51.2
60.15112	1.7
63.55084	1.7
64.32867	2.3
67.05481	5.5
69.07034	5.5
71.08603	34.5
73.06512	4.5
76.81418	2.0
79.05457	3.1
81.07015	9.3
85.10143	19.2
87.04433	9.3
89.05992	100.0
93.06987	2.5
95.08538	8.2
97.10128	4.1
107.07015	3.0
117.09129	3.2
133.08574	29.0
177.11197	18.1
193.21097	2.3
211.46976	2.6
285.27682	5.4
329.30527	3.5
415.25168	12.2
438.99786	2.5
611.46942	14.7
628.48883	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24518	0.7
53.58181	0.7
56.96293	1.7
56.96552	31.7
71.95248	1.2
72.08135	0.8
77.54345	0.9
81.07008	3.6
83.04942	1.0
84.96000	1.8
91.05442	1.0
93.07008	1.2
95.08562	1.8
96.49754	0.9
98.97553	31.2
105.06976	1.3
107.08544	4.1
116.97734	1.4
116.98586	40.3
119.08541	1.8
121.10120	1.7
131.08452	1.1
133.10065	1.4
134.99622	34.4
145.10176	1.4
153.00697	5.5
263.09793	1.0
263.13101	1.2
277.07321	1.4
311.15045	1.1
327.14731	8.4
329.16214	5.4
341.16183	1.8
343.17728	1.3
361.20230	1.0
379.21365	2.0
427.25116	1.5
461.27313	1.4
479.28357	8.0
491.27881	4.4
497.29550	8.5
501.31915	5.5
509.29584	7.8
515.29999	5.1
527.30347	18.2
543.33563	5.5
545.31299	35.2
561.34467	12.6
563.32367	7.7
568.32697	1.3
587.32172	19.5
605.33459	100.0
606.33545	1.3
623.33990	6.9
628.34686	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	627.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	3.6
53.03923	7.4
55.01852	14.7
55.05500	44.8
55.12343	3.7
57.03419	23.3
57.03724	2.7
57.07078	3.6
67.05484	96.9
69.03397	3.3
69.07049	34.0
75.32816	3.1
79.05462	77.6
81.03387	8.5
81.07033	95.8
83.04955	5.2
83.08589	7.9
83.17322	3.2
88.22520	3.5
91.05424	100.0
93.07009	86.4
95.01302	5.5
95.04955	20.9
95.08584	57.1
95.09150	5.0
97.06477	16.3
105.07001	87.0
106.59615	3.7
107.04917	22.1
107.08587	38.0
109.10121	16.5
117.06970	27.4
119.08549	54.7
121.10124	17.8
129.06956	5.2
131.08556	41.0
133.10097	45.7
135.11659	7.4
143.08347	3.6
145.06476	5.8
145.10069	17.1
147.11703	17.8
149.09523	5.7
149.13225	6.2
159.11641	7.0
179.14352	5.8
219.17351	67.5
225.04248	7.1
241.84909	3.7
275.19952	46.3
335.25641	51.8
348.95618	4.2
349.23523	17.7
355.06732	5.3
424.64435	4.1
529.11578	4.1
609.44836	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	1.6
56.96545	24.2
65.47132	1.4
67.05443	2.2
68.89500	1.1
71.95238	1.8
79.05452	2.2
81.07040	2.4
91.05452	1.2
93.06982	1.6
95.08583	2.3
98.97552	14.2
107.08556	3.0
116.22953	1.2
116.98592	19.1
117.50793	1.3
119.08535	1.8
121.10092	2.4
127.41309	1.2
130.47363	1.3
133.10072	1.8
134.99571	12.9
135.11649	2.5
144.61166	1.3
147.03165	4.9
199.02664	1.4
199.06430	1.4
203.05801	1.2
227.05807	2.1
245.06827	4.8
249.11398	2.1
265.10983	1.9
267.12668	2.5
321.13730	1.4
325.13046	2.1
339.14746	1.6
341.16345	1.6
420.24591	1.5
427.25558	1.6
433.26306	1.8
467.28290	9.1
481.29825	1.8
483.31415	2.0
485.29044	6.3
503.29883	4.2
509.29086	12.1
527.30225	71.5
530.24634	1.3
543.33234	2.8
545.31329	28.2
563.32379	46.8
568.33362	1.8
581.33179	2.9
587.32343	12.2
605.33368	100.0
606.33435	1.5
623.34821	11.0
628.34698	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	627.28
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.12202	1.0
53.17973	1.0
56.16410	1.0
59.14923	1.1
65.43129	1.2
67.05468	1.1
82.00517	1.0
84.18003	1.0
91.05476	1.5
101.68843	1.5
103.76379	1.3
105.06977	1.4
146.09633	1.3
174.09119	5.0
187.12329	2.6
188.10719	2.6
199.08585	1.3
205.17741	1.3
215.11707	3.0
225.10210	3.0
243.11195	25.9
251.11748	1.9
267.11255	6.3
285.12302	1.8
295.10773	2.5
301.15387	2.2
309.12326	1.6
315.10349	1.5
316.10779	1.9
316.14432	1.4
325.15305	5.2
327.13336	5.5
328.10724	2.1
328.14236	1.6
329.11160	1.4
330.12094	2.3
342.12213	2.3
343.13080	2.7
344.13733	5.5
346.15491	1.6
348.13205	2.3
356.13879	1.5
357.14667	1.9
358.15454	2.3
362.14941	1.7
370.15622	2.5
372.16998	5.0
386.18674	2.4
400.16354	1.8
432.18906	1.9
447.22086	2.0
450.16299	1.8
463.21381	2.5
465.18329	11.0
479.20639	8.0
480.21497	1.8
481.22644	2.0
493.22214	1.7
507.23788	5.6
535.22565	2.2
549.24976	11.6
567.25854	38.0
595.25201	28.8
627.27899	100.0
659.06555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3365
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
53.03929	7.8
54.08374	1.4
55.01847	6.9
55.05492	31.0
56.36897	1.5
57.03420	25.9
57.07046	2.5
62.65294	1.5
62.65938	1.6
63.99570	1.3
64.35749	1.9
64.75677	1.5
67.05479	62.1
69.03397	16.3
69.07040	15.8
71.01317	2.5
71.04955	8.9
75.62019	1.6
79.05463	58.6
81.03387	100.0
81.07031	44.7
83.04957	36.2
83.08592	21.9
85.02876	21.3
85.06502	2.2
91.05445	45.9
93.07009	64.8
95.04919	35.5
95.08567	15.6
97.02856	20.6
97.05930	1.9
97.06478	17.3
97.10158	12.6
99.04431	4.2
99.08009	2.0
101.02341	1.7
105.06989	25.3
107.04920	10.5
107.08566	39.1
109.02854	8.8
109.06494	6.3
109.10123	9.0
111.04397	9.7
111.05124	1.9
111.08055	11.6
117.06963	11.3
119.08537	28.7
121.06462	4.1
121.10068	14.6
123.04393	1.9
123.08031	2.1
127.03840	7.3
129.06984	12.3
131.08505	12.0
133.10109	18.9
135.07979	3.3
135.11650	45.7
137.09541	2.8
143.08498	2.4
145.10040	15.2
147.08023	3.3
147.11630	15.3
149.09576	7.3
151.07526	4.1
157.10104	15.5
163.11133	9.6
165.12721	2.3
167.06985	7.3
175.11150	14.2
181.12119	6.1
191.03322	2.7
193.12167	37.3
211.13185	32.0
215.04366	2.1
219.31004	1.6
255.15826	35.1
267.15872	18.1
285.17059	2.8
355.17636	1.7
399.19815	3.2
429.20612	12.3
437.29541	2.0
447.27341	57.4
465.28317	35.0
549.44318	2.0
604.33313	3.2
609.32483	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2799
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.44231	0.9
56.96539	2.1
78.40726	0.9
92.08678	1.3
93.07034	1.5
98.97542	1.1
101.70956	0.8
116.98664	1.1
119.77176	1.0
203.70956	0.9
205.33473	0.9
224.42702	1.1
347.40945	1.0
364.12769	0.9
379.18869	1.0
391.19205	1.5
393.20358	1.7
405.16791	1.2
406.17575	1.8
407.22372	3.5
419.18472	1.9
420.19229	1.5
421.20172	4.7
423.21591	1.4
433.20062	4.5
434.21060	4.1
435.21655	7.2
449.19080	7.2
463.21326	3.9
479.20239	1.6
481.22241	1.8
493.22357	1.6
494.23148	4.5
495.23605	1.3
507.23917	9.8
539.22943	2.1
549.24463	1.2
562.31604	1.4
567.25861	22.4
604.32538	1.9
627.27887	100.0
628.28137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1544
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
53.03912	0.3
54.80735	0.3
55.01851	0.5
57.03411	0.6
61.02916	2.0
68.99743	0.3
69.03408	2.7
73.02884	0.5
73.03737	0.2
75.88554	0.2
81.03374	1.5
85.02876	9.6
86.70836	0.2
87.04443	0.4
91.03927	0.4
91.05467	0.4
91.49374	0.3
95.04908	0.3
97.02854	4.1
109.02856	1.0
111.00739	1.1
121.02837	1.3
125.05956	0.3
127.03857	1.8
135.04379	0.3
136.45834	0.2
137.02303	4.5
143.06987	0.3
145.04932	1.2
149.02255	0.5
153.01784	5.2
161.05910	0.6
163.03877	1.1
165.01814	2.6
166.02681	0.3
183.02827	0.5
200.31393	0.3
201.05418	2.2
229.04887	5.8
247.06084	0.8
257.04327	3.2
274.04501	0.4
275.05338	0.3
285.03888	1.4
303.04892	100.0
304.05267	1.8
465.09909	0.3
491.34634	0.3
637.09863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19506	0.2
53.03926	0.9
53.40434	0.2
55.01853	0.4
56.99578	0.3
57.03416	0.4
63.02349	0.2
65.03905	0.5
67.64774	0.2
68.21935	0.2
69.03399	1.6
69.08633	0.2
71.04970	0.4
71.65604	0.2
75.04453	0.3
78.04693	0.4
79.05460	1.2
81.03384	5.8
81.07045	0.4
85.02875	2.4
89.03881	8.2
89.72051	0.2
91.05452	3.5
93.03350	1.1
93.06995	1.4
95.04954	1.5
95.08580	0.3
97.02863	0.4
97.06506	0.3
99.04420	0.3
103.05441	2.1
105.07000	1.0
106.04135	5.0
107.04893	0.9
107.08556	0.3
107.29014	0.2
107.76698	0.2
109.02866	1.5
109.06493	0.3
111.04430	0.3
115.05410	0.4
117.03337	31.0
117.06994	0.3
118.04138	0.4
119.04893	0.9
119.08591	0.2
121.06454	4.2
123.04377	1.1
124.05177	0.5
125.05936	1.4
127.03928	0.3
131.04875	1.4
133.06436	1.0
134.03583	3.1
135.04341	2.8
135.08003	0.3
135.19141	0.2
137.05916	1.0
138.06766	0.3
145.02800	82.0
146.03149	0.4
147.04366	0.3
147.08017	0.4
148.05139	1.7
149.05930	17.8
151.03773	0.2
151.07469	0.3
153.01779	2.2
153.05391	0.5
153.09059	1.3
157.43758	0.2
160.05125	0.3
161.05939	0.4
163.03850	2.5
163.07498	1.6
166.06107	0.3
167.06970	6.7
171.02878	0.2
173.05913	0.4
177.05403	100.0
178.05746	1.0
181.04887	3.8
181.08530	1.6
191.06953	3.7
195.02783	0.9
195.06485	0.9
205.01263	0.9
209.08018	6.5
255.05858	0.2
263.09131	0.4
275.44827	0.3
287.05383	3.7
288.05728	2.5
289.06314	1.8
302.99451	0.3
321.09589	3.8
334.22388	0.2
339.10568	3.1
385.12634	0.2
613.04523	0.2
627.29730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04545	0.1
53.00272	0.1
53.03918	0.4
55.01844	0.3
57.03411	0.9
60.09496	0.1
61.02909	1.3
64.14337	0.1
66.57734	0.1
68.99769	0.6
69.03403	3.2
71.04948	0.2
72.90236	0.1
73.02879	0.6
76.54980	0.1
81.03374	1.6
85.02872	7.8
85.32028	0.1
87.04388	0.2
91.03898	0.2
93.03364	0.2
95.04919	0.3
97.02841	2.9
99.04373	0.2
107.04865	0.1
109.02837	1.3
111.00774	1.1
121.02814	1.2
123.04378	0.2
127.03886	1.3
129.04526	0.1
131.13177	0.1
137.02283	4.4
145.04849	0.5
147.04326	0.2
149.02306	0.4
153.01770	4.4
155.04861	0.2
161.05876	0.2
163.03864	0.8
165.01758	2.4
166.02550	0.2
173.05974	0.2
183.02864	1.0
183.04266	0.2
187.03864	0.3
195.02890	0.2
201.05467	2.0
203.03630	0.1
216.03813	0.1
219.02837	0.2
219.06485	0.3
228.04115	0.1
229.04878	4.8
247.05925	1.0
257.04279	3.1
274.04578	0.8
275.05246	0.2
285.03885	1.7
303.04871	100.0
304.05188	1.6
465.10110	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	627.1542
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
51.33462	0.2
52.05363	0.2
52.05626	0.2
52.85697	0.2
53.03915	0.3
55.01860	0.4
55.99470	0.2
57.03405	1.0
61.02906	1.7
68.99772	0.4
69.03400	3.0
71.04963	0.3
73.02886	0.5
74.05381	0.2
81.03384	1.3
85.02876	10.6
91.03861	0.4
92.09315	0.3
93.03349	0.2
97.02846	3.9
99.04374	0.3
109.02840	1.7
111.00775	1.4
121.02783	1.3
123.04388	0.4
127.03900	1.6
137.02284	4.5
141.72015	0.2
145.04922	1.5
147.04390	0.5
149.02289	0.4
153.01773	5.4
155.04897	0.3
163.03825	0.9
165.01772	2.9
166.02625	0.2
173.05847	0.4
183.02867	0.6
183.04388	0.3
188.83437	0.3
195.02904	0.4
201.05418	1.2
201.60786	0.2
229.04887	5.3
232.49937	0.2
236.31396	0.2
247.05855	1.2
248.16982	0.2
257.04358	3.5
259.17282	0.2
262.01874	0.2
270.00809	0.3
274.04608	0.9
285.03830	1.5
302.24646	0.2
303.04886	100.0
304.05246	1.5
350.18414	0.3
440.14438	0.3
465.09082	0.3
610.30597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10160	0.1
52.01035	0.1
53.03918	0.2
55.01864	0.1
57.03405	0.6
61.02609	0.3
61.02906	6.0
61.24310	0.1
61.51051	0.1
68.99757	0.5
69.03398	1.3
73.02885	1.3
81.03384	0.6
85.02876	4.8
87.04401	0.2
91.03922	1.8
93.03340	0.2
95.04961	0.1
97.02859	2.9
99.04398	0.2
107.04901	0.2
109.02828	0.6
111.00760	1.3
116.17962	0.1
121.02828	1.0
123.04419	0.2
127.03882	1.2
132.61949	0.1
135.04367	0.2
137.02293	4.1
137.03307	0.2
145.02876	0.2
147.04404	0.2
149.02336	0.5
153.01775	5.0
155.04823	0.1
163.03827	1.7
165.01764	3.2
166.02576	0.2
173.05939	0.5
181.40306	0.1
183.02898	1.0
183.04359	0.2
187.03862	0.2
191.03432	0.1
195.02695	0.2
201.05429	1.9
207.02698	0.2
219.02739	0.2
229.04898	5.3
247.05901	0.8
254.88416	0.1
257.04340	3.7
274.04517	1.0
275.05334	0.2
285.03784	2.2
303.04886	100.0
303.87711	0.2
304.05191	1.6
464.23193	0.2
465.10150	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	626.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05952	2.0
54.81022	2.1
55.05488	4.3
64.22420	2.2
67.05488	10.2
69.03394	3.8
69.07040	14.1
70.06564	3.9
71.41718	2.0
79.05463	14.1
81.07037	18.0
83.08587	2.8
85.02882	3.1
86.20205	2.2
87.50363	2.3
91.05446	9.4
93.07006	32.2
95.08567	37.9
99.04416	3.8
105.06995	15.8
107.08560	37.6
109.10110	22.3
119.08530	28.7
121.10087	43.2
123.11642	5.7
131.08524	5.0
133.10069	22.3
135.08063	2.9
135.11636	34.4
143.08543	4.9
145.10075	18.5
147.11670	15.3
149.06055	2.6
149.09547	3.2
149.13226	12.0
157.10043	5.6
159.11658	13.7
161.09566	4.9
161.13216	14.9
163.14755	5.5
171.11621	5.1
173.13173	4.4
174.87956	2.6
175.14694	3.3
183.11664	4.4
185.13260	2.7
189.09071	2.9
189.16356	5.1
191.17883	27.4
197.13177	2.9
199.14774	4.6
201.16371	11.1
203.14380	2.2
203.17915	16.7
266.13440	2.4
273.18390	3.2
287.19684	2.9
365.28290	3.4
383.29236	31.2
401.30582	23.2
411.29117	8.6
429.29840	100.0
447.31107	2.5
462.98505	2.5
585.32422	2.6
627.31494	3.0
640.91083	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	626.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16497	0.8
55.01853	0.9
55.05499	8.3
57.03411	1.7
57.07037	1.4
60.19882	0.7
61.02899	1.2
63.08414	0.8
66.86903	0.8
67.05486	9.9
69.03397	1.8
69.07045	10.2
71.04936	1.0
73.02903	0.9
79.05452	7.8
81.03391	2.1
81.07024	17.2
82.02986	0.8
82.07343	0.9
83.04932	3.4
83.08595	4.1
85.02869	5.7
85.06507	1.3
91.05455	6.9
93.07014	30.1
95.04907	1.6
95.08578	33.6
97.02850	1.4
97.06492	1.3
97.10124	1.5
99.04428	3.5
101.05978	1.2
105.06993	17.8
107.08562	41.5
109.06498	1.0
109.10132	20.5
111.07958	0.9
117.06981	3.8
119.01920	1.0
119.08526	24.2
121.06483	1.4
121.10098	41.2
123.08036	1.9
123.11655	8.7
129.06944	1.4
131.08528	7.4
133.10094	18.9
135.08002	3.3
135.11649	32.1
137.09576	1.1
139.54932	1.0
143.08511	4.1
145.10089	12.9
147.07976	1.6
147.11633	16.4
149.09572	3.5
149.13187	11.7
149.66055	0.9
155.08482	1.1
157.10147	7.0
158.10297	0.9
159.11684	10.7
161.09517	4.0
161.13194	10.2
163.11137	2.1
163.14772	10.3
166.24644	0.9
169.10066	1.3
171.08011	1.0
171.11603	5.0
173.09517	1.5
173.13196	8.8
175.11127	1.6
175.14793	7.9
177.16336	1.4
179.10535	1.2
179.14107	1.2
183.11627	4.0
185.13191	5.8
187.11185	3.3
187.14777	6.4
189.16347	8.8
190.44809	1.0
191.14197	1.1
191.17917	16.1
193.12206	1.0
195.11618	1.8
197.13246	3.6
199.11092	1.1
199.14775	5.3
201.12668	1.9
201.16351	5.1
203.14342	1.7
203.17900	14.1
207.10022	1.2
209.13312	1.5
211.14833	1.6
213.12587	1.4
213.16275	1.5
215.14330	1.1
217.15703	1.0
219.13712	1.3
221.15265	1.5
225.16348	1.1
231.13696	1.0
237.16365	1.7
247.16882	1.1
249.14740	1.2
251.17828	0.9
273.18378	4.9
275.20151	1.0
287.19904	6.0
299.19980	1.1
313.21429	1.7
327.23105	1.1
334.95639	0.9
365.28055	3.6
383.29318	28.2
401.30405	21.0
411.28979	6.9
429.29849	100.0
430.30316	1.1
585.32581	1.5
603.33490	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	626.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46546	1.5
55.05487	3.5
56.96539	16.2
57.45117	1.4
62.16610	1.4
67.05486	3.8
68.91008	1.8
69.07022	2.2
73.21540	1.6
79.05462	3.6
81.07027	6.3
91.05435	4.4
93.07017	8.2
95.08537	2.3
98.97546	10.8
105.07008	3.7
107.08559	3.0
109.10138	2.1
116.98579	8.2
117.06934	1.9
119.08523	4.5
121.10159	3.0
125.18719	2.0
131.08487	2.6
134.99611	7.5
135.11638	2.1
161.04857	2.7
174.84200	1.8
227.05951	2.9
243.05345	2.1
245.06808	2.9
264.38071	2.1
307.52176	2.2
325.13095	4.0
339.14749	2.3
443.20844	3.7
446.29733	3.0
465.26434	2.6
483.27829	3.2
501.28619	4.1
507.27722	4.3
525.28748	37.3
541.31299	3.1
543.29730	22.1
561.30872	100.0
579.31592	4.4
585.30573	19.1
603.31842	68.1
621.32581	9.9
626.33612	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	626.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45471	1.2
55.68136	1.4
56.96543	64.6
66.84515	1.3
67.05501	2.1
70.11722	1.5
77.97958	1.8
79.05467	1.5
81.07005	3.9
82.14558	1.4
91.05464	2.0
92.61871	1.3
93.06981	3.2
95.08547	5.9
98.97533	42.7
105.07001	3.7
107.08554	3.9
109.10082	2.1
116.98582	52.7
119.08519	6.7
121.10098	3.7
133.10028	2.3
134.99603	43.6
145.10077	7.3
153.00662	9.3
153.80403	1.6
157.10031	3.1
159.03261	8.5
159.11653	2.9
161.04762	2.0
161.13203	1.9
172.03882	1.9
177.04256	3.2
187.14688	1.8
195.03241	3.8
197.04794	1.7
199.14777	1.8
205.15851	2.9
213.04291	21.5
221.79893	1.6
225.04237	3.1
231.05315	7.0
243.05299	2.5
413.23199	3.8
417.22855	2.8
431.24365	2.5
433.26044	3.8
437.04361	1.9
445.22729	2.3
459.25620	2.7
463.28934	3.0
477.26923	2.2
479.28186	3.4
481.29834	3.4
489.26746	3.0
489.85846	1.8
495.27936	19.0
499.30423	7.4
507.27344	8.9
513.28625	22.9
517.31677	3.2
523.30597	10.2
525.28662	81.2
531.29346	2.1
541.31769	38.7
543.29712	47.0
543.37286	2.5
549.30719	8.5
559.32587	6.7
561.30835	79.4
566.30988	3.5
579.31726	3.0
585.30786	100.0
603.32104	26.3
621.32904	2.5
626.32880	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	625.3011
Annotation	Taxuspine M
Peak:m/z	Relative Intensity
54.81355	1.1
57.17572	1.1
69.51624	1.0
79.05459	1.6
91.05473	1.4
105.07007	1.5
116.43913	1.0
134.29369	1.1
175.70273	1.2
340.45230	1.1
341.41501	1.3
391.19211	1.5
393.20551	2.0
405.16800	2.3
407.22318	6.4
419.18466	2.5
420.18939	1.3
421.19928	2.1
433.20233	6.6
434.21021	6.7
435.21613	7.6
449.19604	1.7
451.24472	1.7
460.23077	1.3
463.21140	4.1
464.21625	1.2
465.22910	2.2
477.22858	1.8
478.23645	6.8
479.24603	5.1
521.25403	15.9
547.26776	1.5
565.27960	26.3
581.28174	1.9
607.28656	2.0
625.30029	100.0
626.30182	1.7
651.70801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.7
55.01862	4.2
55.05486	7.6
57.03429	1.2
61.02906	1.2
67.05471	7.1
69.03400	12.9
69.07047	32.5
70.72116	1.1
71.04971	9.8
73.06507	1.7
74.23396	1.1
76.55176	1.4
78.31036	1.2
79.05456	19.7
81.03358	4.6
81.07005	10.9
83.04951	71.6
83.05449	2.4
83.16258	1.1
85.02876	13.4
85.06547	1.4
91.05444	21.2
93.06997	18.7
95.04938	11.1
95.08564	7.7
97.02859	2.3
97.06493	56.5
99.04415	12.5
101.05951	1.9
103.05375	1.5
105.06998	52.6
107.04905	11.5
107.08565	12.4
109.02847	1.6
109.06496	16.2
113.05952	1.5
117.06951	12.9
119.04903	5.8
119.08554	10.6
121.06452	39.2
121.10110	2.0
125.05949	85.3
127.03840	1.5
128.06152	2.6
129.06961	5.8
129.54485	1.2
130.07715	5.1
131.08521	21.0
133.06465	11.5
133.10069	6.6
135.04369	1.3
135.08018	2.6
135.11679	3.0
137.05934	8.3
139.07465	1.3
141.06917	2.6
143.06992	48.8
143.08485	10.1
144.09317	5.4
145.06422	13.0
145.10078	100.0
147.04372	4.7
147.08054	2.7
147.11649	2.8
149.05894	2.0
151.07439	9.4
154.07733	5.0
155.08504	2.7
157.10078	2.3
158.07222	12.8
159.08020	8.9
159.11627	41.2
161.09517	1.5
163.03818	2.9
163.07509	1.5
163.11150	16.4
165.05484	1.5
169.09998	10.3
171.11566	1.9
172.08745	2.1
173.09554	70.5
177.09076	1.2
177.12682	11.3
182.07266	1.6
187.11116	55.6
189.12669	1.9
191.10579	23.7
197.09564	7.6
205.12167	47.6
209.11620	5.2
215.10594	48.7
215.12561	2.4
217.04944	4.7
233.11633	43.3
233.13841	2.4
251.08896	1.8
251.12689	26.6
269.13644	1.8
273.03842	7.9
279.08643	1.5
287.05405	2.6
301.03354	13.4
302.59570	1.3
303.04779	5.2
381.12372	1.3
429.17429	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05505	1.2
92.09436	3.2
103.40038	1.1
108.49759	1.0
127.74261	1.1
222.19205	1.4
263.11749	1.4
377.17770	1.9
378.18134	1.7
390.18097	2.1
391.19162	6.7
392.19803	1.9
403.66043	1.2
404.20175	1.8
405.20685	16.8
406.21283	6.6
407.22168	9.5
419.22449	8.8
420.23001	5.2
421.23602	16.4
422.16977	1.7
422.24588	1.9
433.23843	4.5
434.24374	2.0
435.18283	1.6
449.19681	1.7
450.20520	2.6
451.21130	36.1
452.21570	8.2
461.23450	1.7
463.20956	1.4
464.22012	5.3
465.22604	25.2
466.23514	5.8
476.22321	1.4
478.23233	1.6
479.24219	2.6
491.20697	2.0
492.21228	1.9
493.25739	22.0
494.27209	1.5
503.24316	15.6
504.24786	1.7
509.21829	5.3
519.23749	2.0
521.25293	9.6
523.22961	12.9
537.24603	8.7
538.25592	18.5
542.95404	1.4
547.23145	2.1
565.24164	10.2
581.27240	5.9
607.25256	5.3
620.48901	1.1
625.26379	100.0
626.26184	2.2
631.20795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70503	0.4
53.33602	0.4
55.05493	0.8
55.28864	0.4
59.45164	0.4
67.05499	1.0
70.36147	0.5
79.05476	0.7
79.71203	0.4
81.03394	0.9
81.07037	0.8
91.05434	0.7
93.07013	1.8
95.08585	0.8
107.08567	0.8
109.32719	0.5
112.86418	0.5
130.22392	0.5
164.04660	0.5
179.01479	0.5
185.31435	0.5
242.99905	0.5
391.19366	0.8
392.19916	0.7
406.21573	0.9
407.22330	1.8
418.17499	1.1
419.18317	2.4
419.23035	1.1
420.23068	3.9
421.24173	0.7
432.19281	2.0
433.19992	6.2
434.20715	2.0
435.22116	0.7
437.23074	1.2
446.20844	1.1
447.21545	6.5
448.22519	2.5
449.19174	3.6
451.24875	3.3
452.25104	0.6
455.70016	0.5
463.20731	4.0
464.22165	2.3
465.22726	3.9
477.22821	2.9
478.23630	9.1
479.24240	10.7
491.24371	2.4
510.25745	1.4
523.23187	1.1
527.37250	2.2
534.25989	1.0
537.25378	1.1
565.28015	28.5
593.27588	0.7
625.30017	100.0
626.30475	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1751
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.88355	0.1
54.81404	0.1
55.01883	0.1
55.05486	0.5
57.03191	0.1
57.03422	2.5
61.02901	3.1
63.85307	0.1
69.03394	0.7
71.04967	12.9
73.02898	1.1
75.04447	0.5
81.03373	0.2
83.04945	0.5
85.02878	16.2
87.04420	0.2
91.03903	1.1
92.02581	0.9
93.03373	1.0
97.02864	1.3
99.04395	0.2
100.11166	0.2
110.28227	0.1
111.00772	0.2
111.04403	0.8
120.10403	0.1
121.02807	1.0
126.03088	0.7
127.03849	0.5
129.05446	2.0
137.02213	0.1
139.03882	1.4
141.27542	0.1
145.05009	0.2
147.06485	0.7
151.03854	0.8
153.01778	7.6
163.03864	0.2
163.14334	0.1
165.01765	1.1
171.53903	0.1
177.05495	0.2
182.15425	0.2
183.02808	0.2
198.39532	0.1
201.05406	0.6
209.16475	0.2
210.14877	0.6
217.04956	0.5
218.05692	0.6
218.12880	0.1
228.04095	1.2
229.04890	3.7
231.02754	0.3
245.04344	0.8
246.05135	1.9
257.04355	3.3
260.03192	0.4
261.07468	0.2
271.05902	0.2
273.03827	1.8
274.04587	5.6
284.02991	0.3
285.03824	5.4
286.04703	0.3
302.04102	15.2
303.04553	0.2
317.06454	100.0
318.06992	1.1
479.11652	0.3
580.25140	0.1
625.43024	0.2
642.75879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18845	1.4
54.80659	2.1
54.80937	1.9
56.54071	1.6
57.03410	2.5
60.19975	1.8
61.02906	2.0
67.05478	2.6
67.26885	2.2
67.67710	1.6
73.02908	2.6
85.02890	11.1
91.05453	8.4
102.52989	1.9
108.61632	2.0
109.02827	2.9
114.35135	2.0
121.02892	2.9
123.04362	3.6
137.02319	8.4
139.03899	9.8
149.05959	15.4
151.03865	33.1
151.04980	2.4
163.03928	2.4
173.05824	2.1
175.03839	2.6
189.01814	5.0
191.03346	3.9
195.02838	3.9
197.91110	1.9
203.03320	15.2
207.02881	10.3
215.03362	2.0
217.04929	4.8
219.02826	3.7
221.04305	3.0
229.04877	2.5
233.04291	2.6
243.02960	2.4
255.02802	3.0
281.04510	2.2
282.05270	2.3
287.05423	11.0
296.06723	2.7
298.08527	2.3
308.06711	4.8
309.07254	4.0
310.04550	11.5
310.07889	2.5
311.09146	2.2
312.06097	3.8
313.06982	8.1
314.07761	2.7
320.06921	3.0
322.04700	4.7
323.05502	4.5
323.09064	3.6
324.06342	19.5
325.06955	100.0
325.10858	3.3
326.07727	4.8
327.08426	3.4
336.06308	17.9
337.06955	47.1
338.07599	19.4
339.08392	14.1
340.05780	2.7
343.07831	4.0
349.06842	3.3
350.07727	9.9
351.08432	36.5
352.05606	3.9
352.09454	10.9
355.07956	88.6
362.07755	3.9
363.08493	3.0
365.10046	17.2
366.07071	7.8
367.07944	39.7
376.09094	2.5
377.10101	10.5
379.07907	57.6
380.08899	2.9
381.09265	20.6
385.08911	8.1
389.05539	2.5
390.07208	3.4
391.07767	21.4
393.09488	4.4
395.11313	9.2
397.08862	2.5
403.08072	4.7
405.09647	11.1
409.08969	41.0
417.09677	3.2
419.11490	2.8
421.09006	25.6
433.09018	23.8
437.79773	2.4
439.10065	34.8
451.09940	17.8
457.11148	23.5
469.11057	16.6
475.11649	8.9
487.12173	48.1
493.10425	3.9
505.12769	13.8
511.12161	32.7
529.13306	35.0
541.13538	15.9
553.12988	11.8
559.14441	18.8
571.14362	15.8
589.15570	24.9
607.16516	19.0
625.17169	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	624.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59131	0.5
53.03937	4.8
55.01860	8.1
55.92532	0.6
57.03411	2.5
61.02900	3.5
61.42261	0.5
67.05477	1.0
68.99745	1.3
69.03405	15.3
71.04956	4.1
73.02885	4.8
79.05442	1.4
81.03391	17.0
81.07012	3.6
85.02872	36.6
87.00796	20.6
87.04433	0.9
91.05441	3.8
93.07015	4.0
94.04168	0.9
95.04931	1.3
95.08575	1.2
97.02852	18.4
97.06551	0.8
98.97559	0.7
99.04410	6.8
103.05425	2.8
105.01847	8.8
105.06983	4.2
107.08548	2.5
109.02832	13.2
109.06551	0.7
109.10096	1.0
111.04413	1.5
115.03901	1.3
115.05408	6.3
117.01752	0.7
117.07014	1.3
119.04887	1.3
119.08535	1.3
121.06456	1.0
122.03588	4.5
123.04355	1.4
125.05951	2.4
127.03869	22.8
128.06190	0.9
129.01793	2.6
129.06963	6.6
131.04883	5.0
131.08492	0.8
133.02768	0.7
133.06435	0.7
135.11652	1.1
135.51239	0.6
137.05934	100.0
138.06255	1.5
143.04872	15.1
144.05638	0.8
145.04916	9.3
145.06468	1.4
145.10092	1.4
147.01260	0.7
147.02693	0.7
147.11693	1.0
149.05939	1.0
151.03876	1.1
151.07475	1.3
153.01767	0.7
153.05450	2.6
157.06451	5.7
159.02852	10.6
160.05136	16.1
161.05847	5.9
163.03836	0.7
163.07483	4.3
165.05380	0.9
167.07016	1.2
172.05135	3.7
173.05876	1.2
174.05276	0.7
174.06728	2.8
175.07481	92.2
179.06981	0.7
187.07483	40.1
189.09053	8.7
191.08514	0.7
193.08582	2.7
199.07437	1.4
203.08501	2.8
205.08554	11.1
211.07492	2.5
217.08533	3.9
219.08090	1.2
219.10123	0.8
227.06778	0.9
231.04932	4.4
231.07848	2.7
232.08852	0.8
235.07298	0.7
235.09598	18.0
239.06958	2.5
247.07545	1.4
248.08211	3.4
255.06415	1.5
259.07401	0.9
263.10602	4.1
270.08765	3.3
271.09662	5.0
276.07736	0.8
279.10284	2.4
287.05362	4.3
291.10098	8.3
292.10309	0.8
311.12619	3.9
323.12827	7.8
325.14172	0.9
341.13763	14.5
371.85480	0.7
462.05167	3.2
611.08252	0.7
620.67322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
62.84474	0.5
67.09320	0.4
69.07048	0.6
91.05415	0.5
92.08608	0.6
92.18501	0.5
96.31275	0.5
121.10130	0.5
249.10214	0.7
263.11426	0.8
375.16162	0.6
376.16745	0.7
384.17053	0.6
389.17505	0.9
391.19009	2.4
393.20895	0.9
403.19217	1.2
404.15475	0.8
404.20062	0.8
405.20532	3.1
415.19226	0.7
417.16507	0.9
417.21298	0.7
418.17484	0.9
419.18268	2.7
419.22360	3.6
420.19168	0.9
421.23886	3.1
428.19525	0.6
431.18201	1.1
432.19330	0.7
433.20117	4.8
434.20621	1.7
435.22116	0.8
444.19049	0.8
445.20224	4.2
446.21017	0.8
447.17575	2.4
447.23019	3.7
448.22702	2.4
449.23334	6.6
457.20258	0.7
458.20822	2.5
459.21686	2.3
461.19781	3.0
462.20303	0.7
463.21307	2.8
475.21246	3.0
476.21518	5.8
477.22916	5.7
489.22617	3.2
503.25092	0.7
519.23755	0.8
533.25439	3.8
535.27277	5.6
545.25537	2.2
563.26392	24.1
593.26892	0.8
595.29034	1.0
605.27374	3.5
623.28467	100.0
624.28827	2.9
635.26837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.81855	0.4
67.05472	0.4
72.65560	0.4
75.69571	0.4
89.65958	0.4
92.09352	1.4
95.08572	0.6
118.06457	0.5
166.30803	0.5
175.58058	0.4
183.09102	0.5
209.10805	0.6
211.08646	0.5
225.10078	0.6
249.10127	0.8
251.11829	0.6
258.72144	0.4
377.17862	0.7
390.18472	0.9
391.19244	2.5
393.20956	0.6
402.18512	0.6
403.19388	1.6
404.15988	1.6
405.20639	2.7
406.21228	0.7
407.22473	0.7
417.16214	1.0
417.20718	2.4
418.17349	0.8
419.18549	2.6
419.22742	1.9
420.18924	0.8
421.24362	3.4
431.18164	0.8
432.19330	1.6
433.20074	5.9
434.20972	1.9
435.21945	0.8
443.18472	0.7
444.19171	0.7
445.19940	3.5
446.20831	1.8
447.22568	4.9
448.22568	2.9
449.23450	6.3
457.20285	0.6
458.20663	2.0
459.21832	3.0
460.22852	0.5
461.18860	3.7
462.20670	2.1
463.21149	2.0
475.21384	2.2
476.21750	6.3
477.22852	4.7
489.23108	3.4
493.22073	0.6
503.24194	2.4
505.22055	0.6
521.21564	0.8
533.25403	4.0
535.27515	4.6
545.25208	2.4
563.26318	21.5
591.26666	0.6
593.27435	0.6
605.27032	4.3
623.28448	100.0
624.29028	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05458	0.9
78.34200	0.8
83.89665	0.7
89.24313	0.7
91.05434	1.0
92.08775	1.4
98.78107	0.7
110.10270	0.7
140.07864	0.9
145.64529	0.9
183.51575	0.8
320.95349	0.9
340.45285	0.8
389.17429	6.0
390.18213	1.2
391.19064	4.0
403.19125	4.5
405.20615	13.6
406.21326	1.1
417.16370	8.5
417.21713	1.6
418.17889	4.0
419.18588	4.8
431.18271	7.5
432.19193	9.3
433.19995	9.9
434.21097	1.1
445.20175	1.9
459.21484	1.1
461.19339	1.3
463.21036	1.2
475.21014	1.0
476.21912	4.8
477.23288	5.4
491.24268	1.8
519.23718	27.8
521.21613	1.3
563.26147	17.2
563.34070	1.0
579.25745	8.6
623.28436	100.0
624.28833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44738	0.3
50.81465	0.3
55.05487	0.7
57.47591	0.4
67.05484	1.0
69.07060	0.7
70.44296	0.4
79.05466	1.9
81.03386	0.7
81.07026	2.8
82.07320	0.5
90.57597	0.4
91.05445	1.0
93.07021	2.7
95.08592	2.9
105.07004	2.3
107.08577	1.8
108.08941	0.5
109.10089	1.0
110.10461	0.6
110.31654	0.4
110.79922	0.4
117.06923	0.4
119.08561	0.8
121.10096	0.5
122.10481	0.6
127.34135	0.6
133.10075	0.8
135.04417	2.2
135.11673	0.7
140.55489	0.5
145.02795	1.0
145.10095	0.6
160.05205	0.5
163.03838	10.1
164.04196	3.0
181.04947	1.1
389.17673	2.3
390.18353	0.7
401.17468	0.7
403.19205	2.3
404.20099	0.6
405.20737	1.0
415.19202	2.0
416.20087	0.8
417.16901	2.9
417.21008	2.3
419.22412	6.0
429.16739	1.0
430.17349	0.6
430.22461	0.6
431.18509	4.4
431.22791	2.7
432.19067	1.1
433.20026	3.7
443.18283	5.3
444.19128	2.0
445.19833	10.1
446.20865	6.4
447.21924	7.1
449.23251	2.3
457.19940	0.9
459.21558	3.3
461.19278	1.9
462.20120	1.1
463.21283	2.2
473.23340	1.1
475.21100	1.9
476.21860	5.8
477.22852	7.2
489.22546	0.8
490.23734	0.6
503.24667	0.9
505.22110	1.1
521.21460	1.9
533.25275	17.7
545.25232	0.9
563.26349	24.0
584.23315	0.6
593.27551	5.6
605.27344	2.0
623.28473	100.0
624.28363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40246	1.0
54.94490	1.0
58.51327	1.1
71.60851	1.1
87.11573	1.2
108.18330	1.1
109.10156	1.4
142.26636	1.3
152.44588	1.3
183.31033	1.6
206.44710	1.5
212.67603	1.3
220.56778	1.6
229.67894	1.4
366.83289	1.2
404.20297	1.5
405.20621	2.4
417.20996	2.1
421.23834	1.5
429.20709	2.7
431.18338	2.6
433.19708	1.7
444.23352	2.0
445.19800	2.4
446.20520	2.0
447.22101	1.9
457.24045	1.8
459.21301	2.2
460.22461	6.6
461.18909	12.6
475.21155	2.9
476.21884	12.5
485.23154	15.3
486.20285	3.0
488.21677	2.1
489.22546	2.1
500.21848	2.0
503.24438	14.4
515.24353	12.5
521.25397	9.6
531.23767	18.5
549.24713	17.8
559.22882	9.2
563.26196	7.3
591.25848	24.8
606.05182	1.6
622.27155	1.9
623.28406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60152	1.0
60.10427	1.0
67.05476	1.2
75.42867	1.1
76.56099	1.1
83.39363	1.1
152.20726	1.6
264.89124	1.4
297.06778	1.3
403.18802	2.1
405.20172	2.3
417.20508	2.0
419.22226	2.5
420.22681	2.3
432.18875	2.4
433.19830	5.9
445.19608	4.0
446.20679	7.0
447.21350	6.3
448.21921	6.7
449.22000	1.8
458.21045	6.3
459.21756	2.5
460.22430	1.8
462.19986	1.5
463.21426	1.5
475.20874	2.2
476.21359	2.1
477.22202	2.0
518.22693	1.3
533.25275	9.5
534.25647	2.5
535.25983	7.8
562.25415	8.2
563.25958	10.4
605.27136	6.8
622.27203	25.8
623.28143	100.0
648.42767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97750	0.7
70.09705	0.7
75.32613	0.9
81.07007	0.8
103.02550	0.7
110.64592	0.8
111.17653	0.8
118.71783	0.7
119.40681	0.8
124.65217	0.8
171.35860	1.0
178.23451	0.8
227.37996	0.8
288.04776	0.9
391.19070	1.1
401.17630	1.7
403.19672	1.3
404.20422	1.0
405.20657	5.9
415.19141	1.8
419.22937	1.3
420.23029	3.5
421.23709	1.8
429.20380	5.9
433.20035	4.4
443.22913	1.1
445.19827	1.6
447.17465	7.6
448.22867	2.8
449.23029	1.1
457.23602	3.3
459.21539	4.4
460.22842	2.9
461.19308	16.4
472.22540	1.6
475.21118	3.5
476.21844	19.4
477.22372	1.3
485.23413	10.2
486.20520	1.8
487.24948	1.6
488.21796	1.5
503.24069	7.1
504.21500	1.0
515.24286	8.6
517.25897	1.0
519.23694	1.0
521.25079	9.4
522.32495	0.9
531.23669	19.5
535.23987	1.2
545.25525	8.4
549.24786	14.5
559.23120	6.3
563.26154	7.2
591.25861	26.8
622.27405	1.3
623.28424	100.0
624.28607	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
75.88538	0.5
77.32390	0.4
100.08331	0.4
135.70357	0.5
140.97594	0.4
144.64673	0.4
176.51312	0.5
221.37598	0.5
222.11539	0.7
223.12337	1.0
239.15298	0.6
251.15195	0.5
377.17535	1.0
378.18591	0.9
389.18265	0.8
390.18625	0.8
391.18900	3.7
392.19769	3.3
393.14993	0.5
393.20859	2.8
400.16782	0.5
401.17572	0.8
404.20343	0.6
405.20731	5.4
406.21323	5.7
407.22131	13.2
414.18408	1.9
415.19223	2.7
417.20987	1.1
418.21826	0.6
419.22244	2.3
420.23019	2.4
421.23660	12.4
422.24548	2.9
427.19193	2.0
428.19995	1.8
429.20844	6.1
430.21600	1.0
431.18079	0.6
432.19220	0.8
433.24438	1.6
443.22665	3.7
444.22870	2.9
445.20145	1.9
447.17764	1.9
457.24527	1.5
458.24527	2.8
459.22073	4.4
460.22958	0.8
461.18900	4.7
462.20041	1.0
463.21100	2.0
472.22610	2.0
473.19257	1.8
474.20172	1.5
475.20969	7.8
476.21323	4.1
477.22275	4.0
485.23618	5.9
486.20212	1.0
487.20831	0.7
488.22025	1.0
489.22598	3.2
499.20963	6.9
500.21747	2.0
503.24155	9.5
504.25296	0.8
506.22922	0.7
507.23746	0.7
508.28400	0.9
513.23187	0.6
514.23529	0.7
515.23822	0.8
517.22479	2.7
529.25842	0.7
531.23804	0.7
535.27216	7.7
536.27570	0.8
545.25281	30.9
549.24969	0.7
563.26520	2.3
564.26978	2.6
573.24756	9.9
577.27966	2.0
591.25903	2.1
605.27338	15.8
622.27557	0.7
623.28461	100.0
624.28864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05462	0.5
58.54984	0.6
60.49592	0.5
63.08202	0.6
75.56306	0.6
92.39606	0.6
108.91163	0.7
171.53459	0.7
186.12837	0.7
195.56293	0.8
223.12292	1.0
251.15524	0.7
328.77539	0.7
377.17548	1.6
378.18634	1.0
389.17786	1.1
390.18384	1.1
391.19064	4.1
392.20023	3.4
400.16693	0.8
401.17615	1.7
403.19629	0.8
404.20074	1.3
405.20663	7.1
406.21674	5.4
407.22134	15.8
412.17706	0.9
413.17267	1.3
414.18295	4.0
415.19217	5.3
419.22623	2.5
420.23120	4.2
421.23676	13.4
422.24423	1.5
427.19403	1.6
428.19904	2.7
429.20786	14.6
430.21729	4.0
431.22452	0.8
432.19202	0.9
433.15723	1.2
433.23929	3.3
442.21439	1.5
443.22513	7.9
444.23508	4.8
445.19873	1.5
447.22632	1.0
449.23157	1.5
456.19080	1.1
457.23892	3.5
458.24686	8.5
459.21747	10.2
460.22272	3.4
461.18643	5.3
462.20422	1.1
463.21500	0.8
470.20740	1.1
472.22418	6.2
473.18433	1.0
473.24106	2.5
475.21124	7.0
476.21265	5.0
477.22705	3.8
485.23264	14.7
486.24640	3.2
487.21268	1.4
488.22247	1.6
489.22818	3.5
499.21161	5.6
500.22058	1.2
503.24353	9.0
504.24634	1.1
513.22748	3.2
514.23755	1.5
515.24231	1.1
517.25903	9.5
529.26550	1.2
531.23993	1.0
535.27008	7.8
545.25287	90.8
546.25964	1.1
559.23242	0.8
562.25659	0.8
563.26166	1.6
564.26819	1.3
573.24860	18.0
591.26044	1.2
605.27399	82.7
606.27625	1.1
623.28442	100.0
624.28668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2486
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
55.05489	1.6
67.05476	2.0
69.07038	1.1
79.05424	1.5
81.03374	1.6
81.07018	1.9
81.34297	0.9
84.48259	0.9
91.05433	1.2
93.06998	2.2
96.17442	0.9
97.10166	1.1
97.73293	1.1
105.06954	1.9
119.08540	1.2
145.07549	1.0
161.61072	1.0
217.37021	1.0
239.36205	0.9
269.50125	1.1
363.16174	1.2
375.16058	1.1
377.17706	1.4
391.19281	2.0
392.19614	1.1
393.20639	11.4
399.16241	1.1
404.20190	1.3
405.16956	6.5
416.16501	1.4
419.18661	8.0
420.19424	1.9
421.19925	10.2
433.16547	3.9
447.17365	7.8
448.18835	5.1
449.19522	10.1
461.19489	4.2
462.20624	1.6
476.18573	3.7
477.19019	6.2
489.19034	4.5
503.20331	4.7
507.24377	6.8
535.23151	16.1
545.21527	2.0
563.22589	35.1
605.23694	10.6
623.24774	100.0
624.24854	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
54.80989	1.4
55.01855	12.2
55.05498	20.4
57.03408	7.7
57.07050	2.8
59.47202	1.2
61.02900	6.0
61.77557	1.4
67.05482	31.8
68.99419	1.4
68.99781	1.6
69.03402	24.4
69.07040	15.7
71.01324	3.2
71.04961	12.0
73.02869	2.0
79.05463	34.7
81.03382	45.5
81.03822	2.3
81.07023	100.0
83.04927	11.4
83.08601	3.4
85.02869	17.2
85.06516	3.4
85.14500	1.5
87.04441	2.0
91.05443	28.4
92.08721	3.3
92.63145	1.5
93.07004	66.7
95.04929	29.3
95.08568	86.2
97.02852	47.7
97.06476	15.0
97.10132	7.4
99.04404	12.1
103.03870	1.6
103.05415	2.3
105.06993	47.5
107.04921	81.6
107.08558	76.9
107.62494	1.5
109.02853	9.3
109.06485	20.8
109.10115	32.1
111.04400	11.3
111.08010	2.9
113.02332	2.9
113.05958	3.5
115.05364	2.4
117.06980	9.0
119.04909	2.3
119.08527	21.6
121.06472	17.1
121.10119	16.5
123.04390	15.3
123.08038	9.3
123.11660	67.2
125.05936	2.8
125.09595	7.0
127.03893	7.1
128.06206	1.8
129.06953	8.2
131.04883	3.5
131.08514	16.4
133.06454	10.0
133.10083	30.7
133.68243	1.5
135.04356	34.2
135.08035	11.7
135.11638	23.1
137.05923	19.8
137.09557	8.1
139.03842	6.0
139.11133	2.5
141.06929	2.7
142.07750	2.2
143.08517	16.6
145.06444	6.7
145.10063	24.6
147.04396	2.4
147.08014	9.4
147.11632	17.1
148.05148	2.2
149.05951	10.2
149.09578	13.6
151.03874	7.5
151.07526	7.1
151.11130	37.5
153.05409	5.8
153.12724	8.5
155.08496	3.1
157.10120	9.1
159.04381	1.8
159.08025	9.7
159.11703	10.9
161.05948	9.6
161.09557	18.5
161.13217	2.4
163.03841	90.4
163.05214	2.9
163.11116	28.6
165.12712	2.3
167.07014	3.3
167.08492	1.4
169.10077	2.6
169.12212	12.4
171.07999	7.2
171.11644	3.2
173.09604	8.6
175.03835	33.0
175.07498	2.1
175.11102	12.7
177.05368	3.1
177.08937	2.0
177.12778	2.6
179.06947	12.0
179.10640	3.4
181.04877	1.9
181.12166	17.6
183.08031	1.8
183.11646	1.8
185.09593	2.3
185.13243	5.2
187.03957	2.2
187.11095	2.2
189.09067	6.0
189.12691	6.3
191.10805	1.7
193.04980	2.0
193.12207	7.1
195.11786	3.2
197.08006	6.3
199.11195	2.6
201.05408	3.2
201.12715	2.2
203.10571	2.8
203.14197	2.2
205.04893	15.5
205.12163	2.8
213.12692	7.5
215.07170	2.6
215.09029	16.0
217.12190	6.4
229.05042	1.9
229.12180	7.3
231.13725	7.5
235.13275	2.1
239.06905	2.7
241.08578	3.0
241.12160	6.8
247.13263	18.2
251.07036	2.1
257.07977	48.7
259.13187	20.2
265.08505	3.4
269.08005	25.0
277.14279	34.7
281.08099	6.2
293.08005	3.7
295.15305	34.2
299.09009	22.1
309.11154	2.0
313.16406	18.6
323.09061	2.1
333.11099	1.9
365.10156	3.7
375.10730	6.1
407.18286	6.8
425.19196	5.8
431.18585	5.8
515.20129	1.9
533.21753	17.6
551.22357	20.2
569.23456	34.9
622.32349	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.50621	0.6
82.05449	0.6
90.25392	0.7
98.38631	0.8
150.45671	0.7
283.67850	0.8
373.14163	1.1
389.17651	3.5
390.18256	1.3
401.17505	1.3
402.18649	1.4
403.19067	4.8
404.19775	3.1
405.20648	1.4
413.17972	0.9
415.19510	0.9
416.20227	1.3
417.16568	2.7
417.20959	3.3
419.22604	6.9
420.23724	1.0
431.17664	5.3
431.23337	1.2
443.18738	1.3
445.20255	6.8
446.20929	5.8
447.21637	9.0
459.17282	2.7
459.22571	1.4
461.19696	3.8
474.20322	11.4
475.21100	19.4
487.21274	4.4
501.22510	4.5
505.26028	1.4
509.91284	0.9
529.21600	0.9
533.25476	11.5
561.24774	50.0
589.24176	3.1
593.27539	1.0
621.26862	100.0
622.26758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49788	1.3
53.00275	1.3
53.03923	7.9
54.81096	1.4
55.01853	6.4
55.05496	31.1
57.03421	11.4
57.07057	1.2
59.04986	1.3
59.67652	1.1
67.05148	2.6
67.05479	38.1
69.03391	12.3
69.07036	14.4
70.82056	1.3
71.01338	1.5
71.04964	8.8
79.05465	39.8
80.76997	1.4
81.03389	100.0
81.07021	42.7
83.04951	19.2
83.08585	22.1
85.02875	24.0
85.06512	2.3
89.55310	1.3
91.04900	2.3
91.05453	46.4
93.07000	31.9
95.04938	36.1
95.08561	17.9
97.02863	13.9
97.06491	6.6
97.10126	8.0
99.04411	5.2
103.05409	3.0
105.06983	42.8
107.04903	17.1
107.08553	20.1
109.02852	17.2
109.06474	9.9
109.10109	6.0
111.04407	8.2
111.08058	6.0
115.05405	2.8
117.06986	10.9
119.04895	3.3
119.08540	30.6
121.06458	7.8
121.10116	14.2
123.04387	3.1
123.08004	2.8
123.11654	3.5
125.02328	1.9
125.09605	6.0
127.03870	5.9
129.06964	23.2
131.04895	3.3
131.08534	15.8
133.06467	6.0
133.10074	15.7
135.07965	1.7
135.11641	3.0
137.09503	1.6
141.06947	2.8
142.07776	3.2
143.08536	8.5
145.06464	3.2
145.10077	8.5
147.04370	5.4
147.07999	7.5
147.11612	17.9
149.05919	1.9
149.09573	7.5
155.08545	3.1
157.06380	1.6
157.10075	14.0
159.07962	3.1
159.11749	2.7
161.05952	5.4
163.11102	8.2
165.12686	2.0
169.10054	1.8
171.07980	1.8
171.11548	1.4
173.04399	2.2
173.05933	6.2
173.09511	1.7
175.11079	12.9
175.14792	2.7
179.08440	1.8
183.11644	1.6
185.09674	1.4
185.13281	1.4
189.05397	3.1
189.12643	2.0
191.10515	1.6
193.12186	21.7
211.11249	2.6
211.13162	18.9
227.14339	2.4
237.12656	2.1
255.13713	3.2
267.15924	15.4
273.14783	8.0
285.10013	1.8
285.16879	7.5
301.14279	12.0
367.22296	1.9
375.17822	2.4
393.18939	2.5
411.20303	1.5
459.27164	7.3
477.28247	7.7
495.29315	2.5
567.29626	2.1
573.30084	2.0
585.30133	10.4
603.30994	9.7
621.32562	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	621.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97974	0.6
64.53410	0.6
76.62673	0.7
117.72552	0.8
133.23636	0.7
159.12056	0.7
168.79387	0.7
186.12805	0.8
199.93948	0.9
221.10793	1.0
233.10442	0.9
238.38069	0.7
265.97073	0.8
375.15881	1.2
387.15988	1.3
388.16586	1.0
389.17590	5.1
390.18332	1.4
401.17773	1.0
402.18500	1.6
403.19083	7.8
404.19952	4.2
405.20444	3.2
415.19333	1.5
416.15848	1.2
417.16534	3.9
417.20731	4.9
418.21729	1.4
419.22174	14.3
429.17062	0.9
430.17490	1.7
431.18024	11.1
432.19293	3.6
433.20065	1.5
443.18271	1.2
445.20041	10.5
446.20941	7.7
447.21567	15.4
459.21750	4.5
460.18460	1.1
473.23740	1.3
474.20212	14.2
475.21039	19.7
487.21103	5.2
488.21942	3.1
491.20679	0.9
501.22806	2.8
533.25336	17.2
546.21686	1.0
561.24744	82.7
562.25110	1.0
589.24249	3.4
593.27466	4.9
621.26843	100.0
622.27380	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	620.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.5
55.01844	1.3
55.05500	5.6
57.03412	5.4
61.02911	0.7
62.18237	0.5
64.32134	0.6
65.03893	0.7
67.05476	5.5
69.03407	11.7
71.04980	1.1
73.59355	0.6
75.04460	5.2
79.05462	20.9
81.03385	12.1
81.07026	7.0
83.04945	2.3
85.02881	7.2
91.05446	19.3
92.08772	0.9
93.07009	100.0
95.04940	5.7
95.08544	5.7
97.02864	7.5
97.06474	0.7
99.04435	1.1
103.05368	0.5
103.09827	0.6
105.04529	0.6
105.07006	11.1
107.04909	2.7
107.08556	15.1
109.02834	4.0
109.06512	1.0
109.10114	3.8
111.04408	0.6
111.08037	6.0
117.06963	2.0
118.34760	0.5
119.04904	8.9
119.08538	14.1
121.06487	2.4
121.10101	79.5
123.04384	4.7
123.08020	2.9
123.11674	0.8
127.03872	3.6
129.06892	0.9
131.04932	0.7
131.08539	6.3
133.06474	0.6
133.07536	1.0
133.10092	1.2
135.07942	0.8
137.05888	0.7
137.09558	0.8
139.11145	3.2
145.04863	0.8
145.10081	1.2
147.04353	10.3
147.07996	0.7
149.09566	15.8
153.92175	0.5
155.08511	0.6
159.10201	0.6
163.03879	0.6
167.06972	2.9
167.08424	0.7
167.10603	12.6
174.06819	0.8
175.07550	1.2
175.11116	0.9
177.05246	0.6
195.07957	2.7
223.07483	3.6
225.09056	0.7
241.08543	4.7
245.09604	0.6
251.07124	0.9
253.08830	0.6
257.07971	11.8
265.08414	0.7
267.06458	1.2
269.07990	11.5
281.07892	1.2
283.15247	0.7
291.10059	0.8
293.08041	2.4
293.13788	3.1
309.11124	8.3
311.14767	9.7
326.01883	0.6
377.17377	2.8
387.15948	0.9
397.06683	0.6
401.17545	0.8
405.16891	11.7
423.17810	4.7
429.16757	2.3
447.17548	3.0
465.00470	0.7
513.19031	1.2
530.43695	0.8
531.19684	2.6
549.20856	1.4
567.22308	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.36639	0.4
61.55063	0.4
62.74372	0.4
63.26995	0.5
71.59204	0.5
81.55761	0.5
82.89150	0.5
82.92564	0.5
83.69233	0.4
84.31329	0.4
86.17116	0.4
92.42096	0.5
121.20374	0.5
134.60298	0.5
162.08571	0.5
233.10710	0.6
324.14923	0.6
333.52106	0.5
374.15454	0.8
375.15857	1.0
387.15967	0.7
388.16690	2.1
389.17459	3.8
390.18396	1.2
391.19098	0.8
401.17648	1.2
402.18460	1.1
403.14816	0.7
403.19348	6.6
404.19910	3.4
405.20590	4.5
416.15707	0.9
416.20694	0.6
417.16855	5.8
417.20853	4.5
418.17166	0.7
418.22031	0.8
419.22244	11.3
420.22806	0.8
429.16614	0.7
430.17343	0.8
430.22424	0.6
431.17920	10.7
431.23441	1.0
432.18866	4.1
433.19885	4.8
445.20044	10.6
446.20901	9.2
447.21597	15.4
459.21805	3.2
460.18399	0.9
461.19797	2.9
473.18771	1.0
473.24060	0.9
474.20255	9.7
475.21143	12.5
487.21432	4.4
491.20306	2.1
501.22534	2.3
505.26157	0.9
519.20148	1.0
529.21973	0.7
533.25342	22.8
561.24744	31.5
589.23846	0.7
593.27136	5.2
621.26862	100.0
622.27142	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	620.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01851	1.0
55.05500	3.4
57.03416	5.7
65.03901	0.5
67.05477	2.6
69.03402	15.0
71.04951	0.9
72.62826	0.5
73.02895	0.4
75.04453	5.3
75.04824	0.7
79.05461	19.9
81.03384	13.4
81.07024	4.8
83.04952	2.0
85.02870	7.8
87.04435	0.8
91.05444	18.0
92.08687	1.2
93.07005	100.0
94.07365	0.6
95.04925	5.0
95.08553	3.9
96.04581	0.5
97.02862	8.2
97.06503	0.8
99.04406	2.4
103.05409	0.8
105.06998	11.5
107.04916	35.0
107.08559	12.4
109.02840	5.2
109.06506	1.0
109.10118	2.7
111.04367	0.6
111.08018	4.0
116.06187	0.5
117.06960	2.2
119.08536	21.1
119.09400	0.7
119.55328	0.5
121.02819	0.6
121.06456	3.9
121.10095	79.0
122.10465	0.6
123.04415	0.8
123.08044	2.1
123.11637	0.9
127.03882	3.3
129.06921	0.8
131.04878	0.6
131.08522	7.2
135.04347	6.2
137.05972	0.6
137.09599	0.6
139.11142	3.1
145.04918	0.8
145.06372	0.6
145.10098	0.8
147.04378	2.7
147.08052	0.9
149.05885	0.8
149.09572	16.3
151.03891	0.7
155.08379	0.7
156.13503	0.5
157.13271	0.5
159.04395	1.0
159.07956	0.7
163.03836	15.9
163.05182	0.6
167.06975	0.6
167.10626	11.5
171.08060	1.0
173.05925	0.5
175.03838	29.8
177.05476	0.7
183.07979	0.8
185.09555	0.6
189.05331	0.8
193.04951	1.1
195.08031	0.7
197.05978	0.6
198.06616	0.5
205.04929	2.3
211.36151	0.5
215.06995	2.3
223.07411	1.2
227.86967	0.5
239.07042	0.6
241.08495	3.9
251.06946	3.3
253.08585	0.7
257.07944	6.8
258.13318	0.5
269.07980	22.4
279.64828	0.5
281.07916	1.9
283.09512	0.6
283.15302	0.9
293.07925	0.6
293.13708	3.0
299.09137	1.1
307.09561	0.8
309.11200	4.0
311.14871	6.1
349.14246	2.0
359.09375	0.5
377.17331	3.0
387.15784	0.7
405.16855	6.8
423.17905	7.4
429.16763	1.0
447.17651	1.0
471.17554	0.6
485.19577	0.7
513.18677	0.7
531.20020	6.2
549.20819	5.3
567.22028	17.1
614.90649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05603	1.5
55.05483	8.7
57.07050	2.2
67.05480	10.2
69.07046	13.5
79.05451	8.8
81.07028	23.7
83.08575	7.0
91.05457	17.4
93.06999	27.2
95.04926	22.1
95.08569	40.2
96.47924	1.5
97.06483	2.3
100.11618	1.4
105.06991	22.7
107.04928	33.7
107.08563	36.0
107.09238	2.7
109.10122	20.2
111.08027	2.5
114.34879	1.4
117.06960	2.6
119.04893	30.7
119.08537	40.0
121.06442	3.2
121.10091	29.9
123.04375	90.5
123.11646	11.6
125.09566	1.7
131.08513	14.1
133.09196	2.3
133.10095	33.2
135.11638	16.1
137.13181	2.1
143.08516	8.3
145.10071	18.4
147.04362	100.0
147.11649	22.4
149.13196	10.6
157.10078	7.3
159.11652	19.4
161.13206	11.7
163.11172	2.0
163.14757	5.2
165.05414	28.6
171.11595	6.7
173.13181	8.3
175.14703	15.3
177.09039	2.3
177.16328	10.7
185.13155	3.1
187.14790	14.4
189.16309	20.8
191.17900	2.9
197.13208	1.4
199.14764	2.3
201.16341	20.1
203.17905	16.9
205.15820	3.4
213.16302	10.2
215.17876	33.8
217.19426	1.5
219.17419	6.6
247.16864	3.4
253.19405	1.6
261.18454	10.6
269.22501	2.2
280.43866	1.5
299.20087	2.1
352.34384	1.4
357.98767	1.5
391.33466	5.3
407.33011	6.5
409.34552	6.1
411.32037	2.8
435.32245	2.0
437.34018	18.2
446.14294	1.6
619.37732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01843	3.1
57.03411	0.7
61.02895	2.6
65.03914	1.4
65.05913	0.6
67.05462	4.2
69.03390	4.2
70.06590	0.6
79.05454	1.2
81.03378	3.3
85.02885	8.3
91.05446	5.0
95.04928	79.0
96.05252	0.8
97.02859	3.6
98.97485	0.6
99.04395	0.6
103.05419	3.0
105.03415	0.6
105.04501	4.4
105.06999	1.1
106.04148	0.9
106.56355	0.6
107.04929	3.7
109.02824	1.2
119.04915	8.5
121.06511	4.7
123.04383	100.0
127.03854	2.8
131.04881	5.6
133.02831	6.2
133.06462	0.6
135.04356	0.8
136.05124	0.7
136.06108	1.1
137.05917	17.4
140.04645	27.2
145.04903	1.0
145.06444	1.5
147.04366	10.4
149.05922	6.8
151.03856	0.8
151.07494	4.7
155.06982	51.2
159.04372	2.6
161.05939	1.5
163.03835	4.0
163.07385	1.4
165.05392	2.8
167.06972	56.9
174.03101	0.6
175.07124	0.6
177.05406	17.6
178.06026	0.8
179.06982	9.4
181.08519	0.8
183.06468	80.9
183.14629	0.6
187.07523	0.9
191.06987	2.5
193.08485	3.4
195.06429	2.4
207.06450	1.1
209.08104	7.8
211.09602	2.9
215.06889	0.9
221.08058	1.4
225.07468	7.3
227.06961	0.7
227.09084	16.1
243.08632	1.4
266.16763	0.7
315.12262	0.6
327.12170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3984
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
54.81358	2.1
55.05500	10.7
57.07048	3.9
67.05477	15.4
69.07040	16.1
75.45550	2.2
77.18202	2.1
79.05457	10.7
81.07036	28.9
83.08602	5.5
87.00874	2.2
89.80760	2.6
91.05437	27.6
93.07008	26.0
95.04972	3.0
95.08569	51.1
97.10114	2.9
105.06995	21.1
105.49001	2.2
107.08564	39.3
109.09521	2.4
109.10126	21.7
117.07002	3.1
119.04920	33.6
119.08514	22.3
121.10091	37.5
123.11662	5.4
131.08513	8.9
133.10080	23.3
135.11636	20.0
137.13226	16.0
145.10063	11.8
147.04369	100.0
147.11626	21.1
149.13228	14.2
157.10094	9.7
159.11624	11.8
161.13260	3.5
163.14793	2.6
165.05389	3.4
171.11667	5.4
173.13197	5.7
175.14790	9.7
177.16338	18.4
185.13251	3.3
186.71236	2.5
187.14758	5.9
189.16313	13.6
199.14699	4.5
201.16364	9.3
203.17912	17.8
213.16295	4.6
241.19472	9.9
259.16907	4.2
299.20093	3.2
391.33234	3.6
409.34360	8.2
437.34009	20.8
473.70578	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33042	0.3
53.00275	0.4
53.03900	0.3
55.05492	5.4
57.07044	1.8
61.75194	0.3
67.05478	5.6
69.07041	7.3
76.25903	0.3
77.54863	0.3
79.05469	3.9
81.07024	15.0
83.08594	6.8
87.04420	1.8
91.05443	15.0
92.08700	0.7
93.07015	11.6
95.04934	0.5
95.08572	26.0
97.06448	0.3
97.10158	1.3
100.94553	0.4
103.05453	0.4
105.06996	14.6
107.08559	21.3
109.06479	0.6
109.10124	13.0
111.08071	0.6
113.50350	0.4
117.06980	2.0
119.04904	26.5
119.08535	25.1
121.10101	19.9
121.10988	0.6
123.04374	0.6
123.11667	7.7
125.05947	0.5
126.79304	0.4
129.06984	0.7
130.07793	0.5
131.08531	5.5
133.10092	18.2
135.11653	10.9
137.13211	2.5
139.07481	0.4
143.08511	3.6
144.55765	0.3
145.10081	12.3
147.04369	100.0
147.11650	15.9
148.04672	0.6
149.13223	7.0
151.14746	0.4
153.09062	1.8
155.08531	0.7
157.10092	2.5
158.10915	0.9
159.11644	10.9
160.12415	0.5
161.13200	8.9
163.07430	0.5
163.14758	3.6
165.05403	16.8
167.10539	0.4
169.10101	0.6
171.11610	2.1
173.13211	5.6
175.14746	9.1
177.09036	1.5
177.16331	8.5
183.11667	1.5
185.13219	1.7
187.14734	5.1
189.16322	15.0
191.17915	3.9
197.13145	0.7
199.14703	1.9
201.16316	12.0
203.17885	16.5
204.18251	0.4
205.15828	2.0
207.17407	2.1
211.14775	1.5
213.16316	3.7
215.17877	19.1
217.19485	1.6
225.16277	0.4
227.17950	0.6
229.15909	0.5
229.19376	0.6
231.17493	0.4
235.16890	1.6
239.17978	0.5
241.19386	1.5
243.20993	1.8
245.22588	0.4
247.16832	4.4
249.18364	0.7
253.19450	1.7
255.21078	1.8
259.95297	0.4
261.18408	7.3
267.21078	1.5
269.22546	1.5
287.20004	0.5
292.65109	0.5
295.24005	1.6
299.19901	1.3
301.21414	0.6
326.75137	0.4
337.28864	0.4
355.26395	0.5
391.33353	5.4
394.28494	1.4
402.47784	0.4
409.34515	5.2
411.32361	5.0
417.59601	0.4
425.99759	0.4
437.33987	21.8
438.34500	0.5
502.30984	0.4
608.25159	0.4
619.43311	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3979
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.72069	0.3
53.00271	0.4
53.03917	0.3
55.05491	5.7
57.07055	2.5
65.03906	0.3
65.22115	0.3
65.74702	0.3
67.05477	5.2
69.07039	8.4
73.49451	0.3
76.27124	0.3
79.05455	3.9
81.07027	14.0
83.08207	0.4
83.08597	6.3
83.15804	0.3
87.04431	4.6
89.32030	0.3
91.05437	13.7
93.07008	11.1
95.04876	0.6
95.08568	23.6
97.10108	1.5
105.06287	0.6
105.06989	15.5
107.08558	19.2
109.06492	0.4
109.10120	11.3
112.14442	0.4
117.06947	1.6
118.29261	0.3
119.04900	29.3
119.08540	25.7
121.10098	17.8
123.04388	0.5
123.07974	0.4
123.11664	5.6
129.06952	0.8
131.08516	5.0
133.10085	18.3
135.10660	0.7
135.11636	10.8
136.51126	0.3
137.09586	0.5
137.13225	2.4
141.73466	0.4
143.08495	2.7
145.10075	10.9
147.04364	100.0
147.11644	14.9
148.04729	0.7
149.13210	6.7
151.11160	0.5
151.14748	0.4
153.09081	0.8
157.10088	2.3
158.10867	0.7
159.11630	9.2
159.12813	0.6
159.31723	0.4
160.12440	0.5
161.13171	8.3
163.11081	0.6
163.14783	4.9
165.05412	17.2
169.10095	0.6
171.11624	2.2
173.13184	6.1
174.13788	0.5
175.14752	10.8
177.16283	7.6
183.11557	0.7
185.13190	0.7
187.14746	4.6
189.16307	18.8
191.17908	2.6
193.15948	0.4
199.14749	2.5
201.16316	17.1
202.16608	0.3
203.17883	18.6
205.15717	1.1
207.13570	0.4
207.17406	2.3
213.16316	5.6
215.17877	16.1
217.19441	1.7
225.16362	0.5
227.17857	1.9
229.19446	1.8
235.16840	1.9
239.17897	0.6
241.19417	3.0
243.21123	1.7
247.16850	2.0
249.18405	1.5
253.19437	0.5
255.21034	2.0
259.16928	0.6
261.18332	4.9
267.20990	0.9
269.22379	0.7
281.22433	0.4
287.20065	0.5
299.19925	0.5
305.00998	0.4
349.28806	0.5
391.33450	5.3
394.28448	0.4
409.34537	6.3
411.32257	5.0
437.33975	19.4
455.35040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.3
55.05493	7.2
57.07056	3.9
59.16656	0.3
60.33880	0.4
62.75537	0.3
65.03891	0.5
66.45420	0.3
66.73700	0.3
66.89197	0.3
67.05476	9.2
67.29858	0.4
68.18469	0.5
69.07039	11.1
71.04934	0.4
71.08600	0.6
79.05459	4.7
80.28133	0.3
81.06544	0.7
81.07025	20.5
83.08589	8.2
91.05441	20.6
93.07005	18.4
95.04926	1.7
95.08568	34.6
97.06503	0.4
97.10143	1.6
105.06285	0.7
105.06992	21.8
107.08559	28.0
109.06509	0.8
109.10118	15.1
111.08069	0.5
111.11610	0.4
117.06951	2.7
119.04895	33.1
119.08532	35.6
120.84779	0.4
121.10098	24.6
123.04388	1.5
123.07973	0.8
123.11653	7.6
129.06934	1.5
130.07751	0.5
131.08524	7.6
133.09070	0.8
133.10086	25.4
135.11635	14.7
137.09595	0.4
137.13219	3.5
143.08521	3.9
145.10075	13.4
147.04361	100.0
147.11639	19.4
148.04739	0.7
149.13220	10.8
151.14717	0.4
153.09052	1.4
155.08450	0.7
157.10049	3.6
158.10876	1.5
159.11635	14.3
159.12950	0.5
160.12434	0.7
161.13196	11.8
163.11140	0.5
163.14729	6.6
165.05409	10.3
165.12634	0.5
169.10040	0.8
171.11601	2.9
173.13196	7.8
173.64809	0.4
174.13768	0.4
175.14757	14.9
177.08966	0.5
177.16327	11.1
183.11658	1.9
185.13245	3.3
185.14673	0.4
187.14746	6.5
189.16316	23.2
191.17867	4.6
193.15855	0.4
197.13222	1.5
199.14746	2.8
201.16309	20.2
203.17888	25.8
205.15843	0.9
205.19302	0.7
207.17372	3.8
211.14848	0.6
213.16319	8.4
215.17882	15.3
217.19438	2.2
219.17328	0.7
221.15312	0.6
225.16405	0.5
227.17914	1.5
229.19458	2.4
233.18961	0.4
235.16718	1.4
239.17780	0.7
241.19408	4.1
243.20976	2.5
247.16867	3.0
249.18526	0.5
253.19449	1.9
255.20981	2.2
258.10544	0.4
259.16830	2.4
261.18335	3.9
267.20969	2.8
269.22458	1.6
287.19879	0.5
299.19693	0.6
348.28152	0.4
353.02692	0.4
391.33524	5.3
394.28735	0.6
399.38855	0.4
409.34454	7.6
411.32117	4.9
437.33975	23.3
447.75256	0.4
455.34882	0.8
600.93317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.05496	7.8
56.04446	0.5
57.07053	5.3
67.05480	9.5
67.67797	0.6
69.07043	11.1
71.08606	0.8
75.49152	0.7
79.05473	5.9
81.07025	19.4
83.08600	9.8
87.04435	12.9
88.04768	0.9
88.21307	0.7
91.05442	17.8
91.64491	0.6
93.07013	17.3
95.04923	1.4
95.08572	36.6
97.10128	1.1
105.07000	23.0
107.08562	32.3
109.06548	1.0
109.10125	16.1
111.08057	2.6
117.06974	3.5
119.04899	38.0
119.08536	37.6
121.06499	1.1
121.10108	26.8
123.11655	9.5
129.07018	0.6
131.08510	7.9
133.10081	29.4
135.11652	16.9
136.41032	0.7
137.13196	2.5
143.08528	4.0
144.09273	1.3
144.37361	0.8
145.10095	13.9
146.10942	0.8
147.04372	100.0
147.11646	19.6
149.13228	8.7
153.09045	1.6
157.10112	3.6
158.10893	1.3
159.11624	13.6
160.12370	1.2
161.13208	11.4
163.07370	0.9
163.11073	0.8
163.14746	5.2
165.05411	11.5
171.11597	4.7
173.13210	6.9
175.14763	12.6
177.09067	3.1
177.16321	11.9
183.11647	1.5
185.13239	2.5
187.14746	4.8
189.16330	18.2
191.17839	5.4
197.13203	1.1
199.14754	2.8
201.16350	14.3
203.17888	22.9
205.15828	3.9
207.17383	1.4
211.07028	0.7
213.16301	4.8
215.17897	21.7
217.19501	1.5
225.16417	1.0
227.17825	1.3
229.19543	0.8
235.17076	2.2
239.17836	0.8
241.19545	1.5
243.21051	2.8
247.16898	3.7
249.18524	1.0
253.19286	1.2
255.20978	0.9
261.18408	9.5
267.20972	0.9
295.24231	1.0
391.33554	6.2
394.28479	1.5
409.34702	6.4
411.32394	6.8
437.34006	28.4
438.33771	0.8
619.42053	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	618.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.1
55.01842	0.1
55.05483	0.1
59.43671	0.1
64.74166	0.1
65.03938	0.1
67.05486	0.1
69.03432	0.1
69.07006	0.1
69.43394	0.1
70.86649	0.1
74.82959	0.1
78.04678	1.1
79.05460	1.4
81.03403	0.1
81.07004	0.4
91.05424	0.9
92.08705	0.1
93.07007	0.7
95.04926	0.9
103.05410	0.4
105.03388	0.1
105.06999	1.2
106.04140	0.7
107.04916	1.9
109.02843	0.1
109.06493	0.3
115.05380	0.1
117.42608	0.1
118.04150	0.1
119.04868	0.4
119.08533	0.1
121.06459	1.1
121.10118	0.1
123.04379	3.7
124.05170	1.9
125.05975	0.1
128.06200	0.1
129.06956	0.5
131.04836	0.2
131.08510	0.4
133.06430	0.9
133.10072	0.1
134.03598	0.4
135.04364	0.3
135.08025	0.2
137.05919	0.7
143.08572	0.1
145.06439	0.1
147.04369	0.1
148.05199	0.2
149.05904	1.2
149.09695	0.1
151.03860	0.7
151.07463	0.7
152.04659	1.6
153.05438	0.3
157.06461	0.4
158.07239	0.1
161.05916	1.9
161.09544	0.4
162.85704	0.1
163.07497	0.4
165.09036	0.4
166.06206	0.5
167.06970	100.0
168.07335	0.6
174.06699	0.1
175.07484	0.4
177.05382	0.1
177.09009	0.1
179.06903	0.4
179.08447	0.1
181.08531	3.1
181.10136	0.1
189.09007	1.2
191.06966	0.3
193.06737	0.1
193.08530	3.0
195.08038	0.1
195.09949	0.1
197.09607	0.1
201.09044	0.1
207.08034	0.1
207.10092	0.4
211.09566	5.0
216.08661	0.1
219.08078	0.1
219.10020	0.1
223.07480	0.1
225.08981	0.3
237.08850	0.1
247.07385	0.1
248.08189	0.1
251.10402	0.1
253.08449	0.3
257.11655	0.2
265.08514	0.1
271.13553	0.1
279.10062	0.1
283.09732	0.1
283.13278	0.1
285.11014	0.4
287.05267	0.6
288.05707	0.4
302.11438	0.1
311.12689	0.1
315.12061	0.2
317.13809	0.3
343.15128	0.2
361.16309	3.0
371.14667	0.1
387.17819	0.1
399.17688	0.3
417.18909	0.1
553.24084	0.1
562.79791	0.1
571.50897	0.1
628.26868	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	617.401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00744	0.6
53.79140	0.6
55.05495	0.8
57.02044	0.7
57.03416	0.9
67.05479	6.0
67.76366	0.6
69.07064	1.3
73.46725	0.9
79.05464	1.7
81.07022	5.3
91.05447	3.2
92.08700	0.9
92.63142	0.7
93.07022	4.6
95.04938	0.8
95.08574	3.0
105.06993	1.0
107.08566	1.2
109.10117	1.1
119.08588	1.2
121.10092	1.4
123.08058	1.0
131.08502	1.0
136.79150	0.9
165.59370	0.8
281.27753	0.8
283.15036	12.9
335.25787	1.1
339.17743	1.9
486.90179	1.0
550.60468	0.8
617.40045	100.0
618.40186	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	617.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
60.23095	0.7
66.80488	0.8
66.97031	0.8
67.05481	6.2
69.07035	0.9
76.45240	0.8
79.05453	3.9
81.07037	4.7
91.05461	1.6
92.09360	3.0
93.07010	4.2
95.08591	3.6
105.07029	1.3
107.08612	1.5
109.10120	1.1
119.08609	1.3
121.10083	1.5
257.32568	0.9
283.15048	14.7
339.17618	6.5
339.98959	0.9
366.11359	1.0
390.68420	1.0
507.17395	1.1
617.40051	100.0
618.40497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43368	2.0
55.01862	1.8
55.03924	1.8
55.05496	37.9
56.96552	3.2
57.03419	4.6
57.07055	15.4
61.02903	2.5
67.05487	16.5
69.03407	8.2
69.07050	8.2
73.64082	2.1
79.05466	20.7
81.07024	30.5
83.04958	4.7
83.08592	38.5
84.27229	2.1
84.50629	1.9
85.02875	2.6
85.06522	11.5
91.05446	36.7
93.07021	36.8
95.04942	13.9
95.08570	24.6
97.06526	10.4
105.06987	38.3
105.23556	2.2
107.04928	22.3
107.08562	34.2
109.06483	10.4
109.10120	14.8
113.09634	3.1
117.06985	11.5
119.04881	11.4
119.08541	41.3
121.06447	9.2
121.10089	21.3
123.04366	24.2
123.08047	17.2
123.11674	4.9
125.09624	10.1
128.06146	3.2
129.06947	9.1
130.07782	2.9
131.08534	21.5
133.10100	28.7
133.37494	2.0
134.40631	1.9
135.08044	11.8
135.11688	9.1
137.09593	11.6
139.11140	4.5
142.07745	9.0
143.08540	25.0
144.09296	4.1
145.06436	3.0
145.10097	40.2
147.04370	29.2
147.08020	15.5
147.11638	15.6
151.07500	15.1
155.08510	8.6
156.09271	4.6
157.10034	24.8
159.11620	25.8
161.09555	2.5
161.13255	8.1
163.11139	4.4
165.05455	2.9
165.09030	21.4
169.10036	17.7
170.10777	2.7
171.10312	2.7
171.11522	16.3
173.13139	7.4
175.11223	3.6
175.14861	3.8
177.09064	2.4
179.08502	2.8
179.14294	2.4
181.10048	3.7
181.12201	12.3
182.10773	4.0
183.11678	12.3
185.13187	9.7
187.11139	4.5
187.14758	3.0
189.12805	4.6
189.15915	2.5
193.10052	3.9
195.11682	12.8
197.13184	9.3
199.14743	4.3
201.16290	3.7
203.14282	10.7
207.11679	3.4
207.13701	5.3
209.13171	5.5
211.14731	2.8
220.12297	4.4
221.13351	5.3
221.15251	26.0
223.14647	3.9
225.12672	2.8
233.15254	8.5
235.14822	3.4
247.14572	3.6
247.16925	3.0
287.19891	2.9
374.76019	2.6
521.71777	2.6
525.35620	56.6
548.80780	2.5
617.41797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.05489	7.4
57.07053	3.6
58.28603	0.5
59.04968	0.9
65.03891	1.0
66.64349	0.4
67.05481	9.4
69.07041	9.6
69.31097	0.4
76.01221	0.5
76.01901	0.5
79.05462	6.6
81.07024	16.7
83.04955	1.0
83.08594	8.6
85.06519	0.6
91.05443	20.4
93.07009	18.7
95.04931	20.3
95.08570	27.8
96.05437	0.6
97.06508	1.2
99.08072	0.9
103.05434	0.9
105.06992	20.9
107.04918	74.5
107.08554	26.8
109.06471	1.9
109.10117	20.9
109.10870	0.8
111.08029	1.1
115.05393	0.7
117.06986	5.5
119.04897	33.0
119.08533	39.5
121.06467	10.0
121.10097	23.1
121.10963	0.8
123.04381	90.2
123.08011	3.2
123.11675	7.3
125.09592	2.6
129.06929	3.8
130.07817	0.7
131.08522	13.1
133.09076	1.0
133.10081	26.0
135.07993	0.8
135.11636	11.9
137.05888	0.6
137.09601	1.0
137.13185	4.7
139.11143	0.9
141.06927	0.9
142.07715	2.9
143.08519	10.4
143.31779	0.5
144.09283	2.2
145.10074	27.9
147.04361	100.0
147.11641	18.1
149.05927	2.2
149.09554	1.1
149.13197	10.4
151.07463	0.8
151.11174	1.1
152.27934	0.5
153.09062	0.8
154.07744	0.5
155.08478	3.8
156.09314	2.6
157.10089	12.7
158.10857	2.6
159.11639	19.5
161.13190	14.3
163.07448	2.2
163.11082	2.2
163.14781	6.6
165.05403	14.5
165.12669	0.7
167.08600	0.8
169.10043	6.9
170.10799	1.3
171.11624	11.6
172.12395	0.9
173.13205	16.6
175.11176	0.5
175.14752	18.5
177.09053	0.7
177.16357	4.2
181.09996	0.9
182.10886	2.2
183.11641	5.8
184.12431	2.0
185.13182	8.0
187.14751	15.0
189.08995	0.7
189.16304	8.2
191.10558	0.7
191.17950	0.7
193.15800	3.6
195.11615	2.9
197.13187	7.2
199.14754	14.0
201.16318	19.7
203.17924	4.0
203.19525	0.5
205.15837	4.0
207.17484	0.7
209.13168	3.3
209.15140	0.6
211.14737	7.3
213.16310	14.7
215.14215	1.0
215.17818	4.4
215.31779	0.5
217.12115	0.6
217.15735	1.2
219.13721	1.0
219.17354	1.2
221.13245	1.0
221.15337	2.3
223.14732	2.6
225.16338	3.9
227.17786	4.1
229.19473	2.3
231.17322	1.9
233.15257	2.3
237.16190	2.3
239.17842	4.1
241.19379	5.2
243.20969	0.7
245.15312	3.1
247.16795	0.7
249.16313	0.6
251.17844	2.1
253.19427	4.0
255.20990	1.1
259.16788	4.3
265.19540	0.8
267.20941	2.8
279.21042	0.9
281.22675	1.0
291.20959	0.7
293.22354	0.8
299.20053	0.9
307.20569	0.6
349.28745	0.8
355.97690	0.5
363.30496	1.0
387.30466	1.2
389.31805	3.1
395.29227	2.9
405.31354	17.5
407.32886	10.1
409.30713	0.8
423.32559	2.4
425.33893	3.6
433.30771	9.1
435.32489	4.6
445.58112	0.6
451.32043	6.5
453.33530	7.2
525.35291	2.4
599.37335	1.0
617.42340	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	617.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
54.80791	0.9
55.05492	10.9
57.07053	2.4
64.32281	1.0
67.05476	8.4
69.03406	1.0
69.07030	7.7
70.64671	0.9
79.05451	6.6
81.07029	24.1
83.08588	10.1
85.06519	1.6
91.05453	24.1
93.07003	19.3
95.04935	21.9
95.08561	28.7
99.08055	1.4
105.06997	28.7
107.04922	77.0
107.08560	34.2
109.06456	2.1
109.10114	20.6
109.21301	1.0
117.06979	3.9
119.04903	29.3
119.08540	50.2
121.06453	10.2
121.10094	21.7
123.04385	90.7
123.07980	4.7
123.11665	6.9
125.09581	2.3
129.06964	2.5
130.45796	1.1
131.08534	15.7
133.10092	27.2
135.08014	1.8
135.11649	12.3
137.13223	2.3
141.06935	1.4
142.07716	3.9
143.08528	11.3
145.10086	31.5
147.04367	100.0
147.07912	2.0
147.11647	17.5
147.20831	1.3
149.05862	1.2
149.13251	7.5
151.07491	1.9
151.11154	1.8
153.09026	1.2
155.08511	2.2
157.10060	15.3
158.10849	2.1
159.11642	20.0
161.09558	1.3
161.13202	10.1
163.07445	1.1
163.11169	1.3
163.14751	8.6
165.05423	17.6
169.10019	8.3
170.10849	1.5
171.11620	13.8
173.13173	15.6
175.14755	21.4
177.16325	5.2
179.14171	1.4
181.10072	2.2
183.11568	7.2
184.12424	1.8
185.13222	8.9
187.14754	16.2
189.16324	5.4
191.14331	1.3
191.17886	1.3
193.15816	2.0
195.11745	1.7
197.13200	7.9
199.14723	13.9
201.16327	18.2
203.14156	1.7
203.17880	2.4
205.15794	1.9
209.13225	4.5
211.11195	1.4
211.14714	6.1
211.16602	1.2
213.16283	14.6
215.14201	2.0
215.17918	2.2
219.13701	2.2
219.17374	1.5
221.13202	1.1
221.15245	4.3
223.14714	2.4
225.16287	3.6
227.17851	4.0
231.17368	2.4
233.15323	1.2
237.16292	1.7
239.17896	4.5
241.19406	5.3
245.15239	2.5
251.17880	1.3
253.19321	1.5
259.16785	3.6
263.17874	1.1
265.19324	1.8
267.20981	4.0
279.20990	2.0
281.22583	1.4
285.18246	1.6
293.22443	1.1
387.30438	2.0
389.31845	3.9
405.31354	18.8
407.32986	11.6
423.32092	1.5
425.33865	4.4
433.30978	8.5
435.32355	6.8
451.31964	8.0
453.33649	7.2
525.35352	10.4
533.55994	1.4
617.41742	14.8
646.49103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
55.39246	0.1
67.01827	0.2
67.05483	1.1
68.99767	0.2
69.03394	0.2
79.05436	0.8
80.33522	0.1
81.03376	1.1
81.07019	3.0
85.02872	0.2
85.73202	0.1
91.05464	0.3
93.07022	1.4
95.04908	0.2
95.08569	1.4
95.15866	0.2
97.02844	0.2
97.62972	0.1
99.04441	0.2
100.11198	0.2
105.06958	0.2
107.08539	1.0
109.06491	0.2
109.10094	0.7
111.04391	0.1
119.08555	0.2
121.10122	0.2
123.11644	0.8
133.10143	0.4
135.04391	1.9
137.02292	0.2
145.10101	0.2
147.21758	0.1
149.13097	0.2
151.11180	0.5
153.01779	5.7
154.58688	0.2
158.12910	0.2
161.02277	0.3
171.02811	0.7
194.15968	0.2
195.29675	0.1
219.06610	0.2
225.33931	0.1
241.04895	0.3
259.06055	0.2
267.18994	0.2
269.04355	0.3
286.51886	0.2
286.73941	0.2
287.05396	100.0
288.05701	1.2
295.15280	0.3
465.27240	0.2
468.98386	0.2
599.20844	2.3
617.45947	0.6
626.33069	0.2
631.07001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20940	0.1
50.44609	0.1
52.38461	0.1
67.01836	0.4
67.05477	0.2
68.99760	0.3
69.03394	0.2
69.07022	0.1
70.12733	0.1
72.67853	0.1
79.05445	0.1
79.71201	0.1
81.03385	0.4
81.07026	1.0
83.04951	0.1
85.02830	0.2
85.06508	0.1
85.21837	0.1
91.05453	0.4
93.07005	0.6
95.04933	0.2
95.08582	0.6
97.02839	0.2
97.06504	0.2
105.07001	0.5
107.04913	0.2
107.08540	0.7
109.02834	0.4
109.06521	0.1
109.10093	0.4
110.37212	0.1
111.04388	0.1
117.74902	0.1
119.08569	0.3
120.08066	0.1
121.10095	0.4
123.04364	0.1
123.11689	0.4
128.15703	0.1
129.01698	0.1
131.08466	0.1
133.10098	0.4
135.04362	1.3
135.11633	0.1
137.02296	0.6
137.05957	0.1
145.06453	0.1
147.04308	0.1
147.11633	0.1
151.11148	0.1
153.01767	4.2
159.07854	0.1
159.11674	0.1
161.02232	0.7
163.03891	0.1
167.06993	0.4
171.02846	1.2
179.03352	0.4
189.16296	0.1
201.05530	0.1
203.03333	0.1
213.05473	0.1
213.13165	0.1
219.06464	0.3
241.04884	0.4
259.06116	0.1
259.09286	0.1
263.05527	0.1
269.04340	0.4
287.05399	100.0
288.05743	3.2
289.05969	1.0
299.05621	0.6
335.12183	0.1
474.86334	0.1
557.41736	0.1
599.20966	2.5
617.28094	0.1
617.35791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.7
53.03683	0.6
53.03920	4.2
55.01848	1.5
55.05482	4.2
56.36541	0.6
57.03424	5.3
57.03637	0.5
58.37242	0.6
67.05486	5.6
68.99754	1.0
69.03398	16.1
69.07082	0.8
73.02888	0.7
74.08392	0.6
75.04434	2.9
79.05008	1.2
79.05457	26.7
81.03385	15.8
81.07017	7.5
83.08563	0.7
85.02865	11.9
91.05435	18.9
93.03350	0.8
93.06999	100.0
95.04925	7.6
95.08539	4.7
97.02844	9.2
97.06424	0.9
99.04422	1.8
105.04483	0.9
105.06989	14.3
107.04890	3.6
107.08556	13.6
109.02845	6.9
109.10104	7.9
111.00778	0.9
111.04388	1.1
111.08016	3.9
117.03319	0.9
117.06902	1.0
119.08520	14.1
121.06468	1.3
121.10089	69.0
123.04370	3.1
123.08025	3.3
127.03831	3.4
129.06995	1.2
131.08488	7.7
133.10089	0.8
135.04355	6.4
137.02283	1.6
137.05925	2.9
137.09540	1.3
139.03792	1.3
139.11125	3.2
141.01775	4.1
145.02795	3.6
149.02310	0.8
149.05875	0.9
149.09570	15.9
153.01775	23.6
159.04314	1.2
163.03839	26.7
165.01767	48.5
167.07045	1.0
167.10596	6.6
171.00169	0.7
171.02824	0.9
177.01723	1.4
179.03282	7.7
183.02803	35.4
187.03893	1.0
189.01778	9.1
191.03302	1.4
195.02823	10.7
203.03304	1.7
205.01277	0.9
205.04901	3.1
207.02829	8.9
215.03261	1.2
219.02803	1.5
221.04250	1.5
225.03839	4.1
231.02814	6.4
249.03835	0.9
261.04108	1.3
269.12149	1.5
273.03763	1.6
273.11139	1.1
285.10037	1.1
287.05338	7.1
288.05872	2.9
289.07010	13.7
293.13727	4.7
301.06912	22.8
301.10422	4.2
311.14774	3.7
313.06998	1.7
325.06897	9.1
331.08020	1.9
343.07928	4.7
367.08023	5.1
382.63773	0.8
397.08871	1.0
409.08710	1.3
427.13834	1.7
429.20975	0.8
437.15637	0.8
445.14609	4.9
463.15714	1.1
545.17651	1.0
616.33160	1.8
617.34247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20475	1.1
54.29902	1.2
55.05487	3.1
57.07058	1.6
66.85405	1.2
67.05467	9.8
69.07035	7.4
79.05448	3.2
81.07001	12.9
83.08580	3.7
87.82339	1.3
89.12975	1.5
91.05448	20.4
92.09338	4.5
93.07007	15.5
95.04939	20.9
95.08581	17.9
102.18085	1.5
105.07005	21.7
107.04220	2.6
107.04924	67.9
107.08565	25.2
109.10124	14.6
117.06960	2.9
119.04908	30.6
119.07750	1.6
119.08545	27.1
121.06451	9.3
121.10098	18.9
122.07894	1.7
123.04384	97.3
123.08020	2.0
123.11665	9.0
129.06952	2.3
130.07729	2.0
131.08534	14.4
133.10091	21.0
135.11673	7.6
137.13165	2.0
142.07695	2.9
143.08513	9.9
145.10078	26.6
147.04367	100.0
147.11621	16.6
149.09602	2.1
149.13206	3.0
155.08502	3.3
156.09340	2.6
157.10048	13.7
159.11626	11.1
161.13203	7.4
163.14716	2.3
165.05423	16.4
167.08554	2.0
169.10065	10.3
170.10860	2.7
171.11641	13.0
173.13121	11.9
175.14748	8.7
181.10118	3.4
182.10823	2.2
183.11615	10.3
185.13214	12.3
187.14775	9.8
189.16327	2.2
195.11551	1.5
197.13217	9.0
199.14775	16.6
201.16293	8.7
205.15825	1.9
209.13202	5.6
211.14771	9.8
213.16335	7.3
221.13162	2.0
237.16327	3.3
239.17841	6.4
239.37897	1.7
251.17810	2.3
253.19684	1.9
257.15250	3.0
277.19659	1.7
329.10983	1.7
387.30328	2.4
403.29630	9.9
405.31323	8.6
423.32214	2.2
431.29352	6.2
433.30670	8.1
449.30518	10.4
450.29712	1.8
451.32013	8.0
570.57867	1.6
590.77966	1.9
591.36011	1.8
592.34778	2.0
597.35529	2.2
604.31927	1.6
615.39532	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	616.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
57.07056	44.6
64.32627	2.1
67.05486	3.4
69.07042	3.4
71.08604	34.6
73.06523	11.4
79.05479	2.7
81.07023	9.3
83.08588	3.6
84.37727	2.1
85.02108	2.4
85.10162	26.6
87.04436	12.7
89.05998	100.0
93.07002	2.8
95.08581	2.9
107.07056	4.1
109.34409	2.2
117.09069	3.3
119.08544	2.6
133.08575	37.5
133.10063	2.8
137.41086	2.4
147.04372	2.7
177.11168	14.9
185.18927	2.8
221.13699	4.2
229.21532	9.4
273.24026	5.4
357.36526	2.6
453.28305	2.2
459.28027	4.1
477.79382	2.3
521.13806	2.3
599.43292	12.8
616.46033	8.3
642.54565	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04577	1.8
53.03922	3.9
53.05120	2.3
55.01859	3.6
55.05265	2.3
55.05498	25.7
55.05716	3.2
57.03424	24.3
57.07054	10.1
59.74878	2.3
61.96212	2.1
65.12643	2.6
66.87471	2.0
67.05156	3.7
67.05483	71.7
69.07041	36.5
76.81335	2.5
79.05470	31.1
81.03391	100.0
81.07029	72.7
81.80611	2.4
83.04942	9.8
83.08588	28.8
89.05994	17.6
91.05450	32.0
93.07008	24.3
95.04926	30.3
95.08580	52.0
95.09163	4.7
96.10295	2.6
97.06514	2.7
97.10145	12.0
105.06984	28.0
107.04916	5.2
107.08577	20.7
109.06516	3.8
109.10143	21.5
111.07990	8.7
111.98653	2.3
119.08549	25.8
121.06488	4.0
121.10091	14.5
123.06535	2.4
125.09568	3.1
125.40527	2.4
127.25813	2.4
129.06973	16.7
131.08530	12.6
133.06442	5.3
133.08549	3.9
133.10085	17.6
135.11646	4.1
147.08043	3.8
147.11673	12.3
149.09619	5.3
157.10078	16.8
175.11154	8.8
193.12210	25.1
198.24669	2.5
263.23788	4.0
267.15796	75.8
276.69995	2.5
337.27249	69.9
415.25235	5.2
431.83218	2.9
529.38641	64.2
547.39722	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	615.2058
Annotation	Resinoside A
Peak:m/z	Relative Intensity
51.13395	0.0
53.03904	0.1
57.03416	0.1
58.58535	0.1
67.01846	0.5
68.99763	0.3
69.03387	0.2
79.05474	0.6
81.03379	0.3
89.03906	0.1
91.05444	0.5
93.07005	1.9
95.04935	0.1
97.02843	0.3
105.06988	0.2
107.08559	0.5
109.02879	0.1
117.03313	0.1
119.08525	0.1
121.10105	1.8
127.03849	0.1
129.01775	0.1
131.08514	0.1
135.04372	1.8
137.02303	0.5
140.79567	0.1
143.59947	0.1
146.60576	0.1
149.09538	1.2
153.01775	5.0
157.06421	0.1
161.02272	0.5
167.10471	0.1
171.02817	0.6
171.04097	0.1
171.19753	0.1
179.03296	0.4
203.03328	0.1
213.05310	0.1
241.04771	0.5
245.04359	0.1
259.05939	0.1
263.05347	0.1
269.01971	0.1
269.04337	0.5
287.05389	100.0
288.05713	1.8
293.13751	0.4
311.14795	0.4
483.48380	0.1
576.43207	0.1
597.10376	0.1
597.19464	2.1
615.33008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32903	0.0
53.03916	0.1
55.05493	0.1
57.03416	0.1
57.52284	0.1
65.36761	0.1
67.01845	0.6
68.99758	0.3
69.03413	0.1
79.05465	0.6
81.03369	0.3
81.07009	0.1
85.02837	0.1
89.17998	0.1
91.05438	0.4
93.07009	2.1
95.04933	0.1
97.02859	0.3
99.04427	0.1
105.06987	0.2
107.08566	0.6
109.02825	0.1
117.03338	0.1
119.08518	0.1
121.09281	0.1
121.10092	2.1
129.01782	0.1
131.08540	0.1
135.04376	1.7
137.02289	0.3
149.09567	1.8
153.01775	5.2
161.02290	0.6
167.10748	0.1
171.02779	0.5
179.03317	0.3
189.05646	0.1
213.05367	0.1
219.06499	0.1
219.37166	0.1
227.03351	0.1
241.04848	0.5
259.06009	0.1
269.04315	0.5
287.05396	100.0
287.57553	0.1
288.05719	1.7
293.13712	0.4
311.14832	0.5
597.19458	2.3
615.33282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4812
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	2.5
54.42450	2.1
54.81450	2.1
55.05496	32.3
57.03413	10.0
57.07060	4.6
64.33330	1.9
67.05481	76.9
69.07034	25.6
76.55890	2.1
77.23363	2.6
79.05459	43.4
81.07025	85.6
83.08575	14.4
85.06510	2.7
91.05444	36.7
92.08724	4.7
93.07002	45.5
95.04917	5.2
95.08577	60.0
97.06511	2.4
97.10112	4.9
105.07005	39.5
107.08567	37.5
109.10117	26.0
114.10452	2.4
117.06976	10.3
119.08536	35.2
121.10107	22.6
123.11681	5.1
129.06952	4.8
131.08540	20.6
133.10052	20.3
135.11630	15.3
135.61310	2.5
143.08493	11.4
145.10094	29.0
147.11649	15.7
149.13229	4.6
157.10120	5.3
159.11641	16.3
161.13187	11.9
163.14749	2.5
169.10054	4.1
171.11597	4.2
173.13173	14.1
175.14821	3.5
178.43333	2.4
185.13184	3.6
187.14764	10.5
189.53612	2.1
201.16232	3.2
211.14981	3.0
239.66478	2.6
242.18904	2.0
261.21985	8.7
333.24088	4.5
335.25726	14.1
337.27292	4.4
352.15518	2.4
595.46906	14.3
613.48145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4809
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.00336	1.3
53.03931	1.8
55.05494	29.7
57.03416	14.7
57.07049	5.2
61.41420	1.3
65.03901	1.4
67.05480	81.7
69.07040	24.2
71.04940	1.5
78.50612	1.2
79.05462	40.2
81.06547	2.7
81.07027	81.8
83.08580	15.6
85.06487	1.9
91.05441	33.0
92.31003	1.3
93.07005	56.0
93.07585	2.3
95.04932	5.9
95.08572	68.2
97.06501	1.7
97.10152	3.1
105.06992	38.6
107.08562	34.5
109.10131	28.5
115.05489	1.6
117.06985	15.1
119.08538	36.4
121.10098	25.8
123.10901	1.4
123.11658	10.6
129.06950	5.0
131.08516	31.8
133.10085	25.9
135.11624	13.6
137.13205	3.1
141.35999	1.4
143.08537	8.2
145.10071	23.6
147.11652	21.7
149.13206	8.7
157.10132	9.1
159.11646	19.8
161.13231	7.0
163.14757	1.7
169.10165	1.8
171.11636	6.3
173.13197	15.7
175.14757	5.7
176.95396	1.4
179.59575	1.4
185.13193	6.0
187.14783	6.3
193.13341	1.3
197.13181	1.7
199.14749	2.9
201.16315	2.8
203.17902	1.3
211.14870	1.9
213.16342	2.4
231.21191	1.5
243.21118	1.3
251.80161	1.2
259.20554	8.2
261.22034	9.4
273.21912	1.5
275.23804	2.4
333.24033	2.7
335.25760	16.8
337.27264	7.6
361.27087	1.6
437.35123	1.6
521.43414	4.8
539.44824	2.0
543.40784	1.5
566.73309	1.3
595.47003	14.2
613.48090	100.0
614.48401	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	613.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
55.01857	5.0
55.05487	6.6
57.03388	0.8
61.02891	0.9
67.05474	11.5
69.03403	5.6
69.07042	14.3
71.04962	9.0
72.20293	0.7
73.03461	0.6
79.05454	15.7
81.03367	0.6
81.07018	39.5
81.07488	1.4
83.04941	17.5
83.08573	6.7
85.02875	5.8
85.06514	6.8
91.05424	10.4
93.07000	49.2
95.04926	17.5
95.08563	40.4
97.02858	1.3
97.06486	31.8
99.04410	25.4
99.05015	1.0
99.08054	0.9
101.05967	1.1
105.06987	34.1
105.07680	1.5
107.04910	5.6
107.08022	0.5
107.08550	29.3
109.06481	34.7
109.10113	4.9
111.04409	1.3
111.08031	24.5
113.05961	6.1
117.06969	1.4
119.04899	1.4
119.08522	18.1
121.06451	88.6
121.10077	5.2
123.04403	2.9
123.07999	7.4
123.11649	9.5
125.05940	18.7
127.03835	1.3
127.07494	13.5
129.06941	3.1
131.08502	6.6
133.06445	3.3
133.10065	19.3
135.04338	4.1
135.08000	13.5
137.05927	3.5
137.13173	1.4
139.07501	23.5
141.05420	3.5
142.07780	1.1
143.06984	10.6
143.08505	8.0
145.10023	6.0
147.08000	5.2
147.11632	52.6
148.11960	0.8
149.09587	2.7
149.13165	1.2
151.07484	1.6
151.11118	8.0
153.09050	1.4
155.07082	0.7
155.08472	1.3
155.44371	0.9
156.09267	2.7
157.06523	1.1
157.08562	11.0
157.10077	15.7
159.06465	14.1
161.05849	1.2
161.09657	1.0
161.13174	13.4
163.11150	0.8
163.14777	1.0
165.06923	0.8
165.12683	20.5
166.07713	3.2
169.12170	21.8
171.08009	0.9
171.11592	15.9
173.08109	0.9
173.09560	4.0
173.13255	1.4
175.11108	38.6
181.10060	6.4
184.08739	1.4
189.09071	1.1
189.12659	25.3
189.14268	1.3
191.10638	0.7
191.14221	0.8
193.12160	34.6
193.13953	1.2
199.11099	34.0
200.11583	0.7
207.13739	10.9
211.13214	23.5
217.12160	77.4
218.12611	0.9
225.14803	1.3
229.14273	10.4
235.10692	0.8
235.13191	65.7
253.14236	100.0
271.15286	26.5
289.16339	38.6
400.93216	0.7
429.59900	0.6
499.91922	0.7
518.06036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.3
55.05502	0.5
55.13950	0.5
55.89955	0.5
65.03936	0.6
67.05487	0.9
68.99789	2.1
69.03367	0.6
70.61976	0.5
71.04965	0.6
74.18489	0.5
79.05463	3.7
81.03396	0.9
81.07024	1.0
83.04963	0.7
85.02896	0.8
91.05450	1.0
92.09267	0.7
93.07018	1.2
95.04943	1.9
105.07010	0.8
107.04935	4.1
107.08576	2.1
111.04436	0.7
117.06956	0.5
119.08501	1.2
121.02843	3.5
121.10091	0.8
123.04388	2.5
131.04866	0.8
133.10071	0.7
135.04355	4.4
137.02312	14.3
137.03328	1.1
137.05905	0.9
138.03087	3.7
141.01799	1.0
145.02876	0.6
147.04408	1.1
153.05424	100.0
161.02274	3.9
163.03902	4.3
165.01767	10.0
167.03371	3.6
167.07042	3.8
169.02742	0.6
175.03882	1.3
177.01790	1.0
177.05479	0.7
179.03325	4.6
181.04933	0.8
183.02821	6.0
187.03763	0.9
191.03357	1.3
193.04938	1.2
195.02832	1.3
195.06491	4.3
200.66008	0.7
203.03334	4.8
207.02925	0.9
221.04401	2.3
229.04987	0.9
231.02861	1.1
245.04311	1.1
247.02104	0.6
249.03709	1.0
255.02682	0.6
281.08099	0.8
283.05905	5.5
286.04590	2.7
287.05396	6.2
289.03415	1.1
295.05847	5.4
297.07407	9.0
299.05414	72.9
300.06195	5.7
307.06143	0.8
309.07590	4.5
311.05405	21.6
311.09000	0.9
313.03485	0.9
313.06909	11.7
321.07504	2.2
323.05347	5.4
325.03485	2.6
325.06964	27.3
327.08633	3.1
329.06436	40.8
337.06952	41.4
341.06396	8.4
351.04935	2.0
353.06445	32.1
355.08020	2.4
365.06415	37.4
383.07465	49.6
401.08551	68.8
402.08823	1.0
419.09564	20.5
443.54929	0.7
451.10190	0.8
481.11166	0.6
505.10861	0.9
523.11310	0.8
547.12366	3.8
577.13269	0.8
587.47809	0.7
595.14276	1.3
613.21973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2268
Annotation	C11830
Peak:m/z	Relative Intensity
53.03913	0.4
55.01848	0.5
65.03914	2.2
67.05453	1.5
67.29013	0.2
69.03387	0.5
76.16633	0.2
78.04680	2.5
79.05442	1.6
81.03374	0.5
81.07006	0.6
82.04155	0.3
85.02867	1.8
88.78013	0.2
91.05454	4.2
93.03362	0.6
93.07004	0.4
94.04147	0.3
95.04911	1.6
96.58363	0.2
97.02814	0.3
97.06486	1.1
103.05418	2.0
105.06953	0.4
106.04163	2.0
107.04906	1.7
110.03620	1.1
111.04384	1.4
115.05424	5.5
117.06979	9.1
119.04905	3.7
119.08517	0.4
121.02811	1.9
121.06470	0.3
121.10044	0.3
122.03615	2.5
123.04383	8.2
124.05164	2.6
125.05915	1.2
127.03860	0.3
127.05390	1.3
130.04054	0.2
131.04849	1.3
132.05659	0.2
135.04373	0.5
137.05937	30.1
138.03030	0.4
141.02188	0.3
142.02580	1.1
143.04858	1.7
144.05702	0.4
145.06438	15.0
147.04370	3.4
147.07976	0.6
151.03868	3.7
151.07440	0.5
152.04648	2.4
153.05399	1.5
155.04820	0.4
155.05983	5.5
160.05150	0.4
161.05905	0.9
165.05371	0.5
167.06975	100.0
168.07271	0.3
171.06525	2.3
172.05098	0.3
173.05919	22.2
175.07462	1.1
177.05347	0.4
179.07011	0.5
181.04884	31.3
191.06886	0.5
201.05409	1.0
203.06934	1.2
205.08525	4.5
231.06400	0.5
233.08011	3.6
235.07585	0.3
235.09607	2.9
235.83934	0.2
250.06165	0.3
293.08246	0.3
299.08911	0.3
341.09985	0.3
354.54285	0.3
357.13174	2.8
385.12726	7.1
387.14261	9.3
408.29242	0.3
417.09680	0.4
417.15256	11.4
583.21600	1.4
613.22595	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	612.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55688	2.3
53.03913	3.4
55.01850	3.8
55.05495	38.8
57.03413	27.7
57.07038	3.2
67.05476	100.0
68.51572	2.5
69.03400	2.6
69.07039	25.7
74.50894	2.2
76.39198	2.4
79.05463	64.5
81.03380	85.8
81.07021	78.7
83.04941	6.6
83.08601	19.5
89.10793	2.9
91.05435	51.9
93.07005	66.9
94.07273	2.6
95.04943	35.4
95.08569	57.1
97.06483	4.8
97.10113	4.1
99.08074	2.6
105.06990	46.8
107.04904	5.0
107.08562	38.9
109.06478	3.8
109.10143	21.4
111.08010	3.9
117.06968	13.0
119.08535	36.2
119.46721	2.6
121.06506	2.7
121.10114	24.1
129.07001	19.1
131.08492	29.2
133.10077	24.5
135.11655	11.8
143.08493	4.0
145.10078	14.1
147.11653	23.4
149.13214	3.8
157.10078	16.2
159.11626	11.6
161.13208	5.4
171.11592	5.0
173.13155	5.7
175.11095	5.2
179.06873	2.9
185.13193	3.7
193.12115	12.5
213.41289	2.7
261.21997	10.8
267.15799	61.2
335.25681	56.2
453.33224	3.0
486.92740	2.7
527.37201	37.3
533.41235	2.8
545.38232	24.8
611.45996	5.8
612.46429	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	612.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70776	1.4
55.05505	1.4
56.96555	14.0
59.66684	1.5
60.15287	1.5
78.14842	1.5
78.85249	1.5
81.07033	3.6
91.05480	1.7
93.07014	6.6
95.08560	2.4
98.97551	37.2
105.06976	2.5
107.08562	6.1
109.10122	1.6
116.98584	43.9
119.08559	3.5
121.10134	3.1
133.10016	2.1
134.99594	27.9
141.39432	1.5
145.10170	2.9
153.00673	8.6
155.64464	1.9
156.52049	1.6
158.01292	1.6
191.06944	3.2
226.28508	1.5
298.99969	1.5
313.35181	1.7
416.35907	1.6
495.27866	2.0
511.30441	9.2
529.31647	7.3
545.34625	2.9
547.33118	16.6
565.33612	6.7
571.32672	19.5
589.33899	100.0
607.34430	10.3
612.35315	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	611.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	3.0
53.03923	4.3
55.01852	5.6
55.05497	35.8
56.93301	2.5
57.03417	10.6
57.07067	4.6
58.92238	2.6
63.13889	2.7
67.05159	4.0
67.05488	86.9
69.07042	28.1
79.05462	77.5
81.03374	2.8
81.07029	100.0
83.08585	16.1
91.04901	3.7
91.05452	81.7
93.07014	97.3
95.04922	6.6
95.08587	71.1
97.06468	4.1
97.10144	5.8
103.05451	3.0
104.93243	3.2
105.07008	81.7
107.08562	49.0
109.10150	20.6
117.06985	37.6
119.08546	62.4
120.93732	2.6
121.10099	36.2
123.08112	3.0
123.11667	4.4
129.06947	22.3
130.49583	2.6
131.08540	42.2
133.10088	46.4
135.11667	20.0
141.06961	2.7
143.08472	21.7
145.10051	32.5
147.11667	31.9
149.13246	12.8
155.08469	3.2
157.10112	24.2
159.11638	28.3
161.13203	16.8
169.10060	11.9
171.11659	25.4
173.13217	17.0
175.14798	5.0
181.10054	3.5
183.11687	5.0
185.13242	9.7
187.14653	9.0
199.14781	6.2
211.14729	3.2
241.19408	11.6
257.18948	4.0
257.82294	2.7
259.20544	24.9
261.22021	3.4
284.01273	2.9
315.22769	3.0
333.24133	18.1
335.25543	25.5
344.72571	2.7
352.13721	2.6
519.41602	3.4
533.00024	3.2
593.44641	11.9
611.37372	3.1
611.46667	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78872	0.5
52.83746	0.4
53.00288	1.2
53.03927	0.6
55.01851	0.6
55.05478	4.6
56.65886	0.5
57.07059	0.7
59.04977	3.5
61.02898	0.7
65.03915	0.5
67.05483	14.3
69.03391	3.7
69.07032	10.4
71.04961	34.3
71.71133	0.5
73.06525	2.9
79.05457	6.0
79.49769	0.5
81.03379	0.8
81.07020	25.5
83.04952	2.9
83.08586	3.3
83.73083	0.6
85.02872	13.2
85.06496	0.7
86.46632	0.5
87.08064	0.6
89.05988	2.2
89.15102	0.5
91.05436	7.8
93.07001	24.7
95.04929	21.1
95.08562	14.1
97.02849	4.1
97.06481	3.4
97.10127	1.2
99.04440	0.9
102.57567	0.6
104.12952	0.5
105.06993	20.3
107.08553	58.7
109.02845	1.2
109.06457	3.1
109.10110	35.2
110.96308	0.5
111.07323	1.1
111.08038	21.0
119.08530	22.6
121.06506	0.9
121.10093	13.8
123.08028	1.0
123.11644	2.7
125.09576	27.8
127.03885	2.7
127.11127	1.2
131.08531	9.0
133.10083	12.5
135.07994	1.2
135.11639	31.5
137.05940	1.1
137.09532	0.7
139.07396	0.7
143.08505	3.2
145.04941	0.8
145.10081	17.1
147.08011	4.2
147.11630	49.5
149.09593	0.9
149.13229	2.4
151.11189	0.8
153.12686	37.0
157.10089	5.6
159.11594	5.6
161.09555	3.1
161.13240	2.0
163.11140	2.2
165.12683	4.6
167.06978	13.7
167.08278	0.9
173.13257	3.0
175.11136	5.0
175.14728	4.6
179.10564	1.3
189.16316	21.0
191.17897	2.6
193.15823	2.9
199.14702	2.7
207.17342	4.2
210.63635	0.6
217.15788	22.3
235.16817	42.3
253.17876	100.0
263.87167	0.6
271.18933	2.2
379.20966	3.1
397.22156	6.8
415.23035	3.1
489.79282	0.6
590.16962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.07054	0.7
67.00056	0.6
67.05479	1.3
69.03402	0.8
69.07045	2.4
71.04974	1.0
79.05476	1.0
81.03388	1.3
81.07025	5.0
83.08582	1.2
85.02877	1.2
91.05437	0.7
93.07000	3.0
95.08544	4.6
95.55995	0.6
96.29348	0.6
105.06986	2.1
107.08563	3.1
109.02888	0.7
109.10115	1.2
111.08043	0.8
115.85825	0.6
119.08514	0.7
121.10090	2.5
123.11677	1.2
128.33655	0.5
131.55573	0.6
133.10081	0.6
137.05885	0.7
147.04395	0.9
149.13219	0.8
159.04094	1.0
163.03845	0.9
167.06992	2.3
184.07356	0.9
189.05147	38.0
202.05991	1.0
203.06723	11.1
204.07518	3.6
214.66907	0.6
216.07515	2.8
217.08272	12.9
219.33167	0.7
233.07698	1.2
291.26736	1.2
303.04919	1.1
309.27707	0.7
363.91940	0.7
369.12976	1.0
383.14584	1.2
399.14075	3.7
413.15524	7.5
414.16342	5.6
611.24408	100.0
612.24811	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	611.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78472	1.0
51.24392	1.2
52.01770	1.1
54.81305	1.2
75.28239	1.3
75.31016	1.3
75.72846	1.4
185.82974	1.3
251.49931	1.4
341.59445	1.4
407.22260	5.8
419.18420	2.5
433.19687	9.7
434.20612	1.9
437.23575	2.6
447.21545	2.2
449.19168	3.0
450.20407	2.9
451.20871	2.2
463.21198	2.5
464.21893	6.7
465.22775	7.3
521.25415	6.9
551.26343	36.7
592.73895	1.5
611.28381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86081	1.1
53.00276	1.2
53.03924	3.7
55.01851	2.6
55.05496	40.6
57.03421	14.8
57.07042	7.1
59.34223	1.1
64.27383	1.5
65.03897	2.0
67.05482	94.2
69.07039	27.8
71.04955	3.2
79.05464	83.1
79.97127	1.7
81.07027	85.3
83.04942	2.2
83.08589	13.8
85.06490	1.9
91.05444	78.5
91.06022	2.9
93.07011	100.0
95.04933	9.8
95.08572	62.0
97.06490	6.9
97.10130	3.1
98.96795	1.7
105.07000	80.2
107.08561	43.8
109.06487	1.7
109.10117	22.3
115.05427	2.3
115.09619	1.5
117.06985	29.2
119.08539	57.3
121.10115	28.1
123.11679	7.8
128.06227	5.3
129.06937	19.7
130.07802	2.7
131.08524	48.0
133.10083	39.6
135.11658	16.5
137.13200	1.6
141.06946	6.5
143.08498	21.9
145.10080	40.8
147.11655	31.6
149.13254	3.4
155.08539	5.6
157.10071	19.1
159.11627	22.5
161.13202	17.0
163.14784	1.9
169.09981	11.0
171.11618	20.5
173.13182	14.2
175.14784	7.2
181.10165	2.0
183.11610	12.2
185.13174	15.0
187.14752	8.2
195.11612	2.2
197.13220	5.8
199.14752	10.4
201.16376	2.1
209.13258	2.0
211.14755	3.3
213.16312	2.7
215.17793	1.6
221.13303	1.9
239.18013	1.8
241.19598	11.2
257.18906	2.3
259.20377	21.1
261.22040	3.0
299.20544	1.6
328.28494	1.5
333.24194	13.6
335.25735	28.0
389.40854	1.5
519.42102	2.9
593.45569	9.4
611.46533	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	611.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39590	1.2
55.01864	1.7
57.03405	3.4
60.49355	1.4
63.67361	1.3
69.03411	1.8
80.46983	1.4
81.03410	3.1
82.83813	1.4
85.02871	8.8
90.74132	1.4
95.74617	1.8
97.67666	1.5
109.02879	2.3
121.02863	2.2
135.04382	11.9
135.59514	1.4
137.02313	43.9
147.04352	1.8
151.17917	1.6
159.04399	2.0
161.02275	6.7
161.05989	2.4
163.03830	2.9
175.03790	2.0
177.01675	2.0
179.03302	6.3
180.35986	1.7
187.03810	2.7
189.01768	9.8
189.05511	2.1
191.03334	7.1
195.02837	15.3
201.05389	2.2
203.03342	26.5
207.02841	14.3
215.03352	3.3
217.04897	10.3
219.02866	3.6
221.04398	7.2
229.04900	6.4
233.04297	3.0
243.02809	2.1
245.04033	1.8
249.75302	1.5
255.02780	2.2
257.04373	7.8
271.06113	1.9
273.03796	1.9
283.05994	3.7
284.06812	5.2
285.03897	2.7
287.05316	7.3
295.05975	9.4
296.06769	1.7
297.07471	7.2
299.05386	25.7
300.06073	2.0
307.05972	2.1
309.07532	6.4
310.04663	19.1
311.05402	100.0
312.06223	11.2
313.07059	12.0
323.05411	62.0
323.08908	3.0
324.06079	17.8
325.06885	24.0
329.06372	10.9
335.05313	3.7
335.09119	2.1
336.06421	5.6
337.03152	3.2
337.06958	47.0
338.07687	17.3
339.08530	7.2
341.06442	98.3
349.07019	13.9
351.08505	23.1
352.05585	3.1
353.02374	2.6
353.06433	56.4
361.07190	3.4
362.07550	2.4
363.08481	15.4
365.02139	3.0
365.06433	62.2
367.08014	25.0
371.07504	6.9
377.06247	22.2
377.09958	3.2
379.07962	9.1
381.09698	13.0
383.07544	7.0
389.06421	7.6
390.07217	1.7
391.08008	13.4
395.07526	46.9
403.07834	2.7
405.09674	5.8
407.07535	34.2
413.08170	1.8
417.09192	2.6
419.07501	26.9
425.08539	31.2
431.07712	3.6
433.08832	2.6
437.08539	11.9
443.09720	26.3
455.09515	16.4
461.09521	9.5
473.10645	50.1
479.09534	9.8
491.11710	15.4
497.10526	28.6
503.10181	2.2
515.11688	26.3
521.10516	2.6
527.11847	22.3
538.55182	1.8
539.11847	14.4
545.12628	17.8
557.12952	20.9
575.13928	15.3
593.14697	22.8
611.15857	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	611.1593
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
55.01824	1.4
57.03407	3.0
61.02922	1.9
66.92973	1.8
73.02883	1.7
81.03362	2.2
85.02867	7.6
93.03388	1.8
107.01283	1.3
107.04926	2.4
109.02840	2.1
117.05498	1.4
131.04880	1.5
135.04369	11.1
137.02304	42.5
137.03342	1.5
138.29799	1.6
147.04382	1.5
161.02309	9.5
163.03891	2.0
165.01689	1.7
172.73166	1.3
175.03793	2.4
177.01779	5.5
179.03322	2.9
187.03819	2.2
189.01799	11.4
189.05394	1.8
191.03392	6.8
195.02864	11.1
201.05411	2.1
203.03282	20.2
204.04164	1.5
207.02797	11.6
215.03314	3.2
217.04861	7.1
219.02754	2.9
221.04367	8.4
227.03314	1.5
229.04829	9.0
231.02769	1.9
233.04388	2.3
236.82921	1.5
243.02594	2.4
245.04329	1.4
248.20731	1.2
255.02727	3.1
273.03806	1.6
281.04514	1.5
283.05957	2.6
284.06631	7.1
285.03931	2.2
287.05206	2.0
295.05957	8.0
296.06635	1.7
297.07254	4.0
299.05460	20.1
300.06183	1.9
309.07388	5.0
310.04688	18.9
311.05389	100.0
312.06134	5.5
313.06918	9.3
321.07370	2.1
323.05405	59.0
323.08789	2.9
324.06171	18.5
325.06952	16.3
329.06461	10.8
335.05304	5.1
337.06921	43.9
338.07654	13.8
339.04846	1.9
339.08533	6.0
341.06433	98.8
349.07068	13.9
351.08545	22.4
352.05615	3.0
353.06384	51.1
361.06799	2.1
363.08508	15.8
365.06400	56.3
367.07974	21.7
371.07535	9.8
373.07013	1.7
375.08481	1.6
377.06375	18.8
377.09961	2.5
379.07861	9.3
381.09521	8.6
383.07303	3.2
389.06155	6.0
391.08066	14.5
395.02811	2.2
395.07538	42.0
395.12250	1.7
401.06271	3.1
403.07809	2.3
405.09512	6.2
407.07513	30.8
409.09119	1.6
413.08478	2.2
417.09723	2.5
419.07434	25.3
421.08939	1.8
425.08575	33.0
431.07864	6.1
433.09094	2.9
437.08502	9.7
443.09677	33.5
449.08493	3.2
455.09665	10.1
461.10349	10.1
473.10590	57.1
479.09436	8.2
491.11624	17.8
497.10660	29.9
515.11652	29.8
521.10284	1.8
527.11578	23.1
539.11401	15.5
545.12793	17.9
557.12842	16.1
575.13770	24.2
593.14880	21.5
611.16394	9.8
619.58160	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1589
Annotation	Rutine
Peak:m/z	Relative Intensity
51.61379	0.1
53.03918	0.3
57.03413	2.3
59.04964	0.2
61.02881	0.4
62.28145	0.2
65.03918	0.2
68.99760	0.4
69.03407	1.8
71.04962	11.4
74.73289	0.2
75.04433	0.3
81.03374	1.0
83.04910	0.3
83.39945	0.2
85.02870	14.7
87.04423	0.3
92.08752	0.2
97.02843	1.6
99.04438	0.2
109.02843	0.4
111.00758	0.8
111.04376	0.4
121.02841	1.2
127.03839	0.4
129.05420	1.9
137.02295	3.1
145.04919	0.3
147.06511	0.6
149.02264	0.3
153.01772	4.4
161.05859	0.2
163.03864	0.4
165.01779	2.3
183.02826	1.0
201.05383	1.3
217.05089	0.2
219.06612	0.2
229.04863	4.6
234.83943	0.2
247.05922	0.4
257.04343	3.4
274.04605	0.8
285.03790	1.6
301.08902	0.2
303.04865	100.0
304.05173	0.8
448.65491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.2
55.25959	0.1
57.03155	0.1
57.03418	2.2
59.04987	0.1
59.33748	0.1
60.97714	0.1
61.02898	2.4
65.03915	0.1
68.99760	0.6
69.03387	0.2
71.01312	0.2
71.04963	11.2
73.02891	0.9
74.79276	0.1
75.04459	0.7
81.03375	0.2
83.04945	0.6
85.02872	14.2
87.04414	0.2
91.03928	0.9
93.03380	0.2
93.81421	0.1
95.04909	0.2
97.02856	1.2
99.04386	0.2
101.02331	0.1
105.54085	0.1
109.02846	0.5
111.00773	1.1
111.04397	0.5
115.03886	0.1
121.02829	1.0
123.04377	0.2
127.03851	0.4
129.05431	2.1
135.04378	0.1
137.01237	0.1
137.02293	3.9
145.04936	0.2
147.06493	0.5
149.02264	0.5
153.01772	4.1
161.05882	0.1
163.03867	0.6
163.11163	0.1
165.01797	2.1
166.02568	0.2
173.05910	0.2
183.02806	1.2
183.04263	0.2
187.03798	0.2
191.03326	0.1
195.02831	0.2
201.05435	1.7
207.02827	0.1
211.03886	0.2
213.05319	0.2
215.03412	0.1
219.02962	0.1
219.06438	0.4
228.04025	0.2
229.04878	5.1
247.05896	0.9
257.04321	3.6
274.04639	0.8
275.05475	0.3
285.03821	1.5
303.04874	100.0
304.05237	0.8
465.10086	0.2
467.68643	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	610.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33353	5.8
54.81524	7.8
55.01856	10.6
55.05483	35.3
57.03418	14.7
67.05484	100.0
69.07033	29.9
71.04941	6.8
79.05453	83.0
81.03374	15.0
81.07025	89.5
83.08572	9.8
86.35024	7.1
91.05403	59.1
93.07006	77.0
95.04925	15.2
95.08573	67.7
97.02860	9.6
97.06513	8.8
99.12643	7.8
105.06978	17.0
107.04917	9.5
107.08554	38.1
109.06489	8.9
109.10107	16.0
111.04433	29.0
117.06932	8.9
119.08540	13.3
121.06425	9.3
121.10098	18.4
125.05898	8.8
131.08533	17.1
133.10039	10.8
135.11612	30.7
141.03607	8.0
145.10078	39.3
163.11090	16.4
223.13304	15.3
241.14119	16.2
315.17868	32.6
335.25772	59.4
366.23624	7.8
377.43930	7.8
543.36658	39.4
575.39325	64.1
610.45544	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	610.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33353	5.8
54.81524	7.8
55.01856	10.6
55.05483	35.3
57.03418	14.7
67.05484	100.0
69.07033	29.9
71.04941	6.8
79.05453	83.0
81.03374	15.0
81.07025	89.5
83.08572	9.8
86.35024	7.1
91.05403	59.1
93.07006	77.0
95.04925	15.2
95.08573	67.7
97.02860	9.6
97.06513	8.8
99.12643	7.8
105.06978	17.0
107.04917	9.5
107.08554	38.1
109.06489	8.9
109.10107	16.0
111.04433	29.0
117.06932	8.9
119.08540	13.3
121.06425	9.3
121.10098	18.4
125.05898	8.8
131.08533	17.1
133.10039	10.8
135.11612	30.7
141.03607	8.0
145.10078	39.3
163.11090	16.4
223.13304	15.3
241.14119	16.2
315.17868	32.6
335.25772	59.4
366.23624	7.8
377.43930	7.8
543.36658	39.4
575.39325	64.1
610.45544	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	610.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83559	0.1
53.03924	0.3
55.01845	0.3
55.05495	1.4
57.07044	0.4
57.96500	0.1
61.43142	0.2
62.59559	0.1
62.78098	0.2
64.56264	0.1
65.03909	0.2
67.05482	1.7
69.03395	0.4
69.07039	2.0
71.04964	1.1
71.08591	0.2
79.05464	2.0
81.03370	0.4
81.06553	0.3
81.07028	7.2
83.04945	0.3
83.08592	1.3
85.02884	1.3
87.00787	0.6
89.03877	2.8
90.81938	0.2
91.05446	1.2
93.07010	3.7
95.04925	0.8
95.08578	4.8
97.02841	0.2
97.06497	0.4
97.10141	0.2
98.03802	0.2
99.07973	0.2
99.51595	0.2
105.01811	0.3
105.06994	2.7
107.04924	1.6
107.08568	3.7
109.02831	0.6
109.10127	3.1
111.04401	0.4
111.08031	0.4
111.11694	0.2
117.03339	4.3
117.07014	0.2
119.08554	3.5
121.10095	1.5
122.02680	0.2
123.11662	1.3
127.03851	0.3
127.11151	0.9
131.08510	0.2
133.10098	1.7
135.04375	13.8
135.11646	3.4
137.09612	0.2
137.13219	0.3
145.02811	12.7
145.03957	0.4
145.10068	0.2
147.04407	0.2
147.11630	1.8
149.13213	1.0
161.13205	0.7
163.03848	100.0
164.04222	0.7
165.12717	0.2
175.14755	0.2
177.05473	0.3
181.04893	0.7
203.17880	1.6
221.18874	2.3
221.82616	0.2
273.25668	0.4
287.14508	0.2
291.26822	1.0
303.05048	0.3
309.27823	0.8
327.28748	0.3
355.10184	3.8
600.01733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.7
53.03918	5.0
53.43395	0.7
53.45394	0.6
53.59363	0.7
55.01855	3.8
55.05491	20.6
57.03415	2.1
57.07056	14.8
59.37312	0.7
61.02892	4.4
67.05117	1.1
67.05479	32.1
69.03403	22.0
69.07039	44.0
71.04962	9.6
71.08598	8.7
71.45332	0.8
73.02876	3.7
79.05020	0.9
79.05460	25.1
81.03381	14.2
81.07021	93.5
83.04934	3.4
83.08584	21.5
85.02872	44.0
85.06493	1.8
85.10138	2.1
87.00787	19.0
91.03906	0.9
91.05430	18.9
93.07001	49.4
93.07587	1.8
95.04405	0.8
95.04906	6.2
95.08562	100.0
97.02850	12.9
97.06466	3.3
97.10122	12.6
99.04398	7.2
99.08070	2.0
105.01830	17.8
105.06991	30.2
107.04916	1.3
107.08559	44.9
109.02859	11.6
109.06474	4.2
109.10118	61.3
110.10400	0.9
111.04375	1.0
111.08060	4.1
111.09541	0.8
111.11003	0.9
111.11691	8.0
114.35844	0.8
117.03313	3.5
117.06955	1.3
119.08532	27.9
121.06377	0.9
121.10093	31.6
123.08006	3.6
123.11655	29.7
125.02433	0.9
125.09608	1.7
125.13224	1.5
127.03870	20.0
127.11128	4.0
131.08528	3.3
133.09085	1.4
133.10075	29.0
135.04361	7.2
135.11641	31.2
136.12030	0.9
137.09579	1.1
137.13225	12.6
139.11176	1.4
141.12711	1.5
145.02811	13.5
145.04886	5.5
145.10104	4.7
147.11633	23.9
149.13220	21.3
151.11116	1.8
151.14752	7.0
153.12704	1.3
155.10585	1.1
159.02846	3.7
159.11621	1.3
161.13184	14.8
163.03830	40.9
163.14760	12.8
164.04181	1.0
165.12672	4.5
165.16379	2.9
175.14754	7.1
177.05373	10.0
177.16328	5.9
179.08264	1.0
179.17844	1.6
187.14754	1.0
189.14777	0.8
189.16248	6.9
191.17946	4.0
201.16284	1.2
203.17880	10.9
205.19446	1.2
208.08961	0.9
217.19420	6.3
221.18889	3.5
231.04898	5.7
231.21085	1.2
231.69049	0.9
247.24110	1.6
249.06058	1.6
261.25702	1.5
263.27106	0.9
273.25613	29.0
279.26755	6.7
291.26733	39.6
291.29773	1.5
303.04971	1.7
309.27728	18.3
327.28802	5.4
345.29730	1.8
383.22055	1.1
387.70377	1.0
399.28680	1.9
471.34357	1.4
503.29504	1.9
610.48859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83559	0.1
53.03924	0.3
55.01845	0.3
55.05495	1.4
57.07044	0.4
57.96500	0.1
61.43142	0.2
62.59559	0.1
62.78098	0.2
64.56264	0.1
65.03909	0.2
67.05482	1.7
69.03395	0.4
69.07039	2.0
71.04964	1.1
71.08591	0.2
79.05464	2.0
81.03370	0.4
81.06553	0.3
81.07028	7.2
83.04945	0.3
83.08592	1.3
85.02884	1.3
87.00787	0.6
89.03877	2.8
90.81938	0.2
91.05446	1.2
93.07010	3.7
95.04925	0.8
95.08578	4.8
97.02841	0.2
97.06497	0.4
97.10141	0.2
98.03802	0.2
99.07973	0.2
99.51595	0.2
105.01811	0.3
105.06994	2.7
107.04924	1.6
107.08568	3.7
109.02831	0.6
109.10127	3.1
111.04401	0.4
111.08031	0.4
111.11694	0.2
117.03339	4.3
117.07014	0.2
119.08554	3.5
121.10095	1.5
122.02680	0.2
123.11662	1.3
127.03851	0.3
127.11151	0.9
131.08510	0.2
133.10098	1.7
135.04375	13.8
135.11646	3.4
137.09612	0.2
137.13219	0.3
145.02811	12.7
145.03957	0.4
145.10068	0.2
147.04407	0.2
147.11630	1.8
149.13213	1.0
161.13205	0.7
163.03848	100.0
164.04222	0.7
165.12717	0.2
175.14755	0.2
177.05473	0.3
181.04893	0.7
203.17880	1.6
221.18874	2.3
221.82616	0.2
273.25668	0.4
287.14508	0.2
291.26822	1.0
303.05048	0.3
309.27823	0.8
327.28748	0.3
355.10184	3.8
600.01733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.01842	4.0
55.05480	9.0
57.03400	1.7
60.01159	1.3
67.05474	7.4
69.03411	20.6
69.06739	1.6
69.07045	32.6
71.04943	8.5
73.06525	3.2
73.25747	1.4
79.05461	16.3
81.03382	13.7
81.07020	11.5
82.43628	1.4
83.04477	3.4
83.04948	71.8
85.02862	14.8
87.07887	1.5
91.05433	15.5
92.09270	2.0
93.07016	18.0
95.04948	15.0
95.08556	6.8
96.97578	1.6
97.02860	6.9
97.06482	68.2
99.04423	12.7
100.26177	1.6
101.05931	2.5
105.06992	49.2
105.84755	1.6
107.04911	3.9
107.08543	17.1
109.02818	8.2
109.06483	14.1
111.04411	2.2
113.05942	2.1
117.06978	11.7
119.04890	2.0
119.08511	11.6
120.96481	1.6
121.06450	44.2
125.05943	88.1
125.80963	1.5
127.03892	3.6
129.06989	2.8
130.07759	2.7
131.08504	22.8
133.06441	10.4
133.10075	4.0
135.08018	2.0
135.11661	3.0
137.05902	7.5
141.06970	2.7
143.06990	51.3
143.08470	6.5
144.09290	6.8
145.06436	11.8
145.10077	100.0
147.08005	2.8
149.05956	1.9
151.07506	9.6
154.07747	3.7
155.08482	3.2
157.10002	1.8
158.07230	11.3
159.04274	1.5
159.08020	11.5
159.11617	43.9
161.06116	1.7
161.09532	3.7
163.07495	2.6
163.11108	25.7
169.10048	12.5
171.07936	2.0
172.08821	7.1
173.09554	71.1
177.12689	11.1
179.08472	2.9
182.07162	2.0
187.11104	65.4
191.10608	17.2
197.09566	12.2
205.12152	42.9
209.11629	8.1
215.10587	56.0
233.11620	47.1
251.12639	25.9
269.13657	4.0
303.04794	8.6
377.15979	2.8
395.16885	3.3
413.17886	29.1
575.23279	2.1
624.13922	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.01841	2.2
55.05486	4.6
57.03408	6.5
57.57396	1.0
61.02893	1.5
65.03916	1.5
65.83420	0.9
67.05477	2.6
69.03403	14.5
69.07043	18.1
71.04960	16.4
73.02831	1.1
74.18921	1.0
79.05466	12.5
81.03371	10.8
81.07027	8.8
83.04475	2.0
83.04948	46.0
85.02870	23.0
85.06513	1.0
91.05456	10.6
92.72865	0.9
93.07005	15.5
95.04932	9.0
95.08533	1.5
97.02850	7.3
97.06489	37.3
99.04411	9.6
101.06027	1.4
105.06994	35.3
107.04916	6.7
107.08540	9.1
109.02808	4.7
109.06444	8.8
111.04381	1.6
117.06973	8.6
119.04890	1.9
119.08578	8.5
121.06461	26.6
121.10043	1.4
125.05936	51.1
127.03882	2.1
127.07528	1.2
128.06206	1.9
129.05418	1.2
129.06934	2.5
130.07719	2.4
131.08516	14.0
133.06436	6.4
133.10098	3.9
135.04362	1.2
135.07979	1.5
135.11649	1.7
137.02286	2.4
137.05896	4.8
143.06972	27.7
143.08455	4.7
144.09258	4.1
145.06432	5.7
145.10081	63.1
147.08005	2.0
147.11649	1.4
149.02246	1.3
149.09445	1.3
151.07466	6.5
153.01817	1.0
154.07668	1.7
155.08511	5.5
157.08467	1.2
157.10066	1.5
158.07231	7.1
159.07986	6.5
159.11638	25.2
163.07492	1.2
163.11084	17.4
169.10020	8.9
171.07977	1.0
171.11559	1.6
172.08759	4.3
173.09561	50.4
173.48755	1.0
174.60364	1.1
175.07465	1.7
177.12645	7.4
183.02919	1.1
185.09486	1.2
187.11111	41.0
189.12697	2.0
191.10605	14.3
197.09526	5.6
205.12202	29.7
209.11604	4.5
215.10580	35.4
229.04967	1.9
233.11650	33.6
251.12657	17.4
257.04428	1.3
269.13730	1.8
287.05270	6.1
303.04871	100.0
377.15384	3.9
395.16675	2.5
413.17816	22.5
575.22925	3.8
610.19336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01859	3.9
55.05488	5.2
57.03407	1.2
61.02893	1.0
63.09479	0.9
65.03874	0.9
67.05483	6.8
69.03405	14.7
69.07042	21.5
71.04980	6.9
73.06537	0.9
77.97939	1.0
79.05457	15.8
81.03387	8.5
81.07027	10.6
83.04948	56.6
85.02876	13.3
85.06521	4.2
91.05434	17.3
93.07013	20.0
95.04930	12.3
95.08599	7.4
97.02859	6.6
97.06491	48.4
99.04423	17.9
101.06038	1.3
103.05412	1.4
105.06288	1.9
105.06998	52.2
107.04915	8.2
107.08562	15.9
109.02843	4.6
109.06479	15.6
109.10098	1.5
111.04442	1.2
113.06030	1.3
115.47588	1.0
117.06985	12.4
119.04903	10.8
119.08556	11.6
121.06453	34.1
121.10088	1.8
123.07988	1.5
125.05943	68.9
127.03886	5.0
127.07526	1.8
128.06111	1.5
129.06955	3.7
130.07753	2.1
131.08525	24.3
133.06435	9.8
133.10052	10.0
135.08032	2.3
135.11632	4.3
137.05933	5.0
139.07497	6.9
143.06993	30.3
143.08517	6.0
144.09299	6.9
145.06433	9.8
145.10085	100.0
147.08008	4.6
147.11641	6.7
149.05919	2.3
151.07465	10.3
154.07733	2.3
155.08528	4.2
156.09309	1.5
157.08629	2.3
157.10068	1.6
158.07164	6.8
159.08005	9.4
159.11644	42.3
161.09570	3.7
161.13235	2.2
163.03819	1.7
163.07501	2.3
163.11127	25.7
169.10077	11.9
171.07980	1.5
171.11659	4.5
172.08794	4.6
173.09554	63.6
177.12701	15.6
179.08463	2.0
187.11116	70.1
189.12755	1.3
191.10570	22.2
197.09592	9.2
205.12192	52.1
209.11678	6.4
215.10617	53.6
223.13176	3.9
233.11649	44.6
233.15195	1.8
251.12704	35.0
269.13748	31.0
287.92609	1.0
303.04904	2.3
341.13293	1.2
359.14841	4.4
377.15799	7.7
395.16754	8.9
413.17886	34.0
475.27097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18330	2.3
55.05491	34.6
55.36790	2.9
57.03402	5.6
57.07051	2.9
65.71619	2.4
67.05484	36.3
67.05793	4.2
67.90308	2.4
69.07037	24.5
79.05434	33.9
81.07032	36.8
83.08581	15.3
91.05443	22.8
91.22786	2.9
93.06989	28.9
95.08565	39.9
97.10123	5.6
105.06969	21.2
107.08537	16.9
109.10113	16.3
115.05387	2.9
117.06984	13.9
117.24924	3.4
119.08550	25.0
121.10136	11.7
129.06923	21.0
131.08516	19.7
133.10077	20.4
141.06961	5.1
143.08510	30.9
145.10062	27.9
147.11668	3.6
155.08537	25.8
156.75635	2.8
157.10049	23.8
159.11673	13.7
161.13208	4.4
164.80391	3.8
167.08542	15.2
169.10040	26.8
171.11642	19.9
173.13254	3.7
181.10054	14.7
183.11664	33.7
185.13190	20.8
187.14658	3.4
189.12807	3.9
193.10051	5.0
195.11617	17.6
197.13182	19.0
199.14729	4.6
207.11697	11.8
209.13219	15.4
211.14743	16.7
213.16251	5.6
218.03209	3.2
223.14713	7.2
225.16296	6.3
227.17889	4.2
235.14864	6.8
237.16264	6.2
251.17973	4.0
492.54572	4.6
510.99588	3.6
517.40204	19.8
535.41254	7.2
591.43579	20.3
609.35449	6.3
609.44818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47322	0.8
53.00296	1.0
53.03918	1.1
53.21756	0.9
55.05499	21.9
56.01728	0.8
57.03413	4.2
57.07049	3.7
67.05151	1.8
67.05481	32.9
67.05817	1.9
68.88894	0.8
69.07039	17.3
71.04958	1.2
74.97044	0.9
79.05467	17.9
81.07027	34.9
81.16240	0.9
83.08591	9.4
85.06526	1.7
91.05444	18.9
92.62475	0.9
93.07005	21.8
95.04925	2.2
95.08572	27.0
95.76789	0.9
97.06472	1.8
97.10145	5.5
105.07005	22.3
107.08549	16.0
109.10139	10.3
112.80840	0.9
115.05415	2.1
117.06979	12.8
119.08536	18.5
121.06393	1.2
121.10092	8.2
123.08029	1.5
123.11661	2.1
124.47416	0.9
125.09599	1.8
128.06100	1.3
129.06955	15.8
130.07808	1.3
131.08511	22.0
133.10074	14.5
135.11684	6.0
141.06970	8.5
142.07771	5.9
143.08517	21.7
145.10066	19.0
147.11633	8.5
149.09631	1.3
153.07021	1.5
154.50673	0.9
155.08517	21.0
156.09366	1.8
157.10069	21.7
159.11629	16.3
161.13177	2.0
162.15059	1.2
165.06889	1.4
167.08524	8.9
168.09355	2.2
169.10062	25.2
170.10846	1.3
171.11626	17.7
173.13171	8.1
175.14790	1.8
179.08533	5.1
181.10040	16.0
182.10883	1.5
183.11633	24.7
185.13197	12.8
187.14819	4.5
193.10097	6.4
194.10907	1.6
195.11633	17.9
196.12485	1.4
197.13174	17.3
199.14809	7.9
201.16397	1.6
207.11685	4.0
208.12331	1.2
209.13188	12.8
211.14714	11.9
213.16422	4.0
219.11539	1.6
221.13254	4.9
223.14758	9.3
225.16222	7.8
227.17906	3.5
233.13228	1.4
235.14815	2.1
237.16302	7.3
239.17969	4.6
241.19853	1.3
249.16374	1.4
251.17960	4.6
263.18152	1.2
265.19498	2.0
297.22269	1.3
309.22086	1.4
321.21829	1.5
323.23727	1.2
335.18958	1.0
335.23767	1.3
337.25266	2.0
346.43002	1.3
349.25174	1.3
399.10760	1.1
409.03024	1.1
447.32089	1.6
499.39038	1.3
517.40118	14.6
535.41199	6.2
553.40570	1.3
555.41858	1.5
573.43506	1.3
591.43921	21.5
609.25757	5.5
609.44958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.1
53.03917	2.0
53.54570	0.8
55.01847	7.1
55.05279	1.1
55.05497	20.3
55.52955	0.8
56.96535	0.9
57.03408	1.9
57.06824	1.0
57.07056	17.5
59.04972	1.4
61.02918	1.4
61.61884	0.8
67.05481	18.4
69.03400	8.8
69.06678	2.0
69.07041	43.0
71.04955	6.3
71.08597	4.8
73.02879	1.1
75.21425	1.0
79.05077	1.2
79.05470	22.0
81.03372	6.4
81.07026	100.0
83.04942	4.0
83.08130	1.7
83.08589	28.0
85.02880	10.5
85.06017	1.2
85.06518	22.8
87.00776	6.5
91.05437	7.0
93.07006	39.1
95.04930	5.9
95.08569	72.1
97.02851	4.5
97.06480	11.8
97.10139	10.1
99.04407	1.7
99.08048	6.0
103.33876	1.0
105.01859	1.8
105.06992	17.7
107.08553	37.5
109.02834	1.9
109.06483	4.7
109.10120	38.2
111.08045	58.8
111.11667	5.3
117.06960	1.9
119.08549	16.0
121.06426	2.5
121.09279	1.7
121.10098	32.6
123.04437	1.6
123.08042	4.6
123.11655	25.8
124.11927	1.5
125.09650	3.4
127.03854	4.4
131.08487	5.9
133.10074	11.1
135.07954	1.1
135.11633	15.3
137.09570	4.5
137.13190	11.0
138.15042	1.0
139.11150	4.7
141.09067	1.7
141.12669	1.1
143.18417	1.0
145.10068	9.4
147.11664	8.6
148.07529	1.6
149.09560	2.1
149.13226	15.5
151.11118	5.5
151.14694	1.4
153.12656	1.3
158.40321	1.0
159.11620	8.5
161.13179	6.7
163.03862	5.8
163.11127	6.4
163.14816	7.5
165.12674	4.3
165.16365	1.6
167.14198	1.3
173.13200	1.2
175.14783	6.5
177.16307	4.6
187.14787	2.2
189.16269	4.6
189.55725	1.2
191.17853	1.8
201.16367	1.3
207.17294	2.0
209.18945	5.9
214.16920	1.0
215.17934	5.3
219.20981	2.5
221.18988	1.5
233.18857	1.4
237.21991	1.6
253.19197	1.2
254.00674	1.6
257.12723	1.8
271.24118	8.6
272.01813	1.6
277.25140	6.8
289.25134	41.6
295.26233	7.5
299.09024	2.2
301.09695	2.4
307.26208	65.2
308.26599	1.4
325.27258	48.3
343.28278	6.1
547.28229	1.3
562.13959	1.2
609.28223	1.7
614.20459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.80339	0.7
64.33303	0.7
92.08813	1.0
153.71703	0.7
162.14772	0.8
223.12250	1.2
324.77118	1.0
390.18262	1.2
391.19061	3.2
392.20004	1.6
404.20468	1.2
405.20621	3.6
406.21365	3.1
407.22314	3.7
415.19128	1.7
419.18185	1.6
420.22900	1.2
421.23749	5.5
429.20740	3.7
430.21622	1.5
444.22723	1.4
445.20319	1.1
447.17734	1.5
457.24060	1.6
459.21851	4.7
460.22562	1.6
461.18854	6.5
462.20416	4.3
463.21234	1.7
472.22293	1.7
475.20786	9.6
476.21732	6.2
477.22275	6.0
479.24063	1.2
485.23343	12.0
486.20337	4.1
489.22711	5.4
499.21100	1.9
503.24173	8.2
513.23138	1.0
515.24268	10.5
521.25250	3.8
531.23669	19.0
548.23761	1.3
549.24402	3.9
550.25366	5.7
559.23029	8.1
577.24207	1.3
591.25854	28.1
609.26776	100.0
610.26898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01868	4.2
55.05500	34.3
56.96556	2.5
57.03421	22.4
61.02892	2.3
61.99456	1.7
63.49992	1.6
65.03932	2.3
65.55656	1.8
67.05485	65.2
68.72426	1.8
69.03413	20.8
69.07054	19.7
71.01319	2.9
71.04970	10.3
79.05464	55.0
81.03383	100.0
81.07024	46.8
82.64822	1.8
83.04962	27.7
83.08584	18.9
84.02121	1.7
85.02874	22.4
85.06506	3.8
87.45098	2.0
91.05446	53.2
91.29317	1.6
93.07014	56.5
95.04939	30.1
95.08572	25.5
97.02862	18.0
97.06505	16.0
97.10145	12.8
99.04414	6.7
105.06995	30.0
107.04913	10.8
107.08553	40.0
109.02830	18.5
109.06480	4.2
109.10115	13.6
111.04430	11.0
111.08073	10.3
115.05434	3.0
117.06992	12.3
119.08546	25.3
121.06505	8.0
121.10142	14.7
123.08036	3.6
123.11642	2.6
125.09597	3.6
127.03903	11.2
129.06985	10.2
131.08517	14.4
133.06487	2.6
133.10069	16.5
135.11629	25.6
137.09552	2.1
141.06924	2.3
143.08556	3.6
145.10126	14.4
147.08012	4.5
147.11664	11.6
149.09583	2.5
153.12703	4.0
157.10094	12.7
159.11752	3.1
163.03883	3.3
163.11145	9.3
171.11588	2.7
175.11130	7.8
179.19881	2.1
181.12216	4.0
193.12163	16.9
211.13148	21.0
227.12714	4.0
255.15860	10.4
258.75238	2.1
263.73685	2.1
267.15869	4.5
283.15350	2.6
325.16278	2.9
421.25888	3.6
447.27267	17.1
448.90381	2.3
465.28256	9.5
591.30914	4.2
608.34631	2.7
609.32587	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	609.2695
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.46848	0.5
58.42757	0.5
59.12442	0.5
63.33566	0.5
128.80833	0.7
156.44443	0.7
163.54918	0.6
172.26132	0.6
224.12991	0.8
251.15277	0.7
375.16431	0.7
376.17990	0.7
389.18500	0.8
390.18311	1.4
391.18967	2.7
392.19916	3.6
403.19629	1.2
404.20453	1.0
405.20639	5.0
406.21423	2.8
407.22043	4.7
415.18997	2.5
418.21722	0.8
419.22781	0.7
421.18976	0.7
421.23700	5.7
429.20599	2.9
430.21454	1.1
433.19873	1.1
433.24634	0.9
444.23178	1.2
445.20117	1.1
447.18060	2.8
457.23883	2.1
459.21979	2.3
460.22662	2.6
461.18854	7.6
462.20340	3.4
463.20804	0.8
465.23849	0.7
472.22205	0.8
473.19305	0.9
474.20490	1.3
475.20837	10.8
476.21545	4.2
477.22345	6.8
478.24265	0.7
485.23444	6.8
486.20325	3.1
489.22882	5.7
499.20972	3.9
503.24326	12.3
505.21872	1.1
515.24335	8.1
517.22156	2.0
521.26239	4.6
531.23785	10.2
535.23108	1.0
549.24951	2.5
550.25439	6.1
559.23108	6.2
563.26208	1.0
577.24072	0.8
591.25836	11.7
609.26776	100.0
610.26910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2693
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
60.53395	0.2
67.05474	0.2
68.24053	0.3
69.07063	0.3
85.81691	0.3
91.68262	0.2
92.09431	0.5
95.08572	0.4
103.34603	0.3
119.08467	0.2
172.03839	0.3
197.10741	0.6
237.10239	0.5
298.56647	0.3
300.14944	0.3
312.15134	0.4
360.35684	0.3
361.14752	0.4
363.16022	0.4
375.15884	0.5
376.16733	0.5
377.17538	2.2
378.18512	1.1
379.19351	1.4
389.17383	0.5
390.18433	1.4
391.15234	0.3
391.19232	3.6
392.19867	2.2
393.20709	2.7
404.15717	0.6
404.20038	1.1
405.16418	5.2
405.20950	1.7
406.17770	1.5
407.22403	7.6
408.22784	0.3
418.17703	1.4
419.18179	8.0
419.23227	0.6
420.19186	3.8
420.23465	0.3
421.20056	3.7
431.18591	0.6
433.15863	2.8
433.21121	6.7
434.21112	6.3
435.21689	13.3
436.22830	0.3
446.21307	0.4
447.18042	5.0
448.18015	2.2
449.19098	2.2
461.18607	3.4
462.20279	9.5
463.21222	7.7
475.21243	3.8
476.22382	0.9
479.20862	1.3
489.22748	1.6
490.23184	0.4
493.22223	0.4
493.26184	0.3
494.23044	0.5
507.20282	1.3
508.24796	0.4
517.22430	0.5
521.25476	10.9
534.22308	0.5
535.22919	0.3
549.24786	35.0
577.24347	0.5
581.27490	1.8
609.26868	100.0
610.27307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41545	0.7
55.82199	0.6
56.54193	0.7
60.03761	0.7
112.62307	0.9
118.15627	0.8
145.55981	0.7
157.79033	0.9
336.15884	0.9
365.35898	0.8
389.17542	1.0
403.19333	4.6
404.19745	1.1
405.20752	1.5
406.84097	0.8
417.21118	5.9
418.21216	1.6
419.22266	1.8
431.18076	9.6
432.23532	1.2
433.23697	12.4
445.19604	10.8
446.20917	5.2
447.21625	3.9
459.21896	4.0
460.22302	15.1
461.23166	13.4
473.23251	3.4
481.11075	1.1
505.22025	1.3
539.70758	0.9
547.26813	49.4
548.27454	1.3
574.27106	1.1
575.26501	1.4
607.28943	100.0
608.29510	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	608.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01842	3.8
55.05494	4.6
56.03903	0.8
56.96559	0.8
57.03413	1.9
58.21861	0.8
61.02893	1.1
65.03915	1.0
67.05478	8.2
69.03394	10.2
69.07037	14.8
71.01322	1.1
71.04957	5.3
73.06544	1.0
78.98717	0.9
79.05451	17.1
81.03381	3.7
81.07019	15.9
83.04946	29.6
85.02869	7.0
85.06524	6.1
86.67316	0.7
86.95819	0.9
91.05452	15.0
93.07000	26.6
95.04921	10.2
95.08574	6.3
97.02850	2.1
97.06483	27.9
98.71341	0.9
99.04426	7.3
105.06995	43.9
107.04925	13.3
107.08550	21.7
109.06480	20.8
111.04398	1.4
111.08038	2.1
113.05943	1.1
117.06968	11.4
119.04897	31.6
119.08531	14.9
119.78597	0.9
121.06455	25.7
121.07316	0.9
121.10074	4.7
123.04433	0.9
123.08001	1.4
123.11698	0.9
125.05944	34.3
127.03855	1.2
127.07510	4.7
128.06178	1.9
129.06931	4.5
130.07762	6.2
131.04858	1.4
131.08511	17.2
133.06448	12.2
133.10094	11.4
135.04375	1.5
135.08011	3.9
135.11655	8.1
137.05916	6.3
139.07497	9.9
141.06909	2.0
142.07713	1.2
143.06975	16.3
143.08533	5.8
144.09335	3.7
145.06430	7.6
145.10077	88.9
147.04405	1.3
147.08055	2.0
147.11618	8.5
149.09546	1.0
151.07463	4.2
154.07722	3.9
155.06873	0.9
155.08516	1.9
156.09172	1.0
157.08546	7.0
157.09950	0.9
158.07236	5.4
159.08029	6.3
159.11635	40.4
161.09566	1.9
161.13214	1.4
163.03844	1.7
163.07521	1.9
163.11110	100.0
167.06967	1.9
169.10057	10.4
171.07910	1.3
171.11658	1.6
172.08807	4.0
173.05875	1.0
173.09547	40.1
175.07463	3.5
177.12679	6.3
179.08574	1.8
182.07188	1.6
187.11105	48.2
189.12683	3.5
191.10608	17.0
197.09554	8.8
205.12170	29.8
205.13971	1.6
209.11658	1.6
215.10593	50.3
215.12567	1.9
223.13208	4.3
233.11639	62.0
251.10068	1.2
251.12651	26.9
269.13739	31.5
365.15826	1.1
374.36978	1.0
393.15372	6.7
411.16342	15.7
414.04089	0.8
429.17401	3.6
447.54541	0.8
608.23279	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	607.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95674	0.3
55.05493	0.6
67.05477	2.5
69.07039	0.6
69.09242	0.5
79.05472	1.8
81.07037	2.4
91.05453	2.7
93.07014	1.9
95.04934	0.6
95.08566	1.0
105.06992	3.4
106.06564	0.5
107.08540	0.5
115.55180	0.4
117.07004	0.7
119.08530	0.9
129.06967	0.7
131.08578	0.8
133.10115	1.1
145.10164	0.5
159.11652	0.7
193.31694	0.5
221.10701	0.4
248.68605	0.5
275.19998	0.9
309.58994	0.5
338.16605	0.5
350.16241	0.6
373.60461	0.6
375.16150	1.0
387.15692	0.6
388.16724	2.4
389.17535	5.6
390.18436	1.7
391.19211	1.0
401.17578	1.8
402.14185	0.6
402.18735	1.1
403.14813	0.8
403.19397	7.0
404.20020	3.6
405.20627	3.6
415.19266	0.7
416.16107	2.2
416.20737	0.6
416.62585	0.6
417.16873	5.5
417.20810	5.1
418.17007	0.9
418.21655	1.9
419.22290	11.2
420.23160	0.6
430.17917	2.1
431.18234	12.7
432.18973	4.2
433.19833	5.1
445.20023	10.8
446.20911	10.9
447.21442	11.7
459.17770	2.8
459.22720	1.4
460.22522	0.7
461.19891	2.1
463.25128	0.8
473.19180	1.8
473.24319	0.7
474.20340	13.6
475.21045	15.3
477.22516	0.6
487.20868	3.5
490.23712	2.5
491.20847	2.8
501.22763	2.0
504.21912	0.6
505.22180	0.9
519.23956	19.5
547.23224	71.4
548.23438	0.7
579.26025	4.6
589.24475	0.9
607.25323	100.0
607.42914	2.7
608.25519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2896
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
51.41927	0.4
54.80807	0.5
59.63822	0.4
68.72945	0.4
92.08697	0.6
99.64872	0.5
145.60500	0.5
198.98143	0.5
328.90637	0.5
389.17529	0.8
402.18658	0.7
403.18890	3.4
404.19540	1.2
405.20337	1.9
416.20093	0.9
417.21252	4.2
418.21570	2.4
419.22198	3.3
430.17310	0.7
431.18008	10.0
432.18713	1.1
432.23538	1.1
433.24026	7.6
434.24304	1.0
445.19504	10.2
446.20206	3.6
447.21555	5.6
459.21460	6.4
460.22287	14.6
461.23135	12.8
462.23886	0.6
473.23392	3.8
474.23734	0.9
487.25214	1.6
491.24847	0.7
492.25314	1.0
505.22305	3.0
506.26541	0.7
519.23376	0.8
520.23871	0.7
532.24286	0.7
547.26868	37.9
548.27191	2.5
575.26044	1.0
579.29547	0.7
600.68756	0.6
606.28381	1.0
607.28888	100.0
608.29303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16837	0.5
63.88370	0.6
70.32987	0.5
92.09444	0.6
102.35183	0.7
117.29820	0.6
144.72868	0.6
179.06534	0.7
203.08385	0.7
218.73331	0.6
300.23264	0.6
389.17548	3.5
391.19037	0.8
403.14566	1.1
403.19138	5.3
404.19989	2.6
405.20566	4.2
416.15952	0.9
417.16150	6.7
417.21454	2.2
418.17389	1.4
419.22311	7.0
430.17734	1.0
431.18216	10.2
432.19171	2.4
433.19870	4.5
445.20102	7.6
446.20819	10.6
447.21545	11.1
452.33252	0.7
459.21954	2.1
461.19553	1.2
463.21371	1.0
473.23495	0.8
474.20502	4.8
475.20789	6.0
487.20999	1.4
491.20712	3.8
519.23895	24.3
547.23126	20.3
579.25848	8.6
607.25275	100.0
608.25189	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39570	1.1
81.07041	1.3
82.79057	1.1
87.04464	2.2
92.09369	2.4
121.06506	4.9
151.40266	1.2
163.07542	1.6
177.12680	13.2
178.13078	2.3
207.10078	1.6
216.89995	1.3
263.16467	2.4
415.19089	5.5
416.19720	1.6
429.20941	8.4
430.21341	2.8
443.22433	4.6
444.22940	7.0
445.23746	1.9
458.24988	1.5
459.20868	1.5
459.25946	1.8
472.22528	2.5
473.23364	2.6
474.23590	1.5
485.22931	2.8
487.24652	23.6
488.25031	1.6
499.23944	1.5
503.24487	1.4
545.25256	17.0
546.26190	2.0
605.27423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
54.36060	1.1
55.01865	9.4
55.05495	17.5
57.03418	7.4
57.07054	3.0
61.02911	2.8
62.81579	1.2
67.05116	1.9
67.05480	35.2
68.99745	1.4
69.03407	28.0
69.07051	16.2
71.01329	3.1
71.04950	11.3
73.02894	3.3
74.21873	1.3
77.00870	1.2
77.03925	1.3
79.05460	31.0
81.03387	41.7
81.07029	100.0
83.04942	10.4
83.08593	3.2
85.02888	20.5
85.06525	2.9
91.05440	27.1
93.06423	3.1
93.07006	71.5
95.04938	24.4
95.08569	91.0
97.02853	42.7
97.06486	13.9
97.10139	6.3
98.97542	2.1
99.04408	12.7
103.03897	1.9
105.07000	49.7
107.04926	17.1
107.08566	72.2
109.02858	9.6
109.06482	18.7
109.10136	45.8
111.04421	12.1
111.99349	1.4
113.02318	1.9
113.05985	8.4
113.09620	1.4
115.05414	1.9
117.06988	7.8
119.04897	29.2
119.08536	29.4
121.06464	14.0
121.10094	17.4
123.04414	15.8
123.08036	8.8
123.11662	79.2
123.12566	2.6
125.05968	4.8
125.09600	7.4
127.03869	5.4
127.07530	1.6
128.06142	2.1
129.06985	7.9
131.04875	1.9
131.08513	15.4
133.06461	10.0
133.10086	29.3
135.04376	9.8
135.07993	12.9
135.11647	27.6
137.05907	16.5
137.09579	9.0
139.03876	7.2
139.07530	2.2
139.11119	1.8
142.07655	1.8
143.08548	13.5
145.04939	2.2
145.06444	5.2
145.10086	19.2
147.04373	31.6
147.07976	9.9
147.11661	21.2
148.05156	1.9
149.05954	7.7
149.09604	12.7
149.13188	2.0
151.07520	6.1
151.11151	40.0
153.05388	2.6
153.12677	8.9
155.08578	1.7
157.06441	1.5
157.10075	7.9
159.04446	1.8
159.08020	6.1
159.11644	13.7
161.05965	9.8
161.09572	13.9
161.13205	5.1
163.07484	6.2
163.11124	32.3
165.06967	1.6
165.12737	7.0
167.07002	1.9
167.08623	1.5
169.12180	23.5
171.07997	5.9
171.11615	7.8
173.08116	2.3
173.09592	6.0
175.07472	2.8
175.11113	11.9
175.77075	1.3
177.12697	5.8
179.07068	9.9
179.10632	8.4
181.12202	16.4
183.11644	1.6
185.09601	3.0
185.13248	1.8
187.11153	7.5
189.09099	6.4
189.12698	7.5
191.10620	8.3
193.12201	5.2
195.11623	1.9
197.08017	6.2
199.11240	4.5
199.13155	2.0
203.10596	1.9
203.14246	1.9
205.12250	1.8
207.13676	1.9
211.11046	1.3
213.12733	8.5
215.09064	25.2
215.10789	1.8
217.12192	8.7
229.12183	8.8
231.13724	5.4
235.13223	7.1
241.08502	14.8
241.12199	5.5
247.13216	13.8
249.09013	1.7
249.14745	4.9
253.08510	1.9
259.13196	19.8
263.47418	1.3
265.08575	3.1
269.10266	1.4
277.14233	41.8
285.09814	5.6
295.15305	56.8
307.05582	1.4
313.16382	30.0
367.11746	1.5
391.18869	1.6
415.18945	1.9
517.21936	3.1
535.22888	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.03402	0.5
58.70348	0.4
61.02896	0.5
62.06063	0.7
62.82443	0.4
63.08779	0.4
67.05471	3.1
69.03393	2.4
69.07036	2.2
70.06563	0.7
70.44749	0.5
71.08602	9.8
72.08102	2.2
79.05448	1.9
81.07027	8.9
82.16799	0.4
83.08572	1.0
84.04414	0.5
84.08118	1.7
85.02892	3.7
85.06513	0.7
86.06044	11.5
87.04451	0.8
91.05437	2.2
93.06997	2.6
95.04904	0.6
95.08558	3.3
96.08085	5.7
97.02839	1.0
97.06501	0.9
98.05991	0.7
98.09644	7.2
99.04443	0.6
99.08058	5.1
100.18231	0.5
105.06988	2.7
107.08561	2.0
108.08075	2.3
109.06492	0.9
109.10142	1.1
110.09610	0.7
114.09104	0.8
116.10688	43.9
119.08518	2.6
121.10096	0.8
122.09624	3.0
123.07947	0.4
123.11666	1.1
124.07525	0.7
131.08553	0.5
133.10078	1.0
136.11186	0.7
140.10672	0.6
142.08574	0.9
142.12225	5.1
143.10631	4.5
145.10074	0.6
147.11678	3.1
149.13138	0.5
154.12332	0.6
154.15805	3.7
156.32391	0.4
157.10037	1.0
165.12671	0.8
166.15829	4.3
168.17377	1.1
168.85472	0.5
175.11133	0.9
178.15842	2.0
196.16902	10.9
212.16222	0.4
214.17949	100.0
215.18188	0.7
228.06097	0.5
236.16446	0.6
237.14903	0.5
255.15807	0.6
264.23065	0.5
266.20966	0.5
282.24210	2.9
284.22073	2.5
285.09753	0.5
308.22104	3.0
326.23016	3.9
344.24194	32.3
424.30457	1.8
442.31519	23.6
506.29196	3.8
566.03204	0.5
586.36102	0.8
604.36194	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	604.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01847	1.3
55.05500	7.6
56.05016	0.8
56.17328	0.6
56.96564	1.1
57.03419	1.8
61.02907	1.6
62.06062	1.0
67.05482	9.2
69.03406	6.6
69.07037	5.0
70.06560	2.8
71.04958	2.7
71.07346	0.7
71.08603	9.6
72.08131	4.0
73.02870	1.6
79.05469	8.1
81.03396	4.3
81.07031	20.9
83.04955	1.7
83.08592	4.2
84.08106	3.0
85.02885	9.2
85.06506	1.3
86.06040	31.5
87.04443	1.2
91.05444	7.2
92.09331	2.7
93.07011	5.9
95.04948	1.7
95.08578	6.3
96.08103	8.3
97.02839	3.4
97.06497	3.3
98.06026	3.1
98.09654	15.2
99.04412	1.7
99.08064	5.0
101.05251	0.8
105.06978	8.9
107.04930	1.3
107.08566	6.6
108.08092	5.7
109.02821	0.8
109.06487	1.8
109.10132	4.5
110.09652	0.8
113.05950	0.9
116.10693	95.5
117.07009	1.1
119.08581	6.2
121.06463	1.4
121.10072	4.6
122.09618	1.7
123.11671	4.3
124.07555	3.0
126.09140	1.6
127.03860	2.9
129.06941	1.5
131.08511	2.6
133.10106	6.7
135.11621	1.0
136.11172	1.3
138.09096	1.3
140.10660	0.9
142.08592	3.6
142.12248	1.6
143.10608	8.8
145.10089	3.9
147.11646	10.0
149.09637	0.9
151.11034	0.8
154.15866	3.2
157.10066	5.3
159.11656	1.5
163.11174	1.2
165.12715	3.6
166.15840	2.8
175.11134	4.6
177.12621	3.0
178.15891	0.9
196.16956	5.6
207.89572	0.8
214.17953	68.6
229.14050	1.1
229.83203	0.8
237.14781	1.3
248.20038	1.2
255.15775	1.4
264.23016	1.3
266.21100	4.7
280.22882	0.9
282.24127	8.4
284.22107	4.5
290.21317	0.9
308.22131	10.9
326.23120	12.5
344.24200	100.0
384.54453	0.9
414.98389	0.8
424.30490	7.1
442.31552	35.2
491.57520	0.8
506.29599	12.9
562.40887	0.8
604.36554	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	604.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.4
54.80727	0.9
54.98101	0.9
55.01852	2.0
58.52531	0.8
64.32519	0.7
65.03924	1.8
67.05474	1.2
68.83436	0.8
69.07033	1.4
70.56308	0.8
79.05442	4.5
81.03378	1.7
81.07006	5.5
84.08114	15.3
84.55842	0.9
85.02852	1.9
87.00784	1.1
87.04441	1.0
91.05444	11.9
93.03355	1.3
93.06998	2.2
94.04130	1.1
95.04940	6.0
95.08566	1.6
97.02846	1.6
103.05424	6.5
105.06989	4.2
106.04118	5.7
107.04948	8.2
107.08540	1.7
109.06453	1.4
111.04363	1.2
114.35493	1.0
115.05396	4.0
117.06975	2.2
119.04896	6.0
119.08527	1.6
121.06488	11.7
121.10077	1.7
122.03601	1.0
123.04383	1.8
124.05182	1.0
125.05958	1.7
127.03865	1.4
128.06152	2.2
129.06949	23.3
131.04901	9.9
131.08528	14.0
133.02792	1.5
133.06450	1.6
133.10107	1.2
134.03595	2.2
135.04350	1.5
137.05948	17.6
140.83981	0.9
141.06949	15.7
141.12926	1.1
143.04846	1.2
143.08539	1.3
144.05710	2.1
145.06439	5.0
147.04314	2.3
148.05112	4.7
149.05925	20.2
151.03862	7.0
151.07518	10.7
157.06448	16.1
158.07182	5.5
158.97534	1.1
159.08006	13.3
160.05132	2.0
161.05927	19.9
161.09535	6.2
163.03841	3.5
163.07539	8.5
165.05547	1.5
165.06891	1.8
167.06996	20.0
167.08368	1.6
169.06392	5.7
170.07195	3.6
172.05099	1.1
173.05849	1.5
174.06699	30.9
175.07494	13.8
177.05385	6.4
177.12720	1.9
177.71150	0.9
179.06918	1.7
180.07710	1.3
181.04871	1.5
181.06454	1.3
181.08473	4.5
186.06708	6.8
187.07486	2.2
188.08247	1.1
189.09033	51.8
191.06984	7.2
191.08521	1.4
191.10612	4.1
192.07787	3.3
195.07997	3.8
198.06686	1.1
201.09047	18.7
203.08498	1.2
206.07458	1.2
207.08215	1.7
207.10114	5.5
209.07948	8.6
211.07401	4.3
213.09048	1.3
219.08147	4.1
219.10086	100.0
221.09560	1.5
223.07541	1.8
225.08910	3.5
227.10652	1.1
231.08014	1.2
235.07527	1.9
236.08195	1.5
237.08978	2.2
239.06874	1.2
247.07469	3.7
251.06995	2.2
251.10623	3.9
252.07777	1.5
253.08447	5.6
255.06491	1.9
255.09712	1.0
264.07791	1.2
265.08408	3.5
267.10071	1.8
270.08694	2.1
279.09985	4.6
281.07974	1.4
283.09625	2.1
295.09186	1.1
296.10281	3.6
297.11053	6.7
309.11060	1.2
311.12909	1.0
320.68085	0.9
327.12311	1.5
329.13678	12.5
331.15515	1.5
337.14270	1.4
341.13605	2.1
345.13007	1.4
355.15179	5.0
367.15421	1.6
397.16306	3.6
509.21545	2.1
539.22253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02605	0.7
51.76463	0.6
53.03921	1.7
55.01851	1.6
55.05490	1.1
56.38576	0.6
65.03917	0.8
67.05500	2.6
69.03405	2.9
78.04739	0.8
78.77389	0.7
78.87080	0.7
79.05450	4.2
81.03338	0.9
81.07043	4.1
83.04942	1.0
84.08118	8.6
84.93566	0.8
85.02873	5.7
88.02666	0.8
88.31641	0.8
91.05441	10.9
93.03388	1.8
93.07006	3.3
95.04937	7.6
95.08570	3.3
97.02872	1.7
103.05447	8.1
105.07040	5.4
106.04154	5.0
107.04916	7.4
109.02898	0.8
115.05424	3.5
117.06980	1.6
119.04900	4.7
121.06440	10.3
122.03628	1.4
123.04413	6.1
125.05957	1.2
127.03868	1.3
128.06142	1.3
129.06966	23.8
131.04869	9.6
131.08514	15.1
132.05661	1.5
133.02800	1.2
133.06458	1.4
134.03635	3.1
135.04390	2.0
135.08029	1.3
137.05940	16.3
139.03876	0.9
141.06961	13.0
143.04909	1.3
143.08595	1.0
144.05638	1.9
145.02779	1.0
145.06487	3.4
146.07217	1.6
147.04364	3.3
147.07971	1.1
148.05157	4.2
149.05931	20.5
151.03862	5.5
151.07449	8.5
153.05421	5.0
153.09009	1.1
157.06459	14.2
158.07222	6.3
159.04340	1.6
159.08012	13.3
160.05132	4.0
161.05928	23.4
161.09552	7.8
162.06645	1.0
163.03885	3.3
163.07520	5.0
165.05579	0.8
165.06967	1.5
167.07002	17.1
167.08362	1.6
169.06351	6.4
170.07236	1.6
174.06691	29.9
174.08093	1.5
175.07484	11.9
176.04642	1.0
177.05450	5.8
177.09001	1.0
177.12717	1.0
179.06976	3.9
179.08408	1.2
180.07722	1.2
181.06339	0.9
181.08539	2.0
182.07147	1.4
186.06664	8.0
187.07513	3.4
188.08247	1.3
189.09038	45.4
191.06996	7.5
191.08562	2.7
191.10625	3.1
192.07721	3.1
193.10172	1.3
195.06450	1.3
195.08044	5.8
195.10025	0.8
197.09654	1.0
201.09036	15.4
203.08511	1.0
205.06430	1.3
207.10051	6.6
208.08751	1.0
209.06215	1.6
209.08002	10.1
211.07487	3.3
212.08243	0.9
213.09004	1.6
218.07239	1.2
219.08032	8.5
219.10074	100.0
221.05939	1.4
221.09511	1.7
223.07472	4.3
223.11234	1.0
225.09006	3.7
227.06995	1.4
227.10571	1.2
231.08142	2.0
235.07509	1.0
236.08192	1.6
237.05386	1.0
237.09132	1.8
237.19850	0.9
238.06160	1.0
239.06967	4.3
240.07744	1.7
247.07480	1.4
251.06900	1.4
251.10547	3.8
252.07668	1.5
253.08522	10.9
255.06454	1.8
255.10046	3.4
263.10513	0.9
264.07825	1.6
265.08475	4.7
266.09332	1.1
267.10095	1.1
269.07996	3.1
270.08856	3.9
273.11255	0.8
279.10007	4.6
281.11673	0.8
283.09344	1.5
284.42581	1.0
291.10284	0.9
295.09613	0.9
296.10175	1.9
297.11057	8.0
311.12686	1.4
313.10437	1.1
315.12088	1.4
327.12152	1.8
329.13730	17.1
331.15356	1.1
337.14139	1.5
341.13840	1.4
345.13336	1.2
355.15329	7.2
357.13412	1.0
367.15298	4.5
397.16171	1.8
427.17136	1.3
509.21646	1.3
521.21588	1.0
539.22089	0.9
604.32330	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	604.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30527	0.6
55.01860	0.8
55.05497	0.6
55.58023	0.6
59.04972	1.3
65.03921	10.3
67.05467	1.5
70.93956	0.6
81.07006	3.0
85.02872	0.9
87.04431	0.8
91.05446	4.9
93.03365	5.0
93.07003	0.7
95.04903	1.1
95.08559	1.1
105.06983	4.9
107.04906	1.6
110.03643	10.6
111.04407	14.9
119.04883	4.4
121.02853	7.7
121.06497	2.7
125.05945	15.5
129.06900	0.8
131.04865	0.9
133.02847	1.3
133.06444	3.4
137.05949	15.5
145.06476	1.4
147.04375	6.4
147.08087	0.7
149.02312	4.1
151.03883	1.1
151.07498	4.0
153.05431	23.6
157.09943	0.7
159.07957	0.8
161.05904	2.7
161.09586	1.3
163.07452	1.0
165.06932	1.0
165.09099	1.1
167.06990	6.2
175.07451	1.0
177.06934	1.0
179.07016	2.8
184.05197	0.9
193.20399	0.7
194.07236	0.8
195.07954	3.8
197.09561	3.0
206.07227	1.3
207.08060	1.3
209.05783	0.9
209.09645	1.1
210.06731	3.9
211.07480	1.4
221.06009	1.3
221.09508	1.8
222.06842	0.8
222.76981	0.9
223.07370	3.4
224.08218	1.2
225.09033	4.1
227.06944	4.2
227.10611	1.6
234.06729	1.4
235.07574	0.8
237.09071	4.1
238.06154	3.2
238.09814	3.8
239.06953	3.7
239.10567	1.3
240.07713	9.9
241.08563	0.9
244.62125	0.9
249.05469	0.8
249.08972	4.0
250.09831	1.6
251.06921	3.1
251.10635	1.2
252.07629	4.4
253.08501	19.2
253.12250	7.6
254.09207	1.6
255.06332	1.4
255.09930	5.7
257.07971	1.0
263.10403	1.0
265.08536	3.0
266.09320	4.6
267.06470	1.1
267.10001	5.9
268.07278	3.5
269.07956	3.9
270.08878	1.1
270.12506	0.8
271.13150	1.2
272.10577	0.9
277.08511	1.0
278.09036	0.8
281.07947	5.2
281.11560	6.4
282.08801	1.5
283.06570	1.2
283.09518	9.7
284.10303	3.2
285.11044	3.7
285.14670	1.4
295.09506	4.9
297.11163	1.2
298.08478	0.9
298.11865	3.9
299.12729	8.0
300.09946	1.0
309.11096	7.7
310.11700	2.5
311.12845	0.8
313.10535	16.1
313.14230	6.6
327.08298	1.2
327.12183	36.1
328.12912	3.6
331.15298	5.2
341.09915	0.9
341.13580	7.1
359.14767	100.0
371.14841	6.4
389.15640	1.7
593.65137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42390	0.5
54.81002	0.6
55.01855	0.6
60.11813	0.6
65.03918	7.8
67.05488	3.4
69.07083	0.8
75.43930	0.6
75.67924	0.6
77.50119	0.6
79.05449	1.2
81.07037	2.8
82.04174	0.6
85.02883	1.0
91.05437	5.5
93.03370	3.8
93.07000	1.0
95.04910	1.2
95.08602	0.7
99.30437	0.6
100.11274	0.6
105.07010	1.6
107.04922	3.2
107.08558	0.9
110.03630	8.7
111.04405	14.4
119.04876	6.0
121.02808	7.2
121.06493	2.5
123.04398	1.4
125.05939	16.5
131.04886	1.2
133.02795	3.2
133.06467	0.8
135.08008	1.2
137.05913	5.1
147.04364	4.5
147.11641	0.7
149.02292	3.2
149.05940	0.7
151.07498	3.2
151.08833	0.6
153.05417	24.3
153.06664	1.4
157.06355	0.9
159.08029	1.1
161.05923	1.4
161.09602	0.9
162.06624	0.8
165.06892	1.2
167.06982	5.3
167.08308	0.8
179.06963	1.3
183.07834	0.9
184.14600	0.7
189.09073	1.1
193.06308	0.8
193.08418	1.0
195.08072	1.4
197.09665	1.0
199.11276	0.6
206.07227	1.5
207.08037	1.2
210.06689	3.0
211.07513	1.6
211.09523	1.2
221.05885	1.5
221.09584	3.0
222.06688	0.9
222.10321	1.5
223.07460	4.3
223.11159	1.0
224.08311	2.6
225.09071	5.4
227.06902	2.6
227.10567	1.0
234.06627	1.4
235.07425	2.7
236.08369	0.7
237.09039	3.2
238.06171	4.1
238.09860	4.4
239.06912	3.2
239.10643	1.3
240.07768	10.5
241.08339	1.3
249.05324	1.2
249.08934	3.0
249.11218	1.2
251.06874	2.9
252.07759	3.2
253.08490	22.6
253.12138	7.8
254.09225	2.7
255.06454	1.4
255.10144	6.6
257.08142	1.6
265.08521	1.7
266.09283	3.3
267.06421	1.0
267.10010	4.8
268.07199	2.8
269.08060	4.0
270.08765	5.1
271.13297	1.5
277.08578	1.0
279.06311	0.8
279.10046	0.8
281.07986	3.8
281.11642	7.8
282.08820	1.4
283.06241	1.3
283.09454	10.4
284.10492	4.7
284.13287	0.8
285.11066	4.8
285.14722	3.1
295.09525	3.3
296.10324	1.0
297.11029	2.6
298.11844	3.4
299.12585	7.5
309.11044	8.5
310.11850	4.1
313.10587	15.8
313.14288	5.3
317.92694	0.8
327.12131	28.1
328.12799	1.6
331.15363	5.5
339.11935	0.9
341.13766	4.4
359.14743	100.0
360.15051	1.2
361.16589	1.0
371.15088	4.6
389.15842	2.3
408.63739	0.6
463.05408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	12.0
57.03411	3.4
57.11198	2.0
67.05482	21.2
69.07047	19.2
73.02883	17.3
79.05453	19.6
81.07024	49.7
83.08601	4.1
85.02879	2.6
91.05437	9.4
93.07012	37.6
95.08568	58.2
97.10122	4.1
105.06973	23.4
107.08554	45.8
109.06456	3.5
109.10117	38.1
110.97667	2.4
117.06948	3.6
119.08536	100.0
119.09398	3.4
121.10104	41.5
123.04383	3.8
123.11662	30.1
131.08516	13.4
133.10078	31.7
135.11632	26.2
137.13235	5.8
139.11179	5.6
143.08488	4.0
145.10078	43.4
147.04349	2.6
147.11592	21.3
149.13185	23.5
156.09367	3.3
157.10059	9.8
159.11635	26.4
161.13225	16.4
163.07492	12.5
163.14726	6.0
169.10103	5.5
171.11635	13.9
173.13254	22.0
175.14758	6.1
177.09045	3.0
177.16302	13.6
178.08276	2.7
183.11630	5.5
185.13217	8.2
187.14716	17.6
189.16327	15.0
191.18011	3.5
197.13065	3.6
199.14716	2.6
201.16333	15.3
203.17896	5.2
209.13051	3.7
211.14728	5.6
213.16258	30.9
215.17899	4.4
225.16222	2.9
229.15942	9.0
257.15286	6.1
259.16855	16.0
313.21313	3.1
329.67017	2.9
349.42798	2.6
353.24451	4.6
373.86734	2.8
389.31500	4.6
395.29358	5.7
407.32913	10.8
423.32343	31.1
435.32422	44.0
441.33667	6.1
453.33353	21.5
454.15527	2.7
471.34940	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	604.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85360	0.3
53.03926	2.4
53.30576	0.3
54.93597	0.3
55.01848	0.8
55.05497	4.1
56.41582	0.3
56.96548	1.4
57.03414	3.3
61.02901	0.5
67.05477	1.4
69.03402	11.2
69.07056	0.3
71.04964	0.6
73.02890	0.6
75.04445	4.5
77.76918	0.4
79.05459	21.3
81.02896	0.4
81.03381	12.3
81.07014	5.4
83.04956	0.7
85.02876	5.5
87.04439	0.7
88.33594	0.3
91.05446	14.1
92.08729	0.9
93.07005	100.0
94.07286	0.4
95.04929	6.6
95.08553	3.4
97.02859	6.6
97.06496	0.5
97.72814	0.3
99.04424	2.2
103.05382	0.4
105.04472	0.7
105.06998	10.9
106.28983	0.3
107.04924	2.0
107.08555	13.8
109.02824	4.6
109.06493	1.3
111.04382	0.6
111.08056	5.1
116.06205	0.3
116.10721	0.4
117.06998	1.5
119.04899	4.6
119.08535	9.4
121.06460	2.6
121.10096	74.9
123.08012	2.4
123.11675	0.5
125.05954	1.2
127.03886	3.1
129.06923	0.7
130.07698	0.4
131.04852	0.4
131.08517	6.3
133.06413	0.5
133.07536	0.6
133.10062	0.8
139.11166	2.9
143.08507	0.3
145.04926	1.3
145.10101	0.6
147.04359	5.1
149.09570	15.9
159.08037	0.7
161.04793	0.4
161.09462	0.5
167.10609	14.3
173.04793	0.5
173.80736	0.4
175.11049	0.5
185.92914	0.4
241.08484	2.2
241.10797	0.6
253.08479	0.5
265.08401	1.1
275.12375	0.5
277.08514	0.4
283.09631	0.6
283.15378	0.4
291.86777	0.3
293.13782	7.0
311.14789	11.8
328.52859	0.5
329.15805	0.7
343.16330	0.4
344.24234	0.5
348.15930	0.3
381.22812	0.4
382.22531	0.4
389.17142	0.7
420.49332	0.4
497.19049	0.5
515.20239	1.3
533.21436	0.4
543.28308	3.3
544.28564	4.2
551.22363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
56.43281	0.1
59.39134	0.1
69.07019	0.1
69.94554	0.1
78.04676	1.3
79.03725	0.1
79.05468	1.2
80.81865	0.1
81.03345	0.1
81.07008	0.5
85.02884	0.2
91.05457	0.8
93.06999	0.6
95.04929	0.5
95.08575	0.1
98.97541	0.1
103.05430	0.5
105.03335	0.2
105.04465	0.1
105.07002	1.3
106.04151	0.9
107.04935	1.3
107.08597	0.1
109.02834	0.1
109.98752	0.1
109.99717	0.1
115.05410	0.2
121.06473	0.7
122.03632	0.1
123.04385	4.7
124.05168	1.9
133.06464	1.1
134.03574	0.5
135.04294	0.2
137.05948	0.5
143.06113	0.1
144.12303	0.1
147.11560	0.1
149.06006	0.7
151.03891	0.8
151.07446	0.1
152.04633	1.9
153.01880	0.1
161.05962	0.8
163.03932	0.2
163.07463	0.1
165.09087	0.2
166.06277	0.1
167.06978	100.0
168.04153	0.1
168.07339	0.8
179.06932	0.1
181.08466	0.7
193.08527	3.3
193.10184	0.2
195.10104	0.6
207.03484	0.1
211.09575	3.4
345.20987	0.2
363.21924	0.5
543.28247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2246
Annotation	Genkwadaphnin
Peak:m/z	Relative Intensity
59.05001	0.5
67.61189	0.6
69.03403	1.2
71.04970	0.8
81.07024	2.5
85.02892	0.9
91.05447	1.1
91.32648	0.6
93.06995	1.2
95.08580	1.2
98.97529	1.1
103.05458	0.8
105.06957	1.2
107.04918	0.7
107.08566	3.0
109.02808	0.6
109.10081	1.0
111.33141	0.6
123.07964	0.7
133.06450	0.7
133.10104	0.9
135.08031	1.0
137.05972	0.8
161.05908	3.5
161.09535	0.9
164.37527	0.6
166.64363	0.6
167.07021	1.4
177.00633	1.2
177.05432	1.0
185.04124	1.3
188.82532	0.6
189.09048	1.4
193.08589	1.2
200.70387	0.7
203.05257	1.2
207.10118	1.0
210.28186	0.7
237.02847	0.8
245.06160	1.1
261.06113	0.7
263.13336	0.7
267.12335	0.9
277.64127	0.6
287.07376	5.0
309.20514	2.5
337.16055	0.9
347.09402	3.4
355.17133	9.9
365.10321	8.0
383.16418	4.8
386.32651	0.8
389.10510	3.3
407.11462	14.4
419.09467	0.8
433.09222	0.8
451.10284	1.4
499.21527	1.3
517.14850	1.0
517.22290	18.0
559.23444	32.6
602.28015	0.9
603.22308	100.0
604.22919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80248	0.7
54.68888	0.7
56.12090	0.7
69.03407	1.6
73.87210	0.8
78.04681	1.0
79.05466	1.4
81.07036	1.4
85.02882	3.0
91.05466	1.7
93.06999	1.4
97.02836	0.9
105.06976	1.4
106.04151	0.8
107.04942	3.8
107.08588	1.3
123.04403	3.8
124.05196	0.9
129.57764	0.8
133.06454	1.5
135.11629	1.0
141.05103	0.8
149.05945	1.4
151.03899	1.0
161.05928	6.3
163.07542	1.8
165.05362	0.8
167.06976	100.0
168.07315	24.6
168.08640	1.2
169.07532	1.6
180.07550	0.8
181.08556	0.8
185.04214	1.4
189.09079	1.2
193.08603	3.3
193.11929	1.4
207.10175	3.6
211.09633	9.7
212.10011	1.8
245.06258	5.6
337.16183	1.8
347.09406	1.5
355.16483	1.3
356.52728	0.8
361.16418	1.4
365.10614	3.9
389.10660	2.8
395.63205	0.8
397.18329	1.6
407.11432	9.1
442.85907	1.1
517.22571	13.7
543.21014	1.1
559.23425	56.8
603.22198	72.4
620.92456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90314	2.1
68.89384	2.3
89.05991	3.3
100.97903	2.3
105.27129	2.6
141.54900	2.3
253.98566	2.7
282.88092	3.1
317.71078	2.5
345.23859	100.0
475.24945	2.7
601.46332	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	602.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30460	0.0
53.03913	0.1
55.01844	0.1
61.02898	0.2
61.98857	0.1
69.03398	0.4
69.07054	0.1
73.02898	0.1
75.98604	0.1
78.04688	0.6
79.05464	0.7
81.03374	0.1
81.07009	0.1
82.25999	0.1
85.02871	1.2
91.05436	0.5
93.06991	0.3
95.04913	0.2
96.05721	0.1
97.02856	0.5
103.05439	0.3
105.06992	1.0
106.04136	0.6
107.04920	1.8
109.02831	0.2
109.06461	0.1
111.08049	0.1
115.05413	0.2
121.06445	0.7
122.03584	0.1
123.04379	2.4
124.05172	1.1
125.05975	0.1
127.03870	0.1
127.22583	0.1
129.06906	0.1
131.04903	0.1
133.06448	0.9
134.03552	0.2
135.04388	0.1
137.05940	0.3
143.05894	0.1
145.04881	0.1
149.05925	0.8
151.03827	0.5
152.04657	1.1
153.12720	0.1
161.05940	1.1
161.09549	0.1
162.06407	0.1
163.07451	0.6
165.05449	0.1
166.06160	0.1
167.06975	100.0
168.07298	1.7
169.07515	0.3
179.06953	0.4
180.07628	0.1
181.08524	0.9
189.08929	0.2
191.06979	0.1
193.06757	0.1
193.08533	3.4
194.08850	0.1
195.10086	0.1
207.10065	0.3
211.09579	9.2
212.09998	0.1
213.11237	0.4
262.32626	0.1
361.16422	0.3
388.35080	0.1
480.65955	0.1
509.60391	0.1
559.23505	0.2
603.21893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	9.4
54.30288	2.2
55.05491	27.5
57.07053	11.7
59.04981	2.8
65.03916	3.5
67.05479	37.0
69.03409	16.9
69.07045	30.2
71.04959	2.9
79.05463	49.2
81.07024	54.0
81.11577	2.1
83.04965	21.8
83.08598	17.1
85.06506	4.4
87.46837	2.4
91.04901	3.6
91.05447	82.0
93.07007	93.4
94.06020	2.5
95.04924	34.2
95.08569	40.2
97.06489	11.0
103.05429	3.6
105.06999	99.7
107.08566	71.1
109.06489	18.9
109.10121	29.8
111.08061	3.0
115.05410	4.3
117.06972	37.0
119.08536	100.0
120.08823	2.6
121.06457	16.3
121.10102	75.7
121.20631	2.4
123.07993	22.8
125.09587	4.8
128.06174	18.5
129.06973	27.0
130.07721	11.0
131.08516	54.3
132.09293	4.5
133.06454	10.3
133.10078	56.4
133.90782	2.4
135.07996	23.0
135.11649	12.6
137.09537	11.8
140.79303	2.6
141.06924	10.7
142.01822	2.5
142.07732	28.5
143.08527	61.1
144.09277	13.6
145.10077	78.7
147.07961	19.5
147.11662	22.7
149.09604	17.5
151.07491	6.0
153.06889	3.2
154.07780	3.1
155.08501	21.5
156.09267	24.6
156.25706	2.2
157.10085	60.8
158.10823	6.1
159.08043	22.4
159.11620	42.5
160.08604	3.4
161.09549	13.2
161.13136	5.0
162.13388	2.8
163.11206	4.7
165.06972	5.7
165.09044	25.2
167.08517	14.6
167.10580	29.7
168.09277	10.1
169.10069	39.4
170.10747	11.0
171.11613	42.5
172.12326	4.0
173.09564	10.9
173.13187	19.9
174.10098	2.3
175.11131	16.4
175.14665	2.8
177.12750	3.3
179.08499	19.8
180.09265	4.0
181.10071	20.9
181.12152	10.9
182.10811	12.5
183.11603	24.6
184.12418	3.4
185.09547	5.0
185.13191	20.6
187.11162	4.9
187.14799	3.7
189.12753	3.2
191.14244	5.2
192.09230	2.8
193.10069	17.2
193.11914	2.5
194.10843	11.6
195.11598	25.4
196.12393	10.1
196.93993	2.2
197.13229	26.3
199.11179	3.4
199.14792	9.4
201.12529	3.4
201.16347	2.3
203.14201	11.7
205.10098	3.3
206.10875	6.0
207.11613	19.9
207.13634	5.0
208.12343	11.7
208.14243	2.4
209.13171	24.4
210.13974	4.2
211.11163	4.0
211.14688	9.5
219.11609	6.0
221.13165	15.9
221.15323	39.2
223.14757	15.0
225.16203	5.2
227.14214	4.9
232.12274	3.0
233.13211	7.0
233.15289	24.5
234.13902	3.3
235.14743	9.8
237.16376	3.7
246.13832	3.3
249.16197	3.2
251.17833	2.8
255.17372	3.0
260.15604	2.4
261.16260	5.8
265.19260	3.6
269.65121	2.8
271.16769	3.0
275.17715	3.3
287.19940	3.4
290.20154	2.8
295.20490	3.9
331.24048	3.3
352.23724	4.6
353.24191	4.7
367.26297	4.6
503.34671	3.8
521.36047	7.7
530.28064	2.8
565.39954	9.8
583.40924	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	601.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01846	4.0
55.05479	3.8
57.03411	1.1
57.07036	1.8
67.01846	10.0
67.05481	11.5
68.00623	0.7
68.99762	5.7
69.03414	7.7
69.07042	6.1
71.04983	1.5
72.83530	0.6
79.01814	0.8
79.05462	8.7
81.03386	10.5
81.07023	34.6
83.04950	1.5
83.08543	0.9
85.02866	7.3
91.05444	8.9
93.03382	1.3
93.07012	17.2
95.04922	6.3
95.08564	20.8
97.02855	9.4
97.06490	4.8
99.04404	1.6
103.05381	0.9
105.03347	0.9
105.06978	8.9
107.04158	0.6
107.04909	3.8
107.08569	13.3
109.02837	3.9
109.06484	3.9
109.10103	8.4
111.00773	1.5
111.04410	4.8
111.11689	0.9
112.39119	0.7
113.02319	0.8
117.03348	2.7
117.06998	1.0
119.04889	1.8
119.08522	4.9
121.02761	0.8
121.06448	4.3
121.10104	5.7
123.04385	11.9
123.08083	0.9
123.10810	1.0
123.11671	21.0
125.02310	1.1
126.38880	0.8
127.03872	1.8
129.01811	1.4
129.06999	0.9
131.04874	0.9
131.08501	3.7
133.06447	1.6
133.10072	6.1
135.04378	9.2
135.08000	1.2
135.11670	1.6
136.41339	0.9
137.02299	4.6
137.05920	10.7
139.03833	1.3
140.07074	0.7
141.01785	7.9
141.06953	0.8
142.07785	0.9
143.08516	1.8
145.02783	6.0
145.10052	1.7
147.04362	0.8
147.08025	1.5
147.11630	1.5
149.05922	1.8
149.09579	2.9
151.03844	1.8
151.11154	7.0
153.01778	100.0
159.11636	1.7
161.05904	1.7
161.09561	3.8
163.03854	36.8
163.07510	1.5
163.11099	3.3
165.01775	83.2
167.06975	62.2
169.12201	1.2
171.02823	77.4
173.05884	1.1
173.09389	1.0
173.13333	0.7
174.06717	1.1
175.11108	1.8
177.05432	1.3
179.03288	7.6
179.06909	1.0
183.02823	80.3
184.03122	1.4
187.03796	1.3
187.07391	1.0
189.01712	0.9
189.09100	2.7
191.03308	2.9
191.06775	1.1
193.08614	1.2
195.02876	6.9
197.05943	3.0
197.07837	1.0
201.05377	0.8
205.04825	3.6
207.02835	3.1
209.08093	1.7
211.09573	1.1
215.07043	1.1
215.09097	1.1
219.02975	0.8
219.10060	5.1
225.05556	1.3
227.06834	0.8
229.04939	1.4
231.13635	1.2
243.06465	1.1
245.04512	0.8
253.04910	3.0
259.13278	1.5
261.03815	1.6
271.05896	17.3
273.03806	1.3
277.14185	3.1
283.05917	4.7
287.05286	1.7
287.12643	0.8
288.13019	0.8
289.06961	80.1
295.15219	3.4
299.05347	3.3
301.06918	41.2
302.07388	1.9
303.12003	0.9
313.06891	0.9
314.71356	0.8
331.08005	1.6
343.07877	1.7
385.12726	0.7
386.12961	1.1
397.09198	1.4
409.08884	1.6
429.15137	3.7
439.17297	3.4
447.16156	1.3
465.17175	1.4
517.63293	0.9
547.19067	0.9
583.21619	0.9
601.24164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15495	6.9
53.43446	6.2
55.05491	29.3
57.07045	12.0
58.53753	6.8
67.05476	32.2
69.03394	11.4
69.07064	7.7
79.05463	28.3
81.03383	32.9
81.07018	43.2
89.05981	9.5
91.05437	34.3
92.34274	7.5
93.07015	54.3
95.04957	11.0
95.08554	59.8
105.06982	100.0
107.08548	49.0
109.06495	10.3
109.10088	12.9
117.07001	10.5
119.08530	65.9
121.10059	16.9
123.07994	16.6
129.06921	14.6
131.08519	49.3
132.09389	8.8
133.08549	9.2
133.10063	38.1
135.08003	10.0
135.11667	9.5
142.07736	14.0
143.08488	42.7
145.10068	33.0
147.08034	14.2
147.11641	13.8
151.07503	9.8
155.08444	9.4
156.09308	11.3
157.10066	61.9
159.07904	13.2
159.11632	18.7
161.09467	13.7
165.09064	32.4
171.11639	18.7
174.66682	7.2
183.11594	13.7
189.02042	10.0
195.11661	11.4
197.09543	8.2
199.11108	10.4
207.11543	16.0
209.13243	12.0
221.13327	8.6
221.15356	47.4
229.57188	7.4
235.14714	7.7
271.20410	8.2
303.19608	15.5
325.27664	8.5
334.13275	7.6
337.27286	9.9
352.23740	32.5
489.02463	8.6
520.35126	34.2
559.66339	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	601.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00150	1.1
52.16825	1.2
53.03933	1.3
55.01855	3.0
55.05494	5.8
57.03432	1.7
57.07064	2.5
62.01123	1.1
67.05482	18.0
67.13976	1.4
68.99742	1.6
69.03422	11.7
69.07047	10.8
71.04965	2.8
76.69330	1.3
79.05448	13.3
80.82771	1.0
81.03382	18.8
81.06548	2.6
81.07026	64.7
83.04941	2.4
85.02885	6.8
91.05449	9.0
93.07008	30.0
95.04944	10.2
95.08573	33.9
97.02873	12.3
97.06516	3.3
103.03960	1.3
105.06999	16.3
107.04925	5.1
107.08566	28.0
109.02855	5.8
109.06489	8.2
109.10137	16.2
111.00793	1.7
111.04416	6.1
115.10204	1.2
117.03355	2.2
117.06961	2.1
117.89454	1.2
119.04914	1.3
119.08540	6.0
121.06475	5.0
121.10102	7.4
123.04392	5.5
123.11658	22.8
127.03913	2.1
129.06982	2.2
131.08487	5.0
133.06435	1.7
133.10066	12.9
135.04367	12.5
135.08032	2.6
135.11642	6.6
137.05951	6.6
137.09552	1.5
139.03836	3.3
141.01794	5.5
143.08583	1.6
145.02806	8.1
145.10097	7.3
147.04343	1.5
147.08089	1.8
147.11693	3.0
149.05951	1.7
149.09544	2.1
151.11108	14.7
153.01782	68.3
153.03029	2.3
157.10042	1.9
159.08034	1.8
161.09604	3.0
163.03844	50.5
163.11131	6.7
165.01773	100.0
169.12125	2.1
171.02861	5.6
171.89915	1.4
173.09634	2.2
175.11090	1.8
177.01807	2.1
179.03345	8.2
179.06969	2.4
181.12180	1.8
183.02831	66.1
185.09491	1.5
191.03346	8.6
195.02818	16.0
205.04977	5.5
207.02791	7.2
215.09004	2.6
219.02794	1.8
225.03891	2.2
227.03482	1.8
247.13098	2.6
259.13190	5.7
261.04041	2.5
271.05896	2.0
273.03821	3.2
277.14212	4.8
277.21677	1.6
284.76837	1.4
287.05331	9.6
288.05701	8.7
289.06937	43.4
295.15250	5.6
301.06985	38.9
325.06946	2.6
331.08041	3.2
343.08005	7.4
367.07968	2.7
397.08594	2.0
409.08954	3.1
429.15201	6.8
447.16324	7.4
465.17023	2.5
547.19574	2.9
565.20117	2.0
583.21777	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37382	3.5
54.81429	3.9
55.05488	17.5
57.07052	21.1
57.77971	4.3
58.00971	3.8
64.63605	3.7
67.05465	36.8
69.03403	18.0
69.07024	19.6
72.97338	3.9
79.05469	43.4
81.07021	38.9
83.04954	8.4
87.04426	4.6
89.05989	18.4
91.05446	56.9
93.07007	74.0
95.04952	29.8
95.08578	32.4
97.06477	8.5
103.05392	6.8
105.06993	100.0
107.08565	65.0
109.06480	27.3
109.10114	18.1
110.76849	5.1
117.06944	34.0
119.08548	77.8
121.06464	18.1
121.10080	42.6
122.07217	5.5
123.08025	29.1
125.05929	5.1
125.52652	4.1
129.06955	24.9
130.07724	8.0
131.08510	42.5
133.06450	7.1
133.08594	4.7
133.10080	49.2
135.07973	33.2
135.11635	5.7
137.05865	7.3
137.09572	10.1
141.06938	6.4
142.07748	36.5
143.08530	57.1
144.09322	9.8
145.10081	75.2
147.07986	43.6
147.11691	6.3
149.09576	16.4
151.05060	4.8
151.07515	21.0
155.08507	21.8
156.09271	20.1
157.10069	69.4
158.10947	5.5
159.08022	10.5
159.11620	44.8
161.09531	16.3
161.13205	18.0
163.11082	9.1
165.09032	36.1
167.08519	6.6
167.10590	5.5
168.09271	7.5
169.10042	34.7
170.10892	8.4
171.11646	35.0
172.12381	5.0
173.09560	10.5
173.13193	18.5
175.11136	27.2
179.08543	15.5
180.09106	5.5
180.72507	5.1
181.10081	23.5
181.12131	7.9
182.10817	6.1
183.11638	36.7
185.09566	6.1
185.13161	22.7
187.11145	7.7
189.12801	5.6
190.13519	6.0
193.10120	9.4
193.12210	4.5
194.10933	4.9
195.11670	30.9
196.12355	6.7
197.09648	4.7
197.13094	18.3
199.11142	5.8
199.14670	5.6
201.12672	7.1
203.14288	22.5
206.10847	6.3
207.11572	18.2
207.13513	6.0
208.12198	5.5
209.13185	19.4
211.11002	5.5
211.14833	4.4
213.12749	6.1
215.14160	5.0
221.13310	9.1
221.15309	46.0
223.14709	8.8
225.12697	6.6
225.16333	5.4
231.11583	6.0
233.15303	16.1
235.14688	5.2
237.14629	17.3
247.16928	5.4
248.13774	6.3
249.16266	6.8
255.17297	6.1
259.14523	5.6
286.19028	7.0
287.19922	5.9
299.19928	8.0
303.19269	20.1
313.21558	6.3
325.21378	17.2
337.21777	6.5
352.23801	48.7
365.24588	27.6
415.24826	4.9
466.54764	4.3
505.33032	5.0
507.35083	31.1
507.41266	4.8
520.35291	31.3
524.91748	5.2
600.40814	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34330	7.5
55.05490	15.3
57.07064	7.4
58.58737	6.7
59.15071	7.3
67.05475	37.0
69.03407	14.6
69.07041	12.3
71.04952	7.4
73.65651	8.4
76.54902	10.1
79.05457	32.3
81.07013	57.6
83.04919	9.8
83.08560	9.2
89.05977	13.9
91.05435	51.8
93.07003	81.6
95.04903	13.1
95.08551	50.8
105.07000	100.0
107.08549	64.9
109.06493	30.8
109.10115	15.3
117.06947	14.5
117.92859	7.5
119.08538	90.5
121.06434	13.8
121.10095	50.1
123.08000	34.9
128.06201	12.6
129.06995	13.8
131.08498	45.2
133.08588	9.5
133.10074	42.6
135.07983	18.9
137.09587	15.7
141.06795	9.6
142.07712	18.4
143.08505	53.6
144.09245	11.7
145.10095	59.6
147.07970	16.9
147.11652	14.6
149.09554	18.9
151.07500	16.2
151.44041	8.0
153.07936	7.4
155.08524	10.6
156.09258	26.4
157.10078	74.1
158.10880	10.1
159.11635	36.3
161.09601	10.4
163.11005	7.6
165.09055	33.9
169.10034	36.3
171.11597	33.3
173.13271	11.4
175.11130	35.7
179.08363	8.9
181.10036	12.3
183.11551	14.7
185.13139	19.1
193.10075	11.6
195.11708	15.9
197.13347	8.9
199.14819	13.9
203.14333	14.7
207.11708	10.7
209.13148	13.7
211.14790	9.9
221.13354	10.1
221.15248	59.1
233.15283	17.4
237.12625	10.8
237.14676	11.8
303.19385	30.7
325.21683	10.2
352.23944	59.4
416.27155	9.1
520.35107	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55043	1.6
53.03918	2.4
55.05503	13.9
57.07051	13.9
59.04973	2.3
64.51443	1.6
65.03910	2.7
67.05481	26.8
69.03407	15.9
69.07029	13.0
70.61429	1.6
79.05453	29.9
81.03383	2.0
81.07024	33.3
83.04952	16.1
83.08587	4.5
85.06498	3.6
89.05981	3.5
91.05445	54.6
93.07009	72.0
94.07779	1.9
95.04928	23.6
95.08574	36.5
97.06497	8.7
103.05424	3.7
105.07000	100.0
107.04907	3.4
107.08554	49.0
109.06493	21.6
109.10137	13.7
111.08050	2.2
115.05416	3.0
117.06989	21.4
119.04966	2.6
119.08543	82.0
120.09300	3.6
121.06467	16.0
121.10099	44.8
123.08038	29.6
123.48347	1.9
125.05962	3.9
125.09612	3.3
128.06189	8.7
128.51559	1.8
129.06947	25.2
130.07738	9.2
131.08539	45.6
133.06450	8.4
133.10071	43.3
135.07999	31.4
135.11662	12.4
137.05920	2.0
137.09593	15.2
141.06953	10.0
142.07722	24.5
143.08517	53.7
144.09297	11.2
145.06406	2.4
145.10075	65.2
146.07333	3.0
147.08011	40.0
147.11653	11.4
148.08824	2.2
149.09576	20.8
151.07486	22.7
151.11221	2.4
153.06944	2.7
154.07776	2.3
155.08498	21.6
156.09288	21.1
157.10074	70.8
158.10847	8.4
159.07953	18.7
159.11609	29.0
161.09535	14.7
161.13158	6.9
163.07574	2.0
163.11110	15.1
165.06950	8.0
165.09041	42.5
166.07739	2.0
167.08498	10.0
167.10652	7.8
168.09264	10.6
169.10043	28.3
170.10843	11.5
171.07962	2.1
171.11618	31.9
172.12381	4.4
173.09572	14.2
173.13164	13.6
175.11134	26.9
177.12608	2.1
179.08531	11.4
180.09271	9.5
181.10020	17.8
181.12245	3.9
182.10808	7.1
183.11642	27.7
184.12422	4.4
185.09554	3.9
185.13164	19.9
186.42970	1.9
187.11127	9.6
187.14807	2.5
188.52318	2.1
189.12712	11.3
190.13562	2.2
192.09326	3.5
193.10068	15.0
193.12186	11.4
194.10869	7.9
195.11627	21.7
195.66266	2.1
196.12425	4.4
197.09560	3.5
197.13213	16.9
198.13843	2.9
199.11124	7.3
199.14821	3.4
201.12724	4.0
203.14227	22.5
205.10194	2.2
206.10851	7.3
207.11662	12.2
207.13788	9.7
208.12422	8.4
208.14473	3.9
209.13319	15.7
209.15060	3.1
210.14046	3.4
211.11128	4.4
211.14801	8.0
213.12685	11.4
215.14203	3.8
217.10170	2.2
219.11687	3.9
219.13681	8.1
220.12407	2.4
221.13190	9.6
221.15329	40.9
222.14034	3.3
223.14728	8.3
225.12631	7.2
225.16212	2.8
227.14259	2.4
229.12167	2.4
233.13168	6.9
233.15276	16.1
234.16032	7.8
235.14783	9.4
237.12624	3.7
237.14430	15.4
239.14156	4.0
239.17827	2.9
240.15036	1.9
245.13246	2.6
246.14000	2.9
247.14607	3.4
247.16866	4.0
248.13908	4.2
249.16370	6.7
251.14296	2.9
253.15790	4.3
255.17453	14.3
260.98535	1.8
261.16238	7.2
263.17960	1.9
269.57239	1.9
271.16913	3.2
281.18961	3.6
286.19260	7.9
287.20013	3.8
294.19717	2.1
299.19946	9.9
303.19513	28.7
313.21585	7.7
319.20483	2.3
325.21490	8.6
337.21588	3.3
352.23819	50.5
365.24673	14.8
383.25143	2.4
401.33188	1.8
502.34012	3.3
503.34937	2.8
505.32861	2.8
507.34283	4.1
520.35297	34.2
600.41071	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	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72372	3.7
55.05501	6.2
57.07056	15.7
58.65345	4.0
67.05479	18.8
69.03387	6.5
69.07025	5.2
74.45414	3.4
79.05471	26.1
80.48357	3.7
81.07034	24.3
85.61920	3.6
85.74758	4.2
87.66497	4.5
89.06001	9.1
91.05435	41.0
91.64822	3.6
92.09413	6.6
93.06998	48.9
95.04932	9.4
95.08581	25.6
97.06476	5.2
99.58095	3.4
105.07003	75.3
107.08562	32.3
109.06503	15.8
109.10121	9.0
117.06982	18.0
119.08546	100.0
121.06461	9.5
121.10117	29.8
123.08033	26.1
125.05983	18.1
129.06978	19.2
131.08533	42.1
133.06506	4.6
133.10077	34.4
135.07997	30.9
135.11639	6.1
137.09557	16.7
142.07729	6.4
143.08508	30.9
145.10092	59.5
147.08043	35.2
149.09596	20.1
151.07567	8.5
155.08545	19.2
156.09320	6.7
157.10075	47.2
159.07983	6.1
159.11708	31.5
161.09572	9.7
161.13197	6.6
163.11153	24.9
165.09068	34.7
169.10088	18.5
171.11674	23.1
173.09584	6.7
173.13150	6.1
175.11113	37.0
181.10086	7.3
181.12198	5.3
182.10881	5.1
183.11668	20.2
185.13162	6.6
187.11159	8.1
189.12718	9.6
191.10657	4.8
193.10048	4.3
193.12114	6.1
195.11612	6.0
197.13248	7.5
199.11176	5.0
201.12657	6.4
203.14317	18.7
207.13712	8.4
209.13394	4.9
211.14795	6.2
216.15163	5.2
219.13736	7.2
221.13310	8.0
221.15285	54.3
227.14247	7.1
234.16124	9.5
247.16940	17.3
269.15213	4.7
274.19202	7.3
287.20038	6.2
298.19281	4.4
299.20123	15.3
307.20560	6.1
312.20804	4.9
313.21637	7.4
325.21634	16.7
339.23019	6.1
340.23758	15.5
352.23935	28.4
379.26407	5.4
425.26657	6.7
427.28085	9.1
440.28986	59.3
520.35199	42.0
600.40765	7.4
609.14105	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	600.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02877	0.3
67.05467	0.7
69.03399	1.7
69.43949	0.3
81.03395	0.3
83.04981	0.3
85.02885	2.8
91.05412	2.3
92.08661	0.3
95.08558	2.7
97.02859	0.5
98.97544	3.6
105.06979	1.3
106.53336	0.3
107.04922	1.3
109.06436	0.3
115.05448	0.6
116.98608	2.0
117.06927	0.6
119.08515	0.5
121.06456	0.6
123.08034	0.4
123.23891	0.3
128.06194	2.0
129.06955	6.0
131.04874	0.5
131.08525	8.3
132.05579	0.7
133.06465	1.6
133.10037	0.5
134.99614	0.3
141.06920	2.7
142.07706	0.4
143.08521	1.8
144.05659	2.9
145.06479	2.3
146.07240	0.5
147.04327	0.4
147.11615	0.5
149.09563	0.4
151.07451	0.4
153.06921	1.3
156.05597	0.5
157.06459	3.3
158.07214	0.7
158.99554	0.6
159.07994	16.6
161.05919	0.6
161.09590	3.6
167.06918	1.1
169.06331	0.6
169.07570	1.5
170.07222	3.3
171.07967	3.5
171.09264	0.4
172.05142	1.3
173.05902	2.1
174.06711	1.2
175.07474	1.3
177.00653	0.7
177.05396	0.5
186.06696	0.4
187.07458	12.4
188.08147	0.7
189.05418	0.5
189.09036	5.0
189.12645	0.3
191.06961	1.1
193.08560	0.4
198.06728	0.7
199.07497	1.7
201.05363	0.4
203.06996	2.9
204.07758	6.7
205.08582	0.7
206.09258	0.4
207.10071	0.5
207.13821	0.3
216.07658	1.7
217.08575	0.5
218.09186	0.3
219.06557	0.3
219.10103	2.6
221.11635	1.8
231.10054	4.1
234.08781	0.6
237.11137	0.7
249.11121	100.0
250.11383	2.0
263.09369	0.4
267.12143	3.0
279.05859	0.3
281.10580	0.5
323.11469	1.7
341.12567	0.5
406.17322	2.9
406.67435	1.7
407.17761	0.5
425.14957	0.6
520.18146	0.3
575.70349	0.3
587.34595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78081	1.7
53.03933	1.6
55.05495	12.0
56.27526	1.7
57.03421	2.9
57.07051	2.4
60.15721	1.6
60.92074	1.4
63.24774	1.3
67.05479	11.5
69.03413	6.6
69.07043	8.5
71.04969	23.5
73.06537	2.4
75.04456	7.1
76.55344	1.7
79.05454	24.3
81.03399	2.7
81.07004	23.3
81.14786	1.6
83.04925	1.9
83.08595	3.8
84.88629	1.7
85.02859	4.0
91.05447	20.5
93.07010	100.0
95.04938	7.6
95.08571	37.9
97.02875	2.0
97.06472	2.8
99.08071	3.0
105.06994	36.2
107.08554	38.9
109.10126	14.5
111.08084	4.0
112.22875	1.7
119.08530	18.1
121.06463	2.1
121.10102	72.4
121.43092	1.5
123.11641	1.8
125.09608	12.4
127.11105	2.3
131.08536	9.6
133.10072	40.9
139.11125	3.2
143.10684	18.7
145.10091	6.4
147.11659	10.0
149.09576	11.7
149.13225	18.3
157.10062	2.3
159.11650	9.6
161.13203	1.9
167.06993	2.4
167.10599	17.1
167.14255	35.3
201.16306	2.5
219.17326	16.3
235.71497	1.8
237.18559	2.2
267.09003	2.6
285.10092	8.0
311.14691	19.1
410.30389	1.8
473.61066	2.2
605.54309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.8
55.35302	1.2
57.07059	7.9
57.48076	1.3
59.04972	2.7
67.05488	17.4
69.03413	11.1
69.07041	11.5
79.05459	18.4
81.07018	20.6
82.22681	1.2
83.04958	14.1
83.08596	6.0
85.06508	8.2
91.05440	26.0
92.85484	1.4
93.07002	26.8
95.04929	12.5
95.08574	13.3
97.06498	3.3
98.66990	1.7
103.05467	1.5
105.07003	50.4
107.04961	1.9
107.08562	30.3
107.09242	2.2
109.06483	14.6
109.10120	9.6
109.91753	1.3
111.08022	1.9
115.05366	3.1
115.63277	1.4
117.07007	12.1
119.08534	39.8
121.06474	11.6
121.10102	25.3
121.10892	1.8
123.08035	13.9
125.09573	3.0
128.06200	7.7
129.06947	10.8
130.07770	2.5
131.08530	29.5
133.06465	3.3
133.10094	24.6
135.08026	19.2
135.11687	3.1
137.09596	9.1
139.07436	1.6
141.06990	3.3
142.07733	18.0
143.08546	29.2
144.09329	8.8
145.10088	33.9
147.08006	14.6
147.11668	7.8
149.09581	14.9
151.07451	17.8
153.06995	2.1
155.08536	15.8
156.09294	19.2
157.10083	30.3
158.10855	2.0
159.07976	15.3
159.11674	20.8
161.09599	9.1
161.13263	3.4
163.11107	3.7
165.07034	2.4
165.09079	21.0
167.08510	7.5
167.10606	3.6
168.09387	2.3
169.10028	18.2
170.10867	9.3
171.08035	1.8
171.11650	20.5
172.12462	2.1
173.09598	6.5
173.13277	8.4
175.11133	10.0
179.08557	8.2
180.09378	2.3
181.10043	13.6
182.10912	7.8
183.11655	14.4
185.09637	2.1
185.13243	7.7
187.11092	2.5
189.12743	8.6
191.14310	2.2
192.09297	2.7
193.10146	7.5
193.12212	1.4
194.10825	7.6
195.11642	14.1
195.13322	1.4
196.12332	2.1
197.13205	11.2
199.11191	3.4
199.14767	3.2
201.12758	2.8
203.14323	7.6
205.10089	2.1
206.10936	2.9
207.11670	8.7
207.13817	7.1
207.34770	1.8
208.12352	5.1
209.13289	10.6
209.15155	1.6
210.14128	1.9
211.11192	2.2
211.14816	7.1
213.12727	2.1
214.13643	2.0
215.14349	3.2
217.10208	1.9
217.12186	2.0
219.11694	2.6
220.12376	2.5
221.13206	7.1
221.15359	23.2
223.14842	5.7
225.12698	2.5
225.16403	6.0
227.17882	1.7
231.11653	2.4
231.13786	2.2
233.13202	5.4
233.15259	38.5
234.13936	2.3
235.14786	3.4
237.16475	1.5
244.12436	1.8
245.13197	2.5
247.14787	2.0
248.11923	1.7
257.15332	1.6
257.18970	1.9
261.16129	2.4
265.15759	1.5
274.17227	1.5
281.19058	5.7
285.18549	1.8
286.19458	2.1
291.17410	1.5
297.18759	1.5
299.20065	1.7
352.24362	1.4
373.24973	2.5
377.25168	1.6
391.26126	1.7
507.34558	60.8
553.11346	1.5
599.40778	100.0
600.41290	1.8
611.75439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.81146	1.6
55.01862	1.4
55.05486	9.4
55.08691	1.5
57.07070	15.1
59.04968	3.4
64.17222	1.5
67.05484	15.4
67.31622	1.4
69.03396	12.0
69.07039	6.9
77.67854	1.8
78.87628	1.6
79.05450	14.4
81.06606	2.2
81.07031	21.3
83.04944	3.0
85.06503	3.6
91.05443	27.0
93.07014	38.9
95.04921	9.8
95.08597	21.8
97.06508	4.0
105.06996	48.8
105.12904	1.8
107.08551	23.3
109.06493	15.5
109.10136	6.6
115.05408	1.9
117.06987	10.0
117.26298	1.7
119.08537	42.8
121.06448	7.1
121.10126	19.7
123.08016	26.5
128.06212	8.1
129.06972	12.0
130.07732	2.0
131.08492	18.0
132.09267	1.8
133.06485	3.3
133.10085	23.2
135.08014	18.5
135.11612	2.5
137.09578	24.7
139.07526	4.0
141.06943	2.5
142.07698	12.3
143.08505	21.3
144.09296	4.4
145.10072	28.5
147.08003	43.4
147.11661	4.2
149.09598	9.4
151.07515	11.9
155.08519	13.3
156.09312	12.1
157.10077	31.9
158.10899	2.0
159.11597	16.2
161.09572	10.8
161.13235	9.3
163.11069	12.2
165.09059	73.4
167.08475	2.4
169.10115	10.7
170.10934	2.9
171.07889	2.1
171.11661	19.3
173.09570	7.6
173.13211	3.5
175.11156	2.7
175.14801	2.7
177.09056	2.1
179.08554	1.9
181.10062	9.7
181.12219	3.4
182.10867	2.9
183.11685	14.8
185.09650	2.9
185.13148	12.2
189.12730	7.2
191.10616	7.3
192.09229	2.1
193.10094	2.8
194.10902	2.1
195.11668	3.7
196.12431	2.6
197.13171	6.9
199.11072	2.9
201.12694	2.6
203.14259	26.7
207.11775	4.0
207.13812	8.3
208.12241	1.9
209.13251	8.4
211.11073	1.6
211.14862	4.3
213.12741	3.1
215.10905	2.2
221.13330	5.6
221.15283	84.1
223.11137	2.3
225.12880	3.4
231.13817	3.3
233.13249	2.6
235.17715	2.1
237.12646	2.5
241.15721	2.3
245.40538	2.1
247.16881	12.2
287.20117	6.9
299.20084	7.2
365.24738	3.2
391.26233	9.1
419.29437	2.9
427.28287	8.3
460.66904	1.9
507.34439	10.4
519.34448	4.0
599.11548	2.2
599.31201	3.4
599.40765	100.0
612.68732	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	9.4
57.07055	5.7
58.95779	1.1
59.04976	2.4
67.05483	12.0
69.03416	9.0
69.07037	7.1
72.78222	1.0
79.05459	15.1
81.07026	21.2
83.04947	10.6
83.08590	4.8
85.06511	6.3
91.05437	28.9
93.07009	28.0
95.04924	12.5
95.08576	13.4
97.06478	4.6
105.06996	41.4
105.07674	1.9
105.73276	1.1
107.04898	1.8
107.08566	25.6
109.06494	10.8
109.10134	8.5
111.08064	2.6
115.05401	2.5
117.06989	8.0
119.08535	37.3
121.06451	11.0
121.10109	25.4
123.08030	11.7
123.11670	1.3
125.05965	1.5
125.09639	2.0
128.06194	6.6
129.06953	11.0
130.07770	4.9
131.08524	22.5
133.06461	2.6
133.10075	21.2
135.08026	10.5
135.11662	5.3
137.09547	9.0
141.06987	2.9
142.07730	14.9
143.08519	22.4
144.09323	7.9
145.06413	1.5
145.10088	25.7
146.07216	1.6
147.08012	18.0
147.11697	5.5
149.09586	12.1
151.07506	13.7
154.07707	1.6
155.08490	9.7
156.09297	10.9
157.10062	31.4
158.10828	1.7
159.08005	14.0
159.11598	12.1
161.09589	7.0
161.13191	1.6
163.11124	5.0
165.06984	5.1
165.09023	13.9
167.08499	6.1
167.10655	6.6
168.09271	2.6
169.10110	13.7
170.10841	5.7
171.11635	18.0
172.12431	1.3
173.09602	5.5
173.13101	8.2
175.11165	7.4
177.09045	2.1
179.08501	7.4
180.09341	2.5
181.10077	6.7
181.12160	2.6
182.10860	6.9
183.11577	13.2
185.09552	5.0
185.13176	9.1
187.11162	2.9
189.12689	5.8
191.14209	2.0
192.09335	1.6
193.10132	4.7
194.10902	2.4
195.11612	12.4
196.12509	2.0
197.13196	10.6
199.11128	2.9
199.14781	4.7
201.12631	1.7
203.14287	5.6
204.09392	1.3
205.10065	1.6
206.10968	2.3
207.11646	9.9
207.13788	9.4
208.12485	4.6
209.13242	7.8
209.15109	2.0
211.11099	2.0
211.14836	5.3
213.12735	2.4
215.14151	2.7
217.10051	1.4
218.10854	1.8
218.24809	1.2
219.11662	1.6
220.12451	1.8
221.13214	5.3
221.15334	18.7
223.11258	1.4
223.14746	6.3
225.12611	2.1
225.16312	2.0
227.14226	1.6
231.11584	1.7
233.13129	4.1
233.15300	28.2
234.14018	1.3
235.14787	2.2
237.16367	2.9
245.13168	2.4
247.14705	4.7
248.15596	1.4
251.14140	1.6
253.15756	1.5
257.12961	1.4
260.15494	1.2
261.16245	1.9
271.14816	2.1
281.19009	5.0
287.20102	1.7
299.20062	1.3
377.24484	1.3
412.35709	1.4
489.33704	1.7
493.33176	1.8
507.34503	56.4
599.40747	100.0
600.41699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38668	0.4
50.98552	0.5
53.03907	0.8
55.01852	2.9
55.05482	0.6
57.03408	1.4
59.04993	0.5
67.05492	0.7
67.79037	0.6
69.03402	2.2
71.04955	0.7
71.33862	0.6
75.04456	1.1
79.05463	9.8
81.03377	0.7
81.07011	1.2
85.02859	3.0
91.05457	10.6
93.03355	3.6
93.07008	4.5
95.04935	3.7
95.08559	1.3
97.02869	1.1
97.06519	2.0
100.11194	0.8
103.05430	10.5
104.06194	1.2
105.01831	0.7
105.03352	0.6
105.06999	37.4
106.04144	9.0
107.04941	6.7
107.08542	2.3
109.02836	0.7
109.06475	2.6
115.05415	2.5
117.06976	0.7
118.04115	11.7
119.04943	5.8
120.05684	2.4
121.06457	12.9
122.03567	0.6
122.07245	4.3
123.04372	2.5
123.08025	3.1
124.05146	2.6
125.05950	3.1
127.03862	1.0
131.04883	3.0
132.05656	2.2
133.06453	40.5
134.03619	1.1
134.07166	1.1
135.04396	4.9
135.08011	7.6
137.05933	11.4
139.07526	0.9
146.03581	1.4
147.04355	2.5
148.05176	4.1
149.05930	19.9
150.06720	26.5
150.73132	0.7
151.02092	0.8
151.07481	8.2
152.02304	0.5
153.05359	0.7
153.08963	4.6
161.05882	5.3
163.03845	1.4
163.07472	0.9
165.09062	28.7
167.06981	17.9
170.04045	0.6
177.05402	9.4
178.06149	4.4
179.01555	0.6
179.03416	0.6
179.06969	3.6
180.07768	0.7
181.08510	6.3
190.00774	0.7
191.06982	2.5
192.06384	0.8
193.08540	98.0
194.08882	0.8
195.06505	0.7
207.08894	1.0
209.08032	32.9
211.09593	100.0
212.10027	0.9
220.95459	0.6
223.04152	8.6
323.43155	0.6
403.17264	1.0
573.95209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68805	4.1
54.81026	5.0
57.07062	66.2
60.32752	4.6
66.03426	4.1
66.38480	4.3
69.07048	8.3
71.08589	33.5
73.06535	11.1
77.94960	4.7
79.56826	5.1
81.07009	7.8
83.57712	5.7
85.10143	10.9
86.87102	4.5
89.05996	100.0
92.09334	9.0
95.24222	4.6
97.10126	6.0
105.07015	6.5
107.64413	5.1
119.08537	6.6
122.27248	4.5
133.08568	35.6
177.11166	8.2
244.00053	5.6
299.29330	7.7
371.22604	7.2
581.46155	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	599.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.1
57.03408	1.4
58.62827	0.3
61.02903	0.4
68.99761	11.9
69.03389	1.8
79.05457	0.5
81.03390	2.5
83.04935	0.8
85.02872	4.8
91.05444	0.7
93.03347	0.4
95.04928	1.9
97.02841	3.0
107.04962	0.5
109.02829	2.2
109.06452	0.4
111.00736	0.6
111.04401	6.4
115.03862	0.4
117.03264	0.4
117.06941	0.4
119.04887	0.7
121.02809	7.8
123.04344	1.9
123.32961	0.3
125.02303	0.4
127.03892	3.2
131.04897	0.6
135.04355	4.5
137.02292	100.0
137.05896	1.5
137.68356	0.3
138.02625	0.7
139.03854	9.7
147.04362	1.7
149.02214	0.5
149.05894	0.5
151.03857	3.6
153.01770	18.1
155.03351	0.4
161.02226	0.7
163.03830	7.6
165.01770	15.4
165.05385	1.3
167.03326	0.4
169.04900	1.6
171.02791	0.8
175.03867	1.6
177.01778	6.9
177.05434	2.0
179.03325	18.1
181.04893	0.8
181.68912	0.3
183.02812	12.5
187.03781	0.6
189.01778	0.7
191.03317	13.2
193.04875	6.4
195.02812	16.9
195.04524	0.6
197.04385	0.6
203.03322	12.2
203.79189	0.3
205.04878	13.1
205.54906	0.4
207.02831	4.3
209.04355	0.5
213.08995	0.4
217.04877	0.6
219.02800	32.8
221.04369	0.6
223.05928	3.9
231.02798	12.1
237.03740	0.4
241.06970	0.5
247.05927	1.9
249.03847	25.7
252.18997	0.4
260.51337	0.4
267.04892	19.8
271.55621	0.4
285.05930	5.4
287.05417	1.8
299.05374	10.3
305.06461	0.7
311.05289	3.4
313.06705	0.5
323.05499	0.6
329.06403	8.9
347.07474	1.3
353.06485	0.7
365.06305	1.3
371.07477	7.0
383.07538	6.9
401.08456	7.8
401.22498	0.4
411.75534	0.4
419.09528	34.0
420.09729	0.6
437.11206	0.4
509.13144	0.4
581.14709	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44644	0.5
53.00283	0.7
53.03927	4.3
53.38757	0.6
54.80267	0.7
55.01854	5.0
55.05486	3.7
57.03424	4.2
59.04973	1.4
59.81500	0.5
61.02903	4.7
65.10378	0.5
65.98244	0.5
67.05467	1.3
68.93630	0.5
68.99765	0.6
69.03405	21.7
69.07028	3.0
71.04967	29.2
73.02876	3.9
73.06522	6.6
79.05464	7.5
81.03389	19.2
81.07027	31.7
83.04970	1.1
85.02876	63.6
87.00801	35.6
87.01254	0.7
87.04404	0.5
91.03892	1.0
91.05445	1.3
92.08745	0.8
93.07008	22.2
95.04977	0.8
95.08585	2.4
96.14848	0.6
97.02278	1.1
97.02856	18.8
97.06504	3.0
99.04425	6.4
103.03889	1.2
103.05412	0.7
105.01833	29.4
105.06975	1.3
107.04915	4.0
107.08555	16.1
109.02150	1.0
109.02846	16.1
109.10130	3.0
111.04390	0.7
115.03902	0.8
115.05370	2.2
117.06996	6.5
123.04395	1.2
126.64594	0.5
127.03867	36.3
129.01775	2.4
129.07011	0.6
131.08522	1.0
133.06480	0.7
135.11650	29.0
141.06917	1.2
145.04916	10.0
145.06441	17.6
151.03819	0.6
153.12695	100.0
153.66498	0.6
154.13004	0.6
155.06003	1.5
155.24866	0.6
156.05626	2.4
159.02832	3.8
159.08005	2.3
161.05951	1.4
167.06975	19.5
171.02814	0.6
173.05911	23.4
173.07390	0.8
180.08817	0.8
184.05179	0.9
187.07538	0.9
189.05420	0.7
190.06174	16.6
191.06996	0.7
193.08467	0.8
202.06107	2.6
203.06984	1.1
205.08543	23.1
213.03879	3.0
217.08543	16.1
219.10162	0.9
231.04910	11.0
235.09554	4.4
247.09645	0.9
249.05910	7.0
253.06874	0.6
265.10681	7.8
308.10217	0.7
315.08533	1.2
330.10739	2.2
371.72717	0.7
383.14746	3.9
393.10110	1.3
401.15613	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	598.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90120	0.5
53.00278	0.6
53.03928	4.0
55.01862	5.8
55.05482	3.8
57.03423	5.3
57.03652	0.6
58.91520	0.6
59.04983	2.8
61.02896	4.8
67.05458	2.5
68.99741	0.9
69.03030	1.3
69.03403	34.5
69.07035	3.9
71.04966	33.8
73.02879	6.4
73.06526	6.5
74.94182	0.6
79.05458	6.4
81.03388	24.7
81.07027	34.3
82.07351	0.6
83.01287	0.6
83.04955	0.9
85.02877	75.7
87.00799	42.5
87.04443	0.7
91.03922	1.3
91.05433	3.2
93.07006	20.6
94.86237	0.7
95.08551	4.6
97.02853	36.6
97.06467	2.4
97.11600	0.6
99.04428	10.6
101.02325	0.9
105.01833	48.8
105.07019	1.4
107.08560	19.7
108.43759	0.6
109.02846	28.6
109.10130	3.9
111.04387	0.8
115.03904	1.1
117.01817	1.0
119.08527	0.7
123.11632	0.7
127.03870	54.1
129.01779	3.0
133.10065	2.3
134.10408	0.8
135.11649	34.6
143.10612	0.6
145.04922	19.1
147.02844	1.1
153.12700	100.0
154.13042	0.7
159.02831	8.0
171.02794	0.7
171.13708	0.7
189.03938	1.3
195.80336	0.7
213.03848	6.0
219.17300	1.0
220.17656	0.7
231.04906	20.9
249.05977	16.2
250.47778	0.6
253.06921	1.5
271.07892	1.3
313.61465	0.6
357.08127	1.2
393.09918	3.5
398.48944	0.6
479.08954	0.9
563.11560	1.0
591.26672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.3
53.03923	1.3
55.01859	9.3
55.43079	1.1
57.03406	1.8
61.02888	1.5
65.03911	4.8
67.05472	6.2
68.99744	1.5
69.03402	4.7
69.70029	1.0
71.00799	1.0
71.01329	2.3
71.04942	1.6
79.05449	7.2
81.03378	1.3
81.07026	4.6
83.01349	1.8
85.02882	9.6
91.05434	23.6
91.81667	1.3
93.03366	33.9
93.06991	1.7
95.01310	9.4
95.04933	11.7
97.02846	2.4
99.00764	1.3
99.04395	1.3
103.05431	5.4
105.03347	5.6
105.06990	8.9
107.03441	1.2
107.04907	6.8
107.08599	1.5
109.02856	1.6
109.06461	6.0
111.04422	5.4
112.22340	1.3
112.92737	1.4
113.02337	3.0
117.06972	1.6
118.04070	1.4
119.04897	26.4
121.02821	8.5
121.06441	2.5
122.03593	6.7
123.04394	14.7
124.05148	1.3
125.02312	5.9
129.06958	2.0
130.04114	1.4
131.04852	7.7
132.54477	1.4
133.02812	6.4
133.06444	4.9
133.10083	3.0
135.04378	7.3
135.11601	1.5
137.02281	2.3
137.05934	87.0
139.03868	15.3
145.02789	1.8
145.06433	5.5
147.04367	35.7
148.05168	1.6
149.02386	1.5
149.05925	16.1
151.03877	3.1
151.07483	10.4
152.04678	2.3
153.05371	3.1
155.04858	1.5
157.04955	5.3
160.05203	1.3
161.05869	8.7
162.06711	4.8
163.03889	7.0
163.07509	3.0
164.04625	2.4
165.05409	69.3
167.03334	37.4
167.06982	31.2
169.06413	1.4
171.02834	12.2
171.04236	2.4
172.05038	2.0
173.02333	1.6
173.05841	2.9
175.03848	8.2
175.07556	1.9
176.04613	2.5
177.05438	8.5
179.06961	17.2
181.04889	35.0
181.06349	1.4
183.04320	1.7
187.07431	3.1
189.05443	4.9
191.07037	6.5
193.04892	41.0
195.06454	42.1
195.08138	2.1
200.04611	3.0
201.05466	3.0
203.03340	2.8
203.06969	4.8
205.04959	3.0
207.06450	11.4
215.03181	1.4
215.06990	6.4
216.04070	1.8
217.04878	7.6
219.06502	6.7
229.04976	1.4
231.06442	5.3
233.08047	4.8
235.06047	2.3
243.06468	6.8
245.04448	1.6
247.05949	3.1
259.06058	2.6
261.07523	2.4
275.04993	1.6
275.09030	2.9
289.27057	1.4
301.06995	6.8
303.08505	1.7
319.07941	1.7
334.07858	1.5
335.07718	2.1
337.09015	1.4
347.07599	6.1
351.06924	24.0
365.08517	100.0
369.07938	7.0
383.09549	46.3
396.10181	1.6
513.13562	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	597.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.5
53.03918	2.2
55.01845	3.5
57.03420	0.5
61.02907	0.7
62.97257	0.4
65.03921	4.3
67.05464	1.0
69.03403	0.5
75.04451	7.0
76.02193	0.5
77.03882	0.5
78.04684	3.9
79.05453	3.8
81.03389	0.5
81.07014	0.7
82.04173	0.4
85.02873	5.8
89.03870	2.9
89.05988	2.0
91.04896	0.9
91.05444	22.4
92.09383	0.9
93.03368	18.0
93.07005	10.7
95.04924	10.9
97.02811	0.5
97.06499	6.1
98.63909	0.5
103.05419	11.4
105.03377	0.7
105.04478	2.1
105.06982	2.5
106.04137	54.6
107.04922	3.9
108.05692	0.8
109.06482	2.3
111.04414	0.7
117.03334	2.6
118.04079	0.8
119.04884	2.1
121.02883	0.5
121.06456	56.8
122.07252	0.6
123.04321	0.8
123.07974	0.9
124.05145	0.9
125.05943	13.3
125.94588	0.5
131.04944	3.2
131.05798	0.6
133.02792	0.4
133.06404	1.0
134.03593	9.4
135.04333	2.1
137.05936	8.1
138.06729	3.1
139.07501	5.2
145.02789	2.7
147.04352	0.5
148.05135	5.8
149.05930	80.8
151.02042	0.5
151.03896	0.5
151.07483	3.9
152.08313	1.1
153.05426	3.4
153.09053	20.6
161.05901	0.8
162.01273	0.5
163.03792	1.9
163.07489	3.3
165.05383	1.6
166.06177	2.8
167.06979	3.8
177.05403	31.2
179.01570	0.6
180.07800	0.5
181.08524	24.9
190.00798	0.5
191.06859	3.2
192.06407	0.8
197.05733	0.4
207.08861	1.7
209.08017	100.0
210.08643	0.9
223.04161	8.2
303.04907	0.8
306.92944	0.4
387.13950	0.7
419.82941	0.5
501.09097	0.5
513.78271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18784	1.0
51.00003	0.7
54.80816	1.1
55.05486	12.3
56.16790	1.0
56.44289	1.0
57.03414	1.0
57.07033	1.4
59.04980	1.4
61.02908	1.9
67.05475	6.5
69.03413	8.0
69.07037	9.5
71.04961	40.9
73.02860	1.4
73.06541	2.1
79.05456	14.0
81.03378	1.4
81.07021	42.1
83.04958	2.0
83.08585	6.1
85.02877	24.4
85.06516	6.1
91.05447	19.6
93.07006	27.8
95.04932	1.7
95.08564	24.2
97.02830	5.8
97.06487	5.8
97.10104	4.3
99.04449	1.6
99.08058	10.6
103.05511	1.1
104.44335	1.0
105.06994	71.6
107.08553	32.6
107.09226	2.0
109.02835	1.7
109.06486	1.6
109.10117	14.7
117.07004	5.1
119.08540	23.5
121.10085	18.8
123.08012	1.5
123.11642	8.9
125.09590	30.6
127.03869	7.0
127.07529	1.6
127.11137	5.5
130.78465	1.2
131.08521	12.3
133.10078	100.0
135.11635	8.0
139.11121	1.3
143.08559	1.6
143.10622	48.8
145.04921	5.6
145.10060	13.2
147.11641	22.0
149.13196	16.7
151.11140	5.7
159.11620	13.7
161.13194	6.2
167.14255	28.5
169.12152	2.6
173.13152	2.0
180.12691	1.1
201.16298	10.3
201.43686	1.1
219.17352	62.4
221.19022	1.6
237.18419	12.3
418.35678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17877	0.6
57.03416	0.7
57.07065	3.3
60.84812	0.7
69.07034	1.2
71.08612	1.2
71.52503	0.6
76.55559	0.7
81.07034	1.1
85.10145	1.1
92.00442	0.8
95.08577	0.9
100.28122	0.7
102.41104	0.9
109.10173	1.1
149.09654	1.0
149.33577	0.7
170.21504	0.9
202.16840	0.7
283.15094	16.6
339.17651	9.3
595.41602	100.0
596.41833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16450	0.6
53.00286	1.5
53.03931	1.3
55.01850	1.2
55.05492	11.1
57.03414	1.7
57.07062	1.2
59.04570	0.8
59.04976	1.1
60.04819	0.7
61.02896	1.7
63.86500	0.9
67.05488	7.2
68.84366	0.8
69.03398	6.8
69.07049	8.7
71.04967	41.0
71.05347	1.8
73.06532	1.9
78.18764	0.9
78.83051	0.7
79.05463	16.9
81.03387	2.1
81.07029	39.4
81.07497	1.7
83.04950	3.7
83.08572	6.4
85.02873	25.4
85.06527	5.3
91.05442	15.3
93.07007	28.6
95.04934	0.9
95.08569	23.5
97.02853	6.6
97.06512	5.0
97.10134	3.7
99.08039	10.5
105.06999	66.1
105.66263	1.0
107.08564	30.6
109.02869	3.5
109.06490	4.0
109.10125	17.3
111.08076	1.3
117.06985	5.2
118.07781	1.2
119.08531	24.4
121.06471	2.1
121.10089	16.4
123.08006	1.5
123.11653	7.7
125.05956	2.0
125.09588	32.5
127.03905	6.5
127.07478	2.0
127.11163	6.7
131.08524	13.2
133.10088	100.0
135.11655	5.4
137.09605	1.0
139.11057	1.3
143.10631	54.8
145.04926	4.8
145.10063	18.7
146.10463	1.0
147.11653	28.1
149.13232	15.4
151.11157	5.2
159.11629	14.8
161.13213	7.5
163.05939	3.3
163.11174	1.2
167.14253	26.7
169.09973	1.2
169.12166	3.6
173.09596	1.5
173.13205	1.6
191.17911	1.6
201.16324	11.6
219.17371	61.7
237.18420	12.1
305.79141	1.0
325.11417	1.2
337.15976	0.9
377.30664	0.9
451.30740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81264	0.2
55.05485	0.3
57.03415	2.0
59.04946	0.2
61.02905	1.9
67.05463	0.4
69.03391	0.5
69.07029	0.4
71.04570	0.5
71.04961	11.1
73.02879	0.6
73.83776	0.2
75.04437	0.5
81.03330	0.3
81.07047	0.3
83.04942	1.6
85.02872	13.0
87.04453	0.3
88.03979	0.2
91.03889	1.2
91.99977	0.2
93.07017	0.3
95.04921	0.6
97.02861	1.2
97.06476	0.6
99.04465	0.3
105.03360	0.3
105.07001	0.4
107.04903	0.3
109.06441	0.3
111.00779	0.5
111.04375	0.4
119.08545	0.6
121.02808	2.7
121.06451	0.5
124.53419	0.3
125.05914	0.5
127.03891	0.3
129.05431	1.4
133.02811	0.4
137.02274	0.9
137.05949	0.2
138.07031	0.3
143.06993	0.3
145.06451	0.3
145.10039	1.5
147.04395	0.4
147.06432	0.3
147.11728	0.3
153.01776	3.4
157.06454	0.3
159.11665	0.3
165.01791	1.9
167.06953	0.5
173.09602	0.5
183.02785	0.5
184.38469	0.3
185.05960	0.4
187.11153	1.0
205.12192	0.5
213.05345	1.3
215.10460	0.4
231.06441	0.5
241.04901	0.4
258.05063	1.0
287.05386	100.0
288.05753	1.0
307.27884	0.3
325.07086	0.4
449.10184	0.5
468.01505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	7.7
69.03393	1.1
73.39555	0.5
75.87112	0.4
76.09542	0.4
85.02864	1.9
97.02817	0.6
98.97549	83.9
99.06500	0.6
100.99140	0.8
102.15468	0.5
112.99082	0.5
116.98584	48.4
119.00144	1.9
124.99055	2.7
128.98578	0.9
131.00131	8.0
134.99619	13.1
143.00137	13.4
146.99606	2.5
149.01180	19.7
153.00693	0.6
153.11830	0.5
155.00127	2.8
158.99583	13.4
161.01167	20.0
164.93513	0.9
165.00627	0.9
167.02238	6.4
171.04114	1.1
173.01190	10.8
173.02736	0.9
177.00639	15.8
177.12964	0.5
179.02226	19.8
185.01134	0.7
191.02196	11.1
195.01686	1.0
197.03293	11.6
202.56413	0.5
203.02368	0.7
209.03300	0.9
221.03215	12.8
223.06570	0.8
225.06120	0.5
239.04306	100.0
240.04677	0.5
257.05338	27.3
262.05905	0.8
281.05380	1.1
307.07022	2.0
309.04871	2.6
335.06479	0.6
351.05835	1.0
395.04474	2.3
395.08868	10.6
403.11102	84.7
413.05185	10.0
413.09830	3.6
431.10764	1.1
434.41281	0.5
595.17059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62437	1.2
53.03925	3.0
55.01843	2.6
55.05492	22.9
57.03404	2.2
57.07063	20.7
61.02888	2.6
67.05476	28.5
68.99778	1.8
69.03399	18.0
69.06680	2.6
69.07043	61.7
71.04967	3.5
71.08599	7.7
73.02896	2.0
79.05484	12.0
81.03387	14.4
81.06544	3.4
81.07027	100.0
83.08588	36.6
85.02876	45.0
85.06494	9.8
85.10108	2.4
87.00793	22.2
91.05432	6.1
93.07013	38.6
95.04906	2.4
95.08572	90.2
97.02853	10.9
97.06487	3.3
97.10139	19.9
99.04429	3.0
99.08031	3.4
105.01833	15.4
105.06985	8.4
107.04903	1.5
107.08573	37.9
108.08880	1.8
109.02853	9.4
109.06497	1.9
109.10127	63.3
111.04392	2.0
111.08064	7.1
111.11662	14.2
117.06969	1.9
119.08537	5.9
121.10115	20.0
123.10934	2.0
123.11678	39.6
125.09611	2.1
125.13215	3.5
127.03879	20.6
131.08469	1.9
133.10071	5.5
135.11656	12.3
137.05956	2.7
137.13228	15.0
145.02779	1.9
145.04881	2.7
145.10098	2.4
146.07355	1.8
147.11661	3.1
149.13231	28.7
151.14746	7.0
153.01790	10.4
153.12653	1.7
159.02750	1.5
159.11621	2.6
161.13321	1.9
163.03900	2.5
163.14857	10.9
165.16318	7.4
167.06963	8.8
167.14253	3.1
169.15791	1.5
171.02794	3.2
177.16316	2.8
179.03340	1.6
179.17857	1.9
181.04901	3.6
191.17885	2.4
193.19418	2.1
219.21030	3.5
231.04732	2.7
249.05981	2.8
249.25684	3.5
267.56519	1.4
275.27267	13.4
281.28354	2.7
285.09839	7.6
293.28262	34.3
311.29340	5.8
329.30191	3.2
347.10199	3.3
385.12439	5.7
455.73929	1.5
505.31552	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1647
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.60000	0.1
50.82100	0.1
53.00276	0.1
53.03923	0.2
55.01842	0.4
55.05484	0.2
57.03419	2.4
59.04983	0.1
59.24564	0.1
61.02906	0.7
68.99770	0.4
69.03406	1.4
71.01325	0.1
71.04964	10.3
73.02879	0.3
75.04435	0.3
78.72343	0.1
81.03387	0.7
83.04947	0.4
85.02876	13.9
87.04430	0.4
91.05402	0.1
95.04919	0.1
97.02264	0.1
97.02848	1.5
99.04414	0.4
105.03342	0.2
107.04887	0.2
109.02856	0.4
111.00785	0.7
111.04427	0.4
121.02814	2.3
127.03837	0.7
128.24005	0.1
129.05435	1.6
133.02753	0.6
137.02293	0.8
145.04909	0.6
147.04356	0.5
147.06422	0.6
149.05937	0.1
153.01767	3.4
157.06430	0.4
161.05960	0.1
165.01784	1.6
166.13097	0.1
166.14432	0.1
171.04347	0.3
183.02823	0.9
185.05922	0.4
213.05414	1.1
229.04787	0.1
231.06378	0.6
241.04813	0.9
243.06442	0.1
256.88913	0.1
258.05087	1.1
259.05948	0.4
269.04297	0.1
278.79419	0.1
287.05392	100.0
288.05713	1.0
307.12738	0.1
312.58112	0.1
409.71204	0.1
449.10419	0.3
498.80029	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1644
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
56.28088	1.5
61.02903	2.1
64.76578	1.6
73.65094	1.5
76.54939	1.5
85.02890	6.6
85.73265	1.7
91.61414	1.8
93.03344	1.6
95.90305	1.8
107.04937	1.7
108.55373	1.7
117.32590	1.8
118.97721	1.5
119.04910	9.5
121.02810	34.4
145.02869	2.6
151.31328	1.6
159.04330	2.4
177.01836	2.4
179.03380	4.0
189.01784	9.9
191.03439	3.0
195.02812	12.8
203.03281	14.4
207.02896	9.0
215.03302	2.5
217.04890	7.7
219.02812	2.6
227.03406	2.2
229.04890	7.7
231.02766	2.5
243.02774	2.0
243.06688	1.6
267.06384	1.8
268.07114	2.0
271.06094	2.1
279.06424	4.1
280.07159	2.4
281.08066	2.7
283.05994	9.2
293.08066	3.9
294.05240	16.9
294.08145	2.5
295.05899	100.0
296.06735	6.5
297.07516	8.0
307.05893	45.4
308.06610	15.1
309.07422	14.5
311.66455	2.0
313.06879	6.5
317.07870	2.1
319.05664	2.3
320.06750	2.6
321.07489	43.2
322.08350	15.8
323.09064	3.8
325.06940	81.7
333.07449	8.0
335.05621	2.4
335.09085	17.8
336.06189	2.4
337.06961	46.1
337.10834	2.0
347.09030	14.1
349.06964	50.8
351.08505	20.1
355.08151	2.8
357.07526	2.6
361.06946	15.2
361.10828	3.4
363.08636	7.8
365.10123	8.1
367.08063	3.6
373.06851	6.1
375.08398	16.8
379.08041	38.9
387.08298	2.6
389.09940	7.4
391.07974	30.6
403.07990	21.0
409.09116	31.0
415.07675	3.2
421.08957	10.0
427.10150	25.2
439.10101	14.4
445.10336	9.7
457.11142	44.1
463.09937	8.3
475.11761	8.8
481.11276	30.5
499.12241	27.2
505.10883	6.8
511.12439	15.8
523.12366	13.5
529.13306	14.7
541.13171	20.8
559.14246	17.5
577.15363	21.5
595.16064	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	595.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09677	1.8
51.93338	2.0
54.80704	2.2
57.03416	3.7
61.02900	4.4
63.36544	1.9
64.48890	2.1
68.99762	2.0
69.03399	46.0
69.39222	2.0
81.03394	2.8
85.02877	15.9
95.04964	2.7
103.03913	3.6
107.04902	3.8
108.27380	2.4
109.02866	4.0
111.04374	2.8
115.50224	2.2
119.04912	8.6
119.08398	2.6
121.02802	34.0
121.06455	2.4
133.06480	2.9
135.04375	10.3
137.02293	46.6
147.04408	8.8
148.41582	2.2
151.03828	2.8
161.02287	11.3
163.03825	3.6
171.04413	2.4
177.01810	4.7
177.05344	3.8
179.03276	4.1
185.05917	2.8
187.03925	3.2
189.01791	12.7
191.03320	13.9
195.02823	13.6
201.05417	3.7
203.03346	31.5
205.04912	8.9
207.02837	17.6
213.05452	4.2
215.03299	3.3
217.04935	11.2
219.02789	13.4
219.06398	3.2
219.82579	2.1
221.04424	10.6
227.03229	2.5
229.04906	4.8
231.02818	3.4
233.04431	5.1
241.04742	3.6
242.77197	2.3
243.06670	2.3
257.04446	10.5
259.05920	2.8
268.07272	2.5
269.04401	3.1
271.06137	2.8
273.03802	3.3
279.06363	5.2
281.08026	3.5
283.05911	17.8
284.06686	2.7
285.03806	3.0
285.51331	2.1
293.08011	2.8
294.05090	11.2
295.05902	100.0
296.06711	9.4
297.07559	17.3
299.05405	9.6
301.06934	2.4
307.05908	54.2
308.06500	17.4
309.07434	14.5
310.04626	34.4
310.07953	3.8
311.05399	46.8
312.06155	8.9
313.06885	22.3
314.07880	9.0
320.06641	2.6
321.07428	44.6
322.08221	12.8
323.05472	60.7
323.09155	8.0
324.06140	24.3
325.06934	77.3
327.08505	3.6
328.05576	3.1
333.07599	9.5
335.05310	10.0
335.09000	16.6
336.06189	9.8
337.06976	73.9
338.07690	5.0
339.08636	6.7
341.06451	27.3
343.08020	17.5
345.07364	4.4
347.08990	15.9
349.06934	54.4
350.07645	2.8
351.08472	32.8
352.05646	8.8
353.06445	62.5
355.08087	12.1
359.08997	8.9
361.06909	19.5
363.08609	20.1
365.06357	27.9
365.10248	12.7
367.07944	38.3
371.07724	9.3
373.06406	5.7
374.07465	2.6
375.08447	24.0
377.06335	9.5
379.07959	51.2
383.07526	3.3
385.06552	3.7
389.09839	4.3
391.08038	52.9
393.09479	11.6
395.07446	45.0
397.09109	23.0
399.08936	2.7
401.09982	3.8
403.07886	38.6
405.09518	4.8
407.07230	5.4
409.09021	28.5
415.09232	4.4
417.09464	11.9
419.07288	13.2
421.08960	53.8
425.08392	3.5
427.10147	20.4
433.11136	34.4
437.08652	3.6
439.10034	48.6
443.09796	4.4
445.09100	18.8
451.09845	3.3
455.09222	3.9
457.11139	54.6
463.10141	16.2
473.10635	13.3
475.11029	10.9
479.09351	2.8
481.11151	25.0
487.10245	4.1
491.11472	13.5
497.10577	19.9
499.11960	24.0
505.11221	10.6
511.12134	9.2
515.11359	15.5
523.12256	28.6
529.13428	14.8
541.13263	73.5
559.14264	46.0
577.15063	25.5
595.16437	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	595.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46584	1.2
55.01851	1.4
56.80816	1.5
57.03409	3.3
57.81126	1.2
61.02905	2.1
68.87921	1.2
69.43600	1.4
69.72276	1.4
81.03384	2.1
85.02853	11.4
93.03354	1.9
107.04935	10.3
109.02859	2.5
111.04383	2.1
119.04881	10.2
121.02822	49.8
121.06460	2.1
123.04308	1.3
135.04391	2.1
137.02295	1.6
145.02811	7.7
147.04327	1.8
163.03833	5.7
165.01886	2.0
175.03799	2.4
177.01765	2.8
179.03278	1.6
179.08539	1.5
181.04906	2.3
187.03835	2.3
189.01761	7.4
191.03374	3.5
195.02837	11.5
201.05443	2.6
203.03320	18.1
205.04990	2.1
207.02817	15.3
215.03391	2.4
217.04921	7.1
219.02840	3.4
221.04308	9.2
229.04903	8.3
231.02815	2.1
233.04288	3.4
239.06978	1.5
241.04855	2.5
243.02679	2.2
251.07156	1.7
255.02811	3.1
255.06239	1.5
263.06842	2.2
267.06436	2.8
268.07227	5.4
277.95160	1.7
279.06412	6.3
281.08051	7.3
283.05872	21.2
284.06500	2.2
293.07886	3.7
294.05112	18.9
294.08084	2.0
295.05899	100.0
296.06509	9.7
297.07468	12.0
305.07990	2.9
307.05896	58.6
308.06613	21.4
309.04211	2.1
309.07471	18.9
313.06952	12.4
313.45874	1.8
317.07724	2.7
319.05801	6.5
320.06650	3.0
321.07443	51.7
321.11038	3.3
322.08243	13.9
323.05521	2.5
323.08942	6.0
325.06927	92.2
329.07950	2.1
333.07382	11.0
335.05328	3.1
335.08942	22.9
336.06018	5.9
337.02734	2.0
337.06891	55.0
346.07959	2.0
347.08963	16.8
349.06903	54.8
351.08514	22.1
355.07944	6.1
361.06885	19.1
361.10690	3.2
363.08438	8.0
365.10068	8.2
367.07913	8.0
373.06918	8.4
375.08469	16.6
379.07895	39.9
385.06482	2.1
387.08572	5.7
389.10052	3.4
391.08020	29.4
401.10046	6.4
403.07974	27.1
409.08936	31.0
415.07996	6.5
417.09515	3.0
421.08917	16.1
423.48001	2.1
427.10065	30.6
433.08871	6.6
439.10022	14.3
445.10117	8.7
457.11200	49.3
463.09836	5.5
475.11603	9.1
481.11096	40.0
483.75381	1.6
487.10352	2.8
493.11404	2.3
499.12167	24.7
505.11322	2.6
511.12180	19.5
523.12372	14.2
529.13232	16.4
541.13190	15.7
559.14246	19.7
577.15393	17.1
595.15814	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	594.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01847	1.2
55.05503	11.0
57.03407	2.1
57.07050	5.2
59.43999	0.8
61.02905	1.8
63.87311	0.8
65.03900	1.0
67.05485	15.1
69.03416	8.4
69.06723	1.3
69.07047	18.3
71.04956	5.9
72.55234	0.9
73.02896	0.9
73.06513	0.9
79.05458	18.9
81.03369	3.9
81.07027	42.4
83.04933	1.7
83.08570	4.5
85.02877	21.6
85.06505	0.9
87.04424	1.5
91.05444	21.0
93.07009	51.7
95.04929	7.2
95.08568	63.2
97.02861	8.8
97.06473	5.8
97.10128	2.4
100.82740	1.0
105.07001	62.1
107.04913	2.1
107.08559	69.6
109.02887	1.6
109.06503	9.2
109.10126	33.6
110.10439	1.1
111.08045	4.3
111.11702	1.5
117.06937	2.2
119.04902	1.1
119.08540	64.9
119.09400	2.1
121.06461	4.1
121.10096	23.3
121.42456	0.9
123.04404	1.5
123.08002	2.4
123.11683	4.0
125.05942	5.4
125.09610	1.9
127.03898	3.5
129.06960	1.1
131.08508	6.4
133.09074	2.2
133.10095	66.2
135.04408	1.1
135.08003	1.9
135.11646	39.7
137.05930	3.4
137.09575	2.4
139.07504	2.3
143.08473	4.3
145.02805	1.6
145.04916	1.8
145.10118	6.9
147.04291	1.4
147.07970	1.3
147.11652	49.0
149.13200	4.0
153.09068	1.8
157.10075	7.6
159.11621	5.3
159.95181	1.0
161.09630	7.3
161.13225	18.8
163.03851	2.0
163.14700	1.2
165.05385	1.5
165.09042	2.1
167.07036	3.7
171.11626	1.2
173.13197	9.0
175.11108	3.8
175.14738	11.0
177.05424	4.1
179.10619	13.9
181.04874	9.0
189.16325	100.0
191.17821	1.1
193.12129	2.0
199.14764	8.5
210.91245	1.1
217.15807	30.1
235.16861	39.1
253.17918	5.7
287.05362	5.6
325.17679	1.3
361.19864	1.2
379.20856	5.7
397.22049	1.3
416.14340	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
57.07040	0.8
63.70907	1.0
65.40621	0.8
67.05459	1.0
68.47513	0.8
69.07016	0.9
81.07030	0.9
108.39072	0.9
121.59612	0.9
135.56932	0.9
138.80344	1.0
183.98753	1.1
200.89679	0.9
299.39911	1.0
348.58029	0.9
403.19110	4.0
405.20709	1.5
417.20602	4.4
419.22256	1.6
431.18011	9.1
432.23862	1.1
433.23822	10.4
434.24518	1.2
445.19666	10.7
446.20929	5.2
447.21649	6.1
459.21793	4.9
460.22339	16.1
461.23126	15.3
473.23016	4.2
505.22394	5.1
533.25262	59.4
534.25983	1.4
565.28595	1.3
593.27332	100.0
594.28125	1.2
600.64532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14426	0.8
53.00290	1.0
53.03932	1.3
55.01854	2.5
55.05278	1.3
55.05500	19.0
57.03413	2.1
57.07058	13.7
59.04964	5.3
65.03925	1.1
67.05482	28.2
69.03405	10.1
69.06681	2.3
69.07043	53.1
69.62377	0.9
71.04967	14.8
71.08584	4.7
73.06486	1.4
79.05472	14.0
81.03384	7.3
81.07027	75.8
81.78726	0.9
83.04953	1.7
83.08127	1.8
83.08588	30.2
85.02864	13.8
85.06516	3.9
87.00771	8.1
89.05997	12.0
91.05419	9.5
93.07009	38.6
95.04923	4.8
95.08570	100.0
97.02852	6.6
97.06495	4.7
97.10112	9.4
99.04419	1.2
99.08019	1.3
105.01852	1.1
105.06992	18.4
107.08548	39.0
109.02803	3.8
109.06466	1.9
109.10120	36.7
111.08051	30.2
111.08822	1.3
111.11665	7.0
119.08537	15.4
121.10104	27.6
123.08006	4.5
123.11646	32.3
125.13249	1.3
127.03873	7.1
131.08469	1.7
133.10048	8.7
135.04359	4.1
135.11655	16.5
137.09554	1.3
137.13228	11.0
139.11125	2.0
145.02783	2.5
145.10013	2.3
147.08020	1.3
147.11653	10.9
149.09570	1.2
149.13223	19.6
151.11127	1.4
151.14758	2.1
153.12726	1.6
159.02858	1.2
159.11633	1.8
161.09520	2.2
161.13196	8.3
163.03831	19.2
163.14784	8.7
165.12662	2.3
165.16425	3.9
173.82256	1.2
175.14746	2.0
177.16309	7.1
189.12805	1.1
189.16362	2.1
191.17914	5.1
191.22568	1.2
203.17900	2.3
217.19537	4.5
218.79691	1.1
246.81822	1.0
261.25702	5.8
273.25610	12.8
279.26758	13.8
291.26706	45.7
297.27866	2.6
305.08206	1.0
309.27759	43.3
327.28766	8.7
329.06396	6.0
334.20663	1.2
345.09500	12.3
346.33289	1.2
392.32193	1.3
399.56976	1.0
503.30157	1.5
593.29761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04585	1.5
53.03918	3.3
54.56639	1.7
55.01848	3.7
55.05489	23.4
57.03410	3.5
57.07049	14.9
61.02909	1.8
63.88809	1.9
67.05478	36.9
69.03397	22.2
69.06690	1.9
69.07042	46.5
69.93362	1.8
71.04948	4.0
71.08595	4.4
73.02840	1.8
76.16848	1.9
79.05455	26.7
81.03387	16.7
81.07023	91.4
83.04935	3.0
83.08588	24.8
85.02877	46.3
85.10147	2.5
87.00794	24.0
91.05439	18.0
93.07000	63.0
95.04930	5.0
95.08566	100.0
97.02849	12.3
97.06477	3.6
97.10107	13.6
99.04440	10.0
99.08028	2.9
105.01842	14.9
105.06988	35.0
107.08549	44.7
107.91484	1.9
109.02841	15.1
109.06484	3.8
109.09409	3.0
109.10118	54.5
110.34263	1.8
111.08035	3.7
111.11695	3.6
117.03339	2.6
119.08539	25.7
121.10085	32.4
123.08031	4.8
123.11645	22.1
125.09591	3.2
127.03853	17.2
131.08528	3.3
133.10086	31.2
135.04417	2.7
135.11617	28.8
137.09590	4.1
137.13219	4.0
145.02798	12.9
145.04814	2.0
145.10068	3.5
147.11617	23.2
149.06012	2.5
149.13208	18.9
151.14769	3.3
159.02817	4.1
161.13181	17.1
163.03845	19.3
163.14775	8.4
165.12666	5.0
175.14621	3.8
177.05382	17.7
177.16325	3.9
179.17874	2.5
189.16357	4.5
191.17841	4.3
203.17918	3.7
217.19395	7.4
231.04861	2.3
273.25586	24.7
291.26639	17.2
309.27750	4.7
345.09503	10.9
395.27261	2.5
404.75452	2.3
501.36661	2.3
593.29016	10.5
596.14655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48167	0.2
56.26875	0.2
59.49700	0.3
64.32401	0.4
69.03419	0.5
76.49401	0.3
83.01046	0.4
83.04932	0.4
85.26281	0.3
91.05435	0.5
95.01070	1.4
95.04845	0.3
95.55753	0.3
96.01788	0.4
96.29432	0.3
97.06482	0.5
103.05421	0.3
105.07001	2.5
113.02091	1.9
119.04919	0.5
121.06516	0.3
123.08054	0.3
125.05952	0.7
133.06435	1.5
137.05984	1.2
145.10048	0.4
147.04333	1.2
150.06741	0.4
151.03897	0.3
151.07478	0.3
157.04773	0.4
163.03920	0.3
165.09114	1.6
167.07007	1.2
173.09630	0.3
179.24013	0.3
185.04153	4.0
187.11136	0.3
189.05212	1.3
193.08517	3.9
201.03612	1.2
202.05975	0.4
203.05199	11.2
211.09592	1.1
219.06203	3.2
234.08525	17.3
234.67633	0.3
235.09406	1.9
311.05402	0.7
337.07025	0.3
341.06406	0.5
381.11371	0.4
383.14453	4.1
593.21832	100.0
594.21991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2745
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.09964	0.4
56.92083	0.5
59.85750	0.6
72.67929	0.6
75.33808	0.5
91.41090	0.5
100.90028	0.5
103.19774	0.6
104.27959	0.6
135.53333	0.6
139.54799	0.7
139.87787	0.7
345.51862	0.8
357.56311	0.6
403.19040	3.4
404.19785	1.3
405.20911	1.4
411.55960	0.6
415.14484	0.7
417.20621	3.1
418.21390	1.1
419.22516	4.3
431.18005	10.3
432.19260	2.5
433.24103	6.8
434.24655	1.3
445.19913	11.1
446.20731	5.3
447.21509	6.7
459.21625	4.0
460.22473	13.9
461.23129	10.2
473.23209	3.9
491.24664	1.2
505.21600	6.0
519.24213	2.3
533.25323	33.9
564.23248	0.8
593.27435	100.0
594.27924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	0.2
55.01828	0.2
57.03386	0.1
61.02860	0.1
67.05394	0.1
68.99709	0.2
69.03403	0.9
79.05416	0.2
80.02551	0.2
81.03318	0.7
81.03773	0.1
81.06976	0.3
83.01272	0.2
85.02852	1.0
87.00731	0.2
93.06958	0.2
97.02801	0.2
99.04375	0.2
107.08613	0.1
108.05655	0.2
109.02780	0.2
119.08559	0.1
121.06419	0.2
127.03799	0.5
129.06944	0.2
132.05638	2.0
133.06427	3.3
134.07159	0.7
135.04352	2.8
135.05298	0.3
141.06897	1.4
145.02805	0.2
145.06477	0.2
153.06886	0.7
154.07767	0.1
154.99658	0.8
157.06352	0.2
159.07915	0.3
160.08702	0.2
161.05898	0.9
163.03789	0.3
169.01219	0.2
169.06401	6.7
170.01944	0.5
171.07959	0.2
172.08681	0.5
175.07481	0.1
177.05331	0.6
181.06306	0.6
182.07088	0.2
182.99135	1.1
183.02711	0.2
183.07932	0.2
184.08762	3.8
185.05891	0.9
190.06091	0.2
197.05896	5.5
198.01505	1.5
199.07434	0.6
200.08202	0.7
201.00229	2.1
201.05399	0.2
202.06052	0.2
205.04742	0.2
209.05824	0.2
210.06520	0.2
211.07472	1.2
212.08208	3.5
213.03792	0.5
213.05437	0.5
214.06232	0.2
216.02499	0.3
225.05344	2.0
227.06940	3.5
228.04210	1.1
228.07680	4.8
229.04832	0.6
230.05617	0.3
239.06888	1.3
240.07701	14.0
255.06361	0.6
256.07178	1.7
268.07169	0.2
275.23941	0.1
282.05103	0.2
283.05890	1.0
284.06659	3.8
285.07126	0.2
287.05353	2.5
300.06119	0.9
301.06940	0.3
311.05307	0.3
312.06137	34.6
313.06494	0.2
314.07922	0.2
315.04843	23.0
316.05280	0.5
329.06418	0.9
330.07187	25.6
331.01831	0.2
331.07233	0.2
343.07938	0.6
345.09534	100.0
346.09921	1.2
387.10532	0.2
389.03482	0.1
507.14514	0.6
549.16010	1.1
593.14795	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	592.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01849	0.8
55.05499	5.5
56.05020	4.3
57.03436	0.6
57.07064	1.1
60.04502	2.1
65.03937	0.5
67.05154	0.8
67.05486	14.1
68.05025	0.7
69.01974	0.5
69.03400	5.1
69.07052	3.6
71.04961	4.5
71.08592	0.7
79.05466	14.1
80.04977	4.2
81.03395	2.3
81.05765	3.7
81.07030	13.2
82.06551	5.9
83.04942	0.8
83.08588	3.2
85.02890	2.8
85.06532	2.2
87.04455	2.5
91.05450	6.3
93.07008	27.5
94.06074	0.5
94.06532	21.2
95.04932	5.1
95.08573	24.5
96.08074	4.3
97.02855	0.8
97.06493	6.2
97.10142	1.0
101.17820	0.5
105.04525	0.5
105.07003	11.9
107.07320	3.5
107.08553	0.7
109.10104	0.9
110.09644	12.8
111.08047	16.3
119.08495	0.6
121.62106	0.6
122.09628	44.6
123.08027	28.2
128.09718	1.2
128.10674	32.6
140.10664	100.0
141.09067	7.8
158.11714	9.0
245.12404	0.5
272.25748	5.6
364.31952	0.8
368.72495	0.5
376.31873	0.9
382.33066	8.1
394.33005	12.8
410.35956	0.5
412.34076	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	593.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	1.8
55.01785	1.6
56.03555	0.1
57.03345	1.0
61.02827	1.2
61.03153	0.3
64.18292	0.1
64.59211	0.1
67.05432	0.3
67.41786	0.1
68.99693	1.0
69.03326	6.0
69.03729	0.4
69.06976	0.3
71.04881	0.6
73.02802	1.2
79.05384	0.3
81.03302	8.1
81.03819	0.5
81.06963	0.3
83.01236	0.3
85.02878	8.3
85.03362	0.6
87.00798	5.0
91.03877	0.5
93.06945	0.3
95.08512	0.3
96.57720	0.1
97.02859	4.0
99.04410	2.1
105.01848	1.5
105.06905	0.2
107.04788	0.3
107.08463	0.2
109.02851	4.6
117.01782	1.3
119.08431	0.3
123.04303	0.3
127.03866	5.5
129.01685	0.7
135.04269	0.2
138.06645	0.2
145.02780	0.2
145.04927	1.1
146.03607	1.1
147.04314	0.2
148.23944	0.1
151.03741	0.8
151.07434	0.7
153.05426	4.0
159.02850	2.6
162.03052	0.2
163.03738	0.9
165.01672	0.2
165.05406	1.8
167.03322	3.3
179.03368	1.6
188.70529	0.1
191.06830	0.2
193.01251	0.2
196.49553	0.1
197.04391	0.3
208.03568	1.0
223.02359	0.2
227.06987	0.2
231.04871	0.3
241.04903	0.1
243.06432	0.2
255.06372	0.6
256.07162	0.6
257.08090	0.2
259.05902	0.2
267.08881	0.2
269.04553	0.2
270.04883	0.2
271.05862	0.7
272.06720	0.3
273.07465	0.2
283.05893	1.3
284.06757	1.3
285.07349	1.8
286.08182	0.2
287.05460	0.3
289.10529	0.2
291.19641	0.2
299.05426	0.3
300.06152	0.7
301.06970	8.7
302.07626	1.0
311.05438	0.9
312.06180	1.8
313.06924	3.5
314.07666	1.2
315.04791	1.2
316.05817	1.1
329.06436	28.3
330.07156	4.1
345.09570	100.0
346.09958	1.2
369.70892	0.2
405.10187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2588
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
51.34648	0.6
55.05495	0.8
57.07047	0.8
59.91461	0.7
95.08506	1.0
109.10075	0.9
127.73461	0.8
196.09074	0.8
222.34219	0.9
326.17947	0.9
399.16135	1.5
401.17520	1.4
405.20526	1.1
413.17075	0.9
414.18552	1.7
415.18915	7.9
416.19614	1.4
427.19275	1.5
428.20230	1.4
429.20770	9.4
430.21576	4.8
431.22253	1.9
433.24091	1.4
442.21658	1.6
443.22250	1.7
444.23013	4.6
457.24454	7.2
459.21234	6.5
461.18719	1.3
462.20303	1.0
472.22592	1.6
475.21201	4.0
485.23456	16.2
486.20227	7.5
489.22653	1.9
500.21643	1.2
503.24246	3.8
513.22626	1.9
515.24164	13.3
531.23730	15.9
559.23431	5.2
591.25793	100.0
592.25940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78572	1.0
53.03918	2.2
55.01847	4.5
55.05494	18.3
56.96561	0.8
57.03408	5.4
57.07064	9.2
59.04975	1.7
61.02911	1.0
67.05481	16.0
67.41203	0.8
68.99698	0.8
69.03407	9.8
69.06678	1.8
69.07043	45.8
71.04961	6.1
71.08604	3.7
79.05466	11.9
81.03371	8.1
81.07030	43.0
83.04940	3.3
83.08588	23.5
85.02880	13.8
85.06497	2.1
87.00816	8.2
91.05447	15.8
92.08636	2.5
93.07009	100.0
94.15585	0.8
95.04933	21.2
95.08571	44.4
97.02851	6.1
97.06496	9.1
97.10135	6.5
98.18548	1.0
98.97553	0.9
99.04388	1.4
99.08064	1.2
105.01818	1.4
105.06992	16.6
107.04940	1.6
107.07899	1.1
107.08571	26.0
109.02857	4.4
109.06480	5.7
109.10123	23.8
111.08047	12.1
111.11660	1.6
117.06946	2.1
119.08532	10.0
121.06454	2.0
121.10098	29.0
123.04383	1.3
123.08024	4.6
123.11661	13.6
125.09585	4.2
127.03886	5.0
131.08517	5.6
133.10100	9.4
135.08028	1.4
135.11676	6.9
137.09564	1.7
137.13156	1.9
139.11139	4.2
145.10104	6.1
147.11635	6.6
149.09590	2.0
149.13222	14.2
150.18362	0.8
151.11179	3.3
159.11647	7.8
161.13197	4.8
163.03813	1.1
163.11168	1.7
163.14812	2.1
165.12761	1.0
167.10521	1.0
167.14236	3.3
173.13197	1.2
175.03725	1.0
175.14799	4.2
177.12648	1.1
179.52788	1.0
185.15308	4.3
187.14908	1.3
195.17429	1.1
201.16319	1.0
203.17825	1.0
209.18932	1.2
215.17876	1.5
240.58891	0.9
245.42719	0.8
271.24045	6.1
289.25174	14.0
295.26187	5.9
307.22668	2.0
307.26199	53.6
312.60458	1.1
325.27234	22.2
343.28250	1.2
374.85522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.05497	15.6
57.03417	31.1
57.06789	2.8
57.07056	51.4
59.66533	1.3
63.59943	1.4
63.92915	1.3
66.61530	1.3
67.05479	24.7
68.02993	1.5
69.07053	12.5
69.19864	1.3
71.04929	1.7
71.08600	34.7
78.89864	1.6
79.05454	11.4
79.22971	1.4
81.03388	100.0
81.07017	28.6
83.04969	5.6
83.08586	24.7
84.55354	1.5
85.10149	17.4
89.06007	3.2
91.05443	16.6
93.06995	14.1
95.04922	24.5
95.08561	27.6
97.10149	7.2
105.06998	15.3
107.04925	8.6
107.08609	2.2
109.06459	2.7
109.10110	11.9
111.08047	8.2
119.08527	13.8
121.06392	1.7
121.10110	7.6
123.11671	2.4
129.06964	8.9
131.08578	11.3
133.06473	3.7
133.10115	3.1
142.07733	3.0
147.08063	2.5
147.11659	6.8
149.09575	3.3
157.10066	12.7
165.12747	1.5
175.11047	11.4
180.58073	1.6
193.12184	30.0
211.13246	2.5
257.24612	3.3
267.15802	80.7
313.27252	89.6
338.82999	1.6
414.93417	1.9
505.38693	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22593	1.5
53.00294	2.7
53.03916	1.8
55.01855	3.0
55.05494	15.7
57.03420	27.6
57.07059	53.8
67.05474	28.7
68.05802	2.1
69.07046	11.9
71.08604	38.1
75.68021	1.8
79.05459	17.7
81.03388	100.0
81.07027	27.1
83.04948	7.1
83.08589	28.4
83.80687	2.0
85.02876	1.5
85.10168	13.0
91.05450	21.7
92.78732	1.8
93.07024	12.0
95.04944	24.1
95.08575	26.1
97.02855	2.4
97.10136	4.2
105.06977	16.7
107.04930	7.6
107.08559	3.7
109.06463	6.2
109.10119	10.2
111.04424	3.5
111.08036	3.5
117.06947	3.0
119.08543	18.8
121.06527	2.0
121.10115	7.9
123.11656	3.1
129.06943	9.8
131.08514	7.5
133.06462	3.7
133.10085	6.8
137.13187	1.9
145.10068	2.8
147.07999	2.4
147.11691	3.8
149.09544	3.0
151.80144	1.5
153.38994	1.9
157.10075	8.8
175.11115	8.3
193.12141	23.5
223.13144	2.0
239.23627	2.1
241.19447	1.8
259.20309	2.1
267.15802	93.0
313.27246	85.2
314.27634	6.2
368.27640	1.9
395.53189	1.9
437.87411	2.0
505.38669	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.05486	3.2
57.03407	6.9
64.77216	1.5
67.05465	2.1
69.03409	10.8
71.04964	1.6
75.04443	7.1
79.05462	18.3
81.03391	8.8
81.07009	5.3
85.02874	6.8
91.05443	20.0
93.07009	100.0
94.07333	1.5
95.04943	3.0
95.08583	5.6
97.02842	7.4
105.07004	10.0
107.08569	12.1
109.02852	3.1
111.08054	2.1
118.94907	1.3
119.08542	15.4
121.10102	76.5
123.07989	2.3
131.08510	6.3
145.10123	1.8
149.09575	11.8
161.29556	1.3
167.10597	14.8
284.17795	1.4
293.13586	5.3
310.08096	1.4
311.14706	11.0
326.04642	1.6
330.43021	1.5
390.78146	1.5
480.85150	1.4
519.98700	1.3
558.63416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01843	0.7
55.05493	9.9
55.53199	0.5
57.03420	1.1
57.07053	0.9
61.02898	1.1
62.67319	0.5
67.05489	2.8
69.03396	4.5
69.07041	100.0
70.06559	0.7
71.04955	0.9
73.06530	0.6
73.18259	0.6
76.61884	0.7
79.05460	0.7
79.90055	0.5
81.03371	2.4
81.07008	1.5
83.01260	0.7
83.04933	0.8
83.08576	1.2
84.38835	0.6
85.02869	16.6
85.10680	0.5
87.04439	2.9
89.05995	80.5
91.05447	0.7
92.47739	0.7
93.07025	0.9
95.04912	0.8
95.08560	3.1
97.02846	6.2
97.06552	1.1
105.07016	2.6
107.07044	5.8
107.08575	0.9
109.02882	1.3
109.06406	0.7
109.10152	0.7
111.11685	11.2
119.04890	0.6
121.06380	0.8
121.10102	1.2
123.69782	0.6
127.03886	3.6
129.12674	1.1
133.07610	1.3
133.08557	27.1
135.04451	0.9
137.05945	0.9
145.04927	0.8
147.04340	0.8
147.11528	0.9
151.09615	1.0
162.66647	0.7
163.03850	2.6
167.07088	0.9
177.11156	8.1
183.38231	0.7
217.17906	6.0
221.13747	1.0
231.10248	0.7
239.14925	0.9
261.20471	2.8
283.17429	9.0
348.50522	0.7
357.71677	0.7
367.26791	1.0
384.30225	0.8
393.28192	4.2
411.29373	85.4
412.29572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81323	13.6
55.05513	20.8
57.03437	21.2
57.07050	83.0
67.05482	65.9
67.42683	12.8
69.07041	21.2
71.08635	24.7
73.91114	13.2
79.05469	34.3
81.07003	31.7
91.05456	100.0
93.07002	60.9
95.08566	81.7
105.07014	79.8
107.08575	28.7
108.87608	16.4
114.36284	15.3
117.06936	20.1
119.08547	37.2
121.10108	18.7
133.10097	29.7
135.11739	28.2
145.10048	24.2
147.11630	17.4
156.60942	14.3
161.13164	21.0
241.19528	15.0
259.20511	77.0
313.27274	81.5
323.30020	15.7
333.24112	28.9
406.57040	16.1
537.46649	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	590.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.6
55.01854	1.0
55.05503	0.5
56.01602	0.6
56.41795	0.5
60.48874	0.5
65.03914	5.7
67.05470	3.1
69.03388	2.7
71.85664	0.5
79.05470	2.3
81.06995	1.0
82.04137	0.9
84.54461	0.6
85.02854	3.1
86.32092	0.6
87.04433	1.0
91.05443	6.4
91.74577	0.5
93.03350	2.9
93.06997	7.1
95.04922	1.5
96.88939	0.6
97.02856	1.0
103.05423	1.1
105.03403	0.8
105.07013	1.0
107.04938	5.9
107.08501	0.6
109.10156	0.8
110.03623	7.1
111.04402	9.9
115.03884	0.7
115.05431	0.7
119.04904	9.1
119.08537	1.0
121.02829	10.3
121.06472	1.2
121.10114	5.8
123.04340	1.2
125.05932	8.6
127.11140	0.9
128.06125	0.6
129.06973	1.5
131.04871	3.7
133.02812	1.5
133.06432	0.8
137.05928	8.2
138.03015	1.0
141.06902	0.7
145.06435	4.1
147.04366	10.7
148.05098	0.9
149.02196	0.8
149.05986	0.7
151.07512	1.3
153.05431	16.0
153.06680	1.3
155.08469	0.9
157.06444	1.3
161.05925	3.5
162.91815	0.6
165.05562	0.9
165.06932	6.1
166.07837	0.7
167.06999	7.5
167.08339	1.3
169.06384	0.7
170.07150	0.7
173.05908	1.2
174.06650	1.2
175.07419	0.9
177.05444	0.8
177.06934	0.9
178.07715	3.8
179.06920	2.4
179.08421	1.2
181.06429	3.1
182.07228	2.6
183.07959	6.8
183.70052	0.6
187.07495	0.7
193.06390	3.0
193.10063	1.4
195.07976	2.8
196.08791	3.6
197.05881	4.2
198.06712	4.2
198.58073	0.6
199.07475	1.2
199.12271	0.6
203.08571	1.3
205.06502	1.1
206.07159	2.4
207.07965	2.4
209.05890	1.0
210.06711	3.8
211.07475	16.8
211.11026	2.5
212.08278	0.8
213.05267	0.7
213.08905	0.8
221.05904	0.8
221.07736	0.8
221.09595	3.1
223.07407	4.6
224.04688	0.9
224.08270	3.9
225.05450	1.3
225.09023	1.3
226.06177	11.4
227.06873	1.4
234.06711	0.7
235.07468	1.0
235.09621	2.5
237.09033	1.3
238.06137	3.0
239.06938	41.8
239.10533	12.5
240.07610	3.8
241.04793	1.3
241.08463	3.5
243.06569	0.8
249.09087	1.3
252.07794	3.1
253.04887	0.8
253.08510	3.1
254.05713	1.4
255.06464	5.5
256.07172	2.4
257.11600	2.5
267.06464	5.9
267.09924	8.0
268.07135	0.9
269.07935	3.7
270.08713	3.3
271.09613	3.2
275.69577	0.7
280.07486	0.6
281.08032	1.0
283.09668	1.2
284.06772	0.8
284.10294	1.4
285.11081	15.2
295.09473	5.3
296.10379	1.2
297.11093	1.1
299.09033	7.6
299.12555	2.7
313.10574	54.4
314.11163	1.4
317.13715	1.2
325.10721	1.0
327.12180	2.9
345.13205	100.0
346.13464	1.1
347.15067	1.9
357.13177	7.6
375.14188	6.6
475.18658	0.7
545.93970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84066	3.7
55.01860	4.7
55.05497	27.1
57.03418	18.0
57.07064	45.9
64.75470	4.9
67.05495	33.4
69.07059	17.7
70.70254	5.0
71.01307	4.4
71.04964	5.5
71.08597	30.0
79.05460	24.1
81.03394	32.3
81.07039	35.2
83.01318	5.2
83.04972	17.9
83.08591	7.6
85.06480	5.2
85.10162	11.3
89.93640	4.9
91.05476	7.7
93.07020	23.1
95.08559	35.5
97.02864	7.9
97.10079	6.6
105.07014	10.4
107.04921	11.0
107.08585	9.4
109.06407	6.1
109.10118	18.0
111.04387	35.7
113.05893	4.4
117.06996	9.3
119.08577	5.8
121.06487	8.2
121.10087	7.1
125.05950	5.2
125.58123	5.6
135.11656	20.2
145.10117	22.3
152.41838	5.6
153.12726	8.2
163.11089	34.7
167.39130	5.4
173.09477	6.7
175.93568	5.3
223.13264	22.4
241.14310	34.6
265.14227	9.1
283.15277	8.4
313.27267	100.0
315.17871	34.2
507.74646	4.9
521.38269	52.8
553.40851	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.3
56.96539	0.2
57.03413	0.2
63.39968	0.2
67.05473	0.3
68.90897	0.1
69.03392	0.3
69.07032	0.3
70.39006	0.1
78.04675	1.1
79.05472	1.4
79.05852	0.2
81.03394	0.4
81.07034	1.7
83.04963	0.3
84.08056	0.2
85.02865	0.4
90.96813	0.2
91.05447	1.6
93.03352	0.2
93.07010	1.3
95.04916	0.9
95.08568	0.3
96.05698	0.3
97.06509	0.6
103.05418	0.3
105.07026	1.5
106.04140	1.0
107.04928	1.6
107.08563	0.4
109.02847	0.2
109.06497	0.3
109.10101	0.2
111.04408	0.3
115.05424	0.4
118.58548	0.2
119.04961	0.2
119.08530	0.8
121.06461	1.1
121.10094	0.8
123.04379	3.8
123.11652	0.3
124.05193	1.5
127.03957	0.3
129.06966	2.2
131.04872	0.4
131.08528	2.5
133.06415	0.7
135.04399	0.3
137.05930	2.1
137.09534	0.2
139.03899	0.2
141.06917	1.7
143.08476	0.2
145.10019	0.3
147.11656	0.9
149.05913	1.4
151.03833	0.8
151.07491	1.7
152.04634	1.2
157.06415	1.9
158.07175	0.8
159.07976	1.9
160.05122	0.2
161.05922	1.0
161.09557	0.4
163.03835	1.6
163.07477	0.7
165.07001	0.2
165.09023	0.3
165.12802	0.2
166.06111	0.2
167.06979	100.0
168.07326	0.9
169.06416	0.8
170.07144	0.3
174.06683	4.0
175.07480	1.0
177.05415	0.3
181.08493	1.0
186.06706	0.9
188.08177	0.2
189.09048	7.7
191.10626	0.4
193.08513	2.5
193.10036	0.3
195.08014	0.3
201.09021	2.4
211.09612	4.8
219.10091	16.2
227.10614	0.4
229.14232	0.3
253.08577	0.3
253.12172	0.2
285.11011	0.3
331.15320	1.7
355.17233	0.2
482.68280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.5
55.01857	2.1
57.03415	0.7
58.94922	0.4
67.05480	0.6
67.58533	0.4
70.06857	0.4
74.71498	0.4
75.04427	0.5
79.05447	6.6
85.02881	2.7
91.05449	9.4
92.08790	0.7
93.06997	1.0
95.04925	1.8
97.06494	0.6
103.05443	8.7
104.06227	0.5
105.03367	0.6
105.06989	31.4
107.04923	4.8
108.05694	0.6
109.06493	2.6
115.05422	1.7
116.31588	0.5
117.06993	0.6
118.04114	8.8
119.04899	8.4
120.05684	1.0
121.06452	3.5
122.03640	0.7
122.07237	1.7
123.04425	0.9
123.08024	2.7
124.05164	2.7
125.05930	0.4
131.00247	0.4
131.04881	9.6
131.68491	0.4
132.05679	0.8
133.02798	9.0
133.06442	34.8
134.07220	2.2
135.04353	3.2
135.08009	6.4
137.05931	17.3
139.07509	0.5
146.03571	2.1
147.04350	7.6
148.05151	2.2
149.05928	6.2
150.06711	22.3
150.07919	0.8
151.07483	9.1
152.08275	0.7
161.05910	5.2
162.06725	0.7
163.03810	0.6
163.07468	10.2
165.05405	1.9
165.09041	23.5
167.06966	15.5
167.08408	0.5
175.07503	0.5
178.06070	3.2
179.06953	6.5
181.08487	1.7
193.08531	95.1
195.10153	0.6
211.09575	100.0
213.11095	1.7
341.13474	0.6
361.16190	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	588.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84119	0.7
55.01847	1.9
55.73851	0.8
57.03397	1.3
57.85754	0.7
58.17065	0.7
58.42509	0.7
60.15687	0.7
71.33602	0.8
75.04430	0.8
79.05453	5.7
81.03392	1.7
85.02891	1.3
91.05440	10.3
93.07011	1.0
95.04941	1.1
103.05457	8.4
105.06993	35.8
105.87196	0.8
107.04942	12.1
109.06477	1.6
111.72197	0.9
115.05414	3.4
118.04104	8.9
119.04897	9.9
120.05718	1.7
121.06451	4.5
122.07294	1.1
123.04408	1.1
123.08013	3.4
124.05139	1.8
131.04872	8.1
133.02792	2.0
133.06442	33.6
135.04373	3.6
135.07996	10.2
137.05927	16.1
146.03613	1.6
147.04375	12.2
148.05122	1.4
149.05951	5.4
150.06682	20.7
151.07474	8.6
152.08325	0.9
157.49397	0.9
161.05910	6.8
163.07481	11.4
165.09055	26.6
167.06975	33.4
178.06183	1.6
179.07001	6.6
179.10594	1.0
179.59804	0.8
181.08548	3.5
181.22244	0.9
193.08537	94.3
195.10114	3.8
207.10098	1.0
211.09578	100.0
227.86273	0.8
230.43515	0.9
253.10710	1.1
305.06619	0.9
341.13907	1.3
420.10577	0.9
536.58063	1.1
550.70313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01839	3.3
57.03411	2.6
57.25747	1.1
60.50079	1.3
61.02899	2.1
69.03390	10.2
79.05466	9.6
81.03367	5.7
81.07030	2.0
85.02864	22.8
91.05438	15.9
93.06991	3.2
95.04915	3.4
97.02838	7.4
103.05412	20.8
105.06983	17.7
106.04126	2.1
107.04920	47.7
109.02832	3.0
109.06444	1.5
115.05405	5.2
117.06837	1.4
118.04160	1.5
118.49832	1.4
119.04890	11.2
119.08549	1.6
121.06462	15.4
122.03623	2.1
123.04308	2.5
125.05864	1.4
127.03867	7.4
129.06946	8.4
131.04877	20.8
131.08450	2.3
132.05652	2.5
133.02773	1.5
133.06450	25.2
134.03598	1.8
135.04402	1.9
135.07979	10.2
136.05159	2.5
137.05920	35.5
139.47134	1.4
145.04849	1.8
145.06403	2.2
146.07181	2.4
147.04311	2.6
147.07922	1.4
148.05121	6.5
149.05942	20.2
151.07487	9.1
157.06438	7.4
159.08035	1.5
160.05092	1.7
161.05913	100.0
161.09529	24.2
163.03876	6.5
163.07471	51.4
165.05392	8.4
165.09010	5.7
166.06137	1.6
167.06976	54.3
167.76689	1.4
173.05875	2.2
174.06731	6.3
175.07454	9.7
177.05370	12.0
179.06995	11.5
180.07741	25.6
181.08522	25.7
189.09036	62.1
191.06947	15.4
192.07738	3.0
193.08461	11.0
194.05534	1.4
203.07048	1.5
207.06381	3.1
207.10066	48.0
209.07990	14.7
221.07849	2.4
225.09161	1.5
231.10056	1.5
233.07944	2.0
253.08482	2.3
257.11484	2.5
259.95679	1.5
271.09323	1.9
285.10959	1.9
291.12244	5.3
313.44202	1.5
317.13776	4.8
335.42896	1.5
341.12347	7.3
343.15417	2.4
359.57620	1.7
361.16318	67.7
373.16074	3.0
569.59888	1.5
570.12750	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
55.05506	0.6
57.03405	0.9
67.05467	0.8
69.03387	1.4
78.04700	0.6
79.05449	3.3
80.77682	0.7
85.02882	5.3
87.00816	0.9
88.72553	0.7
91.05445	12.5
93.03336	0.9
93.07001	4.6
95.04915	1.7
97.02859	1.0
97.87685	0.7
99.04384	1.2
103.05426	8.0
105.06982	6.6
106.04137	7.1
107.04915	15.9
107.08566	1.3
109.06487	1.0
109.10116	0.7
111.04392	1.1
115.05415	3.0
117.06982	0.8
118.04137	0.7
119.04890	4.6
121.06461	11.8
121.10094	1.0
123.04400	1.4
125.05952	0.9
127.03835	1.1
128.06180	1.2
129.06926	7.3
131.04880	8.5
131.08504	2.5
132.05646	4.1
133.06442	5.1
133.10104	1.3
134.03583	1.6
135.04347	0.9
135.08002	5.1
137.05945	6.3
137.09529	1.3
145.06422	1.4
146.07227	3.5
147.04289	1.0
147.07957	1.1
148.05188	5.6
149.05917	12.4
149.09605	0.9
151.07455	3.3
153.05441	0.9
153.09027	2.8
157.06401	1.7
160.05174	1.2
161.05919	100.0
161.09546	22.3
163.03857	1.6
163.07489	20.2
163.11166	1.2
165.09038	1.0
166.06161	1.4
167.06984	24.8
169.08524	1.3
174.06721	5.3
175.07448	7.6
177.05394	7.5
177.09004	2.8
179.06975	1.3
180.07748	4.5
181.08524	14.1
189.09056	49.4
191.06992	9.3
192.07724	5.2
193.08598	1.7
207.10106	50.7
209.07997	8.4
219.10179	1.7
225.09007	1.0
252.02039	0.8
253.08553	0.9
257.11505	0.8
283.12982	1.0
285.11035	2.8
315.12097	1.2
317.13559	1.7
341.13614	4.1
343.15305	3.7
361.16345	34.5
373.16293	4.2
570.12366	3.6
588.13617	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	587.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.80613	0.4
55.01842	0.7
55.05488	2.0
66.34597	0.4
67.05476	3.4
69.03407	1.7
69.07041	2.0
71.04967	0.6
79.05461	2.4
81.03390	3.3
81.07026	10.4
82.77088	0.4
85.02870	2.0
85.36523	0.4
91.05444	4.5
92.09314	0.6
93.07013	3.4
94.54720	0.4
95.04932	2.0
95.08577	7.3
97.02846	2.6
97.06506	0.7
99.04422	0.7
100.26292	0.4
105.06985	2.7
107.04918	100.0
107.08527	3.4
108.05228	0.4
109.02848	2.7
109.06474	0.8
109.10121	3.7
119.04892	2.0
119.08507	1.7
121.02901	0.5
121.06462	2.8
121.10110	0.7
123.04395	0.5
123.11674	6.8
125.09554	0.9
127.03855	0.5
129.06940	0.7
131.04880	0.9
131.08543	0.7
133.06438	0.8
133.10083	1.0
135.04376	3.5
135.11647	0.5
137.05933	2.8
144.88280	0.4
145.06447	0.9
145.10100	0.5
147.04370	7.6
149.05937	1.8
151.03935	0.5
151.11125	2.8
157.06471	0.6
159.04350	1.9
159.08018	1.1
161.05952	1.0
163.03851	12.4
165.05373	0.6
169.12140	0.7
171.07947	0.6
173.05919	1.7
175.03845	92.3
177.05368	0.6
183.08076	0.4
187.03862	1.7
187.07422	2.0
189.05460	0.6
193.04886	4.5
195.08006	1.0
197.06032	0.6
201.05444	0.9
203.06938	0.5
205.04895	3.0
215.06921	5.2
223.07480	2.4
223.86414	0.4
225.05165	0.5
229.83813	0.4
239.06911	0.9
241.08488	5.7
251.06932	7.7
253.08475	0.6
255.10245	0.6
257.07938	2.7
265.08588	4.1
267.06400	1.9
269.07983	50.8
281.07986	2.2
283.09586	0.8
291.10071	0.5
293.08014	2.1
296.06870	0.5
299.09058	2.7
307.09485	0.9
309.11133	4.3
311.09021	0.8
333.11145	2.2
335.08936	0.7
349.10721	0.9
359.08994	0.7
365.10065	0.5
377.10049	1.8
379.18918	0.6
389.17142	1.9
407.18311	6.2
425.19415	9.4
431.18311	1.9
449.19232	0.9
467.20236	0.5
515.20288	2.8
533.21484	10.8
551.22607	10.6
569.15002	0.7
569.23627	22.1
587.30066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	23.7
57.07056	12.2
58.87074	0.8
66.07408	0.9
67.05482	44.2
69.07042	45.4
71.04964	1.7
71.08604	5.3
72.51403	0.9
79.05461	8.3
81.07025	67.9
83.04946	1.9
83.08589	30.8
85.06535	1.0
85.10176	0.9
91.05440	11.4
93.07016	13.7
95.08569	100.0
97.06482	3.7
97.10127	24.1
97.66560	0.9
105.07008	8.1
107.08559	10.0
109.10123	44.2
111.11687	12.4
119.08544	14.1
121.10101	8.7
123.10796	1.5
123.11661	18.0
125.13257	3.5
133.10083	11.7
135.11665	5.8
137.09558	4.3
137.13217	13.7
147.11595	7.8
149.13245	3.3
151.11154	1.3
151.14767	5.0
161.13179	5.0
163.05833	0.8
165.12697	2.0
175.14777	3.7
179.14285	1.4
193.19426	19.2
211.20500	45.0
217.19470	6.6
221.22615	4.5
235.20477	9.2
239.23607	12.9
245.22475	6.1
253.21535	10.3
253.23878	1.1
263.23544	7.0
271.22513	11.3
281.24649	1.5
291.18729	0.9
388.94055	0.9
449.10437	0.9
582.61578	1.0
587.38892	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	586.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
54.31710	0.7
55.01855	5.9
55.05474	1.0
56.68493	0.9
57.03426	1.6
61.02923	0.9
65.03915	2.1
65.97739	0.8
67.05478	4.4
69.03394	4.8
69.07073	1.1
71.04964	1.6
75.04444	5.6
78.04678	1.6
79.05448	6.1
81.03387	6.2
81.07027	6.0
85.02870	10.9
85.06496	1.1
85.33968	0.9
89.03876	2.1
89.06032	1.3
91.05450	23.8
93.03371	22.6
93.07002	18.5
95.04939	10.5
95.08575	2.3
97.02845	2.4
97.06493	6.7
99.04425	1.1
103.05426	12.2
105.04500	1.3
105.07007	15.7
106.04146	57.1
107.04930	5.6
107.08563	7.5
109.02825	4.5
109.06482	4.9
109.10148	1.7
113.80915	0.9
117.03283	1.2
117.06934	1.4
119.04889	5.0
119.08528	1.2
121.06471	60.9
121.10105	7.6
122.07262	1.1
123.04375	2.4
123.08035	5.2
124.05195	1.3
125.05926	16.6
127.03857	2.2
131.04898	4.3
133.02789	7.4
133.06476	11.4
134.03590	7.0
135.04410	1.6
135.08028	1.2
135.11641	2.3
137.05913	12.7
137.09547	2.2
138.06734	1.3
139.07509	5.3
145.02797	4.1
145.10109	6.4
147.04385	5.6
148.05125	4.9
149.05936	90.4
149.09604	1.3
151.07491	8.2
153.05435	4.0
153.09053	19.9
161.05934	9.9
161.09616	1.8
163.07521	6.7
163.11090	10.4
165.05405	1.8
165.09100	4.2
166.06175	1.7
167.07014	1.5
167.10622	2.4
169.08528	12.1
177.05402	30.0
179.06944	2.1
181.08533	35.1
181.12169	3.9
191.06967	15.4
191.10655	1.9
193.08548	6.8
209.08025	100.0
209.11452	4.0
227.12628	9.9
353.15707	4.1
353.23050	3.6
366.00714	1.2
371.16837	2.2
389.17819	1.3
468.08167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04290	1.5
55.05481	3.3
57.06791	2.2
57.07057	53.8
57.07338	2.0
67.05467	1.2
69.07042	2.7
71.08607	30.2
73.06528	10.9
73.14874	1.1
81.07011	1.7
83.08603	1.4
85.10154	20.6
87.04426	5.9
89.05997	100.0
91.05491	1.7
93.85260	1.2
95.08553	1.7
97.06487	1.3
106.28839	1.2
107.07027	5.1
115.56631	1.5
117.09114	4.6
119.08496	1.4
130.33272	1.2
131.06995	2.0
132.11717	1.2
133.08551	32.7
155.17924	2.7
177.11124	16.5
199.20471	5.6
221.13695	2.0
243.23174	9.9
287.25674	8.3
415.25241	6.1
569.42596	13.0
586.44836	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75908	0.5
61.23547	0.7
67.05463	2.4
67.08891	0.6
69.03417	1.2
70.06544	0.7
74.53992	0.6
79.05466	1.5
81.07020	0.8
83.03729	0.6
85.02863	0.9
91.05462	0.7
95.04958	1.2
97.97485	0.7
103.05434	0.7
105.07027	1.1
107.04952	4.6
109.10123	7.5
110.10453	1.2
119.08541	1.5
133.10109	2.8
137.05917	0.9
137.09552	9.8
138.09891	1.0
143.08533	1.1
147.07999	3.4
149.32542	0.6
161.09564	16.8
162.09917	3.8
165.09055	12.5
166.09442	0.9
179.10567	0.7
189.09059	1.3
207.10164	6.5
207.11815	0.7
208.10529	1.0
210.63701	0.7
225.11191	1.5
226.11417	1.1
267.04236	0.7
305.04370	0.9
317.04105	0.7
325.60513	0.7
333.06342	0.7
371.04443	0.8
377.06149	3.2
389.17807	1.1
401.06204	2.7
419.07379	1.1
431.07455	0.9
437.08469	4.4
449.08789	1.0
467.09396	3.5
479.09390	4.0
497.10419	9.2
509.10574	4.6
527.11395	1.6
533.10327	0.9
551.10992	5.3
569.12457	32.0
587.13513	100.0
588.13757	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.8
55.01854	4.6
60.05621	0.4
61.02900	0.6
65.03902	3.6
67.05466	1.0
75.04444	7.5
78.04673	3.5
79.05437	3.5
81.06992	1.0
85.02887	6.6
89.03872	1.3
89.05982	2.2
90.93255	0.5
91.05441	25.5
92.06207	0.6
93.03374	18.3
93.07007	11.8
95.04934	8.9
97.06510	4.6
103.05447	11.1
105.04465	0.9
105.06963	3.3
106.04137	56.7
106.73206	0.5
107.04917	0.8
107.10689	0.5
108.05692	0.6
109.06480	2.8
111.04395	2.0
117.03306	2.2
118.04126	0.7
119.04885	6.4
121.06461	62.4
122.07269	0.7
123.04398	2.5
123.08058	1.9
124.05183	1.2
125.05945	15.4
126.87109	0.6
127.48013	0.5
131.04892	4.0
131.05821	0.5
133.02766	0.7
133.06442	4.2
134.03568	9.6
134.46214	0.6
135.04344	2.2
135.08054	0.8
137.05940	14.7
138.06699	3.7
139.07446	6.1
145.02814	3.0
147.04378	6.0
148.05173	4.8
149.05934	82.6
151.03825	0.8
151.07503	5.4
152.08276	1.3
153.05409	3.8
153.09059	22.5
161.05888	4.2
163.03758	0.9
163.07487	5.3
165.05380	0.6
166.06195	3.0
167.06972	2.7
176.04861	0.8
177.05403	33.9
179.06952	4.4
180.07674	0.8
181.08521	28.0
191.06958	2.6
193.08577	2.9
209.08022	100.0
217.08557	0.9
275.52127	0.6
293.11505	0.6
339.12115	2.4
353.13855	1.0
357.13190	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80137	3.0
53.00249	2.5
54.67457	2.9
55.05497	28.8
57.03410	7.4
57.07055	6.8
60.33216	2.8
66.67803	2.9
67.05479	61.6
69.07056	39.5
71.04964	3.3
79.05460	53.3
81.07024	94.6
83.08577	15.1
89.05980	5.1
91.05454	30.8
93.06994	54.9
95.08571	75.1
96.90567	3.4
97.06494	6.2
97.10149	4.4
103.02654	3.7
105.06978	38.3
107.08545	38.9
109.10111	26.0
117.06978	12.8
119.08533	40.7
121.10104	35.8
123.11671	5.4
129.06960	5.9
131.08522	31.3
133.08499	5.8
133.10100	30.9
135.11636	17.7
143.08492	6.1
145.10089	32.4
147.11671	22.9
149.13228	7.3
157.10028	6.8
159.11629	20.8
161.13167	8.0
162.80205	3.5
169.10027	5.9
171.11646	6.6
173.13213	19.0
175.14743	7.0
185.13120	6.5
187.14766	3.9
189.16270	4.0
199.14774	6.0
229.15916	3.4
335.25540	5.9
413.78415	3.7
422.15521	3.7
493.40216	5.6
567.43982	15.5
585.44983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57470	0.8
51.39496	0.7
55.05490	3.6
55.22709	0.7
55.81808	0.7
67.05482	7.0
69.07044	0.8
74.01686	0.8
76.77398	0.8
79.05470	3.3
81.07029	4.7
88.23684	0.8
90.23968	0.8
91.05441	1.5
93.07016	3.4
93.76702	0.8
95.08019	0.8
95.08549	6.7
105.07000	1.8
107.08574	1.3
109.10102	1.6
110.58307	0.8
112.64123	0.8
119.08572	1.6
121.10101	1.3
132.24312	1.0
133.10097	1.3
145.10063	1.3
217.26424	0.9
238.53738	1.1
251.12541	6.0
307.14938	1.2
335.26035	1.4
339.51437	0.9
397.01230	0.9
430.16644	1.1
554.71753	0.9
585.37378	100.0
586.37488	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39164	1.7
54.81147	1.8
55.05490	3.0
56.60047	1.8
57.07055	3.8
67.05486	3.1
78.20548	2.0
79.05471	2.1
81.07012	3.7
81.94786	2.3
92.08688	3.5
93.07021	4.0
95.08558	2.7
105.06972	4.0
109.30171	2.3
114.35239	2.3
114.37938	2.3
117.07067	2.6
136.24875	2.5
200.26651	2.7
231.55014	2.5
350.57614	2.4
429.37021	2.9
585.28467	4.3
585.37384	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.45
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79750	2.8
52.68486	2.9
55.05492	27.3
56.44763	2.9
57.03412	14.0
57.07062	5.9
58.01868	3.0
67.05485	70.6
69.07031	30.2
69.13054	3.0
79.05455	50.8
81.07020	77.5
83.08599	19.3
85.06500	4.4
89.06011	4.7
89.91007	3.6
91.05431	31.3
92.08680	9.4
93.07012	48.9
94.66545	3.2
95.04980	4.1
95.08559	50.4
105.07000	36.6
107.08556	39.9
109.10128	26.7
117.06986	15.9
119.08535	37.3
121.10083	26.4
123.11647	7.4
129.06990	8.3
131.08513	33.3
133.10068	28.3
135.11662	17.8
143.08499	13.5
145.10049	29.3
147.11673	22.2
149.13245	7.9
157.10098	5.5
159.11644	22.3
161.13248	8.0
169.10175	4.3
173.13268	7.4
185.13330	4.9
187.14838	12.6
213.16443	4.8
217.61061	3.3
223.14841	3.7
259.20374	3.7
261.22079	4.6
275.23398	3.9
335.25641	8.5
337.27307	4.1
345.94650	3.6
371.23938	4.2
383.20627	3.4
408.05090	3.7
426.48422	3.6
459.73523	4.0
493.40286	4.6
528.89844	4.0
567.43732	5.4
585.35968	3.8
585.44897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
55.01854	1.3
55.05488	3.8
57.03401	1.5
62.62505	0.8
67.05470	5.4
68.98080	0.8
69.03396	6.3
69.07062	1.1
71.04959	1.5
72.81586	0.7
73.02840	1.0
79.05453	12.9
79.50058	0.9
81.03378	7.7
81.07007	6.0
85.02866	4.0
86.09666	0.8
87.84881	0.8
90.96394	0.8
91.05452	10.1
93.06429	1.3
93.07003	37.0
93.44477	0.9
95.04926	5.7
95.08570	4.5
95.74493	0.8
97.02854	3.8
97.06509	3.0
105.06982	7.6
107.04919	100.0
107.08569	7.5
109.02805	1.6
109.06499	1.2
109.10100	6.3
114.32465	0.7
119.04887	2.1
119.08547	7.0
121.06455	4.8
121.10102	29.1
123.04362	3.6
123.08047	1.6
125.51569	0.9
127.03865	7.4
131.04872	1.4
131.08519	4.2
133.06465	6.6
135.04337	1.3
137.09604	1.1
139.03847	26.2
143.08482	1.6
145.10097	1.2
149.05891	1.3
149.09537	7.5
151.03918	6.4
153.01843	3.3
157.06451	1.6
157.10101	1.1
159.08012	8.4
161.05899	5.9
163.03838	16.5
163.51740	0.8
165.01822	1.3
165.05426	1.0
169.04936	9.0
171.07954	3.8
173.05957	1.8
177.05392	6.7
179.06972	4.7
181.04918	16.9
183.07996	1.4
185.09570	1.4
191.03343	5.4
193.04898	4.9
195.06366	0.9
195.08069	1.6
197.09489	1.0
199.11096	1.9
201.05380	1.8
201.08983	3.7
203.07005	1.4
205.04924	4.7
227.06955	1.9
227.14238	3.8
229.04793	1.2
241.08443	1.4
247.06021	1.4
247.13188	1.3
251.14130	2.1
255.13683	1.4
263.10620	0.9
269.07928	3.6
269.15286	1.5
275.09088	8.0
275.12637	6.9
287.09073	6.2
290.85605	1.0
297.14841	1.5
311.09344	1.3
377.10138	1.8
423.17847	1.0
531.19598	1.3
549.20642	1.1
585.28552	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	584.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	7.4
57.07056	9.1
61.31593	4.0
62.30340	3.6
67.05480	24.8
69.03413	4.7
69.07037	20.1
70.32749	3.9
79.05468	20.7
81.07027	30.7
82.63170	4.3
83.08582	6.8
85.06497	4.1
89.06004	21.8
91.05442	48.5
93.06998	55.1
95.04930	6.8
95.08584	32.4
97.06509	5.2
105.06995	73.4
107.08568	51.0
109.06490	7.3
109.10114	14.7
111.08096	4.7
115.05342	4.4
117.06990	25.8
119.08531	92.6
120.09303	5.5
121.10094	26.8
123.08047	4.8
128.06242	5.8
129.06964	23.3
130.07758	6.3
131.08527	43.7
133.08577	6.8
133.10059	33.5
135.08028	16.3
135.11604	8.9
137.09567	5.4
141.06941	8.1
142.07758	17.8
143.08542	41.8
143.51945	4.0
144.09312	8.6
145.10065	58.9
147.08011	17.8
147.11652	17.3
151.07478	6.1
154.07742	4.2
155.08542	20.6
156.09294	26.1
157.10104	57.9
159.11636	43.0
161.09502	8.8
163.11157	6.5
165.09084	22.1
167.08565	5.5
168.09373	5.9
169.10095	20.9
170.10849	8.7
171.11627	27.7
172.12401	5.1
173.13220	26.8
179.08501	5.8
180.09264	5.5
181.10004	17.5
182.10834	7.8
183.11650	18.3
185.13213	15.8
187.11087	4.9
187.14752	6.2
193.10013	12.8
195.11649	14.9
196.12599	7.2
197.13225	8.1
201.12656	5.5
203.14273	8.3
207.11690	6.0
209.13214	16.2
211.14687	6.3
213.52505	4.8
221.13203	7.9
221.15338	31.2
223.14725	7.8
243.19730	4.5
247.16963	5.6
248.67557	4.2
267.17148	4.2
279.23224	4.1
279.64084	4.8
312.63910	4.8
337.21097	5.6
352.19879	5.8
352.23822	52.0
365.24695	6.1
371.22577	6.0
412.29489	8.1
504.35736	100.0
584.55389	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	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76605	1.5
55.05489	10.0
57.07051	11.3
67.05475	18.3
69.03392	3.3
69.07043	11.8
79.05463	20.5
81.07018	24.6
81.07336	1.5
83.04967	2.9
85.06528	4.6
89.05988	14.4
91.05441	31.9
93.07005	45.8
95.04936	9.5
95.08567	27.7
103.05443	2.1
105.06995	66.5
107.08564	41.4
109.06477	10.0
109.10100	14.6
117.06990	22.0
119.08529	81.9
120.09314	3.6
121.06429	4.9
121.10079	24.7
123.08039	8.9
123.11694	2.6
128.06177	8.6
129.06944	15.2
130.07747	3.9
131.08517	37.5
132.09262	2.0
133.08557	3.7
133.10071	32.6
135.08031	9.4
135.11658	11.0
137.09602	4.8
141.06900	3.5
142.07709	19.1
143.08496	34.4
144.09291	11.2
145.10074	57.7
145.11108	3.6
146.10747	2.5
147.07991	16.9
147.11665	16.8
149.09598	3.9
149.13168	1.9
151.07520	3.3
155.08513	19.8
156.09325	20.3
157.10077	53.4
158.10858	8.3
159.08012	3.4
159.11636	30.6
160.54047	2.1
161.09528	4.0
161.13173	3.9
163.11070	8.6
165.06918	3.6
165.09091	20.2
167.08548	3.4
168.09273	2.8
169.10051	19.2
170.10863	4.7
171.11609	27.4
173.09508	3.5
173.13171	18.5
175.11154	9.6
175.14751	3.9
177.09055	2.5
179.08469	2.5
180.09344	4.6
181.10083	14.2
181.12076	3.4
182.10840	7.9
183.11598	27.0
185.13203	14.0
186.13947	2.1
187.11137	2.3
187.14754	7.9
189.12822	2.0
190.13461	2.1
193.10086	9.6
193.12082	3.3
194.10762	3.2
195.11694	16.5
197.09528	2.2
197.13232	16.0
199.11115	3.6
199.14703	4.2
200.15457	2.2
201.12674	3.1
203.14268	13.2
206.10713	2.6
207.11684	10.3
207.13626	5.6
209.09538	2.1
209.13187	14.1
211.11212	2.2
211.14795	11.3
214.68410	2.4
217.15735	2.9
219.11694	3.1
219.13745	2.7
221.13353	4.3
221.15277	31.8
223.14771	9.1
225.16251	2.5
234.16112	3.1
235.14618	2.5
237.12642	4.2
237.16406	3.2
239.17836	2.9
246.13983	1.8
247.16937	3.3
261.16403	2.3
263.17838	3.8
281.18915	2.0
285.22308	2.3
299.20041	2.5
325.21591	9.2
337.21667	6.1
352.23856	37.3
365.24588	11.7
397.27277	3.2
398.28162	4.3
404.30551	7.3
412.29541	12.3
438.31152	10.4
451.84518	2.2
489.33466	3.6
491.34949	3.8
504.35785	100.0
584.41699	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	583.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	3.6
55.05486	16.5
56.73602	3.1
57.07052	7.6
59.04967	4.5
65.03883	5.2
67.05460	26.8
69.03397	6.4
69.07034	21.6
71.04955	3.7
71.08609	4.1
79.05471	32.6
81.07012	34.9
83.04923	4.8
83.08595	5.7
83.16527	3.6
91.05443	73.1
93.07003	59.7
95.04914	6.4
95.08591	34.2
100.60400	4.1
101.01832	4.4
103.21334	3.6
105.04452	4.5
105.06988	93.7
107.08562	45.2
109.06483	9.9
109.10121	17.2
110.78835	3.7
114.35981	4.3
115.05401	8.6
117.06969	23.9
119.08546	100.0
121.06483	6.0
121.10096	42.2
123.08003	6.1
123.11713	6.1
128.06187	18.2
129.06944	25.8
130.07652	7.4
131.08537	47.6
133.10086	42.7
133.90504	3.8
135.08029	9.7
135.11632	6.0
137.09590	5.1
139.57664	4.5
141.06940	7.7
142.07771	35.8
143.08505	51.4
144.09203	5.8
145.10080	65.0
147.08023	10.1
147.11676	20.5
153.06944	5.6
154.07724	5.2
155.08490	22.6
156.09268	28.2
157.10100	61.0
158.10806	16.5
159.11638	19.4
161.09628	5.3
165.06879	9.3
165.09038	6.6
166.07632	5.3
167.08459	15.9
167.10622	9.9
168.09299	5.8
169.10075	39.2
170.10831	7.4
171.11638	24.3
173.13190	23.9
175.14816	6.7
179.08476	21.5
180.09254	10.2
181.10048	21.9
182.10791	17.3
183.11656	36.0
184.12434	5.2
185.13191	16.6
192.09219	8.3
193.10020	21.4
194.10809	19.6
195.11624	28.1
196.12447	5.7
197.13214	10.2
199.14803	8.7
203.14334	5.7
206.10776	5.6
207.11742	28.8
207.13469	4.6
208.12352	7.3
209.13191	23.1
211.14728	10.1
217.15775	4.6
219.11617	19.5
220.12314	5.0
221.13170	19.3
221.15187	12.4
223.14732	20.3
231.11604	6.0
232.12431	5.8
233.13065	6.6
234.13930	6.7
235.14804	5.8
245.13068	9.9
249.16289	18.8
251.17854	6.5
252.82512	4.6
258.85513	4.3
259.14648	6.3
266.26297	4.3
275.17825	5.9
283.20471	7.7
289.19400	5.2
301.18985	5.0
303.29959	5.2
501.32675	9.3
583.40991	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	583.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12860	2.4
54.62031	2.5
55.05491	20.3
57.07055	14.0
64.32360	3.1
67.05473	22.5
69.03397	14.0
69.07036	23.7
73.33840	2.5
76.54867	3.0
79.05461	35.6
81.07017	36.8
82.55819	3.1
83.04945	7.2
83.08585	5.3
85.06506	5.7
91.05437	61.7
92.09332	12.4
93.06995	55.6
95.04929	16.3
95.08569	31.7
103.05427	4.2
105.06995	100.0
107.08572	37.9
108.56288	3.0
109.06501	12.5
109.10150	14.3
111.08153	3.6
115.05454	4.3
117.06940	22.1
119.08541	80.6
121.06440	5.1
121.10108	48.2
123.08047	19.0
128.06163	18.0
129.06967	24.4
130.07750	12.9
131.08525	42.1
133.10080	40.4
135.07994	6.9
135.11693	12.9
136.53230	3.6
137.09605	4.5
137.89722	3.0
141.06949	14.1
142.07730	43.7
143.08504	57.5
145.10065	54.0
147.08020	12.6
147.11691	14.5
151.07486	4.9
154.07813	5.1
155.08559	28.6
156.09319	24.9
157.10086	52.4
158.10905	12.9
159.11696	20.4
161.09642	3.7
161.13171	12.1
165.06905	5.7
165.09047	17.9
167.08551	20.1
167.10651	5.0
168.09264	11.3
169.10042	29.6
170.10883	15.8
171.11600	35.3
173.13249	6.2
179.08470	23.3
181.10071	16.8
181.12134	3.4
182.10854	5.1
183.11656	32.2
185.13185	13.9
192.09344	3.5
193.10019	23.6
194.10822	15.8
195.11575	22.7
196.12311	4.7
197.13205	12.9
199.14754	11.6
203.14229	5.7
205.10127	5.9
206.10840	17.1
207.11658	21.9
207.13556	4.2
208.12439	6.3
209.13188	20.1
211.14799	5.7
216.09425	3.5
217.10040	6.2
217.15793	6.3
219.11690	15.5
220.12413	7.2
221.13170	15.1
221.15306	23.5
223.14734	15.2
225.16417	5.0
226.41139	3.3
230.10869	4.4
231.11589	6.7
232.12318	4.2
233.13228	14.1
233.15475	4.0
234.13919	3.6
235.14774	5.3
245.13225	5.7
247.14783	5.8
249.16420	7.6
259.14563	5.9
263.17963	3.9
275.17929	5.9
283.20370	6.0
349.25168	5.0
363.16391	3.8
403.29907	3.6
531.26117	3.8
565.39746	7.3
583.41180	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43465	4.7
53.40146	4.4
55.05494	20.7
56.15568	4.0
57.07063	19.6
66.83101	5.4
67.05476	47.7
69.03422	7.3
69.07043	8.8
79.05453	31.1
81.07015	34.2
83.08611	6.0
87.72507	4.4
91.05438	36.6
93.07024	52.3
95.04932	18.8
95.08601	38.6
99.54594	5.5
105.07004	58.3
107.08569	31.0
109.06526	7.5
109.10138	30.8
111.08022	5.8
117.06995	11.1
119.08530	66.5
121.06490	8.8
121.10081	31.3
123.08018	21.7
126.82850	5.5
131.08542	26.9
133.10100	28.6
135.08015	23.5
135.11708	8.3
137.09608	21.4
139.62862	5.4
142.07733	8.6
143.08514	25.8
145.10097	32.2
147.08020	47.2
147.11627	5.0
151.07466	6.0
155.08505	6.1
157.10104	27.5
159.11610	11.1
165.09044	56.2
169.10103	10.8
171.11690	10.2
183.11662	6.3
191.94669	5.0
195.11748	7.2
198.18483	21.6
203.14288	11.9
221.15311	100.0
228.32416	5.8
264.84692	5.3
370.26923	4.9
372.09802	5.4
468.37332	9.5
473.33829	7.3
503.34976	6.7
548.40070	10.0
583.40924	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56320	2.2
54.39134	2.2
55.05492	16.2
57.07057	13.4
59.04971	3.3
67.05477	17.0
69.03392	4.3
69.07037	5.0
69.10979	2.6
74.02869	2.3
74.90649	2.5
77.80334	2.8
79.05450	21.6
81.07023	34.1
83.04947	3.1
83.08591	4.1
85.06526	5.5
91.05438	33.1
93.06999	38.9
95.04926	5.7
95.08562	30.1
97.06506	2.9
99.08056	2.6
105.06998	64.5
107.08563	37.8
109.06464	4.2
109.10126	16.1
111.08058	2.9
117.06984	14.6
119.08548	64.5
121.06441	3.0
121.10075	26.4
123.08023	11.3
128.06148	2.9
129.06975	18.2
131.08545	32.8
133.10063	39.9
135.08028	11.9
135.11650	14.1
142.07732	16.2
143.08482	25.2
144.09306	4.7
145.10078	51.6
147.08011	16.0
147.11659	6.7
149.09572	5.5
151.07521	13.8
155.08473	12.6
156.09290	12.9
157.10094	38.9
158.10855	3.7
159.11638	27.5
161.09557	5.2
161.13164	3.4
165.06865	3.6
165.09076	16.0
167.08498	5.1
168.09322	6.0
169.10049	18.4
170.10829	4.6
171.11612	21.7
173.09563	3.9
173.13243	13.5
175.14737	10.6
179.08459	4.3
181.10071	12.9
182.10783	4.6
183.11629	18.3
185.09583	3.1
185.13181	4.5
187.14722	5.2
193.10094	5.7
194.10757	3.9
195.11629	14.6
196.12430	3.7
197.13223	14.4
199.14932	3.2
201.16367	3.2
203.14185	4.3
207.11572	5.3
207.13699	10.7
209.13156	10.7
211.14755	3.9
221.13254	9.3
221.15337	25.1
223.14848	6.5
227.07616	3.4
229.12138	3.5
233.13031	4.1
235.14767	5.5
237.16266	4.1
323.39456	3.1
405.39929	3.7
425.30405	5.7
491.35062	100.0
492.35162	4.0
511.06308	3.2
583.32727	5.1
583.41254	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01851	2.5
55.05485	2.7
56.06635	1.0
57.69273	1.3
59.04987	1.4
62.03755	0.9
63.36624	1.0
65.03894	2.2
67.05473	7.6
69.03396	3.0
69.07037	5.6
78.04674	1.9
79.05455	12.7
81.03399	13.8
81.07027	8.3
83.04946	1.8
85.02861	5.1
91.05441	15.6
93.06991	6.7
94.04163	2.6
94.09341	1.2
95.04929	7.4
95.08563	8.4
97.06513	13.6
98.97540	1.5
103.05421	8.1
103.88565	1.2
105.03387	1.3
105.06507	1.2
105.07010	19.5
107.04922	16.3
107.08543	3.1
109.10146	2.2
111.04420	1.6
115.05412	26.3
117.06985	20.3
118.04104	1.4
119.04913	1.6
119.08501	5.7
121.06456	2.7
121.10107	1.8
122.03626	9.1
123.04392	9.6
123.07953	1.3
124.05214	1.9
127.03869	1.4
128.06232	1.7
129.06934	2.5
131.04887	6.4
131.08510	3.2
132.05635	3.1
133.06471	18.8
135.04364	1.6
137.05936	100.0
141.06882	1.8
143.04874	5.0
143.08521	1.7
144.05678	3.0
145.06432	25.8
147.04378	6.4
147.08049	10.8
149.05965	2.9
151.03854	17.1
151.04979	2.2
151.07462	1.7
152.04657	2.0
153.05473	3.2
153.06882	1.5
155.05969	6.6
156.05614	5.5
157.06445	2.3
159.08015	1.7
160.05116	2.5
161.05922	23.6
163.03871	3.0
163.07390	2.6
164.41147	1.2
167.06982	93.4
167.08434	3.1
171.07944	1.4
172.05194	2.4
172.17821	1.3
173.05956	13.6
174.06682	1.8
175.07498	13.6
177.05391	6.0
179.06967	8.2
180.05594	1.8
181.04872	12.7
181.06317	2.4
181.08545	7.2
183.08128	1.2
186.42659	1.3
187.07469	6.3
189.05455	1.9
189.09120	1.8
190.06174	1.9
191.06967	11.9
192.04134	1.8
192.07649	1.7
193.08519	7.3
195.06482	2.3
197.05867	1.7
198.06732	2.4
203.06839	2.7
205.08568	15.5
207.06334	10.6
207.10118	5.3
209.11185	1.3
210.06607	1.7
214.63269	1.5
217.08568	8.0
219.06282	2.4
219.10153	2.3
223.07443	2.1
226.06198	5.8
227.07076	1.5
233.08026	5.8
235.09526	16.6
241.08508	12.8
247.07423	3.1
248.08078	1.9
257.08020	1.7
269.07974	3.3
271.05872	2.5
287.12720	5.9
289.10699	2.3
291.10147	2.0
295.09570	2.0
299.05289	1.7
301.10602	2.3
307.09561	2.8
313.10403	1.6
314.07797	2.1
329.10022	10.9
331.11572	2.0
333.11090	1.8
337.10583	1.9
369.13141	2.1
381.12961	2.2
385.12958	2.1
399.14069	5.3
411.14316	2.9
429.15381	1.5
441.15439	1.5
459.16495	13.7
535.18958	1.4
547.19983	5.4
553.20203	3.1
565.20972	10.2
583.21448	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	582.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01530	3.2
51.65448	3.4
53.03926	4.0
55.05493	42.5
57.03428	33.6
57.07046	7.5
57.71608	3.5
60.46614	3.5
60.65694	3.7
61.88639	3.3
62.94166	3.1
67.05482	97.9
69.07045	34.9
69.27780	3.8
71.04936	6.2
76.63520	3.5
79.05453	51.7
81.02976	5.3
81.03385	52.2
81.07029	92.4
83.04955	14.6
83.08604	38.7
85.02868	36.0
87.28886	3.4
90.51714	3.8
91.05442	47.4
93.06998	37.7
95.04933	26.1
95.08578	65.0
97.10099	7.1
105.06979	26.5
107.08556	20.7
109.10119	25.4
112.12299	3.7
119.08543	25.0
120.86916	3.4
121.10099	17.2
122.07340	4.5
123.11669	5.5
129.06905	15.5
131.08548	9.8
133.10078	22.9
147.11633	7.7
149.09567	6.9
157.10056	19.8
159.07890	3.9
175.11121	8.4
193.12195	25.7
211.13274	34.0
229.32469	4.1
244.06250	3.8
251.39510	4.3
267.15784	7.7
285.16840	35.7
337.27283	87.2
467.36896	9.6
529.38495	15.8
547.32556	6.0
547.39825	100.0
582.40149	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	583.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
57.03416	1.7
67.05483	1.9
69.03410	1.9
73.41054	1.1
79.05457	1.6
81.07034	3.1
81.93546	1.1
85.02855	2.6
85.22616	1.1
88.19437	1.2
90.81136	1.2
91.05443	2.6
93.06985	2.4
95.04932	24.6
95.08585	2.7
97.02861	2.0
101.58436	1.1
105.07037	2.1
107.04929	4.9
109.02829	1.8
109.10141	2.1
111.04448	5.0
121.02828	6.9
121.10077	2.0
123.04382	100.0
123.68827	1.5
125.31884	1.2
133.10039	1.7
135.04391	6.1
135.11621	1.5
137.02301	15.2
137.05916	9.0
139.03882	8.1
147.04378	1.5
153.01749	1.4
161.02295	2.4
161.05934	1.7
163.03831	5.3
165.01805	8.2
165.05392	7.9
167.03339	1.7
167.07005	2.3
179.03391	2.9
181.04991	2.7
183.02837	7.7
191.03311	2.0
203.03339	3.0
221.04300	2.7
255.06424	2.0
283.05923	14.6
286.04767	1.9
287.05460	2.8
295.05832	9.8
297.07452	11.4
299.05389	68.1
300.06143	2.7
307.05930	2.1
309.07333	8.9
311.05341	23.2
313.06924	17.3
321.07425	6.2
323.05322	5.3
324.06378	1.8
325.03217	5.0
325.06824	25.4
327.08633	1.4
329.06409	42.2
337.06949	42.3
341.06451	10.8
349.07092	2.8
351.04840	1.7
353.06427	28.1
355.08002	5.0
365.06418	35.9
367.08090	6.2
379.07803	1.4
383.07440	54.3
385.09061	2.7
401.08521	48.6
403.07846	2.1
417.09763	2.8
419.09705	5.6
429.09238	2.7
441.09479	1.9
457.08704	1.9
459.10352	1.7
462.35126	1.5
463.10034	2.1
475.10019	4.7
493.11017	1.7
517.11194	22.3
547.12097	18.8
553.20471	1.5
565.13293	10.6
583.13873	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	582.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93559	0.4
53.03936	3.5
55.01857	3.8
55.05494	1.2
56.96546	0.5
57.03416	4.2
57.07053	0.7
61.02904	4.3
67.05157	0.5
67.05468	4.0
68.99773	0.9
69.03405	22.8
69.07038	2.3
71.01321	0.5
71.04979	4.0
73.02879	4.6
73.40103	0.4
79.05464	6.1
81.03386	15.5
81.07024	100.0
83.01316	0.6
83.04935	2.3
85.02874	57.7
85.06514	0.5
86.09674	0.4
87.00798	29.2
87.04448	0.8
91.03947	0.6
91.05457	1.1
93.07010	2.8
95.04921	1.8
95.08560	9.8
97.02853	28.2
97.06493	3.6
98.97599	0.5
99.04422	7.6
105.01825	34.0
105.06995	3.8
107.04896	0.8
107.08550	3.0
109.02087	0.7
109.02843	20.5
109.06495	1.2
109.10120	3.3
111.04440	0.6
111.07999	0.9
115.03843	0.7
117.01830	0.8
117.06951	0.5
119.08549	2.9
121.10117	2.6
123.04366	2.2
123.11652	0.9
127.03868	46.2
129.01814	2.0
131.04837	0.6
131.08522	0.6
133.06467	1.2
133.10080	3.1
135.11667	2.4
137.05931	0.7
137.13200	13.8
137.77634	0.5
142.39752	0.5
145.04903	14.1
147.04411	0.7
147.11642	2.7
149.05940	0.8
151.03905	0.6
151.07458	0.7
159.02838	6.8
161.05948	3.1
163.03915	2.4
164.13548	0.6
167.07047	0.6
173.05937	0.5
175.03828	0.7
175.07576	1.0
177.31651	0.5
179.07016	0.7
189.05461	0.6
189.09093	1.8
195.07892	0.7
201.09050	1.8
203.17955	1.9
204.18452	0.6
211.07495	0.6
213.03847	4.5
215.06985	0.8
217.08476	0.8
221.09668	0.7
221.18965	0.8
225.08986	0.7
231.04912	14.8
249.05957	9.3
252.11465	0.5
271.08093	1.0
287.12766	1.9
309.14578	0.7
311.12741	1.1
327.15768	0.8
343.15152	0.8
349.24020	0.6
355.15131	1.9
356.51215	0.7
357.07858	1.5
373.16238	0.9
375.09024	1.1
393.10324	2.3
397.75729	0.5
411.11057	0.7
468.40796	0.5
550.26471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83377	2.5
55.05493	54.7
57.03421	41.4
57.07062	8.2
57.07347	2.5
61.92045	2.9
67.05481	89.1
69.03399	2.9
69.07032	35.3
70.04642	3.1
71.04967	7.2
71.08570	3.3
77.94109	3.2
79.05457	56.4
81.03387	73.3
81.07021	100.0
83.04949	22.0
83.08588	39.0
85.02876	35.0
89.59751	3.0
91.05439	53.1
93.06998	35.4
95.04933	33.7
95.08564	68.4
95.93807	3.1
97.06456	3.8
97.10171	3.6
104.47794	2.9
105.06978	42.4
107.04884	5.6
107.08545	15.7
109.06453	3.8
109.10133	18.0
111.07997	6.5
111.80355	3.4
113.13435	3.7
114.36629	3.5
117.06990	3.8
119.08545	41.3
120.49454	3.7
121.10102	19.5
122.16504	3.4
123.11662	8.3
129.06996	7.0
131.08530	6.9
133.10107	20.8
145.10123	5.2
147.11638	15.7
149.09523	5.1
157.10103	24.8
165.12663	4.7
175.11105	17.6
193.12129	36.4
211.13228	52.0
267.15820	7.0
272.18588	3.2
285.16843	67.7
337.27203	70.4
373.38419	4.1
459.45325	3.5
467.37491	5.3
529.38409	7.2
547.39838	70.7
582.40247	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	582.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
54.26418	0.3
55.01854	1.1
55.05497	1.4
57.03420	1.5
57.07050	1.4
60.04494	0.3
60.08143	0.4
61.02897	1.2
64.60298	0.2
67.05472	4.7
68.99749	0.5
69.03407	6.9
69.07056	2.4
71.04962	0.6
73.02883	0.7
79.05457	7.8
81.03385	4.2
81.07024	100.0
82.07361	0.4
83.04942	0.5
83.08596	0.4
85.02875	16.7
85.06514	1.4
86.09670	2.9
87.00789	6.8
91.05441	1.4
93.07007	3.3
93.81365	0.3
94.79567	0.3
95.04953	1.1
95.08568	15.3
97.02855	7.1
97.06496	5.3
97.10169	0.3
99.04413	2.1
99.08099	0.3
105.01827	7.2
105.07005	1.8
107.08560	2.8
109.02852	4.0
109.10126	1.9
111.08064	0.4
118.49802	0.3
119.08549	1.7
121.06461	0.4
121.10120	2.4
123.04336	0.3
123.08046	0.3
123.11658	0.4
124.99963	2.3
127.03866	9.9
127.04709	0.5
129.01819	0.5
131.08522	0.4
133.10110	2.7
135.04376	0.4
137.05965	1.4
137.13206	12.8
145.02812	2.0
145.04909	2.5
147.11623	0.7
153.01810	0.4
154.39787	0.3
159.02850	1.6
161.05942	0.7
163.03893	1.7
163.14729	0.5
167.07025	1.8
177.05368	2.6
184.07278	7.2
184.93945	0.3
191.03331	0.4
191.06987	1.7
191.39806	0.3
193.04834	0.3
203.17953	0.4
213.03914	0.7
231.04871	3.5
245.39119	0.3
249.05994	1.6
259.09592	0.3
285.04135	0.3
287.12628	3.0
288.48087	0.3
355.15302	0.7
373.16141	1.2
565.22919	0.4
582.33563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01855	1.9
55.05494	0.4
57.03426	2.4
57.07062	1.9
61.02906	2.7
66.04670	0.3
67.05481	3.7
68.99754	0.3
69.03033	0.4
69.03407	11.0
69.07053	3.4
71.04966	1.4
73.02894	1.4
79.05465	6.5
81.02946	0.5
81.03395	7.9
81.07028	100.0
83.04950	0.4
85.02879	32.4
87.00262	0.6
87.00800	16.6
87.04465	0.4
91.03910	0.3
92.08562	0.3
93.07022	1.1
94.62135	0.3
95.08572	15.7
97.02859	12.0
97.06506	0.6
99.04417	3.6
103.03960	0.3
105.01832	16.8
105.07013	0.5
107.08549	0.5
109.02849	9.2
109.10135	1.3
115.03878	0.3
117.01845	1.1
121.10133	0.3
123.04458	0.3
123.11699	0.3
127.03873	17.3
129.01825	1.6
137.13213	12.1
145.04930	6.7
147.02892	0.4
147.11676	0.4
159.02832	3.1
181.04900	0.5
191.03288	0.6
213.03955	1.2
231.04927	6.5
232.83527	0.3
249.05972	4.5
367.14020	0.3
393.09946	0.5
526.63116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
54.26418	0.3
55.01854	1.1
55.05497	1.4
57.03420	1.5
57.07050	1.4
60.04494	0.3
60.08143	0.4
61.02897	1.2
64.60298	0.2
67.05472	4.7
68.99749	0.5
69.03407	6.9
69.07056	2.4
71.04962	0.6
73.02883	0.7
79.05457	7.8
81.03385	4.2
81.07024	100.0
82.07361	0.4
83.04942	0.5
83.08596	0.4
85.02875	16.7
85.06514	1.4
86.09670	2.9
87.00789	6.8
91.05441	1.4
93.07007	3.3
93.81365	0.3
94.79567	0.3
95.04953	1.1
95.08568	15.3
97.02855	7.1
97.06496	5.3
97.10169	0.3
99.04413	2.1
99.08099	0.3
105.01827	7.2
105.07005	1.8
107.08560	2.8
109.02852	4.0
109.10126	1.9
111.08064	0.4
118.49802	0.3
119.08549	1.7
121.06461	0.4
121.10120	2.4
123.04336	0.3
123.08046	0.3
123.11658	0.4
124.99963	2.3
127.03866	9.9
127.04709	0.5
129.01819	0.5
131.08522	0.4
133.10110	2.7
135.04376	0.4
137.05965	1.4
137.13206	12.8
145.02812	2.0
145.04909	2.5
147.11623	0.7
153.01810	0.4
154.39787	0.3
159.02850	1.6
161.05942	0.7
163.03893	1.7
163.14729	0.5
167.07025	1.8
177.05368	2.6
184.07278	7.2
184.93945	0.3
191.03331	0.4
191.06987	1.7
191.39806	0.3
193.04834	0.3
203.17953	0.4
213.03914	0.7
231.04871	3.5
245.39119	0.3
249.05994	1.6
259.09592	0.3
285.04135	0.3
287.12628	3.0
288.48087	0.3
355.15302	0.7
373.16141	1.2
565.22919	0.4
582.33563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
53.23273	0.2
55.01856	3.4
55.05488	0.9
57.03418	3.1
57.07056	1.7
57.89303	0.2
61.02902	3.5
65.03918	0.3
67.05480	4.2
67.05824	0.4
68.99753	1.2
69.03400	16.9
69.07043	4.2
71.04971	3.1
73.02881	3.5
79.05457	7.8
81.03385	13.1
81.07021	100.0
81.18855	0.2
83.01288	0.3
83.04954	0.2
83.16565	0.3
85.02870	40.6
87.00794	22.3
87.04448	0.5
91.03899	0.5
91.05453	0.3
93.07014	1.4
95.04949	0.4
95.08565	18.3
97.02849	21.1
97.06526	0.4
99.04405	5.7
103.03925	0.5
105.01826	22.6
105.07014	0.3
107.08587	0.4
109.02842	15.7
109.10120	1.3
115.03882	0.4
117.01809	1.3
119.08489	0.3
121.10084	0.3
127.03863	27.2
129.01808	1.7
133.10097	0.5
135.11658	0.3
137.05963	0.3
137.13200	11.7
144.62854	0.2
145.02933	0.4
145.04903	9.8
147.02873	1.0
147.11682	0.5
149.13196	0.3
151.03760	0.2
159.02817	5.2
167.07042	0.4
177.05415	0.9
177.12871	0.2
180.31029	0.2
189.03900	0.5
213.03842	3.0
231.04910	9.4
249.05980	5.1
253.07031	1.4
271.08011	0.5
357.07910	0.5
393.10287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01856	1.1
55.05485	2.7
55.88102	0.6
56.96544	0.7
57.03411	2.7
57.07053	0.8
61.02901	2.7
64.32628	0.6
67.05483	5.8
69.03410	15.2
69.07042	4.9
71.04966	4.5
73.02896	0.8
79.05451	9.4
81.03400	6.8
81.07025	100.0
83.04938	0.8
83.08589	1.2
85.02874	37.8
87.00803	14.2
88.16006	0.5
91.03893	0.8
91.05436	3.8
93.07021	9.4
94.07362	0.8
95.04923	1.0
95.08572	14.8
97.02859	13.2
97.06480	3.4
98.97539	0.9
99.04406	4.0
103.05409	0.8
105.01829	20.5
105.07004	7.6
106.98039	0.7
107.04948	0.8
107.08554	9.2
108.08877	0.8
109.02840	9.7
109.10123	5.7
111.04353	0.8
117.03330	2.9
119.04971	0.6
119.08541	8.1
120.08894	0.7
121.10105	3.6
123.04359	1.0
123.11683	2.7
127.03872	22.3
127.11105	0.8
129.01804	1.0
131.08543	3.3
133.10075	4.2
134.10509	0.7
135.04376	0.7
135.11618	6.0
137.05928	2.9
137.13222	15.0
145.02776	7.7
145.04965	5.5
145.10086	0.7
147.02782	0.8
147.04378	1.3
147.11646	4.2
148.12003	0.8
149.05974	2.5
149.13263	0.8
153.05434	1.0
157.09998	0.9
159.02855	1.1
161.09526	0.8
161.13219	1.3
163.03799	0.9
163.14922	0.8
167.06973	4.4
173.05807	0.8
177.05406	13.3
181.53619	0.7
197.05943	1.0
203.17903	5.1
204.18240	1.3
204.21010	0.6
213.03770	0.7
217.08246	0.6
220.87032	0.7
221.18941	4.2
227.06932	0.7
231.04871	10.4
249.06021	7.2
249.18120	0.7
269.17480	1.3
283.08359	1.0
287.12723	0.8
314.17844	0.7
329.13519	0.9
337.14349	1.0
349.23422	1.3
355.15591	1.1
367.24646	1.4
375.09216	0.8
482.94376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68136	1.0
60.92611	1.0
67.27968	0.9
69.03409	7.8
71.04953	0.9
71.08714	0.9
73.02897	1.2
79.01818	1.9
79.05435	1.3
81.03395	2.3
85.02873	10.1
89.23848	1.0
91.05405	1.0
94.34508	0.9
97.02831	4.0
107.04936	1.2
109.02855	1.8
121.02798	1.8
123.04282	1.0
135.04361	2.0
135.16031	1.1
137.02306	16.8
161.02330	1.6
163.03883	4.9
165.01781	1.6
165.05426	1.1
167.03418	1.2
167.06981	1.8
171.02884	1.0
183.02823	1.9
185.19247	1.0
191.03384	1.2
203.03384	2.1
205.04913	5.5
207.02733	1.5
213.05336	1.2
217.04915	1.8
229.04842	3.7
231.02809	1.6
247.06119	1.7
249.03943	4.5
271.05930	4.7
272.06699	7.4
287.05435	7.3
297.07635	2.4
298.07813	1.9
299.05365	74.9
300.06161	44.4
303.04971	5.5
311.05365	22.9
313.06949	35.9
321.07312	1.3
323.05420	5.6
324.06247	5.5
325.07050	10.0
327.04959	1.9
327.08542	9.0
329.06436	81.3
337.06821	11.4
339.04758	5.1
341.06381	14.0
349.06836	1.1
353.06403	39.3
355.07986	9.0
359.07373	18.5
365.06375	13.7
377.06366	1.3
379.08133	1.3
383.07455	96.2
395.07162	1.7
401.08493	32.0
407.07333	2.2
419.09470	33.6
425.08313	1.2
527.11389	1.8
545.12903	5.3
563.13806	1.9
581.14777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1487
Annotation	Neocarlinoside
Peak:m/z	Relative Intensity
51.61263	1.9
52.24726	1.8
53.78627	1.9
55.01844	9.4
57.03415	3.0
59.00256	1.9
61.02892	3.5
64.32168	2.5
66.35047	2.1
68.04336	1.9
68.47187	2.3
85.02848	3.1
95.87609	2.3
107.04880	3.7
107.95419	2.1
121.02814	3.3
132.95137	2.7
135.04353	18.3
137.02298	51.5
159.04323	2.5
161.02231	8.4
163.03809	2.7
175.03737	3.4
177.01761	3.8
180.16203	2.9
187.03845	4.1
189.01756	9.7
191.03316	10.6
195.02812	11.1
199.03709	3.6
203.03293	31.1
207.02794	10.2
215.03352	12.7
217.04863	14.2
219.02910	3.9
221.04401	10.6
227.03366	4.8
229.04996	2.6
231.02757	4.7
233.04320	5.7
241.04779	3.5
243.02756	5.7
250.46245	2.6
283.05923	2.7
284.06595	3.3
296.06747	3.4
299.05377	5.5
307.05960	3.7
308.06836	2.9
309.07407	8.7
310.04657	22.9
311.05368	100.0
312.06268	2.7
313.06946	9.6
313.81674	2.4
321.07260	2.7
322.08170	2.9
323.05438	60.8
324.06332	17.3
325.06833	20.0
329.06329	3.6
333.07407	3.2
335.05234	4.4
336.06219	10.9
337.06885	66.1
338.07632	10.4
339.08331	7.3
341.06421	57.2
345.07346	4.1
349.06808	33.6
350.07742	2.8
351.08594	34.3
352.05704	4.6
353.06412	54.7
361.06985	18.3
363.08401	5.6
365.06406	62.0
367.07870	27.9
371.07516	3.9
375.08344	5.4
377.06366	33.1
377.10541	3.6
379.07947	29.0
383.07474	5.0
389.06229	16.9
391.07916	15.5
395.07446	62.1
403.07895	9.1
405.09750	3.3
407.07401	57.2
415.08319	3.8
417.09073	3.5
419.07568	24.1
421.09100	3.0
425.08438	50.2
431.07285	12.4
437.08450	2.9
443.09558	70.0
449.08578	19.5
461.09009	14.5
473.10117	14.3
479.09314	4.9
491.10132	14.1
497.10556	34.1
509.10233	9.6
515.11621	24.4
527.11652	80.8
545.12659	44.1
563.13751	26.4
581.14905	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	581.1486
Annotation	Luteolin 7-glucoside-3'-xyloside
Peak:m/z	Relative Intensity
55.01825	2.3
57.03389	0.4
61.79171	0.3
68.99718	1.7
69.03356	2.2
70.06525	0.4
79.01779	0.5
79.05421	0.6
81.03333	0.6
85.02814	2.6
91.05399	0.5
92.08664	0.9
93.03333	0.4
97.02815	2.3
109.02799	0.8
121.02788	3.0
121.03571	0.4
135.04375	4.4
137.02290	15.8
141.01720	0.8
145.02692	0.6
147.04315	1.0
161.02286	4.6
163.03865	3.6
165.01768	10.1
167.03294	2.6
169.02675	0.6
173.02309	0.6
175.03802	2.0
177.01740	0.6
177.05345	0.7
179.03362	5.5
181.04822	0.9
183.02832	6.3
187.03835	0.8
189.01756	0.6
191.03322	2.7
193.04901	1.7
195.02850	1.9
203.03316	5.4
205.04880	1.1
207.02873	0.9
217.04822	0.8
221.04308	2.5
229.04816	3.5
231.02756	2.6
245.04381	2.1
247.05913	0.6
249.03880	2.7
255.06363	0.5
257.90576	0.5
271.05890	2.3
272.06686	2.8
279.06430	0.5
283.05887	7.9
286.04639	2.0
287.05383	9.1
289.03287	0.5
295.05951	4.7
297.07437	13.0
299.05386	100.0
300.06134	21.1
301.07007	0.8
309.07529	5.0
310.04617	0.5
311.05377	21.4
313.06927	27.1
321.07397	3.7
323.05371	6.7
324.06085	1.1
325.06915	38.8
327.05139	0.8
327.08521	6.5
329.06421	74.4
336.06586	0.7
337.06937	45.0
339.04807	0.8
341.06458	12.7
353.06406	54.7
355.08032	9.0
359.07492	4.9
365.02866	1.3
365.06412	49.3
383.07452	70.8
395.06952	0.6
401.08435	9.7
419.09561	29.3
419.15176	1.0
449.10641	0.6
461.10614	10.1
491.11679	9.2
515.11621	24.3
545.12689	49.1
563.13739	18.8
563.22473	0.6
581.14789	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	581.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73673	1.4
55.01867	2.7
61.02895	2.3
75.60790	1.7
79.48845	1.7
80.58308	1.6
85.02896	3.2
85.14944	1.8
88.75546	1.4
107.04929	3.0
135.04384	11.9
137.02290	46.5
155.65132	1.8
161.02289	8.4
163.03874	1.7
175.03770	3.0
177.01740	2.9
185.05981	2.4
185.31947	1.8
187.03848	3.5
189.01813	15.9
191.03429	6.1
195.02827	13.5
201.05428	2.6
203.03333	20.3
205.04829	3.3
205.06619	2.3
207.02841	11.4
209.04276	1.9
213.05511	2.2
215.03329	6.1
217.04915	8.8
219.02821	2.8
221.04453	7.1
227.03291	2.0
229.04865	12.9
231.02853	2.4
233.04440	6.6
241.04939	3.4
243.02853	4.0
245.04211	2.1
255.02893	2.9
257.04312	2.0
267.06595	2.4
283.05917	2.9
284.06735	3.8
295.05807	4.0
296.06714	3.2
297.07565	2.9
299.05402	9.3
300.06033	2.8
309.07413	7.0
310.04654	20.7
311.05383	100.0
311.08679	3.8
312.06116	9.7
313.06961	11.7
321.07416	2.5
323.05389	64.2
323.08676	2.6
324.06180	19.9
325.07047	21.5
329.06451	4.0
333.07361	3.2
335.05441	4.1
335.09329	3.1
336.05942	6.1
337.06934	56.9
338.07666	17.8
339.04791	2.3
339.08545	8.5
341.06439	89.9
345.07358	2.3
349.07001	24.8
351.04700	3.0
351.08524	17.6
352.05817	2.5
353.06390	51.1
361.06830	7.9
363.08496	17.8
365.06384	55.0
365.10461	3.2
367.08020	30.3
371.07611	2.7
375.08340	3.1
377.06369	24.1
379.07941	9.2
381.09354	10.2
383.07446	9.0
389.06369	9.8
391.07941	16.0
393.09805	4.0
395.07471	89.7
403.08170	7.9
405.09756	2.1
407.07513	20.8
413.08508	29.2
419.07327	21.7
421.09003	10.4
425.08530	24.9
431.09500	14.1
433.08823	3.0
435.10635	7.1
437.08685	13.4
443.09668	12.6
447.08670	2.1
449.08530	21.2
455.09183	3.4
461.10413	21.7
467.09604	27.9
473.10718	27.0
485.10590	60.6
491.09476	8.6
497.10455	19.3
509.10782	17.6
515.11798	38.7
527.11664	23.6
545.12769	30.2
563.13702	28.2
581.14978	15.8
582.13812	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.6
57.03419	21.6
65.47460	2.7
67.05486	58.6
69.07054	21.9
71.04976	5.3
77.88429	3.0
79.05460	48.6
81.07026	100.0
83.04960	6.3
83.08595	5.6
91.05442	33.5
93.07011	51.1
95.04889	3.6
95.08577	51.0
97.06521	3.3
105.07004	37.5
107.08559	17.7
109.06475	3.4
109.10134	14.5
114.82080	2.8
117.45831	3.1
119.08551	30.4
121.10088	24.4
123.11660	19.1
128.05415	2.9
130.56131	2.6
131.08511	4.6
133.10057	6.6
135.11656	3.8
147.11642	37.4
149.13153	4.4
165.12758	10.9
200.10464	3.1
230.45851	3.1
261.21985	6.2
267.15814	25.9
285.16885	35.0
335.25674	81.4
342.43323	3.0
408.74026	3.5
545.38184	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.8
70.94009	0.7
71.41215	0.7
83.52821	0.6
107.04932	0.8
121.02775	1.4
135.04359	3.4
137.02315	10.6
147.04332	0.9
149.02261	1.2
161.02332	3.7
163.03816	3.3
164.53630	0.8
165.01778	10.7
167.03351	1.7
175.03850	1.3
179.03325	5.7
181.04933	1.0
183.02829	4.7
191.03342	1.2
195.02917	1.2
203.03372	5.0
219.71783	0.8
221.04330	1.2
229.05063	1.0
231.02835	1.6
271.05841	1.0
273.23767	0.9
283.05972	7.7
286.04553	3.7
287.05392	8.3
289.03119	0.8
295.05844	3.1
297.07437	13.5
299.05399	100.0
300.06146	8.8
309.07401	5.3
310.04587	1.0
311.05359	18.1
313.06894	16.5
321.07529	3.2
323.05481	6.3
324.06097	1.3
325.06946	45.9
325.10840	1.6
327.08496	4.3
329.06421	59.4
337.06949	43.4
341.06433	11.3
353.01913	0.9
353.06412	58.7
355.08142	5.9
365.06436	44.3
383.07458	75.5
401.08435	17.2
419.09393	4.2
461.10660	3.2
491.11786	7.0
513.12207	0.9
515.11615	10.6
545.12775	28.5
563.13708	16.4
581.14716	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	580.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	44.5
57.03416	25.4
58.36341	9.5
67.05473	65.0
69.07046	37.4
79.05473	24.8
81.03361	11.2
81.07028	83.4
83.04923	16.8
83.08586	24.9
91.05458	20.7
92.08688	19.4
93.07005	46.2
95.08570	79.9
97.10215	10.6
105.06998	13.7
107.08539	22.8
109.10172	12.1
119.08540	13.4
121.10101	12.7
123.08052	18.1
133.10118	13.0
135.11656	11.8
145.10022	11.7
163.11159	19.4
166.76416	9.9
183.49977	9.2
215.00281	10.1
218.75891	10.7
257.27954	13.5
283.15390	85.0
337.27188	100.0
522.77753	11.4
545.37817	57.3
580.38855	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	580.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41838	1.1
52.28125	1.1
53.00277	1.2
53.03916	6.4
55.01847	3.1
55.05239	2.4
55.05493	42.7
57.03149	1.8
57.03417	37.7
57.07039	3.2
65.03909	2.4
66.74315	1.3
67.05479	91.9
69.03398	5.3
69.07043	25.5
71.04946	8.1
79.05460	79.6
81.03385	87.6
81.03774	1.2
81.03883	1.6
81.07026	100.0
83.04948	27.7
83.08597	33.3
85.02868	35.5
85.06499	6.3
91.05444	70.1
93.07006	72.8
95.04933	36.3
95.08567	65.7
95.20669	1.4
97.02831	2.0
97.06468	7.9
97.10113	7.0
99.08008	1.7
99.96716	1.7
105.06998	49.0
107.04903	9.8
107.08549	30.4
109.06490	10.7
109.10127	21.5
111.08051	11.3
112.88103	1.3
113.05973	2.6
115.05408	2.5
117.06978	6.8
119.08540	37.4
121.06450	1.8
121.10091	26.4
123.07993	6.2
123.11649	5.3
127.06367	1.6
129.06975	18.3
131.08513	23.0
133.06387	2.3
133.10081	18.0
135.11638	9.7
137.09583	2.5
142.07787	5.4
145.10092	8.2
147.07985	3.1
147.11652	19.0
149.09575	9.3
149.13217	2.4
151.11234	1.5
157.10060	19.6
159.11598	1.9
161.13203	2.2
165.12654	2.1
173.13181	2.0
175.11124	15.2
193.12173	42.6
195.13921	1.8
211.13214	60.6
234.09422	1.5
243.21080	1.6
261.22076	7.0
267.15854	10.3
270.43130	1.4
285.16837	60.5
335.25677	74.0
346.00241	1.5
475.83167	1.7
527.36859	8.5
545.38220	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69564	7.4
54.43888	6.7
55.01859	7.7
55.05486	43.4
57.03410	17.4
63.34472	6.6
67.05487	81.6
69.07036	33.9
69.34975	7.4
79.05462	42.0
81.03387	13.0
81.07018	96.2
82.30582	7.2
83.01284	8.9
83.04948	12.1
83.08576	13.1
91.05447	35.8
93.06998	45.0
95.08556	58.8
97.06479	7.9
102.54636	6.9
105.06969	30.9
107.04900	10.1
107.08532	31.2
109.10117	14.8
119.08530	19.0
133.10106	10.5
135.11642	14.4
145.10054	11.0
163.11086	19.5
185.57036	7.8
283.15332	96.8
337.27301	100.0
471.34366	8.7
523.39386	11.3
545.38324	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	580.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27600	1.5
53.03935	3.9
54.80413	1.4
55.01855	6.8
55.05497	38.4
57.03424	31.9
57.07061	2.4
65.26400	1.6
67.05485	100.0
67.30842	1.4
69.03399	3.8
69.07040	20.8
71.04967	8.5
79.05466	84.4
81.02901	1.9
81.03390	68.8
81.07027	91.9
83.04950	20.9
83.08595	28.6
85.02875	31.7
85.06528	2.5
91.05449	63.5
92.61755	1.8
93.07008	73.4
95.04935	36.1
95.08571	59.6
97.02879	2.0
97.06516	6.1
97.10137	7.6
105.07001	42.5
107.04935	9.4
107.08564	34.0
109.06496	7.5
109.10125	18.5
111.08069	10.3
113.06054	2.1
115.05396	2.3
117.06962	9.4
119.08535	33.0
121.10097	27.0
123.08009	3.1
123.11709	4.2
125.09612	2.0
126.52012	1.7
129.06946	11.6
131.08516	25.1
133.10080	22.7
135.11620	13.4
137.09552	1.7
142.07726	3.5
143.31389	2.0
145.10123	9.0
147.11681	15.2
149.09547	7.4
149.13222	3.2
157.10095	13.3
159.11603	3.7
163.14687	2.2
165.12761	2.1
175.11104	11.0
193.12161	39.3
211.13219	28.8
261.22003	4.0
267.15823	9.6
285.16910	37.3
296.11215	2.0
307.54578	2.1
323.65573	2.1
325.54269	1.9
335.25684	81.6
431.28519	1.8
495.22614	1.8
527.37079	8.8
545.38196	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.388
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03912	4.0
55.01846	4.1
55.05496	36.6
56.79559	3.2
57.03412	15.9
62.19358	3.2
67.05150	6.9
67.05481	100.0
67.49796	3.4
69.07042	28.2
79.05466	52.3
81.03380	5.7
81.07027	66.1
83.04949	19.2
83.08600	18.6
91.05444	37.4
93.07007	67.1
95.04907	16.5
95.08569	50.0
96.41261	4.6
97.06483	5.5
97.10135	6.3
100.15089	4.0
105.07001	30.1
107.04923	10.0
107.08519	30.3
109.10121	36.4
111.04406	5.4
111.08071	5.6
117.06993	19.6
119.08537	26.3
121.10091	47.7
123.08012	4.7
129.07008	4.1
131.08524	18.1
133.10106	7.1
135.11676	29.7
137.21089	4.2
143.08563	6.2
145.10083	24.8
147.11697	6.0
149.09506	5.3
152.33331	4.0
153.12619	6.3
159.11641	4.4
163.11214	15.2
173.13223	5.4
191.10602	6.3
201.39120	4.2
227.12709	9.8
229.14334	4.1
265.14334	6.7
283.15332	8.8
301.16504	15.5
335.25784	9.4
534.99152	4.4
543.36670	22.6
561.37305	26.7
579.41522	4.4
603.90936	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	579.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
57.03368	0.4
61.02879	0.4
64.40877	0.3
65.03903	0.4
67.05457	0.4
68.99743	0.4
69.03394	2.4
73.02851	0.3
78.04644	1.6
78.08636	0.3
79.05447	0.7
81.03347	1.3
81.07017	0.3
85.02889	2.1
91.05455	1.1
92.08720	0.7
93.03345	0.3
95.04902	1.8
97.02822	0.5
97.06481	0.5
103.05387	1.3
106.04116	1.4
107.04900	1.5
110.03583	0.3
115.05422	2.5
117.06978	6.1
121.02786	1.7
123.04375	5.9
124.05152	1.6
127.03855	1.9
127.05392	0.4
135.04358	2.0
137.05927	0.4
139.03810	1.2
142.02524	0.4
145.02774	0.4
145.06445	9.8
146.39589	0.3
147.04344	0.3
147.08008	0.4
149.02301	0.6
149.06024	0.3
151.03859	0.5
152.04625	2.3
153.05510	0.4
155.06001	3.2
163.03810	6.3
167.06969	100.0
168.07275	0.4
171.06479	1.2
173.05914	16.7
177.01762	1.2
177.05399	0.4
181.04886	20.3
183.48109	0.3
201.05415	0.6
203.03418	0.4
205.08528	4.4
221.64146	0.3
228.78918	0.3
229.02678	0.4
233.08014	3.9
235.09604	3.3
287.05215	0.3
290.95798	0.4
295.05917	1.7
307.05957	0.6
321.07428	0.4
325.07065	1.9
337.07178	1.4
349.06757	0.4
375.08743	0.5
379.08176	0.4
387.14224	8.5
417.15149	5.9
457.11032	0.4
519.17395	0.5
579.20465	35.1
580.20581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
57.03368	0.4
61.02879	0.4
64.40877	0.3
65.03903	0.4
67.05457	0.4
68.99743	0.4
69.03394	2.4
73.02851	0.3
78.04644	1.6
78.08636	0.3
79.05447	0.7
81.03347	1.3
81.07017	0.3
85.02889	2.1
91.05455	1.1
92.08720	0.7
93.03345	0.3
95.04902	1.8
97.02822	0.5
97.06481	0.5
103.05387	1.3
106.04116	1.4
107.04900	1.5
110.03583	0.3
115.05422	2.5
117.06978	6.1
121.02786	1.7
123.04375	5.9
124.05152	1.6
127.03855	1.9
127.05392	0.4
135.04358	2.0
137.05927	0.4
139.03810	1.2
142.02524	0.4
145.02774	0.4
145.06445	9.8
146.39589	0.3
147.04344	0.3
147.08008	0.4
149.02301	0.6
149.06024	0.3
151.03859	0.5
152.04625	2.3
153.05510	0.4
155.06001	3.2
163.03810	6.3
167.06969	100.0
168.07275	0.4
171.06479	1.2
173.05914	16.7
177.01762	1.2
177.05399	0.4
181.04886	20.3
183.48109	0.3
201.05415	0.6
203.03418	0.4
205.08528	4.4
221.64146	0.3
228.78918	0.3
229.02678	0.4
233.08014	3.9
235.09604	3.3
287.05215	0.3
290.95798	0.4
295.05917	1.7
307.05957	0.6
321.07428	0.4
325.07065	1.9
337.07178	1.4
349.06757	0.4
375.08743	0.5
379.08176	0.4
387.14224	8.5
417.15149	5.9
457.11032	0.4
519.17395	0.5
579.20465	35.1
580.20581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96888	0.2
54.81348	0.2
56.96526	0.2
58.99811	0.4
69.03367	0.3
73.56222	0.2
77.00853	1.4
82.99796	0.4
83.21071	0.2
85.02854	0.4
87.77926	0.2
92.08674	0.5
95.01900	0.4
98.97538	5.4
99.44051	0.2
101.00841	6.5
114.36511	0.2
115.02374	0.5
116.98571	3.0
119.01877	26.7
122.44519	0.2
122.68161	0.2
127.02407	1.6
127.03867	0.3
131.00060	0.5
131.01826	0.8
133.03421	2.8
133.27013	0.2
134.99576	1.2
137.02901	6.1
139.02359	2.3
142.03458	0.2
143.00121	1.0
143.01851	5.7
145.03419	14.4
147.04922	0.4
149.01167	1.6
149.02859	0.3
149.79407	0.2
151.04433	0.3
155.00150	0.2
157.03415	33.4
158.99588	1.3
161.01161	1.3
161.02882	8.7
161.03963	0.2
161.04242	0.2
163.04474	4.5
167.02200	0.3
169.03389	0.5
171.04929	1.1
171.41368	0.2
173.01166	0.4
175.04462	19.0
176.04683	0.2
177.00642	0.8
179.02184	1.3
179.03645	0.2
180.04997	0.3
180.61314	0.2
181.05507	2.9
185.01166	0.2
187.04440	1.0
188.21472	0.2
189.05951	0.3
197.03165	0.5
201.06177	0.3
203.03905	0.3
205.05496	10.2
215.13197	0.2
221.03186	0.3
223.06554	44.0
224.06746	0.4
225.06425	0.4
239.04269	6.1
241.07585	18.4
246.08099	0.8
257.05368	1.6
265.04767	0.4
265.07587	10.8
266.07986	0.3
273.08276	0.3
277.07635	0.4
279.09125	8.2
279.12012	0.4
286.75723	0.2
291.09119	7.0
293.07037	6.0
309.04868	3.0
317.07108	0.4
319.08694	1.4
327.05963	1.4
335.08029	1.3
361.06094	0.4
379.06882	1.2
379.11032	1.6
387.13324	100.0
388.13663	1.3
397.07678	3.8
397.11978	1.2
403.10931	0.7
415.12817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01855	4.7
55.05475	1.6
57.03415	2.8
57.51857	0.5
61.02887	2.5
67.01512	0.5
67.01841	6.6
67.05460	2.7
68.99760	3.1
69.03407	11.5
69.07036	1.5
71.04936	1.2
73.02868	2.8
79.05444	4.3
81.03381	14.7
81.07008	3.8
85.02869	24.8
87.00792	10.5
91.03877	0.8
91.05428	3.8
93.06986	3.9
95.04919	2.7
95.08561	1.5
97.02853	9.0
97.06479	2.9
98.97567	0.7
99.04379	4.9
99.58764	0.6
103.05423	4.1
105.01804	2.9
105.07011	5.6
107.04908	2.5
107.08530	2.7
109.02843	8.4
109.06470	1.2
111.04398	3.9
115.05355	1.1
117.01806	1.3
117.06924	0.8
117.45979	0.6
119.04876	1.2
119.08500	3.1
121.10127	1.5
123.04359	2.9
123.11660	0.9
124.05137	0.9
127.03881	9.6
129.01848	0.8
131.04848	1.3
132.05644	1.2
133.06419	2.8
133.10077	2.8
135.04335	1.2
135.08064	0.7
137.05923	3.8
139.03848	0.8
139.07527	1.4
145.04942	3.2
145.06450	1.5
145.10059	1.1
146.03537	0.8
147.04356	2.6
147.07921	0.7
148.05132	7.3
149.05949	2.6
151.07494	13.4
153.01791	8.5
154.02119	1.1
159.02808	4.0
160.05164	2.6
161.05894	3.7
163.03821	3.1
163.07480	22.5
165.05405	3.5
165.09052	2.7
167.03328	100.0
167.06966	11.1
171.02841	3.2
176.04689	2.1
177.05418	3.0
177.08983	0.8
179.03331	5.3
181.04904	3.7
185.04375	21.9
191.06958	82.9
193.04852	10.2
197.04341	2.9
205.04890	5.9
205.08437	0.8
207.06583	1.0
209.04375	16.1
215.06987	0.8
215.96449	0.7
217.04929	0.9
219.06473	3.6
219.17441	0.7
229.04926	1.3
233.04358	5.6
246.14986	0.7
247.05739	0.7
257.04584	0.8
259.09741	0.7
275.05334	11.4
313.10693	0.9
330.10742	0.9
331.11624	68.9
332.12137	0.8
355.11807	0.8
368.12207	0.7
373.12411	1.1
379.06613	1.0
385.12701	2.5
386.13080	3.3
397.12640	3.5
413.52054	0.7
439.13449	3.3
503.14664	0.7
547.19464	4.9
579.23322	1.1
579.33215	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	579.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35971	1.9
57.03411	3.2
59.86818	1.6
61.02897	2.8
63.01296	1.8
68.99777	2.3
69.03403	66.0
80.34673	1.8
85.02882	8.0
87.49796	1.8
91.05487	2.5
97.02857	2.6
105.07006	3.6
106.75916	2.2
107.04896	4.0
109.02844	3.1
117.06945	2.1
119.04875	12.5
121.02821	71.0
123.04401	3.0
127.03851	3.7
135.04390	3.7
139.03900	2.3
145.02795	10.8
145.06342	2.6
149.05827	2.4
161.05894	3.1
163.03831	8.5
167.06944	24.2
173.05952	4.9
175.03833	3.3
177.01718	3.1
179.03432	3.1
181.04912	4.3
185.05887	2.4
189.01752	15.0
191.03354	12.9
195.02869	10.6
196.69472	2.4
203.03302	17.4
205.04950	4.4
207.02811	11.8
215.03308	3.4
217.04820	3.1
219.02792	11.7
221.04352	8.5
227.03458	2.5
229.04866	8.7
231.02921	2.4
233.04350	3.8
241.04884	3.9
245.04344	2.8
257.04324	10.7
259.05621	2.4
267.06522	2.5
268.07138	2.3
271.05969	2.3
275.05441	2.8
279.06412	9.2
281.07977	11.1
283.05783	12.1
293.07959	8.7
294.05078	41.3
295.05939	73.0
296.06555	3.3
297.07446	9.2
305.07974	3.5
307.05893	85.0
308.06650	27.0
309.07440	24.9
311.05701	2.4
313.07114	3.8
313.16293	2.1
319.05826	10.4
319.09366	3.0
320.06781	3.4
321.07462	51.7
322.08130	13.8
323.05627	6.3
323.09061	10.1
325.06961	53.6
331.09641	2.7
333.07358	21.8
334.08255	4.3
335.08948	22.6
336.06226	4.7
337.06894	92.0
339.08478	3.7
343.09735	14.8
345.07370	3.3
347.08890	19.9
349.06970	34.3
351.08536	31.5
355.07867	16.9
359.08966	11.1
361.06906	14.4
361.10754	4.3
363.08484	21.3
367.07983	12.1
375.08453	43.8
377.10077	13.5
379.08054	56.2
387.08426	34.0
389.10089	4.0
391.07928	19.8
393.09448	9.8
401.09976	8.8
403.08032	15.0
405.09573	50.8
409.09039	4.8
417.09299	4.9
421.08762	9.3
423.10577	45.7
427.09991	11.9
429.09491	15.2
435.11002	2.8
439.09888	10.5
441.11734	33.9
447.10501	14.7
457.11102	18.0
457.66605	2.7
459.10815	4.0
463.09726	4.1
471.10437	5.1
475.12231	21.4
481.11118	27.9
489.11346	10.9
499.12149	28.7
507.12589	17.4
519.17651	3.1
525.13763	100.0
543.14758	62.6
561.15540	21.0
579.17871	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	579.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.97502	0.8
57.03412	3.0
61.02894	3.4
65.03914	1.3
67.66534	0.6
68.01606	0.7
68.99748	0.9
69.03401	24.0
70.06599	0.7
71.04939	1.0
79.05358	0.6
80.42537	0.6
81.03354	1.3
81.07013	0.8
83.04962	0.8
83.56518	0.6
85.02884	5.9
89.06004	1.1
91.05428	1.1
93.03364	1.4
93.31561	0.7
95.04906	0.9
103.03893	1.4
105.03359	1.1
105.96927	0.8
107.04914	3.9
109.02802	0.9
111.04396	3.8
115.05390	0.8
119.04902	9.7
121.02820	37.9
123.04343	7.2
127.03861	4.6
131.04858	1.0
133.06438	1.1
135.04364	4.0
139.03830	3.0
145.02760	6.3
145.06479	0.8
147.04399	3.7
151.03723	0.9
160.44772	0.8
161.05913	3.0
163.03854	5.2
165.01779	1.2
167.06987	7.2
171.08141	0.8
173.02173	0.9
173.05925	3.1
175.03809	1.7
177.01796	1.1
179.03334	5.2
181.04922	3.7
187.03879	3.1
189.01761	7.4
189.05450	1.0
190.02530	0.9
191.03368	5.6
194.02083	1.2
195.02803	5.6
197.06006	1.2
199.03763	1.1
201.01758	1.1
201.05479	3.6
203.03342	13.1
204.04178	1.0
205.04910	3.2
207.02814	13.3
210.06715	0.8
213.05408	1.1
215.03334	2.7
217.04950	1.9
219.02808	7.0
219.06261	1.1
221.04401	5.2
225.03764	1.5
227.03337	0.9
229.04921	7.1
231.02794	1.4
231.06322	1.6
233.04407	5.0
241.04880	1.7
245.04359	1.1
247.05811	2.9
251.06871	1.2
252.07669	1.0
253.08453	0.9
255.02921	1.3
255.06326	1.3
257.04453	7.3
259.06058	0.9
267.06418	3.3
268.07175	6.1
269.04425	0.9
269.07916	1.3
271.05862	9.8
273.03915	0.9
279.06332	5.9
280.07162	3.0
281.07974	4.4
283.05838	7.7
284.06927	1.1
285.03854	3.1
287.05389	1.4
291.06311	1.8
293.08002	5.2
294.05130	17.2
294.08356	1.7
295.05908	64.1
295.09225	2.5
296.06671	11.1
297.07385	12.4
303.04816	1.2
305.07843	1.5
306.08517	1.1
307.05905	48.1
308.06638	18.7
309.03992	1.4
309.07382	13.2
313.06943	6.0
318.08865	1.2
319.05859	6.9
319.09372	2.8
320.06723	3.7
321.07462	37.8
322.08218	17.2
323.05508	1.9
323.08789	7.0
325.06934	100.0
329.07904	1.4
331.06009	1.1
331.09329	5.6
333.07407	9.1
334.08221	2.9
335.05350	3.5
335.09079	11.4
336.06070	3.5
337.06940	51.3
339.08658	1.2
345.07425	3.5
346.08286	3.1
347.04962	1.4
347.09012	17.8
349.06906	29.6
349.10934	1.5
351.04428	1.4
351.08481	28.2
355.08020	8.8
357.06903	1.4
359.09042	1.2
360.05951	1.1
361.06879	11.0
363.08438	5.4
365.06064	1.3
365.10001	12.9
367.07971	6.0
373.06671	1.5
375.08493	25.7
377.05963	1.3
377.10040	3.2
379.03067	1.4
379.07947	37.4
381.09601	3.0
387.08438	2.9
389.10120	1.8
391.07941	11.3
393.04736	1.6
393.09491	32.1
401.10165	3.7
403.07916	17.7
405.09644	10.5
409.08954	20.7
411.10580	21.3
419.10922	4.3
421.09061	11.4
423.10309	5.7
429.11798	5.9
439.10254	10.7
441.11630	10.4
447.10605	12.4
457.11105	35.0
459.12415	13.3
465.11661	19.3
471.10339	3.9
481.10831	3.7
483.12698	30.0
489.11401	4.1
495.12598	14.6
499.11844	3.1
507.12634	11.2
513.13849	18.2
525.13696	19.2
543.14832	17.5
561.15808	17.9
579.16742	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	579.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01133	0.5
53.20095	0.6
57.03390	0.7
60.95915	0.5
69.03407	2.5
70.63049	0.6
77.00866	3.4
85.02882	4.7
89.00893	0.8
95.01882	0.7
97.02842	1.2
98.97549	19.1
101.00837	16.2
115.02381	1.1
116.97820	0.9
116.98573	10.0
119.01875	65.0
120.01956	1.1
121.01600	1.2
127.02370	1.4
127.03880	1.5
129.02138	0.7
131.00107	0.8
131.01816	2.6
133.03435	5.5
134.99620	4.2
135.04300	1.0
137.02917	11.9
138.29073	0.6
139.02367	4.5
143.00117	3.3
143.01860	12.4
145.01686	1.2
145.03429	29.8
147.03108	0.9
147.04323	1.0
149.01141	4.2
149.02872	0.8
149.46555	0.7
157.03413	69.0
158.03632	1.3
158.99615	3.4
159.03172	2.7
160.83046	0.7
161.01155	3.4
161.02908	19.9
163.02594	0.8
163.04402	7.5
163.50606	0.7
167.02148	1.1
169.03346	2.3
173.01205	1.4
175.04459	41.7
176.04623	1.2
177.00609	3.0
177.04152	1.2
179.02194	3.5
181.05513	6.1
183.05016	0.8
187.04514	1.4
189.00674	0.8
197.03160	2.6
203.03954	1.0
205.05481	21.4
221.03304	2.5
223.06546	100.0
224.06731	3.1
225.06442	2.8
239.04330	20.0
241.07599	41.4
242.07986	0.8
245.05043	1.3
257.05432	5.1
263.09824	0.9
265.07608	12.4
266.07602	1.0
267.07452	4.9
279.09174	6.5
291.09140	34.4
293.07098	9.8
307.06635	0.8
309.04779	10.9
317.07108	6.3
319.08078	0.8
327.05856	3.8
335.08109	8.6
361.05960	6.2
362.09698	0.8
379.06998	18.3
379.11197	1.3
387.13324	74.5
388.13614	1.0
397.08060	48.0
403.11008	2.6
440.13220	0.8
441.12863	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	579.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99336	0.3
53.03920	0.5
54.29023	0.3
54.80530	0.4
55.01849	1.5
61.81438	0.3
65.03901	0.6
65.67663	0.4
67.01846	0.6
67.05466	0.6
68.99747	4.9
72.07144	0.4
72.47178	0.3
75.98907	0.3
79.05434	0.5
81.03381	2.7
83.55049	0.4
85.02861	0.5
86.47445	0.4
89.03864	0.7
95.04923	2.5
99.04412	0.8
103.05458	0.6
105.03373	0.7
107.04895	4.3
109.02840	4.1
111.00794	3.5
111.04419	2.9
115.05499	0.5
117.13312	0.4
119.04941	0.6
121.02797	1.9
123.04381	46.8
127.03867	100.0
131.04865	3.0
135.04362	37.5
137.02286	3.4
137.05940	0.6
139.03853	50.0
143.04866	1.0
145.02811	0.4
145.06412	0.7
147.04367	8.2
149.02289	5.4
149.05930	2.1
151.03854	8.3
153.06889	0.5
155.04849	0.9
157.06416	1.0
159.04385	4.4
161.02351	0.4
161.05905	4.2
163.03838	33.3
165.05434	6.4
167.03331	9.3
169.06465	2.5
173.05856	3.8
175.03815	4.3
175.07521	0.5
177.05405	6.0
179.03345	3.0
179.06938	0.7
181.04890	0.5
181.06415	0.8
183.04396	0.7
185.05846	1.5
187.03777	6.4
187.07526	0.5
189.05379	4.3
191.03323	15.1
193.04855	4.2
197.05907	4.5
199.07390	0.5
201.05405	7.5
203.03349	10.8
203.06894	1.7
205.04901	2.6
207.06516	1.9
213.05362	1.9
215.03310	1.9
215.06924	3.0
217.04866	1.7
219.06494	0.7
225.05322	0.8
229.04866	8.5
231.06351	0.9
233.04367	5.1
237.05406	0.7
241.04893	0.7
243.06436	5.3
244.22430	0.4
245.04396	6.4
247.05922	10.5
251.05443	1.6
253.04929	1.7
255.06557	3.0
257.04333	10.0
258.05121	0.5
259.05908	6.7
269.04364	2.5
271.05884	14.1
273.07425	0.9
275.05365	9.9
283.05960	6.1
287.05429	15.3
289.06912	8.0
291.08502	11.0
297.07150	0.4
299.05295	2.9
301.06995	7.6
303.08456	0.5
325.06772	0.6
359.83002	0.4
404.87717	0.4
409.09070	12.7
411.10760	2.2
427.10095	5.7
473.94324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1484
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.02341	0.5
55.01844	2.3
56.85578	0.4
65.03921	0.6
68.99752	3.7
77.03885	0.6
78.34096	0.5
79.05489	0.6
81.03373	2.9
85.02851	0.6
89.03880	0.7
92.08677	0.8
93.03387	0.9
95.04909	1.1
99.04401	0.8
107.04906	5.0
109.02851	3.6
111.00761	2.8
111.04400	4.7
117.03342	0.6
119.04968	1.6
121.02840	2.3
123.04388	46.7
127.03868	100.0
131.04869	2.3
135.04362	37.5
137.02307	4.7
137.05960	0.9
139.03854	57.1
141.06958	0.8
143.04811	0.5
145.06371	0.6
147.04349	8.8
149.02301	5.2
149.05948	2.4
151.03839	8.1
159.04402	3.9
161.05896	4.8
163.03841	38.2
165.05452	5.7
167.03329	9.4
169.06407	2.4
170.16020	0.5
173.05948	4.6
174.70598	0.6
175.03822	4.7
177.05432	6.6
179.03343	3.4
183.04318	1.1
185.05956	0.9
187.03809	7.7
187.05168	0.7
187.07465	0.9
189.05402	3.0
191.03320	12.2
193.04840	5.9
197.05888	5.0
200.04640	0.6
201.05385	8.2
203.03346	10.3
203.07033	2.7
205.04846	4.0
207.06517	1.0
209.06216	0.6
213.05368	2.2
215.03397	1.0
215.06973	3.3
217.04927	2.3
225.05307	1.1
229.04900	8.6
231.06458	1.1
233.04305	5.5
241.04933	1.0
243.06387	5.2
245.04341	7.0
247.05931	12.0
251.05362	1.0
253.04869	0.8
255.06366	2.2
257.04330	10.6
259.05872	5.6
269.04349	2.0
271.05893	16.0
271.08557	1.0
275.05328	8.8
283.05872	5.8
287.05402	18.4
289.06976	8.3
291.08453	8.1
299.05350	2.4
301.06943	8.2
303.08606	0.9
409.09030	13.9
411.10504	1.3
427.10052	5.3
471.93619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.9
55.01844	14.4
55.05246	2.4
55.05494	48.3
57.03418	36.3
57.07049	5.2
59.04980	3.1
63.87126	2.2
67.05482	80.6
69.07053	19.6
71.04960	10.3
79.05457	76.9
81.03403	18.1
81.07026	83.6
83.01288	18.1
83.04959	23.6
83.08586	28.5
85.06503	2.4
91.05444	36.9
93.07010	84.8
93.07590	4.6
95.04926	9.7
95.08564	61.8
97.06490	9.0
97.10121	2.8
103.47999	2.5
105.07011	27.5
107.04874	11.1
107.08559	39.0
109.06464	13.0
109.10112	17.7
111.04390	2.5
117.06983	13.2
119.08557	24.3
121.06464	2.9
121.10084	26.1
123.08040	12.3
129.06950	2.8
131.08533	12.9
133.10104	12.6
135.08093	3.4
135.11668	24.6
145.10071	25.3
147.11676	5.2
149.13237	3.4
163.11147	31.4
173.13219	3.2
202.49480	2.5
209.11629	5.5
231.46318	2.3
231.72098	2.4
243.21080	4.4
261.21997	13.5
283.15295	100.0
335.21970	4.1
335.25668	79.2
408.55957	2.3
543.36603	38.2
574.75391	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	579.1477
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
52.06356	1.0
54.52320	1.0
55.01841	1.9
63.63186	1.2
67.05477	1.4
68.99760	5.3
69.03400	7.8
79.05502	1.5
81.03388	1.6
85.02876	2.1
91.05453	1.4
92.62650	1.0
93.03374	1.8
95.04907	5.7
96.41919	1.0
103.05481	1.2
107.04903	2.8
109.02864	5.7
111.00767	2.1
111.04419	1.8
114.35563	1.2
117.60336	1.1
119.04896	9.0
121.02827	12.2
123.04385	100.0
127.03876	72.1
127.39685	1.1
135.04373	37.5
137.02299	2.5
137.05945	1.1
139.03853	35.5
143.04971	1.5
145.02800	1.2
145.06505	1.4
147.04367	16.6
149.02278	2.0
149.05916	1.7
151.03865	6.9
159.04355	6.2
161.05952	7.4
163.03851	31.4
165.04169	1.3
165.05379	8.5
167.03310	2.1
167.06949	13.2
167.78557	1.1
170.26501	1.2
172.62393	1.2
173.05916	8.8
173.07245	1.2
175.03822	4.5
177.05373	2.3
179.03371	6.3
181.04907	4.3
187.03827	7.6
189.01787	2.1
189.05324	2.0
191.03322	12.1
193.04962	5.9
195.02917	1.6
197.05882	1.4
201.05400	8.1
203.03354	14.6
205.04848	1.4
207.06465	1.5
213.05302	2.2
215.03258	1.8
215.06949	2.0
217.04887	5.3
221.04385	1.9
229.04849	11.3
233.04326	2.0
241.04918	2.0
243.06442	2.3
245.04366	11.9
247.05925	13.2
255.06447	2.4
257.04395	18.6
259.05884	2.4
269.04221	2.5
271.05869	14.3
275.05316	9.5
281.08099	1.4
283.05954	7.9
287.05386	29.2
289.07013	6.3
291.08609	7.8
294.05096	6.3
295.05911	18.1
296.06668	1.5
297.07349	1.6
299.05408	4.5
301.06857	4.8
307.05896	14.8
308.06711	6.2
309.07645	2.5
313.07095	2.0
319.05914	2.2
321.07565	9.0
322.08185	2.0
323.09042	1.3
325.06949	22.7
333.07397	1.3
333.92957	1.3
335.08905	1.7
337.07001	10.4
347.09201	2.0
349.06955	7.4
351.08548	6.2
355.07855	1.4
361.07043	2.3
365.09906	1.3
375.08377	8.2
379.08014	12.7
391.07785	4.6
393.09436	5.6
403.08096	2.7
405.09698	2.4
409.09033	26.0
411.10620	5.3
417.09653	1.3
421.09076	2.0
423.10458	1.9
427.10028	5.6
435.10471	2.8
439.10022	5.2
441.11591	1.9
447.10648	1.9
457.11105	9.4
465.11826	4.4
471.10898	2.2
475.12241	1.3
483.12637	2.6
507.12909	2.6
513.13318	2.0
525.13739	8.6
543.14722	4.8
552.57703	1.3
561.15332	5.7
579.20844	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
55.05479	6.6
57.03409	8.4
59.04972	3.6
61.02895	8.2
67.05460	6.5
69.03399	27.7
69.07033	9.1
71.04958	13.0
73.02888	2.0
79.05458	7.8
81.03370	9.7
81.07027	24.1
83.04943	1.5
83.80919	1.4
85.02872	100.0
85.06503	2.0
88.98741	1.6
91.03915	1.7
91.05424	7.0
93.06989	18.4
95.04934	3.6
95.08573	18.1
97.02847	27.1
97.06481	13.2
97.10099	2.7
99.04418	9.4
105.07003	16.1
107.04860	1.9
107.08548	23.0
109.02821	10.2
109.10117	9.8
116.10680	2.2
117.06957	1.6
119.08533	17.2
121.10088	13.4
123.04402	3.2
123.11651	2.9
125.09586	29.5
127.03855	26.9
127.11183	11.4
131.08496	3.2
133.10081	10.0
135.11633	16.1
143.10638	7.4
145.04897	20.6
145.10066	31.7
147.11630	3.6
147.69850	1.6
149.13199	6.4
153.01784	54.1
159.11620	7.9
161.13187	9.1
163.03813	5.9
163.05966	3.5
171.02803	24.4
173.13144	1.7
175.14792	3.1
179.03288	3.9
179.14296	6.2
191.17877	7.8
201.16357	9.3
219.17352	45.2
237.18410	9.3
259.09503	2.0
312.52213	1.7
325.11261	3.0
334.66745	1.6
385.12662	25.7
399.23688	3.4
548.59143	1.8
604.92517	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.1
55.05479	6.6
57.03409	8.4
59.04972	3.6
61.02895	8.2
67.05460	6.5
69.03399	27.7
69.07033	9.1
71.04958	13.0
73.02888	2.0
79.05458	7.8
81.03370	9.7
81.07027	24.1
83.04943	1.5
83.80919	1.4
85.02872	100.0
85.06503	2.0
88.98741	1.6
91.03915	1.7
91.05424	7.0
93.06989	18.4
95.04934	3.6
95.08573	18.1
97.02847	27.1
97.06481	13.2
97.10099	2.7
99.04418	9.4
105.07003	16.1
107.04860	1.9
107.08548	23.0
109.02821	10.2
109.10117	9.8
116.10680	2.2
117.06957	1.6
119.08533	17.2
121.10088	13.4
123.04402	3.2
123.11651	2.9
125.09586	29.5
127.03855	26.9
127.11183	11.4
131.08496	3.2
133.10081	10.0
135.11633	16.1
143.10638	7.4
145.04897	20.6
145.10066	31.7
147.11630	3.6
147.69850	1.6
149.13199	6.4
153.01784	54.1
159.11620	7.9
161.13187	9.1
163.03813	5.9
163.05966	3.5
171.02803	24.4
173.13144	1.7
175.14792	3.1
179.03288	3.9
179.14296	6.2
191.17877	7.8
201.16357	9.3
219.17352	45.2
237.18410	9.3
259.09503	2.0
312.52213	1.7
325.11261	3.0
334.66745	1.6
385.12662	25.7
399.23688	3.4
548.59143	1.8
604.92517	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.2
53.99973	2.3
54.81031	3.7
55.01858	4.7
55.05493	53.5
55.79081	2.5
57.03410	17.9
57.07044	3.9
59.04982	4.2
67.05479	88.8
69.07042	27.1
71.04951	13.3
79.05452	61.1
81.03371	23.7
81.07019	100.0
83.04948	5.5
83.08597	14.5
85.06509	4.8
91.05443	59.9
93.06992	67.2
95.04938	12.7
95.08560	72.4
97.06480	11.0
97.10123	15.6
105.06976	59.6
107.08564	38.8
109.06499	6.2
109.07315	2.6
109.10105	31.7
117.06979	20.2
119.08517	45.9
119.09187	2.9
121.10096	29.3
123.08021	3.6
123.11739	5.3
123.61095	3.2
125.09581	15.2
129.06923	21.3
131.08527	32.9
133.10071	24.4
135.08031	4.2
135.11653	12.6
137.09535	3.5
143.08534	21.5
145.10068	32.6
147.11649	16.1
149.09572	4.7
155.08524	4.2
157.10112	17.7
159.11652	15.1
161.13167	4.0
163.11111	3.7
169.10074	6.9
171.11623	15.3
173.13242	11.1
181.10023	4.2
183.11650	6.3
185.13254	3.3
187.14705	3.5
189.11205	5.1
193.12189	3.0
197.65720	2.9
199.14754	4.0
227.12718	6.5
242.91229	3.0
243.21066	3.2
261.22101	5.5
267.15857	14.9
301.25201	4.7
335.25766	13.6
417.30963	3.3
435.32358	15.4
449.02344	3.0
453.33707	5.2
527.37024	46.5
545.38086	39.1
559.39374	15.1
577.40765	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	576.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	15.3
55.58291	2.5
57.03421	26.3
57.07054	49.8
59.23175	2.7
67.05478	22.0
69.07037	14.0
71.08606	35.9
73.29437	2.7
79.05473	12.9
81.02944	5.9
81.03388	100.0
81.07032	25.0
83.08596	24.5
85.10164	16.1
85.50365	2.9
91.05447	21.1
93.07024	5.2
95.04942	31.2
95.08589	27.7
97.10144	3.4
105.07004	15.1
109.10145	15.1
119.08578	15.7
121.10107	5.0
128.67473	2.7
129.06935	4.4
131.08510	6.4
157.10081	7.9
175.11153	6.8
193.12225	17.5
267.15799	77.1
306.90350	3.7
313.27237	64.1
505.38678	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08709	0.2
53.03928	0.8
53.39768	0.2
53.49067	0.1
55.01868	0.3
55.05492	0.4
57.03420	0.2
57.07045	0.3
58.70320	0.2
61.02877	0.2
67.05480	0.4
68.99771	0.3
69.03397	1.8
69.07027	0.4
71.04959	0.4
77.74979	0.2
81.03384	2.1
81.07030	1.4
83.08561	0.2
85.02877	2.3
87.00772	1.5
88.54145	0.2
91.05421	0.2
93.07021	1.0
95.08548	1.4
97.02840	1.2
99.04443	0.3
105.07006	0.3
107.08547	0.9
108.05682	0.4
109.02853	0.4
109.10100	0.8
117.01830	0.3
121.06458	2.8
121.10114	0.3
123.04387	0.3
123.11696	0.2
124.24777	0.2
127.03866	1.4
132.05652	0.8
134.07234	4.1
135.04376	1.0
149.13252	0.3
159.02817	0.9
163.03856	1.4
198.01564	1.3
242.05655	0.2
256.07339	0.7
265.05029	0.3
268.07187	1.6
270.05182	1.0
271.05923	1.2
284.06683	1.7
285.07474	21.3
286.08084	1.1
287.05295	0.4
295.06052	0.3
296.06735	1.7
297.07449	4.9
298.04703	0.3
299.05447	1.4
299.51453	0.2
300.06213	3.0
310.28152	0.3
311.05667	0.3
313.06949	26.4
314.07724	19.4
329.10071	100.0
330.10312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01852	9.4
55.05498	38.2
57.03422	20.7
57.07052	7.4
57.16969	1.6
59.04975	3.3
62.10891	1.6
65.03928	4.5
67.05484	100.0
69.07044	29.4
70.91072	1.8
71.04970	15.6
78.31123	1.8
79.05462	67.4
81.03392	31.1
81.07025	95.0
83.04936	10.7
83.08588	19.8
85.06516	11.8
91.05450	60.5
93.07015	73.3
95.04938	19.4
95.08569	66.7
97.06513	11.0
97.10155	16.6
99.08041	2.1
99.35538	1.8
105.07001	62.3
107.04935	2.4
107.08575	39.2
109.06487	7.4
109.10130	31.2
111.08041	3.5
115.05431	3.0
117.06982	25.4
119.08546	50.1
121.10114	31.6
123.08053	4.6
123.11678	8.6
125.09599	9.4
128.06256	3.7
129.06964	26.3
131.08531	42.1
133.10094	36.2
135.08011	2.8
135.11636	15.7
135.65623	1.9
137.09605	2.4
141.06958	3.9
142.07764	2.8
142.54820	1.9
143.08521	22.2
145.10092	25.2
147.11636	30.1
149.09554	7.1
149.13239	4.2
155.08488	7.2
157.10022	13.8
159.11638	24.4
161.13223	10.9
163.11107	3.5
163.14810	2.3
169.10039	11.5
171.11658	12.3
173.13159	13.5
175.11130	3.9
175.14832	3.3
181.10051	3.0
183.11636	11.1
185.13182	9.3
187.14728	3.0
189.11157	3.9
189.12648	2.6
193.12303	2.1
195.11720	3.3
197.13239	4.4
199.14821	3.2
201.16425	2.0
205.10342	2.1
211.14827	2.6
221.13274	2.9
227.12802	9.1
261.21960	2.6
267.15778	17.4
285.21988	3.1
300.24368	2.4
301.25183	9.5
303.22928	3.4
335.25656	7.8
403.99237	1.8
435.32489	8.0
453.33566	8.3
471.34793	8.3
527.37158	57.4
545.38153	44.5
559.39319	9.3
577.40338	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	575.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.0
53.03927	0.8
55.01842	0.6
55.05491	5.5
56.96532	0.5
57.03401	0.6
57.07060	5.9
59.04962	2.0
61.02888	0.7
65.03918	0.7
67.05482	7.8
69.03390	0.8
69.07040	11.9
71.04949	1.2
73.02885	0.8
74.46855	0.4
77.41103	0.5
79.05460	9.1
81.03390	0.9
81.06548	0.6
81.07022	16.0
83.04937	1.1
83.08580	3.3
85.02853	1.0
85.06481	0.4
89.03887	6.8
91.05439	9.3
93.07008	32.1
95.04936	4.4
95.08566	14.8
97.02837	0.8
97.06467	1.8
97.10123	0.8
105.04398	0.5
105.06997	15.7
107.04905	2.5
107.08558	30.4
109.10121	9.4
111.04393	2.5
111.08023	0.8
117.03336	9.8
119.08540	15.1
121.10098	14.2
123.08022	0.6
123.11669	4.0
127.03874	0.6
131.08536	1.9
133.10089	9.8
135.04366	25.6
135.11629	7.1
145.01712	0.7
145.02817	19.3
145.03944	0.9
145.10104	0.8
147.11644	10.5
149.13197	14.5
151.11198	0.8
159.11536	0.7
161.13206	3.9
163.03844	100.0
163.14769	1.0
165.09183	0.5
174.13889	0.7
175.14781	0.7
181.04883	3.6
189.16348	0.7
203.17931	10.8
221.18948	5.5
259.46115	0.5
291.26779	0.5
295.84232	0.5
295.97092	0.5
309.27750	0.6
355.10080	0.5
359.11526	0.7
562.97754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	0.2
53.03918	0.2
55.01853	1.2
55.05497	0.4
57.03149	0.3
57.03418	7.0
59.04967	1.0
61.02657	0.2
61.02906	2.2
64.46526	0.2
69.03404	17.1
71.04960	1.1
73.02879	1.8
75.04475	0.4
77.03899	0.3
79.05437	0.4
81.03378	2.1
85.02876	27.8
87.04434	10.6
88.67554	0.2
91.03918	0.8
91.05449	3.6
93.07035	0.4
95.04942	0.5
97.02855	17.6
99.04414	1.7
103.05431	22.8
105.06987	1.9
107.04929	0.3
109.02824	1.7
109.57777	0.2
111.04440	0.2
115.03894	13.3
119.04909	4.3
121.06467	0.4
123.04396	0.5
123.08012	1.6
125.05999	0.3
127.03875	4.7
131.04884	100.0
132.05247	0.8
133.02800	0.4
133.04926	11.9
133.06453	1.2
135.04323	0.4
135.17381	0.2
136.05153	1.1
137.05962	2.8
145.03845	0.4
145.04926	7.2
147.04381	2.5
149.05991	0.4
150.06714	0.2
151.07509	5.0
153.05423	0.8
161.05939	0.4
162.06700	1.0
163.06033	3.5
163.07471	35.0
164.07896	0.3
165.05455	0.9
169.08514	0.2
173.05951	0.9
175.06100	0.2
177.05428	1.3
179.06979	6.8
191.07028	0.3
194.51541	0.2
197.08025	3.0
223.09599	1.0
241.06989	0.3
259.08029	1.5
263.14908	0.3
277.09006	0.3
295.10135	2.2
325.11130	2.2
327.12125	1.3
347.14844	0.4
359.14655	0.5
377.37161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.5
52.89460	0.6
53.03925	0.6
53.60101	0.5
55.01848	1.3
55.05478	0.9
56.12450	0.6
56.53997	0.6
57.03407	1.2
64.07758	0.7
66.06413	0.6
66.48460	0.7
67.05473	1.5
69.03401	2.7
70.06567	2.5
79.05451	4.4
81.03363	1.3
81.07012	4.1
82.07283	0.7
83.04954	0.7
85.02887	0.8
91.05442	16.1
93.07004	7.0
94.04110	0.7
94.34915	0.6
95.04926	5.0
95.08565	1.1
97.02833	0.9
97.06468	1.3
103.05424	5.2
105.03323	0.8
105.07001	7.3
107.04921	8.7
107.08558	1.2
109.02858	1.1
109.06474	1.6
109.10081	2.8
111.04337	0.9
115.05418	6.0
116.66360	0.6
117.06957	1.7
119.04895	11.5
119.08511	1.3
121.02837	0.7
121.06441	5.3
121.10110	3.3
122.03584	4.2
122.24222	0.7
123.04347	3.0
128.06158	4.0
129.06958	28.5
131.04874	7.3
131.08516	16.5
133.02798	4.4
133.06427	3.2
133.10164	0.8
135.04343	1.1
135.08002	3.4
136.05115	0.6
137.05931	61.7
141.06932	14.4
143.04855	3.1
143.08444	1.0
144.05626	1.4
145.02800	0.7
145.06436	6.0
146.03606	0.7
146.07214	2.8
147.04333	8.0
147.07997	1.6
147.11580	1.3
148.05154	2.5
149.05934	4.7
149.09644	1.1
150.06650	0.9
151.03835	3.6
151.04953	0.7
151.07501	25.1
153.06949	1.4
157.06441	18.5
158.07170	5.0
159.07993	12.6
160.05107	2.6
161.05923	47.3
161.09532	12.6
162.06618	3.2
163.07465	9.5
165.06854	2.7
165.09019	1.4
165.12691	0.8
167.07071	2.4
167.08501	2.9
169.06418	7.2
171.07887	1.0
173.05928	1.4
174.06699	27.9
175.07477	19.2
177.05394	0.9
177.08989	1.4
179.06990	3.8
179.08513	1.0
181.06453	1.6
181.08487	1.5
182.07164	1.0
185.05872	0.6
186.06712	6.4
187.07471	1.4
188.08229	0.9
189.09036	55.9
190.07657	0.7
190.09370	0.9
191.06987	2.4
191.08484	2.4
191.10504	2.4
193.06401	3.1
193.08235	0.7
193.10040	0.9
194.07216	3.3
195.07973	6.4
195.10097	4.3
201.09041	14.0
202.07710	1.0
203.08533	2.5
203.85629	0.7
204.07611	1.0
205.06383	1.4
206.07181	0.9
207.08025	2.6
207.10069	16.1
208.08679	1.0
209.05893	1.6
209.09637	1.5
210.06670	1.6
211.07428	3.8
212.08209	0.8
213.09071	1.0
217.08546	0.8
218.07193	0.9
219.08119	6.1
219.10078	100.0
220.08644	1.0
221.05975	3.3
221.09415	1.3
222.06656	2.7
223.07474	3.5
223.11189	1.0
224.08116	1.0
225.09006	6.8
227.06935	2.3
227.10577	5.5
231.07872	0.9
233.05908	1.3
234.06621	1.3
235.07513	2.5
237.09015	5.6
239.06891	1.7
239.10643	0.8
240.07697	3.3
241.08557	2.8
242.09351	1.0
247.07407	4.1
248.08163	1.5
249.09001	4.1
250.06157	0.9
250.09778	1.1
251.06941	2.5
251.10628	2.8
253.08481	11.4
253.12184	1.3
254.09236	1.2
255.06451	3.1
255.10037	4.1
256.07236	0.8
261.09055	0.8
263.10474	1.1
264.07666	1.5
265.08487	9.6
266.09201	1.1
267.10062	5.1
269.08017	1.4
269.11786	1.0
270.08804	3.0
271.09525	1.3
273.11252	0.8
277.08521	3.4
278.09210	1.0
279.10034	5.7
281.08035	1.4
281.11603	1.5
283.09534	1.6
285.11136	3.1
287.12564	3.4
291.09821	1.0
293.11377	0.7
295.09357	0.8
296.10312	3.1
297.11053	14.2
307.09586	1.1
309.11185	1.6
311.12469	6.2
313.14233	4.4
315.11981	1.5
321.10767	0.9
323.12656	3.3
327.11987	0.8
329.13693	12.6
331.15295	11.7
337.14301	1.4
341.13651	3.8
355.15262	9.2
367.15219	4.5
461.19489	2.7
479.20584	5.7
489.18637	0.7
491.20102	1.0
509.21399	3.2
552.39600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
59.38266	0.4
67.05469	0.5
67.12367	0.4
79.05467	0.8
81.07015	0.7
85.24702	0.4
91.05433	6.0
92.09303	0.9
94.04148	1.7
95.04929	0.5
100.54270	0.4
103.05418	2.0
105.06987	1.9
107.04910	2.0
109.06474	1.0
111.04411	0.5
115.05408	0.8
117.06986	0.7
119.04907	6.2
121.06458	0.7
121.69781	0.4
122.03590	4.5
123.04482	0.5
124.05121	0.5
125.32021	0.4
128.06187	2.6
129.06946	6.2
131.04872	2.1
131.08545	3.7
133.02806	1.6
133.06464	1.6
136.05197	0.6
137.05931	59.1
141.06921	3.4
142.07657	0.5
143.08542	1.0
144.05655	3.3
145.06441	2.6
146.03526	0.6
146.07211	0.5
147.04369	6.9
149.05905	4.6
150.06697	0.5
151.03839	0.6
151.07481	5.8
153.05457	0.5
153.06909	1.7
155.08501	2.2
157.06413	3.7
157.10089	0.6
157.86728	0.4
158.07254	0.9
159.07983	6.7
160.05113	2.1
161.05916	7.7
161.09595	1.9
162.06731	0.6
163.07387	0.6
165.06905	1.6
167.07162	1.1
167.08510	2.4
169.06387	1.6
169.07648	0.6
170.07155	1.6
171.07983	6.9
172.05168	0.6
172.08755	1.0
173.09579	1.9
174.06645	1.3
175.07472	10.9
177.05449	0.6
179.06885	0.6
181.06390	1.7
181.27869	0.5
182.07127	2.9
183.08017	2.2
184.08743	0.8
185.05949	0.9
185.09586	4.8
186.06696	2.4
187.07487	9.0
187.09001	0.6
187.11143	1.0
188.08247	0.9
189.09042	7.0
191.06935	2.7
191.08479	0.6
193.06439	0.6
194.07220	0.8
195.07942	0.7
197.05951	0.5
197.09550	4.6
198.06703	7.6
199.07422	5.1
200.08307	1.5
201.09062	6.0
203.08536	1.7
203.10648	1.0
205.08475	0.5
210.06613	0.9
211.07578	2.3
212.08206	2.7
213.09024	16.6
215.10582	4.3
216.09268	0.5
217.08455	1.8
217.10165	1.8
219.08003	0.9
219.10088	1.6
220.08774	0.6
224.08199	0.7
225.09044	7.1
227.10530	0.7
228.07587	0.6
229.10066	2.7
231.07962	2.4
231.10172	1.6
232.08740	0.6
233.09500	0.6
237.09081	0.9
243.07968	0.9
243.10066	13.0
244.08624	0.6
245.09586	3.1
245.11775	1.0
247.07474	1.0
248.08224	2.1
249.08899	0.7
255.10065	2.5
257.09521	2.0
258.10281	0.7
259.07355	1.0
259.11264	0.6
260.08258	0.6
261.06366	0.5
261.08963	2.8
261.11319	0.5
262.06171	0.5
262.09747	0.6
263.06915	0.6
263.10672	1.8
264.07654	0.6
265.08447	0.9
271.07513	0.7
273.11185	16.9
274.09784	1.8
275.10605	1.9
276.07706	2.5
277.08548	2.5
277.12137	2.6
279.06613	0.5
279.10040	0.7
285.08990	1.7
286.09863	0.8
287.10428	0.8
288.07776	0.6
289.08487	2.4
289.12143	2.8
291.10056	6.2
291.13199	0.7
292.07343	0.6
292.10504	0.6
293.08020	0.8
293.11276	1.0
295.09683	0.6
301.08517	0.8
301.11899	0.5
302.09332	1.7
303.10080	4.1
305.11642	2.7
306.08731	0.7
307.09647	5.5
307.12964	0.8
308.10397	2.2
309.11075	1.8
315.09943	0.6
317.11630	2.8
318.08688	0.6
318.12164	0.6
319.09418	1.9
319.13242	1.7
320.10443	1.8
321.11087	4.9
321.14417	0.6
322.11896	0.8
323.12631	2.2
325.10724	0.7
329.11615	0.6
331.09598	1.7
333.11087	2.0
334.12100	1.5
335.12732	3.1
336.13666	1.7
337.14227	0.9
339.12088	1.0
347.12546	0.6
348.13162	0.7
349.14297	4.6
351.12042	3.8
351.15814	0.6
353.13730	1.8
354.14514	6.7
361.14224	1.6
367.15274	5.0
379.15274	7.1
397.16306	100.0
398.16571	1.8
415.17517	0.7
419.13638	0.4
528.52173	0.5
541.52979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01862	0.5
57.03408	2.4
61.02890	0.9
69.03404	5.6
71.04952	0.3
73.02875	0.5
79.05469	0.4
79.64281	0.2
81.03374	0.5
82.94199	0.2
85.02872	10.8
85.15530	0.2
87.04436	3.8
91.05448	2.8
93.06975	0.3
95.04928	0.3
97.02851	5.1
99.04420	0.4
103.05426	25.5
105.06994	1.5
107.04871	0.3
109.02847	0.6
115.03880	4.2
119.04903	4.3
123.04388	0.5
123.08047	1.2
125.05936	0.3
127.03857	1.5
131.04877	100.0
132.05247	0.3
133.02826	0.4
133.04916	2.9
133.06435	0.8
137.05952	3.0
145.04912	2.3
147.04370	1.9
149.05916	0.3
151.07500	4.7
153.05443	1.6
160.28374	0.3
162.06731	0.3
163.07469	34.6
165.05386	0.5
166.84563	0.2
167.07008	0.5
173.05894	0.3
177.05408	1.3
179.06973	7.5
197.07985	3.2
223.09596	1.0
295.10214	0.4
325.11157	0.3
327.12238	1.8
359.14804	1.0
377.15570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
57.03419	1.4
59.98161	0.8
60.08146	1.0
63.06920	0.9
63.17525	1.0
65.03913	1.9
67.05479	2.1
69.03400	4.3
69.07025	1.4
79.05465	4.9
81.03371	6.6
81.07071	3.6
83.04939	1.6
85.02895	4.6
86.06062	8.5
91.05441	15.6
93.07019	2.6
95.04921	6.5
95.08559	2.5
97.02850	5.1
97.06515	2.0
99.04422	2.2
103.05422	6.4
105.06990	9.7
107.04926	4.1
107.08536	2.3
109.06484	2.7
111.04420	1.1
115.05369	4.2
117.06983	1.5
119.04907	13.0
119.08546	2.0
119.77888	1.0
121.02827	40.7
121.06450	1.6
121.10098	1.9
122.03589	6.1
123.04456	1.2
127.03873	1.5
128.06184	1.8
129.06964	12.7
130.04099	1.2
131.04889	8.4
131.08481	11.3
133.02831	5.6
133.06459	4.9
133.10088	2.6
135.04362	2.3
137.04877	2.7
137.05933	73.6
139.03847	8.3
141.06914	4.5
143.08525	2.6
144.05667	2.3
145.06438	1.9
147.04390	14.7
149.05957	6.0
150.06729	1.1
151.03868	15.6
151.04900	1.9
151.07501	7.3
151.30428	1.1
155.08501	2.2
157.06439	7.3
159.08023	9.6
160.05046	1.2
161.05869	12.8
161.09619	2.3
162.06653	6.4
163.03845	4.9
163.07466	2.1
167.06976	4.5
169.06351	2.2
169.07620	1.9
170.07248	1.7
171.07983	4.3
173.05913	1.3
173.09616	1.7
174.06667	9.6
175.07440	8.9
177.05411	1.8
185.05968	1.9
185.09592	5.0
186.06699	5.4
187.07489	7.7
189.08994	16.0
191.06871	1.9
195.07916	1.3
197.09540	5.0
198.06711	9.9
199.07468	2.3
200.08376	1.2
201.08978	6.3
210.06599	2.1
212.08153	1.5
213.09065	17.4
215.10617	4.5
217.08426	2.4
219.08133	2.5
219.10109	10.1
225.09015	8.6
231.07913	2.3
231.10091	1.6
237.09032	1.6
243.10028	12.2
248.08221	1.5
255.10175	1.6
258.10406	1.4
259.07553	1.6
261.08820	1.5
263.10492	1.3
265.06757	1.5
273.08835	1.4
273.11224	17.4
274.09586	1.3
278.09042	1.4
283.08020	2.8
289.08398	2.7
291.09991	4.8
303.10059	1.7
305.11621	1.9
307.09592	1.4
317.11575	2.4
319.09390	1.6
321.11017	4.2
333.11029	1.8
335.12582	2.4
337.14035	1.3
349.14304	2.8
351.11737	2.2
353.13660	1.6
354.14502	2.6
367.15198	13.1
379.15338	12.7
397.16312	100.0
398.09555	1.5
398.16306	1.3
415.17389	13.6
579.80127	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81096	63.9
60.01241	62.7
63.42933	76.0
67.05469	70.2
71.99829	76.8
73.52763	65.6
81.06980	93.4
88.16223	67.5
95.08556	99.9
117.44401	84.5
218.28802	100.0
319.82806	86.2
353.87335	87.3
401.02798	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3026
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.00290	1.6
55.05493	3.1
57.03413	11.1
57.07057	47.4
61.40736	1.4
62.62500	1.4
67.05483	10.5
68.64828	1.7
69.07031	3.9
71.08610	29.3
81.03382	3.7
81.07036	14.3
83.08603	8.5
85.10153	12.1
92.09377	3.7
95.08577	17.5
97.10160	2.4
98.98423	37.7
103.57599	1.8
109.02853	1.8
109.10107	3.7
116.99435	2.0
123.11655	2.2
127.25344	2.3
155.01003	20.6
168.44237	2.0
172.14317	1.9
301.11682	2.0
303.33545	2.1
313.27246	100.0
393.23599	2.1
427.20166	2.1
537.28351	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.6
57.03414	1.6
57.06785	2.8
57.07053	50.3
59.04990	1.7
59.81982	1.3
60.14410	1.2
62.86351	1.5
67.05480	2.3
68.11678	1.5
68.16066	1.5
71.08608	33.8
73.06525	6.8
81.03408	2.5
81.07028	6.6
83.08576	3.2
85.10154	31.1
87.04460	4.9
89.05466	3.3
89.05998	100.0
95.08565	2.0
97.10162	1.6
98.98414	7.2
99.11699	2.8
101.12506	1.8
107.07038	1.8
117.09055	3.5
119.08548	1.7
133.08568	33.8
141.16440	1.6
149.05888	2.5
177.11125	16.0
184.93437	1.6
185.18970	3.1
221.13722	3.4
229.21532	10.0
256.57156	1.8
273.24216	3.8
287.97824	1.7
313.27298	13.3
415.25116	4.0
555.40649	17.3
572.34637	6.0
572.43665	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	572.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81279	0.1
57.49386	0.1
59.42788	0.2
78.04671	0.4
79.05459	0.4
85.02869	0.8
91.05442	0.4
92.09251	0.3
93.06968	0.2
93.15611	0.2
95.98525	0.2
105.07000	0.8
106.04134	0.5
107.04903	1.2
121.06452	0.5
122.03613	0.3
123.04367	2.5
124.05145	1.1
133.06422	0.9
137.05937	4.5
147.07372	0.2
149.05936	0.7
151.03864	0.5
152.04680	1.4
167.06972	100.0
168.07336	0.7
179.06854	0.3
181.08498	0.9
193.08542	2.7
200.53879	0.2
204.02516	0.2
211.09584	11.0
524.65210	0.2
527.11108	0.2
529.18304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.0
55.01849	0.1
57.03411	0.2
61.02894	0.1
67.05460	0.0
69.03406	0.4
70.06554	0.0
71.04971	0.1
73.02876	0.0
78.04675	0.6
79.05450	0.6
81.03375	0.2
81.07019	0.2
85.02362	0.1
85.02870	1.4
91.03910	0.0
91.05434	0.4
93.03359	0.0
93.06996	0.2
95.04950	0.3
96.05698	0.1
96.80014	0.0
97.02845	0.4
103.05424	0.2
105.03313	0.0
105.04475	0.1
105.07004	0.5
106.04133	0.7
107.04906	1.1
108.07545	0.0
109.02827	0.1
109.06485	0.1
119.04881	0.1
121.06461	0.5
122.03613	0.1
123.04376	2.9
124.05174	1.3
125.05927	0.1
127.03849	0.2
131.04877	0.1
133.06439	0.6
134.03549	0.2
135.04349	0.1
137.05943	0.4
139.07408	0.0
140.04634	0.0
143.05904	0.0
145.04884	0.1
147.04324	0.1
149.05899	0.7
151.03825	0.5
151.07455	0.1
152.04636	1.2
155.06952	0.0
161.05914	0.5
165.09012	0.1
166.06204	0.2
166.83617	0.0
167.06969	100.0
168.04062	0.1
168.07300	0.4
177.09019	0.2
178.06152	0.1
179.06897	0.3
180.08641	0.1
180.26462	0.0
181.08517	0.7
189.08907	0.0
193.06711	0.1
193.08522	2.7
211.09570	10.0
212.09998	0.1
293.44925	0.0
495.58521	0.0
573.07855	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	572.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63743	0.1
53.03944	0.1
55.01836	0.1
67.05479	0.6
69.03398	1.0
69.07027	0.3
76.55526	0.1
77.92236	0.1
79.05458	0.4
81.03380	0.8
81.07020	1.7
83.04943	0.3
83.08613	0.2
85.02883	1.0
91.05450	0.9
93.06985	0.9
94.04156	0.9
95.04926	0.3
95.08561	0.7
97.00540	0.1
97.02848	0.3
103.05430	0.9
105.06996	1.0
107.04922	3.4
107.08546	0.8
108.26242	0.1
109.02850	0.3
109.06503	0.2
109.10100	0.3
111.04391	0.2
111.08054	0.2
119.04922	0.6
119.08553	0.7
121.06451	1.1
121.10098	0.7
122.03598	2.9
123.04413	0.3
123.11658	0.6
127.03873	0.7
129.05455	0.2
129.06975	0.3
131.04901	1.5
131.08572	0.3
133.10103	0.3
135.08000	0.7
136.11868	0.2
137.05937	100.0
138.06291	0.3
141.07115	0.1
147.11670	1.0
149.05913	0.2
151.07503	0.7
157.70430	0.1
161.05907	0.3
163.03868	0.2
163.07486	3.4
165.12654	0.2
167.05623	0.3
167.06955	3.7
167.08289	0.2
169.06487	0.2
174.06738	0.2
175.07503	0.2
175.77065	0.1
176.04654	0.2
177.05460	0.7
181.08531	6.5
183.08588	0.2
189.05423	0.3
189.09032	0.3
191.07040	0.2
195.10135	0.8
201.09067	0.2
213.09117	0.3
213.11156	3.1
219.10135	0.2
283.09662	2.0
300.49054	0.2
537.28821	0.2
573.26874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46972	0.2
65.93459	0.2
67.05460	0.3
67.72721	0.2
69.03410	0.3
69.53723	0.2
78.04678	1.3
79.05475	1.3
79.58250	0.2
81.07022	0.4
87.12560	0.2
91.05437	1.2
92.08695	0.2
93.07010	0.4
95.04926	0.4
103.05413	0.2
105.06973	1.1
106.04149	1.2
107.04901	1.6
109.10155	0.2
115.05399	0.3
117.06969	0.2
121.06464	1.0
122.03624	0.2
123.04393	4.2
124.05216	1.4
128.06213	0.2
129.06982	2.9
131.04892	0.2
131.08525	3.4
133.06432	1.0
134.03609	0.3
137.05939	1.6
141.06944	1.8
144.05719	0.3
147.04405	0.2
147.11572	0.2
149.05928	1.2
151.03860	0.8
151.07451	0.2
152.04649	1.5
157.06439	2.1
158.07211	1.0
159.08008	2.1
160.05170	0.4
161.05943	0.8
165.05475	0.3
166.06259	0.3
167.06979	100.0
168.07407	0.6
169.06451	1.0
170.07259	0.3
171.08029	0.2
172.81393	0.2
174.06711	5.6
175.07471	0.9
181.08537	1.1
186.06700	1.2
187.07486	0.3
189.09030	7.7
191.06998	0.2
191.10683	0.3
193.08595	2.5
201.09062	2.8
211.09605	3.1
219.10120	7.2
281.39468	0.2
297.32394	0.2
399.17764	0.2
429.18927	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	570.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37305	1.6
50.75237	1.6
51.97327	1.6
55.05493	8.5
56.62392	1.5
56.99257	1.4
57.06792	2.6
57.07060	70.4
58.39157	1.8
59.04975	1.6
62.22390	1.4
69.07040	11.6
71.08604	58.2
73.06512	8.3
77.81141	1.8
78.02550	1.7
79.05445	2.7
81.07019	2.9
83.08601	2.2
85.10155	33.4
87.04430	3.2
89.05471	4.2
89.06001	100.0
92.08675	4.5
93.07005	2.1
95.08528	2.5
99.11709	2.4
107.06992	2.9
109.10175	2.0
113.13263	7.6
117.09132	2.4
133.08551	43.0
177.11214	12.6
221.13795	3.0
243.28619	1.7
271.26099	2.6
285.35260	2.0
293.99063	2.1
315.28735	2.7
327.20047	3.5
337.58423	2.0
371.22647	15.6
378.91833	2.0
553.42560	29.9
570.45038	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	571.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46972	0.2
65.93459	0.2
67.05460	0.3
67.72721	0.2
69.03410	0.3
69.53723	0.2
78.04678	1.3
79.05475	1.3
79.58250	0.2
81.07022	0.4
87.12560	0.2
91.05437	1.2
92.08695	0.2
93.07010	0.4
95.04926	0.4
103.05413	0.2
105.06973	1.1
106.04149	1.2
107.04901	1.6
109.10155	0.2
115.05399	0.3
117.06969	0.2
121.06464	1.0
122.03624	0.2
123.04393	4.2
124.05216	1.4
128.06213	0.2
129.06982	2.9
131.04892	0.2
131.08525	3.4
133.06432	1.0
134.03609	0.3
137.05939	1.6
141.06944	1.8
144.05719	0.3
147.04405	0.2
147.11572	0.2
149.05928	1.2
151.03860	0.8
151.07451	0.2
152.04649	1.5
157.06439	2.1
158.07211	1.0
159.08008	2.1
160.05170	0.4
161.05943	0.8
165.05475	0.3
166.06259	0.3
167.06979	100.0
168.07407	0.6
169.06451	1.0
170.07259	0.3
171.08029	0.2
172.81393	0.2
174.06711	5.6
175.07471	0.9
181.08537	1.1
186.06700	1.2
187.07486	0.3
189.09030	7.7
191.06998	0.2
191.10683	0.3
193.08595	2.5
201.09062	2.8
211.09605	3.1
219.10120	7.2
281.39468	0.2
297.32394	0.2
399.17764	0.2
429.18927	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	570.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05597	1.0
54.74344	0.9
56.97766	1.0
57.07048	11.3
57.79840	0.9
58.06578	1.6
63.31724	1.0
65.63410	0.9
68.10309	0.9
70.06567	21.5
71.08585	1.5
81.07021	1.5
88.07600	21.9
91.18427	1.3
92.08667	2.1
92.95541	1.0
93.20359	1.2
94.87276	1.0
95.04899	1.2
102.09149	16.7
105.03355	24.0
108.30641	1.1
149.02301	17.9
149.05933	100.0
181.06458	2.4
193.04912	15.9
219.06493	1.2
250.41927	1.1
256.26227	49.2
282.54950	1.2
290.89511	1.1
297.07434	15.3
341.10083	62.7
394.97711	1.2
560.44244	1.3
570.34045	88.6
571.34064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.3
55.05460	0.3
56.04996	0.2
56.76724	0.2
57.03426	1.4
61.02892	0.2
67.05460	0.7
69.03397	1.2
71.04958	0.2
73.02882	2.0
79.05466	0.4
79.83148	0.2
81.03400	0.2
81.07008	1.0
84.08135	0.2
85.02865	1.2
91.05429	2.2
93.06998	0.4
95.04919	0.2
95.08578	0.3
97.02862	0.8
103.05438	0.7
104.05291	0.4
105.06981	1.5
107.04914	1.2
107.08546	0.2
109.10079	0.3
115.05428	1.8
116.06183	0.4
117.06970	1.4
119.08513	0.4
120.08024	0.3
121.06444	0.2
123.04411	0.3
123.11624	0.3
128.06175	3.1
129.06960	7.6
129.10150	0.2
130.07677	0.3
131.04913	1.3
131.08517	10.1
132.05661	0.2
133.06439	2.3
133.10080	1.1
137.05934	10.5
141.06937	3.6
142.07742	0.9
143.04883	0.2
143.08510	2.5
144.05650	4.5
145.06427	3.6
145.10051	0.3
146.07214	1.3
147.04361	0.8
147.07994	0.4
147.11699	0.4
151.03825	0.2
151.07486	0.2
153.06918	1.1
155.05980	0.2
156.05563	0.6
157.06444	5.1
158.07196	1.7
159.07988	17.7
160.05115	0.2
161.05939	1.8
161.09558	4.9
163.07471	0.8
167.06960	2.1
169.06412	0.8
169.07581	1.2
170.07207	3.2
171.07971	4.4
172.05153	1.7
173.05893	2.4
173.09554	0.5
174.06738	1.3
175.07484	2.5
178.06165	0.8
181.08594	0.6
185.05907	0.4
187.07471	13.4
188.08234	0.9
189.05392	0.9
189.09038	5.7
190.06133	0.8
191.06978	1.0
192.07764	0.4
193.08563	1.1
198.06761	1.2
199.07487	1.8
201.05403	0.3
201.08984	0.4
203.07001	2.6
204.07742	8.3
205.08412	1.5
206.09264	0.4
207.10191	0.2
216.07745	2.6
217.08492	0.7
218.09291	0.8
219.10068	3.1
221.08032	0.8
221.11641	2.0
231.10103	3.9
233.11578	1.6
234.08891	0.5
237.11235	0.9
249.11121	100.0
250.11385	0.3
251.12706	1.0
255.40520	0.2
267.12155	2.4
282.57379	0.2
355.24643	0.2
468.22571	0.2
521.63556	0.2
526.10602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
54.80973	0.2
57.03410	0.3
61.02891	0.3
69.03394	1.5
70.06539	0.3
73.78406	0.2
81.03382	0.5
85.02880	4.2
91.05441	1.1
95.04934	0.3
96.31522	0.2
97.02855	1.5
106.92876	0.2
107.04930	0.3
115.05383	0.2
116.06228	0.2
117.06947	0.5
127.03883	0.4
127.07535	0.5
128.06178	1.2
128.18355	0.3
129.06955	7.6
130.07698	0.3
131.04842	1.0
131.08519	9.3
137.05960	1.7
141.06946	6.2
143.04836	0.3
143.08430	0.6
144.05667	1.1
145.06491	0.9
146.07207	0.3
148.05109	0.4
149.05937	0.4
151.07431	0.4
157.06427	8.6
158.07225	3.2
158.29189	0.3
159.07997	8.7
160.05119	1.1
161.05913	0.5
161.09564	0.9
163.03799	0.3
163.07474	0.9
167.06944	0.4
169.06421	5.9
169.07680	0.4
170.07196	1.5
173.05931	0.4
173.09668	0.3
174.06706	19.6
175.07492	3.0
177.05464	0.3
177.08896	0.3
186.06699	4.7
187.07443	0.6
188.08261	1.4
189.09039	36.4
190.09612	0.5
191.10616	3.2
201.09035	14.7
207.10054	0.6
209.08017	0.5
219.10089	100.0
220.10466	0.5
237.11102	1.6
249.11316	0.3
542.72748	0.3
552.24866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65561	0.5
52.89372	0.5
53.03927	0.7
55.01839	0.9
55.05493	0.7
55.68878	0.5
56.46295	0.6
57.03408	0.7
61.02901	1.0
69.03416	4.4
71.04946	1.0
76.66518	0.6
79.05446	4.9
81.03381	2.7
81.07017	3.7
85.02868	11.9
86.73151	0.7
91.05444	7.8
91.48388	0.5
92.08665	1.3
93.07011	7.3
95.04907	4.5
95.08559	2.6
97.02853	4.5
97.06501	0.8
99.45831	0.6
103.05434	5.3
105.06983	7.1
107.04916	14.8
107.08562	1.3
109.02863	1.1
109.06490	1.4
109.10091	0.8
111.04370	0.8
111.08102	0.6
117.06967	1.4
119.04910	2.8
119.08546	1.2
121.06477	9.7
121.10057	2.9
123.04389	3.7
123.08014	0.8
123.11655	0.9
124.05168	1.3
125.05943	1.2
127.03899	1.2
128.06226	2.3
129.06958	9.8
131.04893	7.6
131.08533	5.4
133.06445	3.7
135.04337	0.8
135.07988	3.5
137.05959	7.3
139.11150	0.7
141.82640	0.7
144.05719	0.9
145.06444	2.9
147.04314	1.3
147.07965	2.7
148.05165	1.1
149.05956	5.4
149.09589	0.9
151.03848	2.5
151.07512	11.0
152.04634	2.4
153.05437	4.9
155.07004	1.2
157.06439	10.5
159.08012	1.0
161.05939	17.0
161.09532	5.3
162.06601	0.7
163.07463	12.0
165.06906	2.6
165.09013	4.9
166.06247	5.7
166.07521	0.9
167.06976	86.9
169.10017	0.7
171.08017	0.6
173.05917	1.1
174.06717	6.1
175.07512	5.7
177.06870	1.2
177.09052	6.2
179.06987	2.7
179.08495	0.7
180.09233	0.6
181.08528	37.0
182.07222	1.3
183.07967	1.0
187.07487	1.3
189.09045	30.9
191.06940	1.5
191.08524	1.0
193.06430	1.2
193.08493	4.0
193.10025	0.6
193.13977	0.6
195.07983	4.1
197.09566	5.1
199.07494	0.6
207.08134	1.1
207.10101	6.2
208.08754	1.2
209.05948	0.7
210.06721	1.3
211.07454	2.5
211.09636	3.5
212.08270	0.8
219.07935	2.3
219.10027	2.2
221.05840	1.0
222.06747	0.7
223.07463	4.1
223.11079	2.6
225.09044	9.8
226.09782	0.9
227.06960	2.6
229.12082	0.9
235.07458	1.4
237.09042	1.3
239.06961	1.1
240.07668	1.3
241.08537	2.8
247.07397	1.3
251.06934	3.1
251.10611	2.5
253.08525	6.4
254.09264	1.1
255.06430	1.4
255.10007	2.6
257.08115	0.9
257.11618	6.1
259.84637	0.7
265.08569	1.1
267.10144	0.9
268.07233	0.8
269.07828	0.8
269.11856	0.8
270.08792	3.2
271.13147	0.9
279.09998	3.0
281.08002	0.7
283.09518	5.7
283.13120	3.8
285.07916	0.9
285.11078	12.1
296.10306	1.0
297.11050	2.3
299.09042	1.5
299.12500	1.4
301.21442	0.8
302.11179	1.1
311.12714	3.4
313.10611	0.7
315.12283	7.3
317.13745	6.8
319.22516	2.7
329.13892	0.9
337.23740	1.1
343.15222	8.6
361.16327	100.0
362.16791	0.9
373.16470	1.4
437.55606	0.7
463.21564	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	570.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.6
69.03387	0.7
73.02869	1.8
80.17710	0.4
81.07018	0.4
84.86034	0.3
85.02857	0.8
91.05433	2.1
95.04886	0.5
103.05399	0.5
105.03370	0.6
105.06980	0.9
107.04912	0.8
115.05417	1.8
116.06174	0.5
117.06985	0.9
123.04390	0.4
128.06175	2.1
129.06970	7.2
131.04880	1.9
131.08516	8.3
133.06465	0.8
133.10066	0.9
141.06932	2.8
142.07712	0.5
143.08504	2.1
144.05627	3.3
145.02797	2.1
145.06451	3.2
146.07242	0.7
153.07005	1.4
157.06462	4.2
158.07214	0.9
159.07996	16.3
161.05902	1.5
161.09557	4.2
163.07466	1.7
167.06966	28.0
169.06325	0.6
169.07574	0.9
170.07213	3.6
171.07977	2.5
172.05074	1.6
173.05937	2.6
173.09569	0.8
174.06744	0.8
175.07448	2.1
177.05417	3.0
181.08473	0.5
187.07487	10.8
188.08159	0.5
189.09045	5.0
193.08495	0.5
198.06726	0.9
199.07458	2.0
201.05347	0.4
201.09052	0.6
203.06987	2.5
204.07735	7.3
205.08443	1.8
206.09293	0.8
207.10104	0.5
211.09587	1.7
216.07739	2.6
217.08424	0.8
218.09380	1.4
219.10051	3.4
221.08014	0.4
221.11555	2.8
231.10062	5.6
233.11636	2.7
233.59532	0.4
249.11121	100.0
250.11356	1.4
251.12642	2.0
267.12222	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	570.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
57.03408	0.4
59.59351	0.2
61.02893	0.5
69.03391	1.6
79.05474	0.3
80.23871	0.2
81.03383	0.5
85.02884	3.9
91.05451	1.4
97.02833	1.5
103.05457	0.3
105.07000	1.0
107.04904	0.6
115.05399	1.3
117.06969	1.1
119.04887	0.3
128.06189	2.0
129.06946	6.6
131.04874	0.4
131.08519	7.4
133.06451	1.2
133.10052	0.6
137.05933	1.6
141.06946	2.5
142.07716	0.9
143.04887	0.4
143.08519	1.7
144.05618	2.1
145.04819	0.3
145.06444	2.8
146.07205	1.2
147.04353	0.6
147.08006	0.3
151.07527	0.4
153.06895	1.1
156.05669	0.3
157.06444	4.1
158.07216	1.0
159.04237	0.2
159.07994	16.0
161.05916	0.5
161.09566	4.8
162.10002	0.3
165.09065	0.5
166.61443	0.3
167.06981	1.0
169.06291	0.4
169.07527	1.4
170.07208	2.9
171.07968	3.4
172.05112	1.5
173.05896	2.3
174.06657	0.5
175.07491	1.0
177.05380	0.3
177.06998	0.2
178.06224	0.4
187.07484	10.0
188.08168	0.6
189.05344	0.6
189.09009	5.7
190.06146	0.3
191.06905	0.3
198.06696	0.6
199.07443	1.3
201.05437	0.6
203.06912	1.6
204.06079	0.5
204.07759	7.5
205.08557	0.6
207.10062	0.4
216.07736	1.7
217.08495	0.5
218.09332	0.4
219.10045	2.6
221.07889	0.4
221.11520	2.0
227.08713	0.3
231.10069	3.9
234.08717	0.4
247.26787	0.3
249.11118	100.0
250.11444	0.5
266.62521	0.3
267.12192	3.4
292.24139	0.3
354.90417	0.2
468.40784	0.3
498.00497	0.3
511.32681	0.3
516.66290	0.3
543.18036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01854	4.5
55.05484	5.8
57.03418	13.5
61.02900	1.7
65.03909	1.4
65.38608	0.6
67.05473	9.5
69.03408	11.7
69.07055	5.6
71.04966	71.5
73.02876	4.0
75.04448	4.3
79.05459	6.7
80.02763	0.7
81.03388	17.4
81.07029	31.6
83.04948	10.4
83.08580	3.6
85.02877	77.3
85.06533	1.6
87.04443	1.7
91.05444	100.0
93.03380	1.1
93.07019	12.2
93.42081	0.9
95.04940	4.8
95.08574	9.3
97.02853	7.8
97.06506	2.8
99.04420	4.0
99.08044	1.5
103.05421	1.7
105.07003	18.8
106.04138	3.8
107.04919	5.1
107.08554	8.6
109.02845	12.5
109.06467	3.5
109.10131	1.2
111.04423	2.7
113.05991	0.9
117.05436	1.6
117.06995	1.0
118.55047	0.7
119.04877	1.6
119.08547	13.1
121.06485	8.4
121.10105	10.9
123.04388	8.7
123.08028	1.3
123.11668	15.3
125.05959	1.1
126.24326	0.7
127.03860	15.1
127.07481	1.0
129.05443	16.2
129.06966	2.6
131.04874	3.0
131.08528	1.6
133.06442	5.2
133.10110	1.3
133.60173	0.7
135.04402	0.9
135.08009	1.3
135.11652	1.5
137.05919	7.0
137.13234	1.0
145.04907	2.7
145.06294	0.9
145.10052	1.0
147.04355	1.0
147.06465	6.3
147.11644	39.6
148.05148	6.1
149.05927	10.4
149.09564	0.9
151.07510	1.8
153.05424	1.0
157.10052	1.0
161.05902	6.9
163.07501	1.6
163.11143	0.8
165.05460	1.6
165.09070	4.0
165.12688	18.9
167.03387	1.6
167.06978	61.5
170.41293	0.8
175.07451	2.8
175.11133	1.1
176.04596	1.0
177.05475	6.6
177.09026	7.0
179.06937	1.6
181.08537	4.3
183.13771	3.5
189.08987	1.4
191.06949	0.8
193.08525	5.3
193.12198	4.2
194.05699	8.2
209.08015	25.9
211.09578	3.7
229.05040	0.9
229.14282	21.9
237.02786	1.6
245.04730	1.0
245.07959	1.4
251.07047	0.9
269.08087	5.4
297.11005	0.8
309.11438	0.8
311.09128	1.5
319.15353	3.7
337.10455	1.7
337.16394	14.6
355.11752	1.5
355.17346	16.0
361.16354	4.4
371.10883	1.2
373.12756	2.8
373.18289	4.7
500.37680	0.9
580.24756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77090	0.8
53.03927	1.6
55.01866	1.1
55.12635	0.8
65.03916	11.8
65.61421	1.0
67.05479	4.0
69.03396	1.3
71.04954	1.4
73.02843	0.9
79.05460	6.2
81.03413	1.5
81.07031	3.9
82.04137	1.4
83.04948	1.4
85.02875	2.2
91.05431	11.9
91.76583	0.9
93.03368	5.7
93.07018	2.4
95.01287	2.2
95.04929	5.5
95.08537	2.2
97.06480	1.6
103.05428	1.5
105.07000	5.6
107.04917	7.8
109.02848	1.1
109.06478	1.6
110.03629	14.4
111.04398	22.0
115.05401	1.7
117.06982	1.1
119.04893	10.7
119.08566	1.2
121.02800	10.4
121.06464	4.2
121.10120	1.6
122.03637	1.2
123.04395	1.7
123.11664	1.2
125.05927	17.9
127.03823	1.6
131.04897	4.6
133.02800	1.2
133.06480	1.8
135.04379	2.1
135.07962	1.2
137.05931	19.4
145.06474	2.0
147.04390	6.4
149.02287	6.4
149.06000	1.7
150.06674	1.4
150.99220	1.0
151.03853	1.2
151.07500	8.3
153.05420	29.2
159.07982	1.7
161.05913	5.6
161.09592	2.2
162.06604	1.3
165.06935	3.6
165.09027	1.3
167.06982	23.3
167.08388	2.2
174.06764	1.2
175.07457	1.4
177.05409	1.3
178.07681	1.4
179.06946	1.9
181.06424	1.9
181.08551	1.4
182.07210	1.0
183.07878	1.1
184.05176	1.9
189.09010	1.2
191.08427	1.0
193.08536	6.6
194.07254	1.8
195.08026	6.7
197.05934	2.0
197.09512	1.9
205.06523	1.2
206.07231	1.5
207.08014	1.6
210.06699	6.4
211.07469	4.0
212.08200	2.0
213.09135	1.8
221.05891	1.7
221.09520	4.0
221.11459	1.3
223.07451	8.3
223.11046	2.0
224.08247	4.6
225.08995	5.8
227.06847	6.8
234.06580	1.9
235.07471	4.1
237.05356	1.5
237.09030	8.0
238.06146	4.3
238.09789	5.3
239.06905	7.2
239.10561	2.1
240.07689	15.1
241.08611	2.2
242.09093	1.3
249.09003	2.2
249.11232	2.3
250.09946	1.2
251.06915	6.5
251.10629	1.5
252.07724	5.2
253.08487	29.9
253.12350	7.5
254.09312	5.3
255.06479	5.4
255.10019	9.7
257.07993	4.3
257.13715	1.2
265.08554	4.0
266.05911	1.3
266.09314	6.1
267.06525	1.8
267.10059	7.8
268.07202	4.9
269.07907	5.0
270.08688	5.0
271.13251	1.5
277.08578	1.4
279.09955	1.7
280.07324	1.7
281.08026	6.3
281.11548	9.2
282.08862	4.1
283.06601	1.7
283.09540	13.8
283.12747	2.0
284.10342	6.5
285.11176	8.1
285.14474	2.6
295.09573	4.7
297.10941	3.9
298.11893	4.3
299.12579	9.5
309.11029	11.2
310.11874	2.2
313.10559	15.2
313.14252	5.5
327.12155	39.1
328.12881	4.1
331.15280	5.2
341.13599	6.4
359.14749	100.0
371.14664	5.7
440.72693	1.2
569.28845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.2
53.03919	7.1
55.01861	1.6
55.05489	6.7
57.03417	5.5
57.07043	1.3
67.05473	5.9
69.03394	13.8
69.07048	4.7
71.34247	1.0
73.02888	1.7
75.04459	1.9
76.83588	1.1
79.05463	24.7
81.03384	13.5
81.07027	12.2
83.04951	1.3
85.02881	15.0
91.05444	26.5
92.08634	2.2
93.07008	97.1
95.04914	6.7
95.08566	9.3
97.02854	8.9
97.06519	4.5
97.18587	1.3
103.05453	2.7
105.06500	1.1
105.07008	19.2
107.04919	12.8
107.08568	17.7
109.02827	2.6
109.10124	6.8
111.04381	1.4
111.08072	2.4
113.92790	1.2
117.06982	1.7
119.04905	29.8
119.08544	31.1
121.06457	7.4
121.10100	100.0
123.04379	2.5
123.08020	4.7
123.11636	1.6
127.03876	2.8
128.31294	1.2
129.06956	2.1
131.04839	1.8
131.08521	11.2
133.06537	1.4
133.10124	1.7
135.04376	1.5
135.08009	1.7
135.88997	1.5
137.05908	1.9
139.11105	2.3
145.04924	1.4
145.06404	2.0
146.84904	1.3
147.04373	35.0
149.07603	1.5
149.09573	27.2
155.08522	1.3
157.06422	1.2
159.04364	1.6
159.07991	5.6
161.09604	1.5
163.11223	1.3
167.06973	19.5
167.10637	10.2
173.05989	1.7
177.05367	2.0
179.08495	2.2
191.11726	1.6
192.32777	1.4
197.09538	1.6
209.09711	1.4
219.08160	1.7
221.09525	2.7
225.09108	5.7
235.07500	1.5
237.09044	2.2
241.08479	7.1
247.07512	1.6
249.08932	13.2
253.08456	7.4
261.08981	1.7
265.08478	8.3
277.08514	8.2
283.09683	2.1
290.09366	1.5
291.10153	6.2
293.11252	3.0
293.14136	3.4
295.09424	2.2
307.09372	1.7
315.09915	1.6
317.11560	1.8
331.09280	1.7
335.12723	1.5
349.10812	1.9
361.10464	1.9
389.17487	5.3
413.17422	2.5
431.18063	2.4
455.17493	1.6
497.19287	6.5
515.20087	6.3
531.29083	1.3
533.21173	6.5
551.22321	6.4
569.29120	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	569.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01847	2.9
57.03407	0.6
57.04840	0.5
67.05479	0.6
69.03413	0.5
70.70626	0.6
76.02199	1.2
78.04675	1.3
79.05450	3.3
85.02845	1.0
91.05442	15.2
92.09324	0.7
93.03353	3.7
93.06999	4.4
95.04934	3.1
97.06479	1.1
103.05428	14.6
105.07003	7.7
106.04137	9.6
107.04919	24.0
107.08601	0.5
109.06502	0.9
115.05386	2.4
117.06963	1.3
118.04121	2.3
119.04919	4.5
120.05669	1.0
121.06456	16.0
123.04401	2.3
124.05219	0.7
125.05943	3.3
128.06152	2.3
129.06960	7.1
130.94536	0.6
131.04877	13.1
131.08487	3.9
132.05670	3.6
133.02823	0.6
133.06468	3.3
133.10033	0.7
133.98563	0.6
134.03596	2.5
135.04385	1.1
135.07973	6.3
137.05917	7.0
143.08502	0.6
144.05783	0.6
145.02791	0.9
145.06406	0.9
146.07234	3.4
147.04318	1.2
147.08026	1.0
148.05121	6.6
149.05939	16.2
149.09583	0.6
151.02113	0.9
151.07512	3.6
152.04668	0.9
153.05424	2.2
153.09090	3.2
155.07019	0.7
157.06418	3.3
160.05135	2.3
161.05922	100.0
161.09541	26.7
163.03787	0.9
163.07475	26.9
165.05399	2.2
166.06195	1.1
167.06970	29.5
167.08403	1.0
174.06691	3.8
175.07504	7.8
177.05412	8.5
177.09111	0.9
179.06989	2.2
180.07707	4.6
181.08514	17.9
181.09985	1.0
189.09038	50.3
191.06956	13.2
192.07721	5.3
193.08563	1.2
197.09511	0.9
207.10106	52.4
209.08018	15.5
210.06677	0.6
211.49210	0.6
219.10020	2.6
222.06665	0.6
223.04153	5.2
225.09149	0.8
236.08029	0.6
250.09641	0.7
251.79958	0.6
257.11639	0.8
283.09683	0.9
285.11020	2.9
315.12097	0.7
317.13696	2.9
329.13766	1.3
331.15134	0.8
341.13791	2.8
343.15228	6.6
353.07254	0.6
361.16333	21.1
371.44144	0.6
373.16159	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	568.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81133	5.6
54.86345	4.9
55.05493	13.7
57.07051	11.1
63.99245	5.7
67.05476	15.4
69.07027	10.4
70.06543	6.2
71.08632	7.4
73.97990	5.2
79.05455	28.2
81.07034	49.6
82.53432	5.7
88.07613	10.0
89.38567	5.8
91.05431	46.4
92.17551	5.7
93.07014	68.8
95.04935	54.5
95.08574	37.1
102.09165	7.4
105.06988	79.4
107.08549	43.5
109.10120	14.2
114.42319	6.4
117.06996	44.6
117.39895	7.0
119.08530	100.0
121.10079	43.4
123.08008	8.3
128.06184	8.6
129.06941	28.0
130.07715	10.0
131.08514	48.0
133.10080	52.9
135.11662	12.2
142.07793	23.1
143.08456	46.2
145.10086	93.5
147.11606	11.8
155.08478	15.1
156.09341	8.3
157.10063	56.6
159.11618	47.5
169.10060	34.6
170.10770	6.4
171.11629	37.1
173.13220	15.2
175.01317	6.2
175.14778	10.4
181.10016	12.5
183.11665	32.3
185.13190	15.6
187.14769	9.6
191.14278	6.9
194.10815	6.8
195.11597	11.2
196.12413	7.0
197.13164	13.5
209.13184	28.2
211.14784	9.6
221.13187	9.9
223.14774	6.9
225.16322	7.1
235.14955	8.0
284.29410	26.3
311.29291	15.0
338.25912	30.9
430.32675	7.7
476.36151	29.0
568.42621	49.8
568.56763	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46496	1.1
53.00280	1.2
53.03927	2.1
55.05497	15.3
57.07041	6.5
57.37638	1.0
59.04972	1.8
64.32811	1.1
66.41393	1.1
67.05215	1.1
67.05485	17.8
69.03399	1.2
69.07040	10.5
79.05466	27.2
79.40694	1.3
81.07027	37.2
83.08587	5.7
85.06496	2.2
91.05443	49.0
92.06225	1.8
93.07011	57.2
95.04932	47.0
95.08566	25.5
103.05400	2.5
103.75037	1.4
105.06998	100.0
106.07806	2.4
107.08559	45.3
109.06475	7.0
109.10119	15.0
115.05408	6.5
116.06192	2.4
117.06965	32.1
118.07750	1.5
119.08540	91.9
119.45847	1.3
120.09315	5.4
121.06441	2.0
121.10106	29.3
123.08016	14.2
123.11641	5.4
128.06128	10.9
129.06961	24.1
130.07755	11.8
131.08516	57.0
132.09283	7.7
133.10088	55.6
134.10838	1.8
135.08041	5.5
135.11633	14.5
137.09554	5.3
138.10323	2.9
141.06937	9.1
142.07745	21.5
143.08522	51.9
144.09308	15.6
145.10080	85.0
146.10838	6.4
147.11644	18.3
149.09509	2.6
149.13206	2.0
151.11131	1.9
153.06929	2.9
154.07727	3.2
155.08516	21.1
156.09293	19.5
157.10077	48.1
158.10867	11.8
159.11646	32.9
160.12389	1.7
161.09569	5.1
161.13173	7.6
165.06895	5.6
167.08511	11.5
168.09271	9.1
169.10077	22.9
170.10863	8.7
171.11624	31.1
172.12469	1.8
173.09660	1.7
173.13213	24.0
175.14737	9.8
177.12691	3.2
179.08488	10.8
180.09258	2.4
181.10066	19.1
182.10869	12.0
183.11641	27.5
184.12416	5.6
185.13184	19.9
186.13930	2.9
187.14769	7.5
189.12595	3.2
191.14264	6.7
193.10072	12.8
194.10847	9.3
195.11636	13.9
196.12408	5.5
197.13194	22.8
198.13969	2.5
199.14752	9.2
201.12669	2.7
201.16272	3.1
203.14172	2.1
206.10861	6.4
207.11577	11.1
208.12332	4.7
209.13203	23.6
210.13956	1.6
211.14682	13.4
213.16283	3.2
217.15804	2.6
220.12343	1.6
221.13072	10.0
222.13911	2.4
223.14713	10.3
225.16318	5.5
226.17213	1.6
233.13240	3.3
234.13799	1.7
235.14714	6.1
237.16286	7.7
239.17816	5.1
241.19427	2.0
245.13243	1.7
247.14558	2.1
249.16249	2.6
250.41510	1.6
251.17711	2.5
255.17317	1.5
259.20355	1.4
263.17847	3.2
265.19504	1.9
277.19580	2.3
284.80353	1.8
323.23557	5.0
337.25299	1.5
338.25882	32.1
430.32202	12.3
476.36337	20.5
568.42426	38.9
568.56458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44772	2.6
52.95022	2.6
53.03923	6.4
53.07428	2.7
54.80770	3.3
55.05490	27.9
57.03427	6.5
57.07058	18.2
61.02918	3.1
66.97398	3.1
67.05495	35.3
69.03409	41.5
69.07045	35.0
71.04960	13.2
71.08597	8.0
72.48805	2.9
73.02895	4.6
74.90012	3.0
75.52573	2.9
79.05454	5.8
81.03398	24.7
81.07026	63.2
83.08581	33.4
85.02876	100.0
87.00800	53.5
91.03899	3.6
92.08626	6.3
95.08572	37.3
97.02856	30.6
97.10125	17.0
99.04404	5.4
105.01225	4.6
105.01834	42.2
105.07026	5.1
108.05840	3.2
109.02850	26.5
109.10139	26.3
111.11686	13.3
123.11652	7.1
127.03873	50.7
145.04944	8.1
150.79869	3.4
155.66351	3.6
159.02817	4.2
191.37971	3.7
231.04938	14.5
240.79025	3.1
249.06015	5.3
260.02405	3.8
267.26993	3.8
285.27841	32.2
375.28522	5.1
517.53027	4.3
527.33582	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	568.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18037	0.2
55.01854	0.4
55.05492	1.3
55.18969	0.2
57.03418	1.5
58.53489	0.3
59.04981	0.5
67.05483	1.2
68.99774	0.5
69.03408	5.6
69.07049	1.8
71.04971	4.9
73.02880	0.5
73.06534	0.6
79.05445	2.1
81.03387	1.9
81.07030	7.2
83.04961	0.5
85.02882	8.9
85.06495	0.3
87.00803	33.4
87.04443	3.0
88.16683	0.3
90.02287	0.3
91.05443	1.7
91.13623	0.3
92.09418	0.6
93.07016	5.9
93.90066	0.3
95.04934	0.8
95.08582	2.0
96.72957	0.3
97.02858	100.0
97.06480	0.4
99.04406	0.7
99.48292	0.3
105.01835	12.8
105.06986	2.0
107.04900	0.7
107.08570	6.1
108.23224	0.3
109.02855	0.4
109.06483	1.7
109.10155	1.3
110.36696	0.3
113.02312	0.3
115.03889	2.0
119.08552	0.8
121.06489	0.6
121.10106	1.9
123.04395	0.4
123.08009	0.4
125.09667	0.4
127.03869	0.5
129.05461	0.4
131.04906	0.5
131.08595	0.5
135.11658	5.9
137.09558	0.3
139.07483	0.3
145.04944	0.7
145.06540	0.4
145.10153	0.5
153.12700	19.8
161.09625	0.4
163.07449	0.4
165.12724	0.4
167.06985	0.5
176.32886	0.3
184.07219	0.4
201.03889	21.2
219.04936	6.4
225.03897	0.6
249.14709	0.5
250.68394	0.3
315.17880	0.4
335.14841	2.1
335.22003	0.4
345.08066	9.2
353.15582	1.0
353.22839	0.4
363.09106	5.2
371.16791	1.4
421.53027	0.3
483.71378	0.3
523.72729	0.4
537.87689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
54.47348	0.4
55.01847	1.3
55.05501	0.7
57.03412	1.0
61.02905	3.6
65.03907	0.8
67.05483	1.3
69.03397	7.0
71.04952	1.1
73.02878	0.9
79.05453	5.0
81.03387	9.7
81.07030	3.8
82.97108	0.7
83.04977	0.8
85.02874	23.1
87.04433	1.0
91.03957	0.9
91.05459	5.4
93.07023	3.0
94.04173	1.1
95.04921	3.1
95.08574	1.4
97.02850	7.4
99.04399	0.8
103.05432	5.9
105.06996	3.7
107.04932	10.0
107.08578	1.2
109.06487	1.5
109.10129	1.4
111.04369	0.9
115.05389	9.7
117.06983	14.8
119.04882	3.0
119.08519	2.4
121.06465	0.8
121.10085	2.4
122.03608	4.0
123.04398	3.8
123.08034	0.6
124.05181	2.5
125.05919	1.3
127.03877	2.8
128.06200	2.6
129.06943	8.1
131.04875	6.5
131.08525	4.0
133.06450	2.5
135.04425	1.0
135.08060	0.8
137.05933	100.0
140.04738	0.7
141.06953	1.2
143.04878	10.1
144.05673	3.9
145.02794	0.7
145.04953	3.0
145.06436	34.1
146.07059	0.6
147.04398	2.8
147.08041	4.0
149.05928	0.9
151.03873	2.5
151.07469	0.9
152.04668	0.9
153.05472	3.2
155.05989	4.1
156.05640	6.4
157.06412	7.4
159.08022	6.1
160.05128	16.2
160.06439	0.7
161.05870	6.9
161.09456	0.7
163.03859	3.2
163.07497	2.7
167.03450	0.9
167.06970	36.7
172.05145	4.3
173.05911	44.9
174.06787	2.3
175.07481	83.2
176.07956	0.8
177.05408	2.3
179.07014	3.9
180.08577	3.3
184.05132	1.1
184.45146	0.6
185.05975	0.7
187.07478	35.9
189.09004	7.4
190.06192	18.6
190.07858	1.4
191.06970	2.3
192.52774	0.6
193.08540	2.6
202.06198	2.8
203.06892	5.0
203.08606	0.9
205.08534	53.0
217.08531	33.9
217.10138	0.9
219.10027	1.5
233.09563	0.9
233.71461	0.7
234.06775	0.8
235.07440	1.6
235.09538	27.3
239.07097	1.4
241.08525	3.5
247.09552	5.5
249.09027	4.3
260.08240	0.8
261.08914	4.7
263.06973	0.8
265.08057	1.3
265.10617	20.7
266.09225	0.7
269.08078	1.2
277.08533	2.3
278.09274	1.4
280.07220	0.8
285.07516	4.0
293.11551	2.8
300.09891	3.9
301.10577	1.2
306.08835	1.0
309.11118	3.4
313.10660	1.0
321.11032	5.4
326.11252	1.1
338.11453	1.1
339.12411	0.7
341.09982	2.4
341.13708	4.8
353.13818	9.4
353.23032	1.0
371.14752	17.6
385.68097	0.7
587.65332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43924	0.7
55.02108	0.7
55.05493	1.7
56.96544	0.9
57.03419	1.6
59.04974	0.7
63.93260	0.7
67.05481	3.3
69.03408	1.0
69.07052	3.1
71.04990	0.9
73.85754	0.7
79.05455	4.1
79.18979	0.8
81.03400	3.2
81.07006	7.5
83.08614	1.0
85.02872	2.9
91.05452	3.9
92.08683	1.5
93.07039	3.2
95.04916	1.3
95.08582	1.9
97.06502	5.4
98.06832	0.9
98.97513	1.2
101.88300	0.8
104.58437	0.8
105.07018	3.2
107.08548	1.7
109.02886	0.8
111.68401	0.8
119.04880	0.8
119.08562	3.9
121.10139	2.7
123.04391	4.0
129.07024	1.0
131.04854	1.0
131.08551	1.6
133.10115	1.1
134.13301	0.8
135.04358	1.4
137.02295	3.6
138.02649	1.0
144.41560	0.8
149.09584	1.3
157.10114	1.9
163.03873	5.0
164.04276	1.2
166.05702	0.9
191.03343	17.4
192.03699	8.3
193.12135	1.1
201.09047	1.7
202.09550	1.0
233.11397	1.0
283.15088	17.4
301.06879	1.8
302.07071	0.9
339.17728	7.6
422.13058	3.6
440.13815	1.2
505.27414	1.2
511.11780	0.8
539.47998	0.8
567.31500	100.0
568.32117	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	567.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81277	1.1
56.96508	1.5
65.02022	0.9
67.05475	1.2
69.03395	1.0
75.09290	1.2
75.99658	1.0
76.72563	1.1
79.05450	1.2
81.07043	1.8
83.36253	1.1
91.23920	1.2
93.07021	1.2
95.08534	1.7
107.08539	1.6
109.54285	1.1
115.02651	1.3
119.08524	1.7
131.08533	1.8
145.10075	1.4
272.14566	1.5
335.26105	1.3
359.82678	1.2
507.30725	8.3
547.31830	1.5
567.32733	100.0
568.32800	4.5
585.33575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50274	0.4
51.63375	0.4
55.01846	2.7
55.05498	0.7
55.37204	0.4
57.03408	0.6
57.07033	0.4
60.27421	0.4
65.03873	0.6
67.05467	2.1
68.18990	0.5
68.99754	2.2
69.03401	1.7
69.07030	2.0
69.32968	0.4
71.38802	0.5
75.19015	0.5
75.20527	0.5
79.05473	3.7
81.03383	2.9
81.07040	4.6
83.05004	0.6
85.02865	2.8
89.03862	0.5
91.05453	4.4
93.03349	0.5
93.07005	2.3
95.04922	2.5
95.08562	2.9
96.90379	0.4
97.02885	0.8
97.06509	3.8
105.06973	2.5
107.04932	4.3
107.08540	1.7
109.02843	0.5
109.10121	0.6
115.05402	0.5
117.03350	0.9
118.16555	0.5
119.04908	4.1
119.08546	2.0
121.02797	1.0
121.10110	0.9
123.04388	30.1
123.11703	0.7
125.09569	0.4
127.03896	0.8
128.06169	0.7
129.06982	1.0
131.04887	2.1
131.08546	0.9
133.06438	0.7
133.10075	0.7
135.04373	13.8
135.07954	0.5
137.02280	1.9
137.05937	0.9
139.03868	8.4
143.04860	1.8
143.08492	2.3
145.02794	2.8
147.04375	14.0
149.05916	1.0
151.03857	3.1
151.07460	0.8
153.05284	0.5
157.06442	1.1
159.04408	0.6
160.05150	4.3
160.89635	0.5
161.05914	12.6
161.13191	0.5
163.03851	19.6
165.05443	4.7
165.06651	0.6
167.03322	6.4
167.07045	0.7
167.08426	0.9
169.06468	0.6
171.08009	1.1
173.05817	0.6
174.06734	0.8
175.03865	2.3
175.07529	4.0
177.05508	4.1
177.06772	0.7
177.09061	0.9
179.03316	3.2
182.54218	0.5
183.02840	2.7
185.05878	0.5
185.09544	1.1
187.03879	2.6
189.05391	2.1
189.09056	13.5
191.03331	100.0
192.03719	0.6
193.04909	1.0
195.07964	0.8
197.06006	0.6
199.03833	0.7
199.07524	0.5
201.09094	1.7
203.03255	3.2
203.10605	1.1
205.04892	1.8
213.09058	2.1
215.03270	0.9
215.06885	0.6
215.10567	0.6
217.04944	0.6
217.08556	0.7
221.04358	3.3
225.05287	0.7
225.08955	0.7
229.04883	0.9
231.10066	8.1
233.04297	1.8
241.08492	0.6
241.12224	0.6
259.09564	12.4
279.06418	0.7
279.10260	0.5
283.05939	0.5
291.08408	0.9
301.07013	2.1
307.06024	0.8
317.09958	0.8
318.10605	0.7
325.06964	6.6
327.12015	0.7
333.11075	0.7
337.10565	1.7
337.14267	2.0
338.14642	0.8
339.15793	0.8
343.08017	30.8
351.12262	0.6
361.10519	0.6
373.16003	0.7
379.11633	5.1
391.11484	0.6
397.12683	12.5
405.11566	2.9
409.12637	0.7
513.14941	0.6
525.31903	0.8
531.16022	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	565.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42284	2.5
54.81595	2.4
55.01852	13.4
61.02881	2.5
62.82730	2.3
68.99784	3.0
69.03405	5.0
83.53928	2.5
85.02873	12.8
94.63633	2.8
107.04858	2.9
119.04926	19.9
121.02814	51.1
123.04385	5.1
133.02841	5.1
139.03999	2.5
145.02783	14.9
147.04283	3.2
151.03845	6.4
159.04225	3.2
163.03857	15.0
165.01788	11.0
177.01779	3.5
177.05460	2.6
179.03362	3.3
183.02774	4.1
187.03780	4.7
189.01813	13.9
191.03255	3.7
195.02780	15.9
201.05377	3.3
203.03336	22.1
207.02730	6.6
215.03267	10.2
217.04803	10.3
221.04318	11.8
229.04784	3.5
231.02785	3.6
267.06393	5.2
271.05890	4.9
279.06326	12.4
281.07925	13.8
283.05862	55.8
284.06686	4.4
293.07944	6.0
294.05035	11.8
295.02469	3.3
295.05890	100.0
296.06421	5.2
297.07361	20.7
306.08932	2.8
307.05960	63.9
307.09369	4.8
308.06665	15.1
309.04111	5.2
309.07404	50.5
311.05417	3.8
313.06931	30.3
317.07990	6.6
319.05942	4.4
320.06735	11.8
321.07462	86.8
322.08102	6.7
323.05396	3.7
323.09024	4.6
325.06979	71.0
333.07520	33.5
335.09033	35.8
337.06882	79.1
345.07413	18.8
347.09048	6.1
349.06924	86.6
351.08472	28.6
355.08054	6.3
359.09094	4.5
361.06985	30.9
361.10797	4.9
363.08438	32.9
367.07996	51.0
373.06641	18.3
375.08539	14.2
379.08075	62.3
385.09012	13.1
387.08505	5.8
391.07925	59.3
403.08661	15.4
409.08990	59.4
415.07941	19.8
417.09473	4.2
421.09048	4.3
427.10123	69.0
433.08807	20.8
445.09659	5.6
451.10217	4.7
457.10715	10.1
463.09622	4.3
469.10834	3.0
475.10919	12.9
481.11096	34.7
493.11127	10.9
499.12173	32.4
511.12045	78.5
529.13397	43.9
547.14270	24.4
565.15350	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	565.154
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
53.86337	2.5
55.01858	5.2
56.14134	2.5
61.02895	5.4
61.22325	3.4
68.42497	2.7
69.92503	2.9
90.28848	3.2
119.04865	6.8
121.02819	56.2
141.31180	3.0
145.02849	5.9
177.01738	3.5
189.01740	10.7
191.03325	4.1
195.02808	13.2
203.03331	21.3
207.02837	11.6
207.43199	3.4
214.84570	3.0
215.03416	5.0
217.04948	4.0
217.52766	3.1
221.04376	6.8
221.75342	3.4
241.04883	4.9
253.04956	3.5
268.07281	5.4
275.92813	3.6
277.08624	3.5
279.06299	3.4
281.08090	3.4
283.05811	5.7
294.05136	20.7
295.05920	100.0
296.06686	6.0
297.07556	10.5
307.05945	48.8
308.06589	24.7
309.07413	22.2
317.07877	3.7
319.05829	4.1
320.06787	7.8
321.07458	73.0
322.08054	16.5
323.05295	3.9
323.08990	3.9
325.06931	52.7
329.08154	4.1
333.07501	40.5
335.09000	32.7
337.06854	52.0
339.08481	4.4
345.07520	27.5
347.09335	5.2
349.06924	73.9
351.08359	28.2
355.08160	3.4
361.06909	37.0
361.10696	5.0
363.08606	21.8
367.07956	5.2
373.06842	14.5
375.08401	17.3
379.08023	50.4
387.08194	7.3
389.10413	4.8
391.08090	55.7
403.08032	15.7
409.09006	56.5
413.23520	3.6
415.07764	17.0
421.08545	4.8
427.10162	68.5
433.09018	19.7
445.09073	6.9
457.10446	4.8
463.09787	5.7
475.10693	5.0
481.11215	29.7
493.11176	7.2
499.12402	31.5
511.12225	76.4
529.13342	55.7
547.14246	24.9
565.15155	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	565.1541
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
51.86230	4.5
51.86592	5.5
53.62046	4.3
55.01848	13.9
61.61383	5.4
63.06551	4.9
75.21176	5.1
89.05996	73.7
92.08706	7.2
100.84031	6.1
107.04939	8.9
121.02847	32.6
125.97055	5.4
129.76038	5.7
133.08580	36.0
137.84952	5.5
147.04359	7.8
149.05948	7.1
151.03891	44.4
167.07024	11.3
175.03891	7.9
189.01801	7.9
195.02812	8.6
203.03328	14.3
207.02806	9.1
215.03340	7.3
217.05066	7.1
227.06819	6.2
245.04361	9.1
294.05029	11.3
295.05896	29.2
307.06067	11.7
309.07492	12.4
310.04492	9.8
313.06885	7.7
321.07510	24.2
322.08212	11.3
323.05627	9.6
324.06238	13.9
325.06982	75.4
336.06100	23.6
337.06964	78.4
338.07758	11.2
339.08484	25.0
349.06763	22.8
350.07611	11.9
351.08374	41.6
355.07986	40.7
360.06033	11.3
363.08496	37.7
365.09955	8.5
366.07443	6.9
367.07858	33.2
375.08365	10.8
379.07977	65.2
381.09641	28.0
391.08191	44.9
393.09583	31.3
403.07898	9.9
405.09467	21.4
409.08899	69.2
421.09009	53.8
427.10071	36.5
433.08850	13.5
439.10010	35.9
445.08902	23.2
447.10541	7.0
451.09824	11.1
457.10776	27.8
463.09940	29.3
475.10907	24.9
481.11081	39.1
493.10840	31.9
499.12228	64.7
511.12326	80.1
529.13245	100.0
547.14001	33.4
565.15472	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1174
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.31448	0.2
52.60324	0.2
53.03929	3.2
54.81216	0.2
55.01857	2.6
55.05481	1.5
57.03408	1.5
61.02918	1.7
67.05503	0.2
68.77900	0.2
68.99763	1.6
69.03031	0.4
69.03403	11.6
71.01306	0.3
71.04952	1.4
73.02883	2.5
81.03385	11.5
81.66890	0.2
82.06559	0.3
82.69592	0.2
83.04946	0.3
83.08578	0.9
85.02366	0.5
85.02877	14.6
87.00801	8.7
91.03928	0.8
91.73396	0.2
92.02584	1.1
93.03353	1.4
97.02856	5.3
99.04416	3.2
100.11220	4.8
105.01836	2.2
109.02846	7.7
110.06036	0.3
111.04401	1.1
117.01807	1.3
121.02819	1.4
126.03137	0.4
127.03876	8.6
128.07050	0.3
129.01808	0.5
137.02309	0.2
137.05910	0.3
139.03844	1.4
145.04889	2.4
147.02855	0.5
151.03842	1.1
151.08751	0.2
153.01784	10.5
159.02829	4.5
163.03824	0.4
165.01810	0.5
166.02534	0.2
177.03906	0.4
177.05464	0.2
182.15323	1.8
199.17952	0.3
200.04613	0.2
201.05524	0.7
203.03358	0.3
209.16411	1.0
210.14885	1.5
213.17645	0.3
217.04893	1.0
218.05876	0.3
228.04094	1.3
229.04854	4.0
231.02852	0.3
231.04964	1.1
245.04387	1.5
246.05118	2.2
256.03537	0.3
257.04358	3.1
273.03888	2.5
274.04614	5.6
276.72778	0.5
284.03003	0.4
285.03821	5.5
287.05377	2.0
295.05759	0.3
302.04120	15.7
303.04349	0.4
317.06448	100.0
318.06824	0.8
326.27585	0.3
331.25519	0.3
340.25848	1.2
340.75726	0.3
343.30591	0.5
403.23029	0.8
497.26514	0.3
529.12982	0.3
565.27893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	7.4
57.03404	4.1
61.02893	4.5
68.99779	1.5
69.03396	4.4
72.36649	0.9
79.01820	1.3
81.03378	1.9
85.02869	11.6
87.74660	1.0
91.05448	4.3
97.02832	4.9
102.52065	1.0
107.04910	4.5
109.02863	1.7
111.04373	1.6
119.04906	11.8
121.02818	55.6
121.06508	1.3
123.29435	1.1
127.03865	1.3
131.04912	1.5
133.02798	1.1
135.04358	4.7
145.02815	7.8
147.04405	2.1
159.04372	1.6
161.02281	1.2
161.05916	1.1
163.03845	4.5
165.01701	1.5
171.04417	1.2
175.03792	4.5
177.01637	1.6
177.05424	2.1
179.03336	5.5
187.03792	4.4
189.01761	10.3
191.03311	6.0
195.02875	8.8
199.03865	2.3
201.05429	1.5
203.03336	20.6
205.04863	7.1
207.02841	10.6
213.05409	5.2
215.03342	8.0
217.04890	9.1
219.02811	6.2
221.04367	6.6
225.05482	1.8
229.04912	7.2
231.02763	5.8
231.06418	1.4
233.04417	2.3
241.04965	2.2
243.02670	2.0
243.06453	2.3
247.05855	1.9
249.03873	2.4
255.02806	1.9
255.06441	4.4
256.07248	4.6
261.03708	2.3
266.06033	1.2
267.06500	1.8
268.07178	5.8
269.04349	2.0
271.05899	2.4
279.06320	6.3
280.07083	1.5
281.07932	2.4
283.05899	48.7
284.06689	33.9
285.03891	1.6
291.06418	1.3
292.07138	1.4
293.07938	5.9
294.05121	19.1
295.05914	96.0
295.09323	3.5
296.06607	6.6
297.04312	2.2
297.07489	38.3
301.08432	1.1
305.07956	5.2
307.05902	60.4
307.09177	2.7
308.06686	17.6
309.04001	2.4
309.07462	24.7
311.09082	5.8
313.06943	58.6
317.07849	5.6
319.05948	6.7
320.06677	5.7
321.07422	53.7
322.08197	12.3
323.05319	4.9
323.09073	7.8
325.06955	73.2
329.07910	2.2
333.07477	20.3
335.08960	15.9
336.06067	4.5
337.06937	74.1
337.09940	2.6
339.08444	5.6
343.07974	12.3
345.07251	4.4
346.07962	1.3
347.09128	12.6
349.06912	50.8
349.10449	2.4
350.07571	2.0
351.08438	22.9
355.07858	5.2
357.07440	1.6
359.08990	5.1
361.06924	20.9
363.08496	9.7
365.09903	8.2
367.07968	71.2
373.06952	6.6
374.07367	1.5
375.08447	15.4
377.10187	1.7
379.07996	75.2
385.09235	14.1
387.08408	6.2
389.10004	2.5
391.07898	22.2
393.09906	1.3
397.09067	34.4
399.08273	1.4
401.09982	2.2
403.10208	100.0
405.09558	10.3
409.09021	22.1
415.09967	8.3
417.09396	1.8
419.10919	4.6
421.09033	9.0
423.10394	1.6
427.09955	9.1
429.09241	1.4
433.09058	17.3
439.10095	11.4
445.10312	13.3
451.10007	23.8
457.11169	21.9
469.11090	42.4
475.10172	5.9
481.11066	18.5
493.11011	16.0
499.12085	18.5
511.12299	19.5
529.13196	23.3
547.14471	19.7
565.15216	6.6
584.27344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.4
55.05481	2.0
59.85022	0.7
65.03911	3.8
67.05467	4.6
69.03407	9.0
79.05457	1.5
83.04948	24.1
85.02879	9.9
89.03880	3.2
91.05463	1.6
93.03371	8.8
95.04920	11.4
97.02840	1.8
107.04916	15.1
111.04405	68.1
115.03875	1.0
117.03353	1.7
119.04887	2.0
121.02804	4.6
123.04395	7.2
129.04544	1.1
129.05435	18.8
133.02780	1.1
135.04369	100.0
137.05920	4.1
139.03856	84.0
145.02800	4.8
147.06494	1.8
151.03938	1.2
153.05397	11.5
157.04941	13.9
163.03838	37.9
175.05913	3.4
181.03343	1.7
181.04893	35.0
181.06429	2.0
183.08121	0.8
189.05481	1.1
191.06853	1.1
191.66745	1.0
193.06953	1.7
199.05862	1.1
199.07500	3.5
209.04343	10.3
227.06929	6.8
245.07985	3.5
249.07762	1.0
255.06409	1.9
263.08911	1.1
273.07550	5.8
275.09290	1.3
281.10104	1.4
291.08539	7.5
301.06952	1.2
309.09494	7.2
319.08102	6.9
327.10745	6.2
337.09094	14.7
355.10101	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	564.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
54.77444	1.7
55.05487	9.2
57.03410	2.6
57.07064	2.2
59.79306	1.7
60.83968	1.7
61.02901	12.9
62.04175	1.6
66.66481	1.9
67.05483	14.5
69.03414	16.8
69.07035	16.4
73.02899	2.9
77.12405	1.9
79.05453	11.2
81.03380	7.9
81.07021	51.0
82.81881	1.9
83.08608	3.6
85.02882	100.0
85.60257	1.8
88.70850	2.1
89.23813	1.7
91.03938	3.2
91.05462	9.4
93.07018	32.8
95.08581	27.7
97.02870	22.8
99.04352	2.4
102.97517	1.7
105.06998	3.4
107.08568	22.7
109.02842	4.5
109.10148	19.6
119.08545	4.0
121.10110	45.9
123.11663	2.8
127.03867	24.0
133.10080	3.3
135.11647	12.7
145.04912	33.0
149.13177	17.4
159.11568	2.3
163.05937	15.8
172.06247	1.9
205.19435	3.3
205.67294	2.4
209.87753	2.0
327.53769	2.3
488.54269	2.2
523.29974	3.7
565.29022	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	563.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26096	0.7
53.00293	1.1
53.03926	1.6
55.01846	3.2
55.05244	0.9
55.05494	16.4
57.03417	10.8
57.07051	2.9
61.84319	0.7
65.03906	1.4
67.05481	59.2
69.07042	18.1
71.04967	3.7
79.05094	0.7
79.05458	37.1
81.07023	100.0
83.04948	6.1
83.08592	9.8
85.06514	4.0
91.05441	28.2
93.07006	38.6
95.04925	3.8
95.07948	1.6
95.08566	44.0
97.06496	4.8
97.10130	1.5
99.08056	3.0
101.05977	0.6
105.06998	37.7
107.08559	24.4
109.06481	4.8
109.10119	14.0
111.08017	1.4
117.06977	4.2
119.08533	27.6
121.10092	23.9
123.08006	3.8
123.10801	1.1
123.11660	24.4
127.07489	1.1
129.06944	1.1
131.08525	8.4
133.10077	6.7
135.11649	8.4
137.13217	2.2
145.10052	6.5
147.11636	44.2
149.13179	5.1
152.44168	0.6
157.10071	1.2
159.11708	4.6
161.13188	2.8
162.29121	0.7
163.14752	2.8
165.12704	15.2
168.08765	0.7
173.13225	3.3
175.11066	0.8
175.36034	0.6
177.12648	0.7
177.16400	0.6
187.14934	0.9
193.12221	1.0
229.14240	3.8
237.74922	0.8
243.20900	3.1
261.22034	13.0
267.15787	25.4
276.12830	0.7
279.23026	1.3
285.16830	28.0
317.24591	1.5
335.25699	31.3
353.26740	1.2
367.33716	0.7
453.32764	0.9
512.79926	0.6
513.36176	0.6
527.36865	3.0
529.32147	0.7
545.38269	20.1
554.88519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99611	0.7
51.37618	0.6
52.51548	0.7
53.03922	0.9
53.77564	0.6
55.01844	1.9
55.05498	18.8
57.03420	13.3
57.07051	1.4
65.03921	1.4
67.05482	65.5
69.07041	22.6
69.14942	0.8
71.04964	4.2
72.95794	0.7
76.55940	0.8
78.47429	0.8
79.05005	1.8
79.05463	40.3
81.07025	100.0
83.04965	7.1
83.08609	9.2
85.06502	4.0
91.05442	34.2
91.40836	0.8
93.07005	43.0
95.04919	5.4
95.08569	46.8
97.06490	4.8
99.08062	1.7
101.71819	0.8
103.85890	0.8
105.06996	38.2
105.07683	1.7
107.08562	29.0
109.06477	5.4
109.10114	16.4
113.05971	0.8
117.06965	4.3
119.08544	29.0
121.10094	25.4
123.08024	3.7
123.11650	20.5
127.07476	1.4
129.06982	1.6
130.54411	0.8
131.08517	11.6
133.10124	10.4
135.11659	10.3
137.13177	1.5
145.10104	8.3
147.11649	38.4
147.33134	0.7
149.13222	5.1
152.61336	0.8
157.10060	1.6
159.11676	4.8
161.13110	2.7
165.12683	13.7
173.13205	5.0
175.14807	1.0
187.14771	1.3
193.12073	1.0
205.40018	0.9
229.14206	1.6
243.21007	3.8
261.21994	15.4
267.15796	26.2
279.23022	1.4
285.16855	23.9
317.24612	3.2
335.25681	48.9
453.33151	0.9
527.36676	3.6
545.38135	21.6
563.39490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01853	3.9
55.05497	43.6
57.03418	24.2
57.07059	2.4
65.03929	2.4
67.05482	100.0
69.03405	4.0
69.07039	22.1
71.04958	9.3
79.05461	73.1
81.02937	3.2
81.03384	46.9
81.06546	3.6
81.07024	95.8
83.04955	20.0
83.08591	23.5
83.39727	1.5
85.02874	21.0
85.06506	2.6
90.29642	1.6
91.05443	61.5
93.06423	2.4
93.07011	69.6
95.04925	29.9
95.08566	56.9
97.06496	8.7
97.10132	16.7
99.24522	1.6
104.03062	1.6
105.06993	49.7
107.04945	7.1
107.08553	38.8
109.06485	7.3
109.10110	24.0
109.50785	1.5
111.04399	3.5
111.08056	7.8
117.06976	12.5
119.08534	41.5
121.06470	1.7
121.10097	28.5
123.08051	8.1
123.11668	8.0
125.09587	7.5
128.06224	2.1
129.06937	18.5
131.08528	37.8
133.06522	1.7
133.10080	26.2
135.11635	15.5
137.09541	3.2
142.07599	2.8
143.08542	10.6
145.10072	19.8
147.08031	2.1
147.11615	13.8
149.09596	3.8
149.13177	6.8
155.08524	3.6
157.10078	18.2
159.11621	16.9
161.13202	7.3
163.11096	1.9
165.12730	2.8
171.11578	4.0
173.13242	7.4
175.11081	8.1
175.14749	1.8
181.73732	1.7
185.13188	3.7
186.45876	1.9
187.14743	4.0
189.11063	1.9
193.12160	26.2
195.11565	1.9
199.14804	2.7
211.13205	26.8
211.15033	2.6
227.12814	3.2
229.14177	3.2
261.22046	7.4
267.15723	3.8
285.16864	16.4
299.46063	1.7
303.23120	3.1
335.25787	23.1
401.41202	1.9
435.32462	6.8
453.33554	4.1
471.34650	3.5
509.35770	2.1
527.37213	18.5
545.38239	63.4
563.39343	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	563.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.1
53.03920	6.2
55.01838	8.3
55.05249	2.0
55.05494	45.1
57.03413	25.5
57.07041	2.8
59.04971	2.0
65.03913	5.4
67.05479	93.0
69.02221	1.2
69.03397	5.9
69.07039	29.0
71.04966	8.8
79.05003	2.3
79.05460	72.9
81.03385	59.3
81.07022	100.0
83.04945	20.4
83.08585	30.9
85.02874	21.7
85.06523	4.7
91.04901	2.1
91.05444	57.1
91.06010	2.0
93.07004	70.6
95.04406	1.9
95.04927	28.7
95.08569	59.2
97.02851	1.8
97.06519	9.7
97.10120	13.3
99.08054	1.9
105.06995	50.4
106.57727	1.2
107.04899	5.2
107.08556	43.9
109.06472	7.4
109.10122	24.0
111.04387	4.9
111.08031	9.5
115.05414	1.5
117.06973	17.9
119.08531	43.8
121.06448	2.3
121.10099	29.0
123.08008	5.5
123.11655	9.0
125.09590	7.6
129.06963	17.8
131.08511	32.6
133.06381	1.6
133.10074	23.8
135.08029	1.9
135.11633	16.4
137.09579	1.5
137.13179	1.3
139.22104	1.2
142.07704	2.4
143.08519	8.0
145.10081	19.4
147.07928	2.3
147.11633	22.8
149.09543	6.5
149.13203	7.1
155.08507	2.2
157.10060	16.1
159.11592	13.9
161.13199	8.5
163.11148	2.5
163.14864	2.0
165.12703	1.9
169.10078	2.9
171.11615	7.2
173.13147	11.5
175.11095	15.1
181.10033	1.7
183.11623	2.9
185.13234	4.5
187.14740	3.0
192.19945	1.4
193.12154	33.2
197.13116	2.6
201.16278	1.7
211.13208	38.4
211.15063	2.1
227.12703	2.2
243.21114	1.5
261.22064	10.7
267.15869	5.5
285.16864	17.4
299.23508	1.6
301.21231	1.3
309.72137	1.5
317.24323	1.6
335.25732	26.5
355.25562	1.4
435.32361	3.0
453.33322	4.7
471.34140	5.9
515.36450	1.5
527.36993	20.2
545.38220	69.4
563.39203	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	563.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00365	1.3
53.03926	8.0
55.01851	7.2
55.05243	2.0
55.05494	48.9
57.03416	26.1
57.07052	3.0
59.04978	1.7
65.03928	1.8
67.05480	91.4
69.03393	6.8
69.07040	25.8
71.04961	8.4
74.84854	1.2
76.71489	1.3
78.83374	1.3
79.05004	3.1
79.05460	67.6
81.03382	50.8
81.03824	2.5
81.07020	100.0
83.04947	21.5
83.08582	29.2
85.02884	23.2
85.06525	5.5
86.21956	1.4
91.05444	58.2
93.07003	84.1
95.04933	30.0
95.08567	60.7
97.06488	7.7
97.10109	8.6
99.08028	2.1
103.05417	2.3
105.04501	1.8
105.06985	53.3
107.04937	5.6
107.08559	43.1
109.06495	6.9
109.10108	24.9
111.04415	1.5
111.08048	8.0
113.05932	2.0
117.06947	13.1
119.08527	39.8
121.10107	30.4
123.08025	3.4
123.11655	7.7
125.09588	3.0
128.06178	2.4
129.06950	15.6
131.08519	26.8
133.06409	1.5
133.10074	27.2
135.07950	2.1
135.11662	13.0
137.09596	2.2
137.13168	1.8
142.07715	2.5
143.08469	10.4
145.06400	1.8
145.10092	17.7
147.08025	3.2
147.11636	16.4
149.09544	7.6
149.13223	2.8
155.08440	2.3
157.10045	15.0
159.11632	11.4
161.13225	2.4
163.14781	2.1
165.12683	3.5
169.10057	2.1
171.11647	7.1
173.13229	6.9
175.11128	10.9
175.14697	2.7
181.09985	1.5
183.11595	3.1
185.13219	2.6
187.14764	2.8
193.12166	29.3
197.13263	2.2
199.14752	1.6
211.13156	34.2
222.88234	1.5
225.07018	1.5
226.03665	1.4
259.47205	1.6
261.22046	8.5
267.15787	3.1
285.16879	16.4
285.21872	1.7
317.24649	1.8
335.25677	49.3
391.28409	1.8
435.32477	2.8
453.33478	2.6
527.37244	17.7
545.38196	76.6
545.46545	2.9
563.39539	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	563.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72483	0.8
53.03929	1.7
55.01865	3.2
55.05249	1.1
55.05495	15.6
57.03413	14.1
57.07054	1.1
63.99739	0.9
67.05479	54.6
69.07040	16.3
71.04961	3.9
74.57396	0.8
77.76476	0.8
78.07774	0.8
79.05460	32.9
81.00056	0.9
81.07024	100.0
83.04951	5.1
83.08596	8.4
85.06528	4.6
91.05444	28.3
93.07002	35.4
95.04958	1.9
95.07962	1.5
95.08567	42.5
97.06502	5.7
97.10173	1.1
99.08027	1.7
105.06993	36.8
107.08557	25.7
109.06497	4.6
109.10117	13.8
111.08071	1.9
117.06993	6.9
118.37155	0.7
119.08542	28.1
121.10101	26.0
123.08045	3.1
123.11650	23.8
127.07594	0.8
129.06976	1.7
131.08522	8.0
133.10107	7.7
135.11632	7.9
137.13219	1.5
145.10063	7.0
147.11633	45.5
149.09549	0.9
149.13243	3.9
157.10010	1.2
159.11641	4.5
161.13194	3.7
163.14822	1.7
165.12697	14.5
173.13258	1.5
175.11066	1.4
187.14780	1.4
229.14282	4.2
243.20988	4.1
261.22031	13.2
267.15790	28.7
279.23309	1.5
285.16864	30.5
317.24649	3.9
335.25687	30.3
353.26932	0.9
471.34546	1.0
490.23404	0.9
527.37067	3.6
545.38123	23.9
563.39117	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	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47270	0.4
52.27987	0.3
53.00285	0.7
53.03933	2.2
55.01851	2.5
55.05241	0.9
55.05495	21.8
55.21452	0.4
57.03145	0.7
57.03418	15.3
57.07050	3.4
59.04981	0.4
62.85553	0.4
65.03912	2.0
67.05482	63.0
69.03387	0.6
69.06673	0.9
69.07043	20.6
71.04967	2.7
73.06544	0.8
79.05462	38.2
81.03397	0.7
81.07027	100.0
82.07348	0.7
83.04948	5.3
83.08591	10.8
85.02865	0.8
85.06508	5.2
91.05444	33.0
93.07008	44.2
95.04923	5.3
95.08572	49.3
96.08908	0.6
97.06498	6.2
97.10133	2.9
99.08060	2.7
101.05965	0.6
103.05450	0.7
105.06994	35.8
107.04950	0.6
107.08558	26.0
107.66319	0.5
109.06487	4.6
109.10119	14.4
111.08076	0.9
113.06012	0.5
115.07607	0.4
117.06963	5.2
119.08540	29.0
121.10097	24.8
123.08045	3.0
123.11659	22.7
125.09570	0.7
127.07526	0.9
129.06905	1.7
131.08517	10.1
131.33769	0.5
132.08862	0.7
133.10083	7.9
135.11652	9.7
137.13232	2.6
139.11209	0.5
140.67896	0.5
143.08517	0.8
145.10091	6.6
147.11649	36.2
148.12041	0.5
149.09645	0.8
149.13190	6.7
151.14720	0.5
153.12741	0.6
157.10101	2.8
159.11641	5.8
161.13248	3.1
163.11160	0.6
163.14761	2.1
165.12682	11.2
165.13953	0.7
166.22182	0.5
173.13190	4.6
175.11229	1.1
175.14720	0.5
187.14781	1.7
193.12350	0.7
213.16133	0.6
229.14349	2.8
243.20987	4.1
261.22028	12.3
267.15823	22.6
279.23224	2.4
285.16858	21.5
317.24783	3.4
335.25677	46.0
336.25623	0.5
396.17746	0.5
453.32962	0.7
462.46268	0.6
471.34375	0.8
527.37256	1.2
544.36993	1.2
545.38110	18.1
545.45331	0.7
563.38831	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	563.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.9
53.03922	8.1
55.01853	7.9
55.05493	50.1
55.95219	1.9
57.03420	25.0
57.07070	2.6
59.04969	2.6
67.05479	100.0
69.03384	3.6
69.07039	29.3
71.04959	9.5
78.42441	1.7
79.05453	61.7
81.03386	56.5
81.07021	98.5
83.04936	15.0
83.08589	31.6
85.02871	27.4
85.06505	2.5
91.05432	64.1
92.08616	6.9
93.06995	65.7
95.04921	24.6
95.08562	68.6
97.06505	12.4
97.10118	12.8
105.06995	48.4
107.04893	4.4
107.08551	39.9
109.06498	8.1
109.10116	23.4
111.04387	3.2
111.08042	7.7
117.06964	18.6
119.08536	40.4
121.06480	2.3
121.10086	24.8
123.08007	4.5
123.11658	7.7
123.93576	1.8
125.09625	3.1
129.06950	16.0
130.07707	2.3
131.08508	33.1
133.06419	2.7
133.10088	28.4
135.11636	12.5
137.09575	3.2
137.19194	2.0
142.07747	2.7
143.08505	9.6
145.10066	24.1
147.08038	2.6
147.11635	19.1
149.09593	4.3
149.13243	4.0
155.08514	4.0
157.10054	15.4
159.11649	11.5
161.13184	10.2
169.10057	4.0
171.11609	9.1
173.13235	11.1
175.11102	11.0
175.14839	3.1
177.66829	2.0
183.11598	7.3
185.13185	4.7
187.14752	4.3
193.12134	30.2
195.11638	2.7
197.13307	2.6
199.14835	3.4
211.13173	32.6
227.12721	2.8
243.20961	3.2
261.22046	7.6
267.15933	3.4
285.16769	22.9
335.25644	28.3
359.25717	2.8
363.25439	2.2
386.89667	2.2
435.32404	3.7
453.33167	3.3
471.34177	3.8
522.95874	2.2
527.37164	22.9
545.30408	3.8
545.38184	75.1
563.38800	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	563.3908
Annotation	Rhodoxanthin
Peak:m/z	Relative Intensity
52.92505	0.7
55.05474	1.1
57.07061	1.5
59.93046	0.7
60.31961	0.8
66.52712	0.7
67.40752	0.6
71.08614	1.8
81.07014	1.7
95.08589	1.3
117.55267	0.9
145.52461	1.0
145.71503	0.8
147.11792	0.7
222.35986	0.8
251.12564	4.9
307.15131	4.4
313.27182	1.3
563.38989	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	45.2
57.03411	24.6
59.63506	3.9
67.05480	100.0
69.03387	4.4
69.07042	27.7
71.04968	7.5
79.05459	86.3
81.03381	26.1
81.07025	99.4
83.04916	6.7
83.08587	22.6
85.06495	8.1
91.05450	52.6
93.07005	92.2
95.04932	17.1
95.08562	63.3
97.06500	11.0
97.10131	8.8
100.15627	4.3
105.07008	67.5
107.08574	36.6
109.10129	27.7
112.81172	4.5
117.06983	26.1
119.08550	38.4
121.10092	33.3
123.08024	5.1
123.11588	6.7
129.06956	18.8
131.08522	41.3
133.10049	35.0
135.11632	7.9
137.09508	5.5
139.11118	5.5
143.08499	11.3
145.10078	32.9
147.11678	9.9
157.10092	18.5
159.11609	19.8
161.13231	7.2
171.11624	8.0
173.13164	8.3
177.12700	4.9
185.13136	5.7
187.14821	6.2
197.13217	5.7
206.10229	4.9
225.14603	5.5
245.18985	5.5
259.20453	5.7
335.25760	7.8
453.33548	8.7
471.34866	6.3
523.96027	5.9
527.37061	24.7
545.37915	52.8
563.39380	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	563.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55387	0.4
58.67372	0.4
62.11684	0.4
65.03922	0.7
66.27621	0.5
67.05479	0.8
68.99757	3.2
70.73465	0.5
71.04945	0.6
81.03420	0.4
83.04947	1.0
85.02848	0.5
87.04430	0.5
89.03889	2.2
89.05984	0.6
91.05422	0.7
93.03418	0.6
95.01056	2.7
96.01810	0.8
98.97515	0.5
101.25967	0.6
107.04905	2.7
111.04411	1.0
112.01288	0.7
113.02103	3.4
117.03345	2.8
119.04919	1.1
121.02813	7.8
121.17426	0.6
127.11140	0.6
127.51596	0.5
135.04355	8.9
137.05946	6.8
138.06253	0.6
139.03804	0.7
145.02809	7.6
147.04356	0.7
149.02312	6.2
157.04652	0.9
161.05948	1.1
163.03839	53.5
163.07469	0.8
177.01778	9.3
179.03355	0.7
185.04181	6.8
185.05708	1.2
189.05341	0.8
192.07770	0.7
195.06441	7.7
201.03720	0.8
203.05170	4.4
204.07509	6.1
237.05424	0.6
241.04990	0.6
269.04315	0.7
311.05508	2.6
329.94952	0.5
339.04868	2.5
339.08582	1.8
353.13428	0.6
365.12018	2.0
380.72803	0.5
383.11090	2.3
401.12180	3.2
441.52176	0.5
454.08856	0.5
503.17862	0.7
563.20825	100.0
564.21240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38187	0.4
57.67816	0.4
67.05487	0.7
68.99758	2.3
69.03439	0.5
69.18217	0.5
71.10756	0.4
79.05466	0.5
81.03375	0.8
81.07037	0.5
83.04962	0.7
89.03888	1.0
89.05992	0.7
91.05443	0.7
93.03403	0.6
95.01059	3.3
96.01842	2.1
97.02762	0.6
103.05444	0.5
107.04935	2.2
111.04413	2.1
113.02112	3.5
117.03345	3.8
119.04922	0.9
121.02827	6.8
123.04456	0.6
127.03669	0.5
135.04358	8.8
137.05922	7.3
138.06265	1.3
139.03871	0.6
145.02812	7.1
147.04486	0.6
149.02261	6.7
157.04776	1.0
159.04097	0.9
163.03842	46.9
167.03313	0.7
177.01788	10.1
179.03358	0.6
185.04178	6.8
185.05653	1.6
187.03870	0.7
189.05302	0.8
193.66765	0.7
195.06514	7.6
201.03627	1.0
202.06056	0.7
203.05226	3.4
204.07516	7.3
213.05356	0.7
223.39201	0.5
233.11617	0.8
241.05014	0.7
269.04437	0.9
283.05832	1.1
297.03778	0.6
311.05457	2.8
339.04984	3.1
339.08551	0.8
351.06830	0.7
353.13593	0.6
365.11850	2.2
371.08060	0.6
383.11136	0.7
401.12054	2.2
503.18518	0.8
563.20837	100.0
564.20917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.1
56.97757	0.1
57.86481	0.1
67.01820	0.7
68.99764	0.2
69.03391	0.6
81.03374	0.3
81.07008	0.3
83.04949	0.1
84.64496	0.1
85.02872	1.2
87.04467	0.2
95.08532	0.2
97.02844	0.7
98.97536	0.1
99.04378	0.1
105.07022	0.2
107.04938	0.1
109.02863	0.1
115.03883	0.1
117.03300	0.1
127.03861	0.8
129.01808	0.1
135.04353	2.1
137.02257	0.5
145.04938	0.7
153.00592	0.2
153.01785	5.8
161.02251	0.6
171.02855	0.9
173.06041	0.1
179.03439	0.1
213.05415	0.2
241.04869	0.6
259.08035	0.1
269.04398	0.7
285.07358	0.2
287.05402	100.0
288.05698	0.8
303.04898	0.1
563.13678	3.1
563.31476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.9
54.80872	1.0
55.01839	4.2
55.05276	1.0
55.05496	16.1
57.03419	20.6
67.05484	22.9
69.03390	5.6
69.07060	7.6
71.04960	8.5
76.54994	0.9
79.05073	1.4
79.05469	27.1
81.03387	100.0
81.07027	37.0
83.04956	15.3
83.08589	24.3
85.02877	20.1
85.06503	2.0
91.05447	30.6
93.07021	22.9
95.04932	29.9
95.08569	15.3
97.02837	5.4
97.06501	2.4
97.10123	6.2
99.04398	4.1
103.03894	4.6
105.06996	33.0
107.04927	9.6
107.08557	16.8
109.06491	8.6
109.10119	8.5
111.04391	1.6
111.08049	6.3
117.06985	1.2
119.04764	0.9
119.07738	1.8
119.08543	35.8
119.09397	1.4
121.06470	2.5
121.10101	9.8
123.08015	4.8
123.11634	1.9
125.09602	1.6
127.03846	6.2
127.11133	3.9
128.06126	1.1
129.06969	11.8
129.47202	1.0
131.08528	16.9
133.06456	1.7
133.10091	13.6
135.08017	1.4
135.11646	9.6
137.09557	1.1
140.45801	1.0
142.07684	1.8
145.04959	1.3
145.06419	4.4
145.10057	2.5
147.08009	5.4
147.11652	17.5
149.09532	5.8
149.13223	1.1
155.80774	1.2
157.10069	16.5
161.13156	1.2
162.05547	1.0
163.03864	1.0
163.11023	1.2
165.12558	1.4
167.08441	1.2
175.11139	11.4
185.13266	1.0
193.12175	28.4
203.17894	5.1
211.13217	13.4
221.18906	12.4
267.15790	57.7
273.14758	2.0
285.16879	14.9
349.21567	1.2
367.22626	7.1
385.23672	6.9
425.24985	1.1
433.25638	6.4
441.26334	1.8
459.27237	30.3
477.28323	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	562.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	20.8
57.03392	2.8
57.07045	3.0
67.05470	19.8
69.07037	20.1
79.05455	23.4
79.26574	1.5
81.07020	51.5
83.08586	13.1
91.05428	23.8
93.06998	55.2
95.04916	9.2
95.08566	72.1
97.06464	7.2
99.08057	8.7
105.06987	59.7
107.08549	72.0
109.06466	9.2
109.10110	20.4
111.08018	4.3
117.06966	11.2
119.08527	100.0
121.10084	30.2
123.08025	3.9
123.11646	7.1
129.06911	14.5
131.08508	50.6
133.10083	48.6
135.08020	3.7
135.11632	12.6
141.06932	2.2
142.07745	7.8
143.08496	28.1
144.09308	3.6
145.10068	86.2
147.11632	43.9
149.09605	2.4
149.13217	13.6
151.07436	2.4
151.11191	3.2
153.08975	1.9
154.07761	1.9
155.08530	12.3
156.09306	3.5
157.10075	37.9
158.10811	2.8
159.11630	47.5
161.09540	3.0
161.13167	22.7
163.07486	7.2
163.11143	1.9
163.14769	11.5
165.08963	1.8
165.12651	2.0
167.08430	2.6
169.10048	18.7
170.10732	3.4
171.11617	39.0
173.13193	53.1
175.11127	3.5
175.14745	35.1
177.09027	2.4
177.12654	11.1
177.16319	7.7
181.10043	2.6
182.10837	4.1
183.11642	19.2
185.13171	48.5
187.14729	52.0
189.16286	12.2
191.10547	3.2
191.14230	14.6
195.11595	3.9
197.13159	17.9
199.14749	46.0
201.12691	4.1
201.16336	20.5
203.14235	20.6
203.17845	2.0
205.15840	2.5
207.11549	2.9
209.13202	8.5
211.14725	16.9
213.16318	22.9
215.14246	7.2
215.17873	2.6
217.15805	7.3
219.13786	3.4
221.13260	6.6
221.15303	3.1
223.14789	8.7
225.16330	9.1
227.17741	7.5
229.15843	4.4
231.17395	3.0
233.13112	3.2
233.15257	6.1
235.14752	2.3
237.16310	9.1
239.17853	7.5
241.19356	3.6
245.15254	7.3
247.16757	2.5
249.14470	6.4
251.17944	3.1
253.19402	3.1
259.17001	3.6
265.19446	2.3
273.18369	2.4
277.19421	2.0
279.21036	2.3
281.18933	2.2
283.16751	1.8
291.20901	2.6
293.22443	2.8
299.19891	3.2
331.24100	3.1
331.99432	1.8
349.25241	2.9
367.26160	8.8
375.30356	4.4
377.24680	2.3
385.28552	1.8
395.25650	2.3
403.29877	21.8
405.31192	3.4
419.29227	10.7
421.30844	62.9
423.32117	3.4
427.72141	1.9
431.29230	10.1
437.30200	2.8
439.31821	28.2
449.30267	81.0
467.31409	78.2
468.31097	2.1
485.32394	21.0
544.36688	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	561.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39604	2.2
55.01847	13.9
55.05493	50.0
57.03410	6.7
67.05481	83.9
69.03373	3.2
69.07053	27.5
70.46473	2.2
71.04964	4.8
79.05460	53.7
81.03375	14.8
81.07021	73.7
83.04950	17.8
83.08582	26.0
86.80910	2.6
91.05449	39.8
92.09340	3.9
93.07005	64.5
95.04913	15.0
95.08566	44.1
97.06487	4.5
97.10131	26.4
105.06983	46.8
107.04921	9.7
107.08573	34.6
108.37739	2.9
109.06477	10.1
109.10149	19.3
111.04424	6.6
111.08043	6.2
112.60513	4.2
117.06985	19.4
118.15723	2.9
119.08543	37.6
121.06425	3.7
121.10098	18.2
123.08019	3.6
123.11626	5.6
125.09560	12.7
129.06969	17.0
131.08521	30.3
133.10094	19.8
134.71329	3.1
135.08005	4.2
135.11629	12.5
143.08495	13.8
145.10121	28.9
147.11697	6.3
149.13145	4.7
149.88255	2.7
157.10081	10.5
159.11626	15.3
161.13182	4.7
163.11140	12.8
169.10030	3.6
171.11578	3.7
173.13150	4.8
175.11111	3.2
185.13144	5.0
185.88972	2.8
189.11209	5.4
195.11734	4.2
197.13103	3.2
199.14738	6.1
226.20471	2.7
227.12674	17.0
233.44804	2.9
243.20973	3.2
261.21997	10.8
282.79092	3.4
283.15213	10.8
299.23477	9.2
317.24704	4.7
335.25620	15.3
432.77371	2.8
433.30978	4.0
438.57788	2.8
438.76089	3.5
451.31921	6.4
469.33023	6.1
487.33948	4.0
525.35413	22.4
528.36023	2.8
543.36664	100.0
561.37750	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	561.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01853	12.2
55.05241	2.8
55.05496	54.4
56.21389	1.2
57.03423	15.5
57.07059	6.1
59.04984	2.5
65.03925	2.2
67.05481	77.4
69.03387	2.3
69.07038	22.8
71.04970	6.0
73.84299	1.2
79.05458	58.6
81.03382	15.6
81.07022	66.8
83.04943	15.6
83.08589	29.4
85.02884	5.0
85.06527	1.3
91.05446	40.4
93.07005	55.1
95.04933	13.3
95.08569	42.3
97.02845	1.4
97.06504	8.3
97.10127	29.4
99.04452	1.6
103.43356	1.2
105.06997	43.8
107.04193	1.1
107.04921	7.3
107.08559	38.5
107.09299	1.3
109.06480	2.7
109.10134	20.9
111.04414	7.5
111.08042	8.4
112.40285	1.2
114.88073	1.1
115.05392	1.7
117.06958	20.8
119.08550	33.1
121.06457	3.0
121.10095	18.9
123.08025	5.2
123.11636	3.2
125.09594	19.5
128.06201	1.7
129.06956	14.4
130.07780	1.7
131.08521	33.5
133.06468	1.5
133.10092	22.2
135.08014	7.3
135.11646	18.6
137.09595	2.2
141.06937	5.3
143.08519	15.9
145.10081	28.8
147.08012	2.4
147.11644	13.7
149.09573	5.2
149.13200	6.9
153.12756	5.5
155.08519	7.9
157.10071	14.1
159.11626	20.6
161.09589	1.5
161.13205	5.2
163.11096	11.5
163.14705	1.4
167.08549	3.1
169.10085	8.6
171.11627	7.3
173.09615	1.7
173.13147	12.3
175.11143	2.6
175.14786	2.6
181.10071	1.4
181.12154	2.7
183.11714	6.1
184.97012	1.3
185.13194	6.8
187.14763	2.7
189.11189	10.6
191.10645	2.1
193.12193	2.9
195.11658	3.2
197.13214	2.5
199.14709	5.0
201.16281	1.8
209.11513	1.5
209.13309	2.1
211.14764	2.0
221.13173	1.7
227.12743	16.3
252.31877	1.3
259.20490	3.0
261.22079	5.9
267.15771	1.6
277.21521	1.4
283.15359	14.5
289.17676	1.4
299.20355	2.1
299.23477	14.2
301.21353	2.0
315.22888	1.8
317.24689	3.1
333.24213	1.9
335.25662	10.1
433.30722	2.2
451.32156	11.0
469.33060	7.5
487.34274	2.8
525.35541	18.7
543.36615	100.0
544.36591	2.0
561.37738	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	561.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.4
53.03922	3.1
55.01859	12.2
55.05497	62.9
55.71679	1.4
57.03423	18.4
57.07056	3.3
59.04971	2.2
67.05482	86.4
69.03407	3.2
69.07045	30.0
71.04948	3.4
79.05466	74.5
81.03377	15.7
81.07027	84.8
83.04960	22.2
83.08593	32.7
85.02837	1.8
85.06511	1.5
91.05447	49.7
93.07008	72.1
95.04933	17.4
95.08575	54.8
97.02818	1.8
97.06504	10.7
97.10126	36.6
103.05433	1.7
105.07005	53.3
107.04932	10.0
107.07889	2.4
107.08562	47.4
109.06481	11.4
109.10123	32.1
111.04400	15.3
111.08035	8.5
114.05639	1.5
115.05429	2.7
117.06973	27.3
119.08542	47.4
121.06457	7.9
121.10101	26.4
123.08035	6.4
123.11654	8.8
125.09575	23.8
128.06160	1.8
129.06944	15.8
131.08531	42.9
133.10091	28.7
135.08011	9.7
135.11647	19.3
136.76546	1.6
141.06923	3.1
142.07779	1.7
143.08504	14.2
145.06464	5.2
145.10083	32.6
147.08005	1.9
147.11621	18.9
148.13921	1.7
149.09576	2.6
149.13179	7.8
153.09030	1.7
153.12721	7.8
155.08495	10.1
157.10089	18.1
159.08038	2.5
159.11613	17.8
161.09540	2.9
161.13155	11.1
163.11089	13.4
165.07031	1.9
167.08461	2.6
169.10048	11.6
171.11603	13.6
173.09558	3.4
173.13179	14.6
175.11143	6.3
181.10121	3.2
181.12135	2.7
183.11632	10.3
185.13167	13.1
187.14771	6.6
189.11134	11.1
189.12654	2.5
191.10655	3.3
193.12248	2.9
195.11597	2.7
197.13213	2.9
199.14809	6.6
201.16360	2.0
209.36165	1.5
211.14864	1.8
213.12686	1.8
213.16451	1.6
223.14783	2.3
227.12654	27.2
259.20639	1.9
261.22083	6.2
267.15814	2.1
271.20215	1.8
283.15311	14.1
283.20377	2.8
299.23514	13.7
301.21375	5.9
313.21521	2.1
317.24615	6.2
335.25668	7.8
433.30759	7.2
451.31998	10.6
461.78125	1.8
469.32617	10.3
487.33920	6.2
515.37122	2.3
525.35559	21.2
543.36664	100.0
544.36938	2.0
561.37701	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	561.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	16.0
57.07051	5.5
59.04975	5.0
67.01839	4.6
67.05480	21.1
68.99757	3.3
69.03411	8.9
69.07040	21.2
79.05462	22.0
81.07034	51.1
83.04962	9.2
85.02877	4.7
91.05455	27.5
93.07015	46.7
95.04955	7.4
95.08581	37.0
97.02853	5.9
97.06489	39.8
99.08049	34.7
105.06992	58.6
107.08552	69.1
109.06474	7.0
109.10145	21.3
111.08022	4.5
113.05942	8.2
117.07037	16.2
119.08538	100.0
121.10110	39.7
123.04391	10.0
123.08050	15.2
131.08548	57.5
133.10083	59.7
135.04384	4.5
135.08023	22.0
135.11644	18.8
137.06038	5.9
137.09630	5.1
143.08540	37.7
144.09352	4.7
145.06503	4.3
145.10074	96.1
147.07941	6.0
147.11630	38.9
149.02296	23.2
149.09566	7.8
149.13176	5.0
150.02553	7.6
150.76208	4.2
151.07600	4.9
153.01788	87.1
155.08549	7.4
156.09285	8.6
157.10080	47.0
158.10851	5.9
159.11613	68.9
161.09567	19.9
161.13138	29.9
163.03848	23.8
163.14847	4.7
169.10088	8.3
170.10869	8.0
171.02844	41.4
171.11607	36.7
173.09595	6.3
173.13193	50.3
175.11143	18.1
175.14838	5.7
177.12727	16.2
179.03273	9.2
182.10970	4.8
183.11642	20.1
185.13167	45.0
187.11081	5.8
187.14743	49.5
189.12698	9.8
191.14232	9.0
197.13170	14.6
199.14787	43.1
201.16386	19.4
203.14270	21.8
205.15836	9.6
211.14792	8.1
215.14209	28.1
217.15735	4.8
225.16455	6.7
229.15822	8.0
233.15302	7.4
245.15295	7.9
246.17130	5.3
286.15997	4.1
311.16214	4.9
342.12848	4.3
347.23798	5.4
365.24924	5.7
367.11642	22.0
385.12674	34.9
401.28159	6.8
419.29272	23.4
437.30365	33.1
447.28726	8.9
455.31400	57.0
465.29684	46.8
477.13824	5.5
483.30768	46.9
501.11996	5.1
501.31931	44.5
542.17719	4.5
561.33649	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	561.3749
Annotation	3,3'-Dihydroxyisorenieratene
Peak:m/z	Relative Intensity
60.32457	3.4
83.47460	4.7
83.84447	4.7
132.90767	4.7
152.93036	3.6
172.04089	4.0
198.05676	4.1
236.12109	4.3
249.10905	29.8
305.13406	6.4
306.08893	4.3
345.06488	4.7
561.37549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.375
Annotation	3,3'-Dihydroxyisorenieratene
Peak:m/z	Relative Intensity
54.80019	1.2
57.07059	1.4
67.05624	1.0
71.08612	1.3
80.72515	0.9
81.07040	1.1
141.72672	1.0
143.23657	1.3
249.10947	2.6
305.13559	2.1
313.27359	1.2
561.37457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.00294	1.2
53.03924	3.9
55.01859	15.4
55.05495	64.0
55.05769	2.2
57.03419	14.8
57.07063	8.0
59.04979	1.6
59.84403	0.9
65.03922	1.4
67.05482	92.9
69.03399	6.9
69.07034	22.9
71.01312	1.0
71.04954	6.2
75.65948	1.1
77.22909	0.9
77.77493	1.0
79.05461	70.0
81.03386	15.9
81.07026	86.8
83.01321	2.0
83.04948	19.9
83.08135	1.5
83.08588	27.7
85.02871	4.8
85.06508	4.8
89.05988	1.2
91.05445	53.6
93.07008	79.6
95.04941	19.8
95.08569	52.6
95.09043	1.1
97.02874	1.5
97.06484	8.6
97.10128	32.6
105.04536	0.9
105.06996	51.2
107.04906	9.1
107.08558	49.1
109.06506	9.3
109.10126	23.8
111.04423	9.7
111.08036	6.2
115.05416	4.0
117.06972	29.7
119.08542	41.9
119.09398	1.4
121.06442	8.7
121.10103	23.6
123.08002	7.6
123.11657	10.1
125.09594	22.6
128.06142	1.4
129.06955	16.1
130.07735	4.0
131.07541	1.6
131.08522	42.0
133.06477	1.4
133.08536	1.5
133.10088	23.4
135.08006	7.9
135.11633	18.9
137.09581	1.9
141.06931	4.3
142.07745	1.3
143.08525	15.0
144.11633	1.0
145.06514	2.1
145.10081	37.0
147.08002	2.2
147.11638	19.7
149.09581	4.6
149.13220	5.6
153.09059	2.4
153.12694	7.7
153.32552	0.9
155.08490	10.8
157.10052	14.8
159.08005	1.3
159.11650	22.2
161.09567	1.4
161.13194	6.6
163.11119	14.2
163.14746	1.4
167.08446	1.7
169.10086	11.3
171.11636	14.2
173.09583	2.1
173.13194	13.1
175.11125	2.4
175.14754	2.5
177.16235	1.4
180.09265	1.1
181.10063	2.4
181.12151	4.5
183.11588	7.4
185.13206	7.6
187.14793	6.3
189.11182	9.4
189.12701	1.5
191.10629	2.5
193.12189	2.0
194.46707	1.2
195.11646	3.7
197.13182	5.7
199.14760	2.5
205.60857	1.2
206.92867	1.0
209.11510	1.2
209.13234	3.8
211.12965	1.4
211.14819	1.7
215.14140	2.0
225.16483	1.4
227.12679	19.2
259.20496	2.5
261.22003	8.2
267.15985	1.4
277.21606	1.4
283.15314	16.5
299.23608	11.5
301.21442	1.2
317.24673	6.7
329.63522	1.1
333.24097	4.3
335.25754	12.9
357.23788	1.4
433.30688	6.7
451.32028	10.0
469.33014	9.8
487.33932	6.5
515.36920	2.5
525.35486	23.5
542.26996	1.2
543.36646	100.0
544.37213	2.2
561.37866	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	560.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01846	0.6
65.03899	1.9
65.46807	0.2
67.05483	4.9
69.03390	0.4
71.11594	0.2
72.98981	0.2
79.05465	0.6
81.02943	0.5
81.03383	7.4
82.04164	0.5
83.04910	0.3
84.78555	0.2
85.02874	0.6
91.05438	5.1
93.03365	0.4
95.04926	18.5
96.03860	0.2
97.02878	0.4
97.06490	17.7
103.05421	0.9
105.04485	0.3
105.06986	0.4
107.04924	0.9
108.02062	1.8
109.02914	0.3
109.06499	0.3
111.04415	1.6
119.04898	10.8
122.03563	0.4
123.04380	12.7
124.05157	0.4
125.05941	6.4
127.07506	100.0
131.04898	1.7
133.02757	0.5
133.06523	0.3
136.01494	0.2
137.05928	8.9
139.07509	0.4
140.04623	5.2
141.05434	0.6
147.03195	0.5
147.04361	11.9
149.05927	0.4
151.03873	4.3
151.07497	3.1
152.04604	0.3
155.06976	27.8
161.05931	1.7
162.06714	1.2
167.06969	5.6
168.07765	1.3
179.06953	5.1
181.08688	0.3
183.06456	55.9
255.09984	0.3
259.08127	0.3
313.10547	6.0
317.13834	0.3
345.13245	2.9
383.48676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	9.0
55.05498	24.7
57.03410	26.3
63.33707	2.0
65.22653	2.1
67.05483	27.4
69.03419	3.5
69.07056	3.7
73.86874	2.6
78.15011	2.4
79.05470	39.6
81.03391	91.8
81.07030	30.4
83.01331	11.1
83.04955	16.3
83.08598	27.5
85.02900	3.5
86.09679	3.3
91.05447	32.8
91.90338	2.4
93.07018	31.5
95.04935	30.2
95.08601	18.4
97.02883	4.2
97.06533	3.9
97.10130	4.2
99.04425	2.4
105.07013	21.3
107.04897	17.8
107.08582	20.8
109.06499	5.3
109.10126	5.9
111.04402	3.2
111.08044	4.6
117.07046	7.3
119.08533	17.8
121.06492	4.9
121.10101	13.6
123.08053	11.1
125.09588	5.1
127.66765	2.5
129.06985	12.5
131.08556	14.6
133.06422	8.9
133.10107	10.2
135.11670	12.1
143.08546	3.6
145.10075	15.0
147.08003	3.9
147.11621	4.6
149.09558	2.3
153.12726	3.2
157.10094	11.0
161.05928	3.0
163.11189	17.7
173.09607	3.8
185.95523	2.4
193.12163	23.5
197.13206	2.7
256.08203	2.4
261.41827	2.4
267.15829	40.7
272.38773	2.7
283.15295	31.0
365.21173	3.0
383.22134	20.1
401.23120	4.6
457.25977	23.4
475.26740	100.0
493.27518	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	561.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02734	0.2
56.88808	0.2
56.96543	0.5
59.11819	0.3
69.03389	0.5
73.53417	0.2
83.04976	0.3
85.02865	1.3
97.02853	1.1
98.97559	3.3
101.00819	0.4
111.04380	0.3
116.98551	2.1
117.98837	0.3
119.01857	1.5
119.04847	0.3
125.70392	0.2
131.00082	0.3
131.01849	0.4
134.99648	0.6
135.04349	0.5
138.96404	0.3
139.03848	0.3
143.00040	0.4
143.01845	0.9
145.03558	0.4
147.04359	1.4
149.01083	0.4
155.01862	0.5
156.97447	2.6
157.70836	0.3
158.99612	0.4
161.01140	1.3
161.02954	2.2
163.03816	2.6
168.12971	0.3
173.01509	0.2
173.02902	2.3
173.87068	0.3
174.98477	6.1
175.04440	0.4
177.00732	0.5
180.97362	6.0
185.01440	0.3
185.02829	2.5
187.04445	0.5
189.00578	0.5
190.24731	0.3
191.02159	0.3
197.02989	1.1
198.98477	100.0
199.98607	1.2
201.00156	0.6
203.03922	0.6
205.06755	1.7
210.98433	3.3
213.00024	1.5
216.99522	46.5
221.03287	0.3
221.99991	1.1
222.98364	1.5
225.00032	0.5
227.01660	0.4
227.03777	0.5
228.99524	9.1
234.98392	3.0
239.04318	3.6
240.00961	0.3
240.99516	9.1
243.01048	0.5
243.79884	0.3
245.04961	4.4
247.00589	2.1
249.05469	0.4
252.99463	2.8
257.05249	0.5
259.00519	7.9
263.06085	0.5
264.99445	0.3
271.00284	0.4
277.01608	2.0
281.04874	0.4
282.02307	0.3
283.00552	6.1
295.05927	0.4
296.06207	0.3
301.01575	14.5
302.02051	0.5
319.02600	5.0
342.04263	0.4
368.07230	0.5
369.06931	0.6
375.77576	0.3
379.09915	2.7
463.06781	30.6
481.07898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	2.9
55.05495	70.9
57.07059	15.6
59.04979	3.8
60.26053	2.9
61.20776	3.1
66.73126	3.1
67.05481	62.1
69.06681	4.6
69.07048	100.0
73.26137	4.1
79.05456	39.4
81.07030	87.2
83.08596	70.6
88.09129	4.0
91.05439	23.7
93.06997	38.4
95.08567	78.3
97.06490	7.5
97.10133	52.7
98.37266	3.6
105.06991	33.1
107.01132	3.3
107.08559	31.5
107.58514	3.2
109.10126	37.2
111.08053	5.0
111.11678	21.8
117.07014	4.6
119.08553	26.1
121.10104	32.8
121.58934	3.6
123.11668	17.1
125.09596	7.5
133.10069	21.8
135.11659	37.1
137.13239	5.4
138.39276	3.7
147.11635	21.8
151.11125	5.0
153.12698	6.5
159.11723	3.9
161.13188	20.0
165.12634	4.6
193.19637	5.1
217.19460	37.8
235.20499	37.4
253.21585	60.9
271.22601	50.1
286.01129	3.9
518.33331	5.7
541.34833	6.8
559.36108	13.6
574.03113	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	560.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01849	2.8
57.03419	0.9
58.59915	0.5
65.03902	1.4
67.05476	1.1
70.77489	0.6
75.04444	2.7
78.04665	1.1
78.49363	0.6
79.05465	9.1
80.09206	0.6
81.07034	0.9
85.02870	1.5
91.05448	15.5
93.03373	6.0
93.07006	5.8
95.04930	4.1
97.06523	1.5
103.05438	9.3
105.06998	32.6
106.04135	15.8
107.04927	7.2
108.05703	1.3
109.02820	0.7
109.06503	4.9
111.04427	0.9
115.05405	1.3
117.03390	0.7
118.04119	10.7
119.04926	6.3
120.05706	1.0
121.06464	21.5
122.07269	1.4
123.04401	1.5
123.08032	3.7
124.05151	3.0
125.05888	5.0
131.04872	4.5
132.05640	2.6
133.02808	3.3
133.06445	39.2
134.03593	3.2
134.07222	1.6
135.04341	5.6
135.07988	5.6
137.05939	18.2
139.07509	1.3
145.02823	1.4
146.03571	1.6
147.04391	1.6
148.05150	4.8
149.05934	30.7
150.06721	20.2
151.02081	0.8
151.07472	9.3
153.05420	1.3
153.09064	7.6
154.58066	0.7
161.05975	6.6
163.03850	1.6
163.07501	1.4
165.05418	5.2
165.09055	24.1
167.06972	21.1
177.05406	18.2
178.06166	1.5
179.01555	0.9
179.07001	3.8
181.08539	14.4
191.06943	6.1
192.07751	1.5
193.08543	100.0
197.08058	4.1
209.08026	52.5
211.09589	90.6
220.36430	0.8
292.00183	0.8
301.07285	4.4
313.07275	0.8
335.86484	0.7
352.84583	0.7
358.38617	0.7
559.30371	4.0
560.31165	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	559.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42560	1.4
54.80746	1.2
57.07048	3.2
63.12217	1.2
66.20004	1.2
92.95031	1.3
103.62242	1.5
113.21265	1.5
121.21020	1.3
124.35523	1.4
140.55167	1.6
145.29825	1.5
220.22389	1.5
247.13022	2.5
257.12918	1.5
303.15689	5.5
449.84750	1.6
559.39459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.4
53.03924	8.3
55.01848	1.6
55.05496	34.9
57.03424	16.2
57.07061	2.3
63.24883	1.4
64.16454	1.4
65.03910	2.5
67.05480	100.0
69.07040	22.6
71.04962	1.9
73.44865	1.4
79.05461	98.0
81.03398	7.9
81.07024	83.7
83.04957	15.1
83.08596	7.6
91.05441	69.4
91.86172	1.5
93.07004	84.6
95.04924	17.8
95.08572	63.9
95.09041	1.5
97.06506	2.8
97.10134	2.6
105.04415	2.3
105.06989	39.6
107.04939	3.5
107.08563	30.1
109.06488	6.9
109.10120	15.6
115.05407	1.5
117.06980	15.8
119.08533	28.1
121.10130	21.2
123.08032	2.2
123.11662	2.8
129.06999	11.9
131.08546	8.5
133.10089	13.3
135.08066	2.0
135.11649	10.5
139.73698	1.9
143.08516	7.0
145.10039	11.7
147.11642	26.0
149.13208	2.4
159.11632	2.3
161.13211	7.2
171.11609	12.9
173.13167	2.4
189.12689	3.2
207.13669	13.4
257.94214	1.8
261.22049	3.0
270.38535	2.1
281.17334	20.3
335.25735	47.4
347.37198	1.7
353.47427	2.3
401.45215	2.2
541.38696	65.8
559.39288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.7
63.62506	0.4
63.97253	0.4
65.24212	0.4
72.85641	0.4
74.02403	1.0
79.05486	0.4
85.02903	0.6
89.03888	3.0
91.05434	0.9
95.04927	0.5
107.04917	0.5
115.05384	1.9
117.03336	1.9
117.06951	0.8
118.06499	27.5
130.06454	2.1
132.08044	8.2
135.04361	5.3
136.04654	0.5
137.74522	0.4
142.06483	2.6
143.00102	0.7
143.07246	2.6
144.04459	0.5
144.08037	17.1
145.02783	3.6
146.05965	93.1
159.09119	9.7
160.07487	0.8
163.03839	16.1
164.04181	0.6
170.05945	7.6
188.07001	100.0
188.19386	0.5
189.07333	0.7
205.09663	26.1
295.05783	0.5
373.21689	0.5
399.95636	0.5
415.03244	0.6
576.15173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.2
55.01863	17.4
55.05498	64.6
55.12521	1.8
57.03416	13.3
57.07058	3.1
63.27537	1.8
67.05154	3.6
67.05484	74.7
69.03406	4.2
69.07040	25.1
69.07805	1.8
71.04952	4.6
79.05464	77.2
81.03394	15.5
81.07024	59.8
83.01318	8.7
83.04948	20.1
83.08595	35.7
85.02884	3.6
85.06539	2.9
91.05448	76.9
93.07014	64.0
95.04945	19.3
95.08572	40.9
95.59216	1.9
97.02869	4.6
97.06501	8.3
97.10137	33.9
105.07006	67.7
107.04951	9.6
107.08568	45.1
109.06503	8.2
109.10121	16.1
111.08063	3.6
115.05418	4.2
117.06983	37.2
119.08545	58.4
121.06438	4.8
121.10130	17.5
123.08025	4.6
123.11691	2.1
125.09579	23.7
128.06183	4.8
129.06976	30.1
131.08536	44.0
133.10092	32.3
135.08073	3.1
135.11670	11.6
137.09608	2.4
141.06995	8.0
142.07692	2.8
143.08531	26.8
145.06453	2.9
145.10098	38.4
147.08002	3.5
147.11623	21.0
149.01152	2.4
149.13219	2.3
153.12735	3.3
155.08510	11.8
157.10100	21.5
159.11676	20.3
161.09546	2.4
161.13203	15.1
163.11099	17.4
167.08545	3.0
169.10081	17.2
171.07991	3.9
171.11600	20.5
173.09592	7.8
173.13196	10.7
175.14751	2.7
181.10139	8.2
183.11598	15.8
185.09659	3.2
185.13203	16.9
189.11108	13.6
193.10040	3.1
195.11681	9.8
197.13213	13.2
199.14754	8.1
209.13315	3.4
211.14828	7.1
223.14766	3.0
224.12555	2.1
225.12683	2.8
227.12712	20.8
239.92072	2.2
241.19424	7.4
259.20456	20.5
266.59683	1.8
269.10181	2.6
269.22366	2.1
283.15186	16.4
297.22061	8.3
315.23132	10.0
333.24057	10.8
351.22961	2.1
431.29260	4.2
439.32205	2.8
449.30161	13.3
457.11349	2.4
467.31427	17.1
485.32449	10.2
513.35864	2.1
523.33783	11.6
537.36664	2.2
541.35089	100.0
559.36426	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	558.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	20.2
56.00459	2.6
56.82695	2.7
57.03404	16.0
57.07051	33.3
63.69236	3.1
67.05476	24.7
68.74602	2.9
69.07044	17.1
71.04958	4.0
71.08605	24.0
78.23576	3.1
79.05457	17.0
81.03387	66.7
81.07017	37.6
83.04940	12.8
83.08585	27.4
85.02864	21.6
85.10149	20.2
91.05437	18.2
91.66838	2.9
92.09332	10.7
93.06996	7.8
95.04930	26.4
95.08567	20.6
97.10136	6.5
98.22689	3.4
105.06996	13.6
107.08559	6.4
109.06514	5.7
109.10126	7.8
111.08040	7.0
119.08524	13.1
121.10088	6.9
129.06970	6.8
131.08511	13.0
133.00543	4.0
133.10103	4.0
147.11653	7.5
157.10059	7.4
159.21045	3.2
171.12413	3.0
175.11130	5.6
193.12192	35.6
211.13187	38.2
253.94235	3.4
285.16922	36.7
313.27243	52.8
523.39728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15831	1.0
53.00276	1.3
53.03913	1.8
55.01852	4.9
55.05247	1.3
55.05494	31.2
57.03417	35.7
57.07057	66.4
58.06168	1.0
59.04989	1.5
67.05479	43.6
67.86474	1.0
69.03399	3.9
69.07040	19.6
71.04962	4.7
71.08601	38.5
74.61034	0.9
78.98724	1.1
79.05011	1.5
79.05462	36.3
81.03385	80.7
81.06547	1.8
81.07025	52.4
83.04948	25.4
83.08591	37.5
84.92313	1.0
85.02866	36.3
85.06516	2.1
85.10141	23.0
89.05994	6.1
91.04897	2.2
91.05440	46.7
93.07001	25.3
95.04926	32.6
95.08567	39.8
97.02830	2.4
97.06476	5.7
97.10125	13.4
103.07622	1.1
104.14956	1.0
105.06997	34.6
107.04913	6.6
107.08563	10.7
109.06475	6.9
109.10120	17.0
111.04429	1.1
111.08054	12.3
113.05918	1.8
115.05448	1.7
119.08538	26.3
121.10087	11.0
123.08004	2.6
123.11652	6.8
129.06952	16.1
131.08521	17.7
133.06479	2.5
133.08493	1.5
133.10085	15.1
137.13240	1.4
142.07718	4.9
145.10143	1.9
147.07965	2.6
147.11632	15.8
149.09540	8.0
149.37601	1.1
157.10056	19.7
162.52229	1.1
165.12682	5.2
175.11125	18.1
190.97414	1.1
193.12163	43.6
211.13223	57.3
234.28760	1.1
249.53027	1.3
257.24615	2.1
267.15814	20.0
285.16852	65.3
299.88864	1.1
313.27252	100.0
505.38641	15.5
523.39746	86.8
524.40814	1.4
524.58386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68061	0.2
53.21913	0.2
61.02901	0.4
61.05216	0.2
70.06556	0.6
78.04705	0.2
79.05467	0.4
79.59888	0.3
81.07004	0.4
84.08105	0.3
85.02878	2.6
91.05412	0.4
97.02848	0.4
97.47446	0.3
105.06978	1.1
106.04144	0.4
107.04929	0.9
109.02866	0.3
121.06437	0.3
123.04385	3.0
124.05159	0.5
133.06418	0.5
136.07489	0.3
137.05934	1.1
149.05975	0.5
151.03885	0.4
152.04662	1.0
161.05945	1.0
167.06987	100.0
179.07010	0.3
181.08513	0.6
183.81369	0.2
193.08531	3.6
196.11491	0.3
211.09587	12.1
215.09686	0.3
379.17346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70289	0.5
53.00285	1.3
55.01863	0.7
55.05270	0.8
55.05495	11.6
57.03419	1.5
57.07050	4.2
59.04969	0.6
61.02899	3.5
67.05472	1.3
67.72728	0.5
69.03410	7.2
69.07044	100.0
71.04966	7.2
71.08626	4.7
72.99873	0.5
73.02884	1.1
73.06517	3.3
77.80515	0.6
79.05447	1.4
79.59274	0.5
81.03375	3.6
81.07030	1.3
83.04938	1.1
83.08589	3.7
85.02882	24.2
85.10162	1.5
89.05994	5.9
90.42334	0.6
91.03929	0.7
91.05444	1.4
92.09396	0.8
93.07012	3.5
95.08566	1.0
97.02842	6.6
99.04424	0.6
100.17132	0.6
105.07011	1.4
106.68764	0.6
107.08556	2.8
109.02856	3.0
109.10093	1.3
111.11686	90.0
119.08568	2.4
121.10156	1.5
123.11642	0.7
127.03852	6.2
129.12715	7.0
131.08522	0.6
133.10114	1.2
135.04367	0.8
137.05972	0.9
145.02762	0.7
145.04898	4.0
145.10088	1.1
147.04381	1.0
147.11684	1.1
149.02319	0.6
150.50587	0.7
157.09998	0.8
163.03825	8.0
163.06001	0.9
164.04207	2.6
173.13309	0.6
181.05019	1.0
199.16862	22.4
199.18646	1.0
217.17918	15.5
387.92435	0.7
516.56561	0.7
520.84369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62436	0.5
52.75753	0.6
55.01846	1.7
61.02905	0.7
65.03928	0.8
66.32790	0.6
67.05470	0.8
69.03401	2.7
75.26848	0.7
79.05464	6.5
84.75500	0.7
85.02864	4.6
91.05441	20.7
92.64819	0.8
93.06989	1.1
95.04922	4.5
95.91259	0.7
97.02838	2.8
103.05424	13.6
105.03379	0.7
105.06993	11.1
107.04214	1.2
107.04919	30.7
109.06457	1.8
115.05413	6.0
117.06998	1.4
118.04091	0.9
119.04892	18.6
121.06458	8.0
122.03610	1.5
123.08019	1.3
124.05137	0.7
128.06230	1.4
129.06967	8.9
130.04109	0.9
131.04889	19.9
131.08519	1.6
133.02808	7.0
133.06442	9.6
135.08011	9.8
136.05186	1.3
137.05930	87.4
145.06477	1.3
146.07207	2.8
147.04370	12.6
147.08002	1.5
148.05119	1.4
149.05936	11.9
150.06760	3.1
151.03822	1.0
151.07492	41.7
157.06400	7.6
161.05919	100.0
161.09544	20.7
162.06674	6.7
163.03830	1.2
163.06108	1.8
163.07480	46.7
165.05420	1.2
165.06924	1.3
165.08951	1.0
167.08498	5.0
174.06705	6.1
175.07509	11.2
177.09087	3.0
179.06967	4.6
179.08412	0.9
181.08551	8.4
189.09042	52.4
191.06921	1.7
193.06416	1.3
193.10126	2.8
194.07196	1.2
195.08008	9.7
199.18413	0.9
205.06450	0.8
207.10094	50.5
209.09540	2.9
210.06659	0.8
211.07423	0.9
219.10104	4.3
221.05888	1.6
221.09605	3.5
223.07576	2.8
225.09064	1.7
227.10605	10.9
235.07491	0.9
237.09105	1.6
239.06898	1.0
249.09035	3.0
251.06862	1.0
252.07579	1.1
253.08496	5.0
253.12125	4.8
255.10098	11.1
265.08472	3.6
267.09995	3.3
269.08008	1.7
270.08673	0.8
272.09943	0.8
281.11719	2.7
285.11044	8.9
287.12671	19.4
297.11124	1.6
299.12735	4.4
311.12704	10.6
313.14243	18.9
331.11356	1.6
331.15280	48.3
343.15143	5.5
454.76294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
56.27235	0.7
58.26380	0.8
61.02907	1.4
64.96738	0.8
65.03915	1.2
69.03398	4.4
71.04947	1.2
79.05460	4.8
81.03368	1.9
84.98192	0.8
85.02879	11.3
89.73672	0.8
91.05442	25.5
94.63696	0.9
95.04928	3.8
97.02843	4.3
102.04674	1.4
103.05432	24.5
105.07000	10.2
107.04915	37.6
109.02822	1.1
109.06450	1.5
115.05397	4.7
117.06960	3.5
117.31582	1.1
119.04897	20.7
120.05650	1.0
121.06469	7.0
122.03606	5.6
127.03859	1.8
128.06219	1.5
129.06926	7.5
130.04100	1.3
131.04886	31.8
131.08476	1.7
132.05611	1.4
133.02773	1.2
133.06462	9.3
135.08023	9.7
136.05144	1.3
137.05936	100.0
143.04935	1.1
145.06445	1.5
146.07245	1.7
147.04356	16.3
147.08031	1.2
148.05197	2.2
149.05908	8.2
151.07494	38.2
157.06438	4.8
161.05917	77.1
161.09563	19.8
162.06685	8.8
163.07477	52.5
165.06889	1.5
167.08487	4.2
168.87459	1.0
174.06728	4.9
175.07498	14.5
177.05472	1.7
177.09052	11.5
179.07001	7.0
179.10602	1.0
181.08569	6.2
189.09036	45.1
191.06987	2.0
193.06342	1.5
193.10033	1.7
194.07182	1.3
195.07982	8.2
206.07364	1.0
207.10089	40.9
209.09773	1.3
210.06708	1.3
212.08290	1.3
219.08270	1.1
219.10144	9.1
221.05902	3.7
221.09508	3.3
221.11681	1.1
223.07457	4.0
225.09103	3.5
227.10590	12.2
237.08948	1.3
249.09018	1.7
253.08444	3.7
253.12126	3.5
255.10022	8.9
261.08911	1.1
265.08453	1.7
267.10086	1.3
269.07855	2.0
281.11655	1.6
284.10275	1.3
285.10989	7.2
287.12738	16.3
297.11176	1.7
299.12589	4.3
311.12613	17.6
313.14175	16.2
325.14001	1.6
331.15262	44.6
331.19150	1.9
343.15195	5.4
442.75705	1.1
580.43188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73125	0.4
53.03923	1.1
55.01854	3.6
57.03411	3.0
60.93481	0.5
61.02896	2.9
61.47017	0.4
63.86523	0.5
65.03929	0.6
69.03406	11.8
70.09180	0.6
71.01351	0.6
71.04047	0.5
71.04951	0.6
73.02898	1.3
77.03885	0.6
78.98729	0.5
79.05470	4.4
81.03382	7.1
82.26568	0.5
83.73639	0.5
85.02873	18.2
87.04421	0.9
89.03877	0.6
91.05441	15.4
93.06988	2.2
94.04143	0.8
94.71191	0.5
95.04925	3.9
97.02853	7.7
97.73177	0.5
99.04432	0.9
103.03907	0.6
103.05428	16.6
105.06992	21.0
106.58572	0.5
107.04916	33.0
109.02840	4.2
109.06503	1.4
111.04414	1.1
115.05444	5.4
117.06998	2.3
119.04899	14.5
119.08551	0.6
121.06466	12.3
122.03598	4.5
125.05993	0.6
127.03883	4.8
129.06961	6.7
130.04054	1.1
131.04880	20.4
131.08542	2.2
133.02800	18.5
133.06436	19.2
135.04367	3.5
135.08006	10.8
136.05122	0.6
137.05930	100.0
141.06978	0.6
143.04886	2.3
144.05627	1.1
145.04962	2.2
145.06445	3.7
145.07497	0.9
145.81807	0.5
146.03575	0.7
146.07228	3.2
147.04366	17.4
147.08005	0.9
148.05148	3.5
149.05931	22.6
150.06766	5.3
151.03841	0.7
151.07494	27.5
153.06966	0.6
153.72202	0.6
157.06418	5.8
158.07201	0.8
159.07985	1.3
160.05118	1.1
161.05919	79.1
161.09544	19.4
162.06708	7.4
163.07477	55.6
163.08902	0.7
165.05450	4.2
165.06860	1.0
165.09024	5.8
167.06964	3.4
167.08423	1.2
169.06485	1.1
171.04523	0.6
173.06007	0.6
174.06657	4.2
175.07460	10.8
176.08308	0.5
177.05421	5.1
177.09047	3.4
179.06963	15.7
181.06569	0.5
181.06906	0.6
181.08522	8.4
183.07936	0.7
186.06754	0.6
187.07495	1.3
189.05373	1.2
189.09035	41.8
191.06947	7.4
193.06444	0.8
193.08513	2.9
195.07983	4.8
195.09949	1.1
197.05969	0.8
199.07452	1.3
201.09135	2.0
203.06952	4.2
205.06535	1.1
205.08569	1.1
207.10089	51.4
210.06697	0.6
213.08965	0.9
215.06964	2.5
217.08508	1.1
219.10135	2.9
221.05923	3.2
221.09602	1.2
223.07516	2.4
224.08240	1.1
225.09009	2.2
225.11171	0.9
227.10468	4.6
229.08513	3.1
231.10066	1.0
233.07938	1.0
237.08974	0.9
241.08670	1.2
247.09612	0.7
249.08878	1.0
249.11206	1.1
253.08569	1.3
253.12138	2.7
255.10091	4.0
257.07846	0.7
263.09180	0.7
264.62192	0.7
265.08508	0.8
267.09991	1.1
269.07974	0.8
273.11078	4.0
285.11136	6.0
287.12665	4.1
291.12146	8.4
293.10229	0.9
297.11050	2.8
299.12753	1.3
309.13489	2.0
311.11072	1.0
313.14175	7.7
323.11084	2.7
325.14175	0.9
331.11365	1.0
331.15259	25.2
341.12299	0.7
343.15326	8.6
476.79486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.6
54.81559	2.9
55.01871	4.0
55.05500	38.9
57.03415	14.3
57.07052	4.9
61.59788	3.2
67.05482	64.4
68.07607	4.0
69.07043	25.1
71.04976	4.3
74.14253	3.2
79.05463	57.4
81.03378	5.4
81.07019	59.2
83.04946	6.0
83.08593	8.1
87.24706	3.6
91.05447	59.9
93.07016	55.6
95.04934	15.4
95.08565	43.3
97.06497	8.4
97.10107	6.1
100.30676	3.3
105.06991	62.6
107.04943	4.9
107.08539	26.6
109.10151	7.2
115.05422	4.9
117.06973	24.0
119.08522	41.9
121.10075	7.2
125.63989	3.5
128.06175	5.7
129.06963	25.5
131.08519	30.1
133.10124	27.2
135.11691	5.1
141.06969	8.2
142.07756	7.0
143.08531	38.2
145.10104	35.8
147.11671	33.7
149.13185	4.3
155.08521	35.3
156.09314	5.1
157.10097	23.1
157.16112	3.3
159.11623	23.6
161.13197	16.4
167.08522	13.4
168.09192	4.7
169.10017	25.2
171.11674	33.9
173.13223	8.9
179.08557	5.4
181.10080	15.9
183.11671	28.4
183.13060	3.4
185.13176	17.8
195.11656	18.5
197.13162	15.6
199.14755	7.2
199.53984	3.3
209.13162	5.6
211.14780	16.6
223.14758	6.8
226.16943	4.3
237.16208	5.9
241.19499	8.3
259.20511	8.0
281.17401	5.2
410.96448	3.9
429.30847	5.0
437.33768	4.8
447.32312	16.7
465.33505	7.7
483.34305	19.4
521.36053	5.6
539.37189	100.0
557.38550	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	558.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01853	4.2
57.03402	0.7
58.99570	0.6
61.02893	0.6
65.03913	5.1
67.05469	1.7
75.04436	6.1
78.04659	3.4
79.05447	4.8
80.21592	0.5
81.07012	0.5
85.02872	5.4
86.99010	0.4
89.03866	2.2
89.05999	1.0
91.05437	21.7
93.03368	18.3
93.06997	11.2
95.04919	11.1
97.06467	5.5
103.05430	11.9
105.03349	0.7
105.04447	0.9
105.07027	4.0
106.04131	57.4
107.04890	5.0
109.06485	2.7
109.44692	0.4
110.03597	0.5
111.04381	0.8
115.05402	0.5
115.35180	0.4
117.03323	2.4
118.04092	0.7
119.04872	2.8
120.05640	0.7
121.06456	62.8
122.07262	0.8
123.02570	0.8
123.04359	2.5
123.07996	0.9
124.05143	0.8
125.05944	14.8
131.04881	4.8
131.05748	0.5
132.05637	0.8
133.02809	3.6
133.06429	2.7
134.03577	9.3
135.04330	2.7
137.05927	11.1
138.06706	3.1
139.07510	6.3
145.02788	2.4
146.03560	0.5
147.04311	1.8
148.05124	5.6
149.05922	86.0
151.02034	2.0
151.03847	0.8
151.07491	3.4
152.08282	0.7
153.05388	4.2
153.09045	22.4
161.05925	2.6
162.03070	0.8
163.03790	0.6
163.07513	3.6
165.05359	4.3
166.06166	3.2
167.06975	8.7
177.05396	40.6
179.01517	1.0
179.06976	0.5
180.07747	2.6
181.08511	29.4
191.06935	7.1
192.07808	1.7
193.08493	2.5
197.08002	3.5
209.08006	100.0
210.08305	0.9
245.96344	0.5
301.07330	2.3
313.07184	0.9
321.22119	0.5
369.13196	2.3
383.14667	2.5
387.14316	4.3
419.16785	0.6
558.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.7
53.03922	5.9
55.01850	7.0
55.05244	1.6
55.05498	37.4
57.03426	13.3
57.07047	7.0
59.04962	2.2
67.05482	70.2
69.07035	24.8
71.04967	3.0
79.05003	3.1
79.05462	67.0
81.03375	3.2
81.07027	64.7
83.04944	7.9
83.08591	14.5
85.02879	1.7
85.06517	1.8
91.05442	77.8
93.07012	56.9
95.04942	18.4
95.08573	47.7
97.06497	7.0
97.10103	7.6
103.05416	2.2
105.06998	70.5
107.04899	6.2
107.08559	28.0
109.06484	3.2
109.10116	12.0
111.08069	2.1
115.05443	2.6
117.06970	26.0
119.08543	49.3
121.06441	2.1
121.10127	13.0
123.07997	2.2
123.11668	2.5
123.76725	1.4
128.06160	7.1
129.06955	34.8
130.07751	1.7
131.08521	44.8
133.10081	29.9
135.08037	2.3
135.11642	8.7
141.06900	10.5
142.07716	8.1
143.08530	38.0
145.06403	2.0
145.10086	39.7
147.07973	2.0
147.11655	27.6
149.13153	2.9
154.07712	2.8
155.08508	32.7
156.09299	3.1
157.10077	33.5
159.11630	26.2
161.13190	13.5
166.07715	2.1
167.08527	14.4
168.09311	1.8
169.10052	32.7
170.10820	2.0
171.08047	1.9
171.10292	2.6
171.11626	35.0
173.09636	2.1
173.13216	16.0
175.14737	6.9
176.15662	1.5
177.12715	1.7
179.08475	5.4
181.10046	22.3
182.10837	2.8
183.11632	27.9
185.13208	19.2
187.14781	9.2
189.12689	2.9
193.10045	7.0
195.11653	16.3
196.12454	1.7
197.13225	18.7
199.14783	9.2
207.11612	6.2
207.13742	3.6
209.13174	12.6
211.14783	12.3
213.16418	6.2
219.11703	2.7
221.13232	3.0
223.14740	9.7
225.16307	3.0
231.21101	2.2
235.14734	2.6
239.17928	2.6
241.19450	7.8
247.14696	2.0
259.20456	17.3
281.17325	14.0
297.18658	1.9
313.21524	1.8
315.22760	2.1
321.22037	1.9
333.24054	3.4
339.22995	1.9
349.25159	1.9
353.24478	2.1
429.31293	6.5
437.33896	6.9
447.32407	17.9
465.33524	17.1
483.34494	18.0
501.35602	2.3
521.35675	8.0
529.38275	3.2
539.37103	100.0
557.29797	2.4
557.38153	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	557.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
57.03435	0.3
63.89782	0.3
67.05494	0.4
69.03396	0.6
69.07031	0.5
79.05479	0.6
81.07027	2.1
82.07342	0.3
83.04957	0.4
85.02884	1.7
91.05470	1.7
93.07010	1.5
95.04944	1.5
95.08593	0.8
103.05453	1.4
105.07001	1.6
106.07394	0.5
107.04948	0.5
107.08582	0.8
109.02804	0.5
109.06498	0.5
109.10135	0.7
119.04922	2.3
121.06466	0.4
121.10124	0.7
123.08022	0.4
123.11652	0.5
125.05970	0.4
125.09628	0.4
131.04875	5.1
132.05223	0.8
133.06483	0.8
133.10144	0.5
134.06683	0.4
135.04276	0.5
137.05942	6.8
138.06288	1.6
147.04393	1.9
149.05931	0.7
151.07521	2.6
153.05420	0.5
161.05945	0.9
162.06642	0.6
163.03896	0.7
163.07480	3.8
164.07770	0.4
167.06921	1.1
177.05414	0.6
179.07011	2.1
181.04915	0.7
267.02975	0.6
314.34137	0.5
327.12097	0.7
328.12558	0.8
329.19778	0.4
346.13446	0.4
359.14899	0.6
365.22781	0.7
395.23923	2.2
527.28162	7.1
557.29138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2919
Annotation	Artocommunol CB
Peak:m/z	Relative Intensity
55.05498	0.6
57.03435	0.3
63.89782	0.3
67.05494	0.4
69.03396	0.6
69.07031	0.5
79.05479	0.6
81.07027	2.1
82.07342	0.3
83.04957	0.4
85.02884	1.7
91.05470	1.7
93.07010	1.5
95.04944	1.5
95.08593	0.8
103.05453	1.4
105.07001	1.6
106.07394	0.5
107.04948	0.5
107.08582	0.8
109.02804	0.5
109.06498	0.5
109.10135	0.7
119.04922	2.3
121.06466	0.4
121.10124	0.7
123.08022	0.4
123.11652	0.5
125.05970	0.4
125.09628	0.4
131.04875	5.1
132.05223	0.8
133.06483	0.8
133.10144	0.5
134.06683	0.4
135.04276	0.5
137.05942	6.8
138.06288	1.6
147.04393	1.9
149.05931	0.7
151.07521	2.6
153.05420	0.5
161.05945	0.9
162.06642	0.6
163.03896	0.7
163.07480	3.8
164.07770	0.4
167.06921	1.1
177.05414	0.6
179.07011	2.1
181.04915	0.7
267.02975	0.6
314.34137	0.5
327.12097	0.7
328.12558	0.8
329.19778	0.4
346.13446	0.4
359.14899	0.6
365.22781	0.7
395.23923	2.2
527.28162	7.1
557.29138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40805	2.1
55.01859	4.1
55.05501	16.9
57.03431	19.6
57.03667	2.6
57.06792	2.8
57.07058	50.1
62.07092	1.9
65.55851	1.9
67.05478	26.8
69.07053	19.5
71.08601	30.8
79.05457	28.7
81.07027	35.9
83.04936	5.1
83.08582	20.3
84.28210	2.5
85.10139	17.9
89.05991	14.4
91.05433	2.7
92.08697	3.9
93.07006	48.0
95.04926	4.6
95.08569	71.8
97.02865	3.6
97.06470	2.7
97.10179	3.0
100.85898	2.3
105.06957	5.2
107.04904	5.1
107.08566	38.4
109.06458	4.0
109.10109	12.5
117.06978	14.5
119.08558	5.8
121.06503	5.9
121.10128	19.9
125.05956	2.2
133.08554	3.9
135.11642	56.9
145.10088	43.3
163.11131	80.2
181.12151	11.0
227.12701	71.0
247.20125	2.8
267.92361	2.8
283.15292	63.0
283.26382	3.2
287.61603	2.5
313.27264	100.0
371.22720	3.9
521.38153	86.8
556.52832	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	556.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	2.0
53.03937	2.6
55.01854	13.3
55.05500	34.7
57.03418	34.6
57.06784	3.3
57.07057	65.6
59.04977	8.5
60.04494	2.8
67.05482	25.9
69.07037	14.9
71.04958	4.8
71.08603	41.6
77.17752	2.1
77.19827	2.2
79.05470	25.9
81.03390	13.8
81.07022	39.9
83.01309	14.5
83.04943	13.9
83.08588	25.3
85.02871	4.0
85.10152	20.0
89.05495	3.2
89.05979	22.3
91.05421	17.1
93.07006	36.9
95.04903	9.1
95.08560	37.6
97.02867	2.5
97.06476	5.2
97.10130	5.6
105.06985	10.5
107.04944	10.7
107.08572	16.7
109.06480	10.6
109.10120	10.3
117.06979	11.2
119.08554	9.9
120.77994	2.2
121.10044	7.5
123.08040	11.7
133.08545	8.8
135.11630	13.8
145.10085	17.6
147.91486	2.2
163.11099	24.3
209.11711	4.1
233.47284	2.3
283.15289	97.0
300.29044	3.5
313.27255	100.0
313.30859	3.6
371.22858	3.4
417.84680	2.3
521.38208	63.6
539.36115	2.4
556.52264	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	557.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96530	15.3
63.05188	8.6
69.03412	10.1
78.10801	8.2
85.02857	10.4
85.56916	9.9
86.21906	9.2
89.54597	9.0
97.02872	11.0
98.97536	23.2
101.00877	16.1
109.46398	9.7
116.98591	13.0
119.01881	93.6
123.28125	9.5
131.01863	44.5
137.02902	21.1
143.01871	22.0
145.03441	79.4
146.99586	15.1
147.04305	16.5
155.01869	17.7
157.03412	19.1
159.04965	21.5
161.01132	22.1
161.02930	64.7
163.04491	20.5
169.03362	45.7
172.95155	15.4
173.02890	70.5
177.00484	15.8
179.02103	11.3
185.02821	55.7
187.04472	100.0
189.02417	22.3
190.96252	9.2
197.02919	22.8
199.04504	42.3
201.00523	12.1
203.03975	41.7
211.04507	18.3
213.02318	12.2
214.96368	11.7
215.03938	12.8
219.01598	12.6
231.03419	41.8
245.04959	92.6
246.91069	10.1
263.06097	10.7
275.02429	37.9
275.05972	19.1
295.05573	10.9
305.03708	19.3
333.07544	44.8
377.05685	18.6
395.06598	60.5
557.11737	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	556.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
53.63352	0.7
54.80791	0.7
55.01848	2.2
55.05492	18.4
55.21069	0.7
56.44766	0.7
57.03424	7.6
57.07056	2.1
61.02902	6.2
65.03908	0.8
67.05479	24.1
69.03406	14.9
69.06680	1.1
69.07041	25.8
71.04958	9.9
73.02894	1.1
79.05467	18.3
80.05036	0.9
81.03387	6.3
81.07024	76.4
83.04956	7.6
83.08588	18.4
83.48699	1.0
85.02873	54.2
85.06511	10.1
91.03918	1.8
91.05444	20.3
93.07005	35.2
94.06515	4.8
94.07276	1.0
95.04919	5.5
95.07316	4.8
95.08566	97.9
96.08083	11.6
97.02849	16.2
97.06498	16.5
97.10123	10.6
99.04409	2.0
99.08047	7.6
105.06994	31.2
107.08556	17.8
108.08095	7.7
108.08858	1.3
109.02833	4.8
109.06468	6.8
109.10111	10.1
110.09647	21.9
111.08035	9.6
113.09617	4.0
115.07560	1.5
117.06973	0.9
119.08531	46.7
120.08057	12.4
121.06465	1.8
121.10091	18.1
123.08036	10.5
123.11659	7.2
125.09584	1.4
127.03860	11.2
127.07497	3.7
133.10085	36.7
135.11644	22.9
136.07553	4.7
137.05940	3.4
137.09561	5.4
137.13205	21.3
138.09079	18.5
141.09055	1.2
145.04901	9.8
145.10094	0.9
146.06009	1.2
147.04332	0.9
147.11661	1.4
148.07541	2.0
149.13184	2.0
151.11131	1.5
155.10587	1.5
159.01767	0.9
161.13194	100.0
163.03818	1.3
163.05980	1.3
166.08571	22.2
167.06966	6.2
167.10580	1.0
179.14241	91.0
180.08621	1.2
197.15303	57.1
215.16362	25.8
215.18286	1.6
223.08426	1.1
225.10217	1.3
234.00479	0.9
237.10127	6.0
239.08057	1.7
239.11613	1.7
241.09668	2.1
251.07965	1.4
253.09564	8.5
265.09610	15.0
266.10254	1.1
267.11234	2.0
281.09143	8.8
283.10672	5.7
293.09055	10.1
295.10739	6.7
299.10339	1.6
305.24567	1.6
311.10089	6.8
321.08691	3.9
323.25568	4.2
325.11108	1.5
327.09604	6.2
339.09628	11.2
341.26718	1.2
353.11215	1.6
359.11877	9.2
371.12201	5.2
418.17490	1.9
446.16965	2.1
464.18237	9.3
492.17374	21.2
506.19000	1.7
524.20081	7.9
556.27441	1.8
557.29425	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	556.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.4
53.03923	1.8
53.12700	0.4
54.80573	0.5
55.01849	2.7
55.05488	1.8
56.69512	0.4
56.96528	0.4
57.03413	1.1
61.02910	1.7
67.05474	2.1
69.03404	10.4
69.07043	4.6
70.06522	0.5
71.04938	1.0
73.02875	1.0
78.26604	0.4
79.05455	2.5
79.05905	0.4
81.03384	7.5
81.07034	7.1
83.04924	0.8
83.08603	0.8
85.02876	21.0
87.00796	9.3
89.03880	0.8
90.58111	0.4
91.03909	0.5
91.05453	4.3
92.13228	0.5
93.07013	3.7
94.04139	2.0
95.04931	2.0
95.08576	2.8
97.02851	9.3
97.06506	0.7
99.04399	2.9
101.02321	0.8
105.01827	9.1
105.06989	2.9
107.04922	0.6
107.08554	2.9
109.02837	6.5
109.06482	2.5
109.10121	2.4
111.04432	0.5
111.08047	2.0
111.11688	0.8
116.10834	0.5
117.03339	5.6
119.04864	1.7
119.08535	2.0
121.06454	2.1
121.10132	1.7
122.03615	6.5
123.11668	3.0
125.06010	0.6
127.03873	11.6
131.04930	0.8
133.10069	0.6
134.03593	0.5
135.04366	0.8
135.08072	0.5
135.11707	0.6
137.05934	100.0
138.06253	0.7
142.25246	0.5
145.02800	19.1
145.04782	3.9
145.10106	0.5
147.02942	0.6
147.04355	0.9
147.11667	3.2
149.05893	3.4
151.07509	3.6
151.11116	0.9
153.05338	0.6
155.08585	0.5
159.02875	2.5
161.05984	0.6
163.03859	2.1
163.07518	0.7
165.12740	1.0
167.07088	0.5
174.06656	0.6
175.07547	0.9
177.05403	31.5
179.06924	0.9
181.06424	1.1
187.07494	0.5
201.09097	0.7
213.07317	0.4
213.08972	3.6
219.09969	0.5
225.09030	0.5
229.14243	0.7
231.04990	3.4
231.08060	0.5
248.08223	0.9
249.05980	2.6
257.09567	0.7
259.09613	3.4
273.03894	0.5
274.09760	0.9
276.07550	0.5
277.08334	0.6
283.09564	0.7
285.08929	1.8
286.09964	0.5
289.12106	0.8
291.10156	1.0
301.08621	0.6
302.09174	0.5
303.10089	0.9
305.11838	0.5
305.24835	0.7
307.09625	0.8
309.11026	0.5
315.09601	0.5
317.11682	2.5
321.10730	0.7
323.25552	0.7
329.11728	0.9
333.11099	0.9
335.12698	0.9
337.16336	0.5
339.10474	1.9
341.13803	0.6
349.14169	0.9
353.13779	0.7
355.16180	0.6
361.14294	0.5
367.15295	10.5
379.15082	1.9
397.16299	2.6
491.20541	1.9
503.20224	3.1
521.21594	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	554.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58591	6.1
57.07061	53.6
60.54496	6.0
67.05457	7.2
71.08598	38.9
78.19893	7.2
85.10181	7.8
89.06000	100.0
91.05782	65.2
95.08601	8.7
112.28983	7.9
129.60976	7.8
133.08534	28.5
177.11186	9.6
223.06261	12.3
225.04204	41.4
226.04190	11.0
243.77989	9.2
268.97849	10.3
285.00891	28.7
286.84061	8.1
299.06030	37.8
299.29214	8.1
313.32251	7.9
327.19867	8.5
371.10443	9.4
537.43048	14.6
554.45874	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	556.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85086	0.8
53.29424	0.7
55.01856	1.4
57.03415	0.9
57.20300	0.7
58.62097	0.7
68.80180	0.7
69.03393	5.4
73.02902	1.5
79.05448	3.7
81.03371	1.5
81.07008	1.1
83.04927	1.0
85.02882	14.0
87.04456	1.0
91.05441	7.5
92.16888	0.9
93.07017	5.6
95.04929	3.5
97.02866	4.8
103.05439	5.6
105.06995	2.2
106.04098	1.1
107.04925	12.5
107.08562	1.0
109.06457	1.6
111.04391	1.3
115.05429	1.1
117.06979	1.7
119.04910	2.2
119.08548	0.9
121.06454	8.9
121.49440	0.9
122.03559	0.9
123.04369	9.1
124.05146	1.3
125.05921	1.5
127.03874	1.7
128.06184	2.1
129.06955	22.6
130.23944	0.9
131.04868	11.5
131.08554	2.0
133.06430	3.2
135.04309	1.6
135.08038	1.3
137.05930	49.5
143.04854	1.7
144.05658	1.1
145.02762	1.9
145.04866	1.5
145.06432	3.8
147.04367	20.4
147.08020	6.8
149.05937	11.8
149.13147	1.1
151.07526	4.9
152.04729	1.3
153.05429	8.1
155.06996	1.1
157.06415	15.5
159.07928	1.6
160.05139	3.7
161.05930	7.5
163.03860	1.6
163.07475	6.6
165.05423	1.2
165.06876	1.2
166.06172	1.9
167.06976	55.7
167.08415	2.0
171.07925	0.9
172.05118	1.5
173.05920	1.7
173.13153	0.8
174.06679	3.7
175.05957	1.8
175.07481	49.8
177.05396	2.1
177.06924	1.2
177.09047	1.5
179.06946	3.6
180.07794	4.8
181.06703	1.8
181.08534	30.5
187.07463	18.8
189.09018	13.4
191.08435	1.0
193.08554	5.7
195.08025	5.1
197.09590	1.7
198.06776	1.6
199.07422	1.6
201.46539	0.9
205.08485	5.0
208.08733	1.2
209.05836	1.1
209.15318	1.5
211.07434	4.3
213.08980	0.9
217.08571	3.9
219.07996	2.1
219.09962	1.2
221.06059	1.1
222.06680	1.1
223.07500	5.0
225.09108	1.4
227.06844	0.9
231.08195	1.2
233.09512	1.2
233.63663	0.9
235.09564	17.6
237.09044	1.3
239.06914	2.1
240.07784	1.8
241.04962	0.9
241.08542	4.9
243.10081	3.6
247.07448	2.1
248.08392	1.1
251.06966	2.0
251.10590	4.2
253.08511	3.6
255.06505	1.3
255.10133	1.0
263.10696	1.3
265.08582	1.5
268.07098	1.0
269.07990	4.8
269.11450	1.2
270.08746	3.4
271.09506	6.5
279.10074	3.9
283.09607	3.4
283.13055	0.9
288.09769	1.6
291.09860	3.0
297.10971	2.0
301.10611	13.8
303.12454	2.9
311.12704	9.8
323.12650	4.6
329.13751	14.1
341.13715	8.4
347.14771	100.0
348.15021	1.7
354.92490	1.0
376.46548	1.0
523.60815	1.0
551.48657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95761	1.8
55.01852	3.8
55.05488	27.6
57.03412	4.8
57.07053	4.7
58.43743	1.7
61.06531	1.9
61.67722	1.9
62.43345	1.8
67.05480	25.2
69.03393	11.1
69.07049	25.0
71.04955	7.7
79.05451	29.8
81.03368	4.1
81.07021	67.4
83.04964	3.3
83.08585	17.6
85.02876	10.4
85.06507	3.1
85.40952	2.2
87.00782	2.9
90.66264	2.0
91.05436	32.3
93.07002	70.9
95.04925	13.9
95.08564	68.0
97.02834	10.2
97.06499	10.1
99.04401	2.8
99.08041	10.2
105.06985	64.9
107.08553	88.6
108.08837	2.3
109.02857	3.0
109.06474	13.9
109.10110	33.4
111.04369	3.3
111.08054	4.4
113.05916	2.7
114.35701	2.5
117.05533	2.2
117.06953	14.6
119.07736	4.0
119.08538	100.0
121.06449	35.8
121.10103	41.8
123.08035	5.1
123.11652	12.5
125.09618	2.4
125.75787	2.2
128.06149	2.3
129.06958	12.2
130.07739	2.4
131.08505	53.8
133.06361	2.5
133.10092	58.8
135.08009	18.3
135.11658	21.2
137.05948	2.7
137.09552	8.4
137.13217	4.5
141.06978	2.7
142.07811	3.4
143.08549	32.8
144.09294	2.6
145.06461	2.7
145.08995	3.3
145.10078	65.6
147.07964	11.9
147.11627	40.9
149.09590	10.2
149.13220	13.9
153.06856	2.1
155.08522	18.6
156.09268	4.0
157.10051	35.2
158.10832	3.8
159.07954	8.5
159.11620	44.1
161.05962	3.0
161.09612	16.4
161.13168	24.5
163.07489	2.8
163.11121	8.7
163.14743	17.6
165.06847	2.6
165.09021	4.1
167.06978	11.1
167.08345	2.4
167.10516	2.3
169.10013	21.5
171.11633	32.2
173.09558	10.1
173.13179	38.2
175.07581	2.6
175.11122	15.3
175.14740	17.3
177.09026	2.4
177.12648	4.4
177.16341	5.1
179.14261	3.0
181.10033	11.8
183.11571	23.1
185.09526	4.0
185.13206	26.8
187.07309	2.4
187.11131	9.8
187.14738	52.5
189.09109	2.9
189.12711	13.2
189.16284	13.0
193.09944	3.1
193.12088	2.6
194.10806	2.1
195.11623	11.3
196.12447	2.4
197.13136	17.2
199.11096	11.8
199.14786	11.6
201.12656	9.2
201.16316	14.5
203.14151	3.7
203.17865	8.3
205.10098	2.9
205.12051	3.2
205.15767	4.4
207.11478	4.6
209.13245	7.8
211.14719	11.3
213.12708	16.2
213.16321	4.6
215.14215	9.7
217.15819	2.7
217.45491	2.2
219.13715	4.0
221.13106	8.1
223.14807	4.9
225.16245	4.8
227.14334	4.8
229.15913	2.5
231.13744	2.9
235.14836	8.4
237.16397	3.3
243.13556	2.3
245.15303	5.2
249.16245	3.4
251.17726	2.6
265.19565	2.8
337.21475	3.1
389.28308	4.6
401.27917	2.2
403.30078	2.2
407.29199	9.4
409.30875	4.2
419.29367	17.6
425.30518	9.2
427.31842	3.0
435.28650	5.2
437.30209	21.6
439.28159	9.9
441.29883	4.2
453.29709	13.7
455.31500	16.0
457.29147	15.1
461.77954	2.5
465.29663	17.0
471.30853	20.3
473.32260	12.1
483.30896	34.2
486.69339	2.4
489.31577	12.5
491.32605	2.1
501.32065	55.9
519.32916	71.1
537.34106	3.1
554.26605	2.5
555.27094	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	554.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.5
55.01859	7.3
55.05498	17.8
57.03426	2.6
57.07053	9.8
59.04980	6.8
61.02921	1.6
67.05481	27.5
67.12199	1.8
68.15220	1.8
69.03400	27.3
69.07038	30.2
71.04961	22.5
79.05462	14.9
79.57774	1.9
81.03406	3.6
81.07024	87.3
83.04958	8.7
83.08586	4.6
85.02869	17.7
85.06519	16.5
91.05445	19.5
93.07004	52.8
95.04951	13.6
95.08569	81.2
97.02856	40.0
97.06504	17.9
97.10152	3.3
98.92034	2.0
99.08045	9.3
105.06981	24.1
107.04932	3.2
107.08557	47.8
109.02837	2.5
109.06482	15.1
109.10119	44.5
111.04427	2.1
111.08041	38.5
111.11662	3.3
117.06992	2.2
119.08543	26.4
121.06477	6.6
121.09275	3.7
121.10104	54.1
123.08042	12.1
123.11669	52.7
125.09561	31.7
129.06914	2.5
131.08521	7.3
133.10098	19.1
135.08002	8.7
135.11621	23.2
135.38286	2.0
137.09567	38.3
137.13231	6.6
139.11136	14.4
141.09073	4.5
143.08525	3.8
143.44283	1.8
144.09430	2.1
145.10051	18.0
147.11638	19.5
149.09558	9.4
149.13251	2.9
151.11143	16.4
153.12662	12.8
155.10580	2.6
157.10100	8.0
159.11647	21.3
161.05934	2.2
161.09436	2.0
161.13191	6.7
163.03850	2.1
163.11107	10.3
163.14778	3.2
165.12721	7.9
167.06981	22.0
167.10593	8.4
168.07318	10.2
169.12213	3.9
171.11633	2.5
173.13185	7.0
175.14790	8.9
177.05365	2.4
177.12675	7.2
179.14168	2.0
181.12195	3.1
182.12880	4.3
183.11543	2.2
183.13777	2.4
187.14796	8.0
189.16232	2.3
191.14229	2.2
199.14845	4.1
205.15858	4.6
207.13727	2.2
211.09563	1.9
211.14893	2.2
213.16449	2.1
215.17868	3.8
217.15836	2.7
219.17348	3.5
233.18884	4.1
267.21014	3.8
273.22055	2.6
285.22150	12.6
291.23065	9.2
303.23138	48.5
308.67139	1.8
309.23944	7.4
321.24142	100.0
321.27933	3.8
339.25131	47.6
339.28876	3.1
357.26331	16.0
449.01187	2.1
464.54568	1.9
513.61609	1.9
520.03540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49809	0.4
52.92568	0.4
53.03923	0.4
55.01849	2.5
55.05493	5.7
57.03405	1.9
57.07047	2.4
61.02914	3.3
67.05486	3.0
69.03403	7.5
69.06677	0.6
69.07041	15.2
71.04970	3.3
73.02871	0.9
75.55917	0.4
79.05466	4.1
81.03365	2.5
81.07024	15.2
83.04952	0.4
83.08596	9.0
85.02872	30.2
85.06501	2.8
91.03935	0.9
91.05437	2.3
93.07011	14.6
95.04920	1.1
95.08567	36.5
96.05283	0.4
97.02856	8.1
97.10125	6.0
99.04417	2.0
99.08059	15.5
105.06980	4.2
107.04908	0.5
107.08557	39.3
109.02828	3.4
109.06490	0.4
109.10122	9.9
111.04427	0.7
111.08041	5.8
113.09590	1.0
119.08501	2.3
121.02786	0.6
121.10097	64.1
123.08038	1.0
123.11636	2.4
125.09569	4.9
125.13226	0.7
127.03873	6.5
129.05423	0.6
135.10657	0.8
135.11636	13.9
137.02272	3.5
137.05859	0.5
137.13202	7.6
138.02620	2.7
139.02855	0.5
139.03903	0.6
139.11099	0.8
140.03000	0.5
145.04907	5.4
145.10095	0.5
147.04358	0.4
147.11659	0.5
149.13211	5.1
155.22964	0.4
161.02402	0.5
161.13174	0.5
163.03809	0.5
163.05983	2.7
177.16318	100.0
178.16693	0.5
195.02740	0.5
195.17390	17.3
195.19028	0.7
203.03316	1.7
205.03720	0.5
213.18416	35.2
225.05405	0.6
229.04588	0.5
235.26045	0.4
241.08537	0.9
253.08720	0.5
270.46841	0.4
285.07507	0.7
311.05179	2.2
312.05652	4.7
313.06036	3.4
314.06406	2.8
322.08026	0.5
323.05185	0.6
324.05859	2.7
325.06110	3.0
325.11066	1.0
326.06665	2.5
327.07608	0.8
328.07724	0.7
337.06555	0.9
338.07312	3.7
339.07684	1.9
340.08020	3.4
342.06677	1.9
343.07037	1.0
344.07318	2.3
350.07358	1.8
351.07822	1.0
352.08218	2.6
354.06140	0.8
354.09900	0.6
355.07068	1.6
356.07318	2.5
364.08032	1.0
366.06570	0.8
367.07111	0.9
368.07462	3.5
369.08609	0.7
375.23703	0.7
379.07193	0.7
380.07541	2.5
382.08829	1.8
392.07224	1.7
394.09027	1.6
396.07816	3.0
397.08121	1.8
398.08368	2.9
404.08246	0.5
407.07376	0.5
408.07678	1.0
409.08264	1.0
410.08340	4.1
416.09128	1.0
421.07889	0.5
422.08362	0.6
424.09744	0.5
426.08658	0.6
428.09244	2.3
434.08862	0.6
446.10196	2.3
450.08701	0.8
451.08920	0.6
452.09360	1.8
464.09439	0.8
470.10260	2.9
482.10529	1.1
488.11533	5.1
498.10767	0.9
500.11459	8.7
516.11664	0.7
518.12616	7.1
536.13617	4.3
554.14276	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.96535	0.2
57.03407	0.2
65.03915	0.2
67.05466	0.3
69.03065	0.1
69.03395	1.2
70.06555	0.2
70.62999	0.1
73.12035	0.1
79.05450	0.3
81.03368	0.2
83.04953	1.6
85.02869	0.9
89.03872	2.7
91.05392	0.2
93.03365	0.5
95.04916	0.2
97.02862	0.2
98.57712	0.1
98.97578	0.2
107.04895	1.3
111.04395	2.0
112.07571	0.3
116.98564	0.1
117.03324	4.5
123.04337	0.3
129.05426	0.6
135.04361	14.9
136.06145	1.6
137.02306	0.5
137.05869	0.3
139.03833	2.5
145.02795	13.8
148.03883	0.8
150.05486	0.1
163.03838	100.0
164.04158	1.2
165.05493	0.2
166.04953	1.4
178.21123	0.1
181.04851	0.6
184.05978	0.6
219.01514	0.2
229.27802	0.2
237.02765	0.3
268.10220	0.2
278.06201	0.1
333.83780	0.1
337.09412	0.2
344.41293	0.2
355.10086	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	554.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01843	5.8
55.05476	6.1
57.03404	5.3
59.04976	2.5
61.02897	2.8
66.63264	1.1
67.05206	1.1
67.05482	18.1
69.03395	10.6
69.07037	14.6
71.04942	8.8
79.05451	22.9
81.03387	2.6
81.07021	50.8
83.04955	14.6
83.08590	2.9
85.02868	13.8
85.06500	7.7
87.04401	1.5
91.05442	16.7
93.07003	69.9
95.04935	14.4
95.08568	45.8
97.02845	2.3
97.06483	16.3
99.04404	15.7
105.06994	48.3
107.04906	8.7
107.08553	46.5
109.06476	34.2
109.10110	14.1
111.08035	25.6
113.05932	2.3
117.06953	6.4
119.04882	1.2
119.08529	30.9
121.06455	55.9
121.10089	19.8
123.04359	2.1
123.07978	5.4
123.11657	10.8
125.05934	10.6
125.09574	5.8
127.07537	11.3
129.06934	5.7
131.08502	10.8
133.06381	2.6
133.10069	22.2
135.00523	1.3
135.04372	7.3
135.07997	18.8
135.11630	6.5
137.05930	10.0
137.09573	12.2
139.07506	9.2
139.11115	5.8
142.07750	2.0
143.06960	5.1
143.08527	13.7
145.10063	16.3
147.07965	6.8
147.11635	58.1
149.13173	6.4
151.11130	4.9
153.09055	2.9
153.12668	2.1
155.08521	1.6
156.09340	2.9
156.22565	1.5
157.10088	19.0
159.11617	2.2
161.05992	1.5
161.13191	16.0
163.11115	5.5
163.14700	1.5
165.12675	12.8
167.06851	1.6
171.11635	25.4
173.09537	9.0
173.13200	2.8
175.11105	37.7
175.14752	3.2
177.05417	2.1
181.10065	1.9
189.12669	31.6
189.16312	1.4
193.12163	19.8
199.11137	27.9
201.16322	1.6
207.13727	16.4
211.13301	2.7
217.12154	70.0
235.13188	82.4
252.39868	1.3
253.14229	100.0
271.15329	9.7
291.22977	2.3
303.23108	9.6
309.24039	2.5
321.13208	2.2
321.23990	17.3
333.58539	1.6
339.14111	8.0
339.25238	9.6
357.15314	16.3
374.42694	1.6
499.86682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26654	0.5
51.26908	0.4
55.05501	0.9
57.03406	0.9
57.07045	0.5
59.38565	0.5
61.02890	1.0
67.05476	2.9
69.03399	3.8
69.07039	1.2
71.04941	1.1
79.05463	2.8
81.03380	2.1
81.07023	7.6
83.04942	1.0
84.08901	0.5
85.02864	6.4
85.06532	0.7
91.05450	6.1
91.05919	0.6
93.07021	5.2
95.04900	1.1
95.08565	3.8
97.02866	1.3
97.06500	0.9
99.04436	0.7
100.69003	0.6
103.05415	1.3
105.07019	5.0
107.04945	3.7
107.08578	4.2
108.05721	1.0
109.02860	1.1
109.06480	2.8
109.10115	2.2
111.04370	0.9
111.08036	0.9
115.05408	1.1
117.06983	4.8
119.04888	0.9
119.08561	3.4
121.06468	4.5
121.10075	2.3
123.08039	2.2
123.11658	2.4
125.09559	0.5
128.06192	0.9
129.06946	4.1
131.04889	2.8
131.08492	0.9
133.06448	3.1
134.07320	0.6
135.04390	0.5
135.07941	4.0
135.11635	1.1
136.05150	2.2
136.91747	0.6
137.05937	6.8
137.09573	0.9
138.06425	0.6
143.04872	0.6
143.08531	1.0
145.06421	0.9
145.10069	1.1
146.07225	6.5
147.08029	0.8
147.11621	2.8
148.05161	0.6
149.05919	0.7
149.09576	2.2
150.06709	6.2
151.07503	42.6
157.06453	2.7
160.05118	2.0
161.04662	0.5
161.05887	4.5
161.09619	1.1
162.06686	3.4
163.07501	8.1
164.05585	0.6
165.05376	1.0
165.09050	25.2
174.06699	0.9
175.07457	8.3
177.09042	100.0
178.09389	1.1
189.09036	9.3
195.10028	1.2
201.09000	0.7
203.10611	1.1
207.07915	0.5
207.10068	1.2
209.09534	3.2
220.04762	0.5
221.11623	8.8
223.07491	1.0
223.11127	0.7
225.09048	1.1
226.09828	0.6
237.09050	2.2
238.09779	1.0
239.06950	1.1
239.10631	2.3
241.12093	5.8
253.08426	0.6
254.09221	0.7
255.10069	1.3
264.11285	0.6
267.10104	3.9
267.13748	3.4
268.10712	0.7
269.11572	3.9
270.12518	2.4
280.11038	0.9
281.11649	1.2
283.09494	0.8
284.10339	0.9
286.11865	1.1
295.13272	1.2
299.12558	2.9
301.14209	8.8
313.14105	0.6
321.23953	1.0
326.15344	0.6
327.15842	7.1
330.14465	0.7
339.25095	0.8
345.16855	31.9
357.16873	3.1
357.26193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67750	0.8
53.03913	1.6
55.01850	2.5
55.05273	1.0
55.05495	14.3
57.03416	13.1
57.07056	1.9
59.04977	17.7
60.51411	0.9
65.39118	0.9
67.05474	22.1
69.03405	17.7
69.07040	22.0
69.63731	0.9
71.04958	6.0
71.51949	0.9
76.18077	1.1
76.55999	1.3
79.05451	30.1
80.53229	0.9
81.03374	1.7
81.06548	1.9
81.07021	56.3
83.04948	5.0
83.08558	3.7
85.02877	7.3
85.06486	2.3
87.04429	8.1
91.05448	16.4
93.07005	91.8
95.04935	15.3
95.08562	51.1
97.02846	1.9
97.06496	12.8
97.10143	1.5
99.08029	1.1
105.06992	24.8
107.08554	38.7
109.06501	13.4
109.09406	1.4
109.10117	30.8
111.08057	8.5
115.07546	1.3
117.06951	4.3
119.08538	32.4
121.06457	6.6
121.10095	100.0
123.08024	9.3
123.11677	13.7
125.05930	4.8
125.09614	7.9
129.06946	1.9
131.07686	1.1
131.08517	10.9
133.10091	14.5
135.08000	6.3
135.11633	29.2
137.05945	1.8
137.09563	22.2
137.13182	4.7
139.07417	1.4
139.11115	22.5
142.07785	1.0
143.08505	6.2
143.10605	1.5
145.10085	18.1
147.08000	1.7
147.11620	8.5
149.09563	4.0
149.13242	2.1
151.11172	8.7
153.08978	1.0
153.12720	2.1
157.08647	3.5
157.10072	13.2
159.11624	10.3
161.09499	2.5
161.13156	5.1
163.11081	9.2
167.10628	6.0
169.10011	1.6
169.12202	1.5
171.11652	1.9
173.13153	7.8
175.11104	2.1
175.14735	1.8
177.12527	1.2
179.10603	2.4
181.12231	5.1
183.11658	2.1
184.98712	1.0
185.13202	1.5
187.14745	4.5
189.16327	2.3
197.13268	2.3
199.13126	2.3
199.14734	8.8
201.16412	1.2
209.13121	1.4
213.16338	3.8
215.17944	2.3
217.15773	3.5
225.16267	1.9
235.16922	1.5
253.19383	1.4
255.20750	1.1
265.19345	1.1
271.20340	1.4
273.21902	1.0
280.49252	1.0
283.20428	6.3
289.21463	8.2
291.22644	1.2
301.21527	23.0
303.04712	1.5
304.05191	2.4
307.22516	12.6
319.22552	31.4
325.23700	2.1
337.23618	35.2
355.24640	8.4
412.11472	1.1
477.34979	1.1
565.67218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81578	0.4
66.31264	0.4
67.05510	0.6
68.76226	0.4
78.77683	0.4
95.08566	0.8
100.25651	0.5
107.08622	0.5
119.08540	0.6
168.34476	0.5
185.58492	0.5
264.42148	0.4
420.15619	0.5
446.94687	0.5
467.34790	15.9
511.33774	100.0
512.34033	0.6
529.34601	1.0
552.36395	3.2
553.30768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.6
55.01855	8.4
55.05497	21.6
57.03412	9.6
57.07049	3.2
59.04970	4.3
61.02913	2.5
63.72271	1.4
67.05476	33.5
67.07637	1.6
69.03400	20.9
69.07042	30.9
70.07361	2.7
70.69913	1.7
71.04958	15.2
79.05452	27.6
81.03384	2.5
81.07025	100.0
82.07346	3.2
83.04952	12.0
83.08591	10.8
85.02869	34.4
85.06504	7.8
88.39804	1.8
91.05439	27.8
92.05774	2.2
93.07005	74.2
94.07352	9.7
95.04913	16.4
95.08570	47.8
96.08907	3.8
97.02844	8.5
97.06489	11.4
97.10130	3.9
99.08065	4.3
105.06994	52.2
106.07292	3.2
107.04927	2.2
107.08551	42.7
108.08896	7.6
109.02848	2.7
109.06503	14.3
109.10121	31.8
110.10474	3.7
111.08060	7.1
117.06958	3.5
119.08539	50.4
121.10093	95.7
122.10423	14.5
123.08017	13.9
123.11667	37.6
125.09605	14.9
125.18267	2.2
127.03860	7.3
129.07001	2.0
131.08524	12.1
133.10085	18.3
135.08008	6.8
135.11624	25.6
136.11955	3.3
137.05930	3.7
137.09557	30.6
137.13176	2.9
138.09953	3.2
139.11122	12.5
140.11385	2.2
141.09070	2.6
143.08568	7.1
145.10107	15.1
147.11644	73.5
149.09572	6.8
149.13202	2.8
151.11159	8.6
153.12685	3.9
157.10048	11.1
158.10471	3.4
159.11650	7.7
160.11879	2.1
161.09593	3.2
163.11121	8.8
165.12683	36.5
167.07016	13.7
167.43077	2.2
173.13208	4.2
175.11218	2.1
179.14218	2.0
181.12193	3.7
183.13748	8.1
185.13187	2.4
187.14732	3.3
193.12234	3.3
199.13219	2.3
211.13373	1.9
215.14203	3.9
229.14235	63.2
284.20718	3.2
301.21436	14.7
302.21765	3.9
303.05008	2.4
307.22540	3.4
319.22510	26.3
320.23019	13.7
337.23578	26.1
338.23846	16.3
355.24634	7.5
356.25055	2.3
499.45560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.2
53.03915	1.9
54.81224	1.1
55.01857	2.1
55.05492	13.8
57.03418	9.2
57.07053	6.6
59.04964	8.3
67.05482	21.9
69.03401	19.2
69.07043	23.4
69.50411	1.0
71.04963	13.4
73.01051	1.1
79.05464	23.4
81.03375	1.3
81.06550	2.1
81.07026	57.3
83.04939	10.3
83.08594	6.2
85.02870	15.3
85.06508	2.6
87.04445	1.5
91.05439	16.7
92.63394	1.1
93.07009	72.8
95.04935	16.1
95.08572	52.3
97.02858	5.4
97.06476	12.2
97.10109	1.6
99.04416	1.7
99.08064	2.0
105.06991	26.2
107.04927	2.8
107.08558	42.5
109.02792	1.3
109.06485	17.1
109.10116	34.1
111.04440	1.1
111.08050	7.8
111.11613	1.5
113.09620	1.3
117.06997	2.9
119.08539	35.9
119.09390	1.2
121.06482	5.0
121.10097	100.0
123.08017	12.3
123.11675	17.6
125.09583	15.9
127.03934	2.5
129.06973	2.9
130.07712	1.6
131.08505	13.7
133.10072	18.2
135.08011	6.5
135.11655	25.8
137.05954	1.3
137.09563	34.7
137.13208	2.0
139.11130	14.5
142.07710	2.4
143.08472	10.0
144.02969	1.2
145.10077	20.8
147.08046	2.1
147.11635	11.7
149.09572	7.0
149.13225	2.1
151.11145	7.8
153.12704	6.5
155.10625	2.3
157.10100	11.5
159.11618	13.8
161.09538	7.4
161.13193	2.1
163.11151	9.1
165.12701	2.5
167.10603	6.1
169.12215	1.5
171.11646	3.0
173.13190	8.9
175.11111	5.7
175.14806	2.1
177.12668	1.5
178.36279	1.2
179.10634	1.6
181.12097	9.6
183.11638	1.4
185.13248	4.4
187.14777	6.8
189.12726	1.5
195.11539	1.2
197.13208	1.4
199.13112	1.9
199.14777	7.2
203.14330	1.9
207.13878	1.3
209.13147	1.6
211.14758	2.3
213.16367	2.9
215.14194	1.9
217.15880	4.3
226.70522	1.3
229.14265	5.6
231.17303	1.5
233.15164	1.5
255.20963	2.5
283.20529	5.2
289.21494	2.9
291.23230	1.7
301.21524	22.4
303.04877	4.9
304.05191	6.5
307.22528	7.2
319.22614	35.9
337.23630	41.6
355.24698	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	552.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.6
53.03934	0.9
55.05492	1.5
56.96540	0.4
57.03410	1.6
57.07039	1.9
59.04977	0.6
67.05487	5.3
69.03402	4.3
69.07034	4.2
71.04948	0.6
73.02888	0.6
79.05462	8.5
79.98183	0.4
81.03385	1.9
81.07025	100.0
82.07375	0.6
83.04939	0.4
85.02874	6.9
87.00263	0.6
87.00798	18.9
87.04446	1.7
87.08804	0.4
91.05438	1.8
92.09388	0.5
93.07001	3.2
95.04945	1.5
95.07658	0.4
95.08569	16.4
97.02854	58.7
97.06500	0.6
98.03175	0.5
99.04398	0.5
105.01831	8.8
105.06995	1.6
107.08568	2.6
109.06489	0.9
109.10110	3.9
111.04434	0.4
111.08066	0.8
115.03902	2.4
119.08562	1.6
120.08840	0.5
121.10088	1.9
123.11674	0.9
127.03881	0.6
133.10110	0.9
135.08034	0.6
135.11609	0.7
137.09682	0.6
137.13202	10.8
137.71576	0.4
139.11137	0.8
145.10098	0.5
147.11644	0.9
149.09550	0.5
154.82062	0.4
161.13202	0.6
165.62990	0.4
167.07063	0.5
201.03888	16.5
215.14294	0.5
219.04886	7.1
219.06613	0.4
236.07588	0.7
251.32997	0.4
268.58105	0.5
301.21631	0.5
304.05209	0.6
319.22681	0.9
328.09232	0.5
329.09238	0.5
337.23663	1.6
345.08005	6.4
357.09143	0.5
363.09149	3.0
389.12137	1.5
390.12494	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	552.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.6
53.03934	0.9
55.05492	1.5
56.96540	0.4
57.03410	1.6
57.07039	1.9
59.04977	0.6
67.05487	5.3
69.03402	4.3
69.07034	4.2
71.04948	0.6
73.02888	0.6
79.05462	8.5
79.98183	0.4
81.03385	1.9
81.07025	100.0
82.07375	0.6
83.04939	0.4
85.02874	6.9
87.00263	0.6
87.00798	18.9
87.04446	1.7
87.08804	0.4
91.05438	1.8
92.09388	0.5
93.07001	3.2
95.04945	1.5
95.07658	0.4
95.08569	16.4
97.02854	58.7
97.06500	0.6
98.03175	0.5
99.04398	0.5
105.01831	8.8
105.06995	1.6
107.08568	2.6
109.06489	0.9
109.10110	3.9
111.04434	0.4
111.08066	0.8
115.03902	2.4
119.08562	1.6
120.08840	0.5
121.10088	1.9
123.11674	0.9
127.03881	0.6
133.10110	0.9
135.08034	0.6
135.11609	0.7
137.09682	0.6
137.13202	10.8
137.71576	0.4
139.11137	0.8
145.10098	0.5
147.11644	0.9
149.09550	0.5
154.82062	0.4
161.13202	0.6
165.62990	0.4
167.07063	0.5
201.03888	16.5
215.14294	0.5
219.04886	7.1
219.06613	0.4
236.07588	0.7
251.32997	0.4
268.58105	0.5
301.21631	0.5
304.05209	0.6
319.22681	0.9
328.09232	0.5
329.09238	0.5
337.23663	1.6
345.08005	6.4
357.09143	0.5
363.09149	3.0
389.12137	1.5
390.12494	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27190	0.3
56.96544	0.7
57.93744	0.2
58.46003	0.2
62.42551	0.3
71.62505	0.3
79.13612	0.3
83.04943	0.4
89.03874	2.1
91.05426	0.4
95.75691	0.3
107.04978	0.5
111.04430	0.3
115.05408	0.6
117.03342	1.3
117.06967	1.1
118.06496	23.7
130.06487	1.8
132.08038	7.0
135.04355	2.9
142.06506	2.2
143.00098	0.5
143.07275	2.0
144.08041	18.8
145.02840	1.4
146.05960	83.6
147.06287	0.4
155.13533	0.3
159.09109	8.6
160.07550	0.7
161.01118	0.4
163.03827	10.2
164.04204	1.2
170.05952	6.2
188.06996	100.0
189.07355	0.5
205.09651	28.3
228.13293	0.4
237.00499	0.6
255.01453	0.5
273.02713	0.7
278.41336	0.3
282.01761	0.3
369.11230	0.4
403.49335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32155	2.8
50.34082	2.7
50.49189	2.7
50.60377	2.9
51.50772	2.7
52.00802	3.3
55.05487	5.4
57.07046	3.5
59.14445	3.5
69.03406	4.8
69.07047	3.1
79.05446	5.8
81.03391	8.4
81.07015	5.0
83.04958	3.9
83.08615	3.7
85.02862	6.5
92.09370	4.3
95.08567	5.5
97.06498	4.3
105.07046	6.5
108.86382	3.7
109.10137	5.5
119.08514	6.3
122.86316	3.7
133.10031	6.0
153.01801	3.7
157.10020	5.5
163.03839	4.3
178.79800	3.7
191.03452	3.7
303.04880	40.8
400.66354	3.7
513.82928	4.8
551.26007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	4.3
56.97227	0.7
57.03406	1.1
57.07052	1.2
60.70975	0.7
67.05481	5.8
69.03391	4.0
69.07038	9.2
69.86137	0.8
71.04985	1.1
78.66125	0.7
79.05459	5.9
81.03383	1.5
81.06553	1.2
81.07025	22.5
82.06539	0.9
82.07344	0.9
82.60509	0.8
83.08598	4.8
85.02871	5.2
85.06506	1.7
86.09659	1.2
91.05453	5.7
93.07009	14.0
94.06518	4.1
95.04939	3.8
95.07323	1.7
95.08566	15.3
96.08091	5.1
97.02832	0.8
97.06493	5.1
97.10120	1.1
99.04413	1.2
105.07005	8.4
107.04955	1.2
107.08544	10.8
108.08095	6.5
109.06490	1.6
109.10116	8.6
110.09647	13.1
111.08044	1.6
118.30096	0.8
119.08513	7.0
120.04421	8.6
120.08072	6.5
121.06458	1.6
121.10081	9.7
122.05999	0.9
122.09591	1.2
123.04415	1.2
123.08038	1.7
123.11649	7.2
124.07535	1.5
129.06920	1.1
131.08501	1.4
133.10078	4.9
135.07956	1.2
135.11650	4.6
136.07516	6.0
137.05902	0.8
137.13202	1.9
138.09114	14.2
145.10080	4.8
146.05901	1.0
147.04362	1.2
147.11591	5.9
148.07556	1.5
149.09534	0.8
149.13177	4.7
150.05528	0.9
150.09029	1.2
151.11127	4.5
152.07036	1.7
161.05923	1.4
161.09549	0.9
161.13170	1.2
163.03833	1.4
163.14748	1.2
165.12708	1.0
166.08574	11.6
167.06984	12.8
169.09970	0.8
173.13199	1.9
177.09085	1.2
177.16272	0.9
181.12189	1.5
183.11688	0.9
184.07312	1.9
189.09041	3.5
189.12671	1.0
194.07971	1.3
195.13666	0.9
197.10660	1.4
201.12669	1.2
203.17957	1.2
205.89209	0.8
209.10703	1.2
212.09351	1.4
215.16772	0.8
223.08614	1.0
223.12221	1.4
225.10164	4.8
226.10965	1.0
233.10530	1.1
235.08723	1.2
235.12196	1.1
236.09274	1.8
237.10100	12.5
238.10928	3.0
239.07950	1.8
239.11662	6.0
248.09291	1.4
249.10115	10.3
250.10925	5.1
251.08087	6.2
251.11743	11.2
252.12456	1.8
253.09634	7.9
255.11134	1.7
261.10220	5.4
262.11069	1.3
263.11670	6.7
265.09613	16.0
266.10324	3.3
267.11209	8.6
269.09140	2.0
269.12650	0.9
271.10602	6.0
277.09521	4.7
278.10388	6.6
279.07565	7.7
279.11145	14.5
280.11951	3.8
281.09070	4.5
281.12723	3.3
282.09833	1.0
283.10675	12.0
285.12131	1.1
287.13794	1.3
289.09671	9.3
291.11115	1.5
293.09174	3.2
293.12778	8.5
294.09872	8.6
295.10696	6.5
296.11423	6.0
297.12192	1.4
299.10083	4.0
306.09784	1.9
307.10803	3.0
309.08768	1.1
309.12204	5.4
311.10120	11.9
311.13550	2.1
312.10962	5.1
313.11783	2.0
314.12482	1.0
319.26135	1.8
321.12085	1.0
323.13785	1.5
324.10886	1.5
325.11719	1.7
326.12604	8.4
327.13333	14.5
335.10098	12.5
337.27197	6.3
339.10052	2.7
339.13254	72.8
340.10468	3.6
343.15247	1.1
351.47302	0.9
352.10297	1.2
354.12039	5.2
355.12570	14.1
355.28253	2.0
360.17422	0.8
367.12726	36.2
373.29303	5.0
410.42960	0.8
479.20331	2.8
488.18164	11.0
492.21030	4.7
520.20587	100.0
521.20416	1.1
538.21313	1.0
552.23187	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	551.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	16.3
57.03448	3.3
61.02906	5.8
68.99752	3.2
69.03405	17.4
71.04887	2.8
79.05496	4.1
81.03394	5.6
85.02872	23.8
87.00803	12.2
90.09815	2.7
91.05441	6.0
92.61948	3.6
93.07040	5.0
97.02879	15.0
105.01855	14.6
105.07001	38.1
106.07341	5.4
107.04910	3.8
109.02832	6.7
109.06468	3.1
121.02837	4.9
121.10094	6.4
125.46301	4.1
127.03883	13.6
135.04381	16.3
137.02313	59.0
137.05937	3.3
139.11156	17.9
141.69571	3.1
145.04951	3.9
149.09525	4.3
161.02312	13.5
163.03914	6.1
173.18323	3.5
179.03299	4.2
189.01831	7.8
191.03346	5.7
191.14323	5.7
195.02873	19.9
199.03807	3.8
203.03307	30.2
205.04924	5.0
207.02817	18.9
209.15346	5.8
215.03334	17.8
217.04834	6.5
219.02721	4.7
221.04327	7.6
227.03304	5.3
227.16278	4.9
233.04318	5.1
241.04828	4.1
243.02841	5.9
245.04349	6.2
283.05911	4.9
295.05936	18.2
296.06400	5.9
310.04724	20.8
311.05353	100.0
312.06174	5.1
313.06915	11.3
322.08044	3.8
323.05447	64.3
323.08917	6.5
324.06085	21.7
325.06894	28.1
329.06360	3.7
333.07715	4.0
335.05374	3.9
336.06000	13.0
337.06949	71.2
338.07529	7.3
339.08640	15.0
341.06378	68.3
349.06995	43.8
350.07852	4.0
351.08420	26.9
353.06384	52.4
355.07925	4.1
361.06937	23.7
363.08359	5.6
365.06430	56.8
367.08011	21.2
375.08319	7.5
377.06332	33.0
379.07941	34.5
383.07486	15.0
389.06311	19.5
391.07996	18.3
395.07489	75.4
403.08008	13.4
407.07492	64.3
413.08395	38.8
419.07480	18.3
421.09006	14.0
425.08527	53.9
431.07721	13.5
433.09235	5.6
437.08450	5.9
443.09570	33.1
449.08514	23.1
461.09274	18.4
467.09357	26.9
479.09680	17.5
485.10553	63.7
497.10648	81.8
515.11597	86.3
533.12830	36.5
551.13483	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	551.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01843	0.4
56.96561	0.1
57.03423	0.7
61.02896	0.4
63.04063	0.2
63.16953	0.2
64.32690	0.2
66.59852	0.2
66.87898	0.2
67.05482	0.4
69.03409	2.7
69.07050	0.2
71.72268	0.2
73.02888	0.2
76.52778	0.2
76.55174	0.2
76.91860	0.2
79.05459	0.9
81.03381	1.2
81.07018	1.2
85.02878	4.3
85.44077	0.2
87.00805	0.2
87.04432	0.3
91.05442	0.4
92.33402	0.2
93.06998	0.7
95.08569	0.4
97.02892	1.9
99.04389	0.3
105.06987	0.4
107.04906	2.9
107.08549	0.4
109.02858	0.7
109.10132	0.3
119.08527	0.3
121.06554	0.2
121.10104	0.4
123.11723	0.2
127.03851	0.4
131.08490	0.4
133.06512	0.2
135.04344	0.3
137.05933	0.2
145.04980	0.2
147.04352	0.2
147.11713	0.2
149.02299	0.2
153.01767	0.2
165.01784	0.4
167.06996	0.4
169.04906	0.3
179.06955	1.1
181.01245	3.7
181.08562	1.1
182.02100	0.2
193.01259	0.3
194.09370	0.8
195.06451	0.2
197.04379	0.2
197.05983	0.2
198.06931	0.2
211.07571	0.2
214.98857	0.2
229.08615	0.2
239.06889	0.4
255.06493	0.7
256.07269	0.3
257.08047	0.4
267.06479	0.7
270.05338	0.3
273.03760	0.7
283.05960	1.5
284.06656	3.6
285.07526	1.2
287.05399	0.4
295.05719	0.3
297.07458	0.7
298.04620	0.9
298.08167	0.3
299.05450	2.3
299.09067	5.7
300.06522	0.3
300.09750	2.8
301.06924	0.6
302.07736	0.7
303.05060	1.4
303.07990	0.2
311.05365	0.9
312.06097	2.5
313.07001	2.0
314.04175	0.4
315.04886	3.2
316.05649	0.8
327.04849	2.5
327.08603	1.6
328.05728	0.8
328.09235	7.6
329.06494	2.1
330.03470	0.7
330.07202	1.4
331.07962	3.4
339.04953	0.3
340.05618	0.4
341.02661	0.3
341.06329	3.0
343.04285	2.6
343.07990	13.4
344.05075	2.5
344.08771	0.7
345.09576	7.8
355.08032	4.1
356.08755	1.6
357.05832	1.0
357.09601	1.5
358.06577	1.4
359.07477	12.0
360.08185	1.4
367.05893	0.2
373.09067	15.4
374.04883	0.3
374.09811	12.3
389.12170	100.0
390.12543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1384
Annotation	Kurilensin B
Peak:m/z	Relative Intensity
54.80864	3.3
55.01854	18.4
61.02884	4.5
65.17107	3.6
103.67837	3.2
121.02856	4.0
128.21362	3.3
135.04402	14.9
137.02290	74.9
159.04350	5.0
161.02322	21.1
181.62129	3.3
187.03905	4.4
189.01823	14.3
190.17126	3.3
191.03371	7.6
195.02785	6.9
199.03897	4.3
203.03337	31.0
205.04993	6.2
207.02931	16.2
207.56944	3.6
213.05453	5.9
215.03307	17.0
217.04927	8.7
219.02898	5.5
221.04485	13.4
229.04929	6.8
243.02934	6.7
273.04001	5.0
283.06012	4.5
296.06567	5.8
300.91547	3.9
309.07550	6.3
309.87897	3.9
310.04660	23.3
311.05414	97.5
312.06354	3.9
321.07507	6.9
323.05414	80.5
324.06082	22.8
325.06982	36.4
333.07706	5.5
335.05396	4.9
336.06342	15.6
337.06891	91.0
338.07928	14.1
339.08414	15.5
341.06497	57.7
345.07440	6.2
347.05347	4.2
349.06937	51.1
350.07767	13.9
351.08536	29.0
353.06433	52.1
355.08167	5.0
361.06897	25.5
363.08533	19.5
364.05722	4.3
365.06400	58.7
365.10437	5.1
367.08054	31.4
375.08414	6.3
377.06290	32.4
379.08044	40.5
383.07422	17.6
389.06451	31.8
391.07965	18.5
395.07513	78.3
403.08002	18.1
405.09583	7.8
407.07574	74.4
409.09030	4.5
413.08603	36.6
415.07736	5.2
419.07547	20.8
421.08881	20.2
425.08603	52.1
431.07852	17.9
437.08582	8.3
443.09628	35.7
449.08380	46.3
461.09354	22.4
467.09631	31.2
479.09842	25.5
485.10504	63.3
497.10605	100.0
515.11810	85.1
533.12592	51.9
551.13824	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.102
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03933	2.4
53.04147	0.3
55.01640	0.2
55.01859	2.2
57.03410	1.4
57.09903	0.2
61.02892	1.5
63.03812	0.2
63.77256	0.2
68.99767	1.9
69.03033	0.4
69.03403	9.0
70.39413	0.2
71.04959	1.2
73.02889	1.8
81.03384	9.6
83.01347	0.3
85.02876	9.8
86.33073	0.2
87.00800	7.8
91.03907	0.6
97.02849	3.8
99.04412	2.3
99.25060	0.3
105.01840	2.3
108.58340	0.2
109.02848	5.4
111.00751	1.3
117.01811	1.8
121.02853	1.8
127.03870	6.1
129.01814	0.5
137.02299	5.1
145.04895	2.0
147.84607	0.3
149.02251	0.4
153.01770	5.9
157.71716	0.3
159.02814	4.1
163.03854	1.4
165.01770	2.6
173.05879	1.0
183.02829	1.4
183.04407	0.4
191.03465	0.4
195.02776	0.4
201.05438	2.8
205.04840	0.3
209.73801	0.3
229.04871	6.1
231.04915	1.3
247.05966	0.6
257.04434	3.0
274.04575	1.2
285.03903	1.8
303.04880	100.0
304.05243	1.3
338.07013	0.4
430.30927	0.3
497.13632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	17.0
61.02898	5.8
63.52579	1.0
67.05468	1.5
68.99754	2.4
69.03396	5.2
69.07040	1.4
76.55328	1.0
79.05463	1.7
81.03381	2.8
81.07029	1.8
82.00656	1.1
83.04948	1.8
84.38253	1.0
85.02881	2.2
91.05441	4.5
93.06998	2.7
95.04902	2.0
95.08575	11.7
97.02832	2.8
99.08038	2.4
103.05455	1.6
105.06976	6.0
107.04933	9.6
107.08547	7.6
109.02843	2.7
109.06477	2.6
109.10139	1.8
111.04433	1.4
115.05412	1.6
117.03326	1.5
117.06995	1.6
119.04913	5.4
119.08553	2.8
121.02840	4.7
121.06466	5.6
121.10118	5.0
121.43570	1.1
121.66283	1.4
123.08021	5.7
131.08546	1.9
133.10074	2.5
135.04358	17.8
137.02304	61.8
137.03343	3.5
145.02740	1.9
145.06500	1.3
147.04375	6.5
147.11537	1.4
149.09547	13.4
149.13229	1.9
151.11168	2.0
159.04381	2.3
161.02238	15.0
161.06015	1.9
163.03874	6.7
163.14716	1.6
165.01797	1.5
171.04410	1.4
173.02194	1.5
173.05910	1.6
173.13165	3.0
175.03842	5.5
176.01172	1.1
177.01797	2.4
177.05428	2.8
179.03378	5.3
181.04964	1.4
183.04402	1.2
185.05927	2.1
187.03899	6.4
189.01758	11.3
189.05374	4.8
191.03328	9.9
191.14270	7.5
195.02826	15.8
199.03952	2.3
201.05391	2.9
203.03334	31.0
205.04926	7.7
207.02800	17.8
207.06450	2.9
207.13780	3.0
209.04295	1.3
209.15343	14.5
209.17027	2.0
211.03894	1.5
213.05405	1.8
215.03299	19.5
217.04855	7.2
219.02800	7.2
221.04338	10.1
227.03305	5.6
229.04945	5.5
231.02820	4.6
233.04320	10.7
239.06880	1.7
241.04938	6.1
243.02812	8.0
245.04402	6.2
249.03758	1.4
255.02881	2.2
255.06192	1.3
257.04340	2.6
261.03928	3.0
261.33920	1.3
267.06482	1.6
269.04257	2.4
271.05847	1.7
273.03845	2.8
274.58719	1.3
279.06387	1.9
283.05887	5.3
284.06720	6.3
293.07736	2.0
295.05814	8.5
296.06677	2.6
296.54816	1.3
297.07474	2.9
299.05322	7.4
300.05951	1.8
307.05869	5.3
308.06741	5.9
309.07446	6.3
310.04648	22.3
311.05386	93.6
312.06116	6.4
313.06805	9.4
321.07535	5.0
322.08221	2.5
323.05383	77.6
323.08820	4.8
324.06104	24.2
325.03256	2.3
325.06903	33.0
329.06686	1.7
333.07443	8.2
335.05368	6.9
335.08917	1.7
336.06229	13.8
337.06903	76.6
338.07657	9.0
339.04932	2.5
339.08524	12.5
341.06409	53.2
345.07376	7.0
349.06946	48.6
350.07614	11.1
351.04544	2.2
351.08432	26.6
352.05679	4.9
353.06445	51.0
353.10785	2.1
354.07016	1.4
355.07990	5.2
361.06891	28.3
363.08582	11.8
365.06393	62.2
367.08029	29.4
370.49152	1.3
371.07480	2.3
374.07608	1.4
375.08347	8.3
377.06393	37.9
377.10864	1.7
378.07004	2.9
379.08011	37.5
383.07037	9.4
387.08206	1.6
389.06332	21.2
391.08115	19.5
393.09509	4.8
395.07458	71.7
397.09146	1.9
401.08450	2.1
403.07925	16.5
405.09433	5.3
407.07413	62.2
409.09167	4.1
413.08453	36.0
415.07993	7.9
419.07385	19.6
421.08939	13.1
425.08475	48.2
431.07437	12.2
433.08966	11.4
437.08447	3.0
443.09613	32.2
449.08435	31.1
461.08951	20.9
467.09561	41.5
479.09567	26.6
485.10574	52.6
497.10583	100.0
515.11658	59.3
533.12714	21.4
551.13757	11.1
551.20337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.4
67.05495	4.4
69.07043	3.7
73.06516	2.8
79.05478	4.9
81.03417	2.3
81.07027	16.7
81.93963	2.4
83.08604	4.7
91.05474	2.8
93.07007	21.0
95.08573	25.6
105.06980	18.4
107.08569	29.9
109.10123	10.5
119.08535	51.6
121.10114	25.1
123.11620	4.5
131.08490	23.5
133.10072	32.1
135.11671	19.4
143.01584	2.7
143.08521	5.5
145.10085	69.4
147.11629	19.3
149.09688	2.6
149.13213	13.5
157.10127	15.0
159.11636	27.6
161.13228	21.5
163.14722	3.8
171.11630	13.9
173.13170	37.6
175.11179	2.8
175.14775	22.6
183.11644	3.2
185.13194	16.6
187.14751	100.0
189.16385	5.2
195.13867	2.6
197.13196	3.6
199.14784	17.4
201.16335	37.4
203.14186	4.2
209.13248	3.4
213.16348	5.7
227.17953	2.9
301.21841	2.6
303.04938	13.7
333.83197	2.9
391.30219	3.3
409.30893	16.3
410.52396	2.5
419.29462	3.4
423.32111	5.2
451.31921	15.5
455.31128	5.0
469.32901	54.4
473.32407	3.1
479.31635	3.2
497.32111	19.8
509.31848	10.3
515.33209	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	550.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63994	0.5
51.74553	0.5
53.03933	4.8
55.01865	8.6
57.03418	6.7
61.02911	6.4
63.56670	0.6
68.99763	3.2
69.03033	1.4
69.03407	37.6
71.04961	5.3
73.02885	6.9
79.05446	0.8
79.65891	0.7
81.03390	23.9
83.01336	1.0
84.08132	0.9
85.02880	100.0
87.00801	49.5
87.04449	1.2
91.03915	2.5
93.07015	1.2
97.02861	36.8
99.04424	12.0
101.02344	0.8
103.03904	1.4
105.01836	52.2
105.06995	6.1
109.02852	28.5
117.01830	1.6
120.08001	0.8
120.10773	0.6
127.03876	61.1
129.01785	3.3
135.07986	0.6
137.05971	1.5
138.06467	0.7
145.04932	16.1
147.02803	1.1
149.05963	0.9
153.05368	1.5
158.69730	0.7
159.02844	8.6
163.03873	2.5
164.04347	0.8
167.07066	0.6
171.02888	1.1
177.05408	0.8
180.08499	0.7
181.04901	1.2
189.03954	3.4
213.03923	2.5
213.09111	4.4
230.23506	0.7
231.04919	20.4
231.09953	0.7
249.05989	10.3
253.07123	0.9
271.08075	0.7
335.11102	3.1
353.12177	0.9
356.85989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05493	5.5
57.03415	26.4
59.04978	4.9
61.02898	2.0
65.03909	0.9
67.05479	11.3
68.20592	0.9
69.03403	65.4
69.07062	7.1
72.07137	0.9
73.02897	9.5
75.04446	2.2
79.05457	10.0
81.03389	2.3
81.07021	40.1
85.02876	50.0
87.04433	34.8
91.05437	13.6
93.07007	19.5
95.04910	1.7
95.08569	42.3
97.02850	57.6
97.06472	1.2
99.04429	1.8
105.06992	40.1
107.08558	28.6
107.09233	1.9
109.02831	1.6
109.10120	29.2
114.34564	1.2
115.03886	44.3
117.07009	1.3
119.08535	28.5
121.10088	18.6
123.11661	11.0
127.03879	4.4
131.08522	1.7
131.50340	1.1
133.04916	36.9
133.10092	22.6
135.11629	9.8
145.04892	5.2
145.10092	4.3
147.10472	1.9
147.11638	42.3
147.12779	1.8
149.13251	4.4
150.07520	1.1
151.11140	1.1
153.19424	1.0
159.11647	2.3
161.13197	15.2
163.05826	1.0
172.60300	0.9
175.14789	5.7
201.16325	1.7
203.17882	100.0
216.90269	1.1
221.18980	9.8
223.05931	1.1
241.06958	1.6
259.08124	4.0
277.09094	3.7
295.10162	4.6
335.22049	1.6
383.24182	1.3
441.98090	1.2
579.64612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24646	1.6
55.01857	2.2
55.05498	19.7
57.03418	9.1
57.07055	4.9
59.04986	2.5
60.08153	2.1
61.02895	3.1
62.35620	1.8
62.61697	1.8
67.05476	28.4
68.98091	2.8
69.03405	16.9
69.06677	3.1
69.07042	68.9
71.04967	10.3
73.02894	4.5
79.05455	26.6
81.03385	12.2
81.07026	100.0
83.04959	14.8
83.08583	14.5
85.02882	26.5
85.06538	14.1
86.09670	22.8
87.00778	2.3
91.05446	16.5
93.07010	41.8
95.04916	8.8
95.08569	53.0
97.02845	15.3
97.06483	17.9
97.10131	4.2
98.98415	2.2
99.04416	4.2
99.08056	11.8
104.10708	7.7
105.03382	2.0
105.07001	52.2
107.08554	55.6
109.02876	3.6
109.06445	19.3
109.10122	63.5
111.08042	8.2
111.11678	9.3
115.03899	2.9
117.06997	2.4
119.04925	7.8
119.08537	40.6
121.10104	37.8
123.04376	3.6
123.08021	13.1
123.11663	28.2
124.99983	12.9
125.09581	3.3
127.03905	4.4
127.07561	6.9
127.11150	14.2
129.06992	2.1
131.08537	4.1
133.10078	26.0
135.08134	2.3
135.11656	34.2
137.05951	2.3
137.09596	9.6
137.13202	4.6
139.11113	8.3
143.08411	2.1
145.10109	16.3
147.04428	3.8
147.11636	78.3
149.09578	9.8
149.13214	12.1
151.11174	20.1
153.12735	3.4
157.10068	4.3
159.11671	10.5
161.05913	2.0
161.13202	39.4
163.03929	2.6
163.11176	3.4
163.14716	3.8
165.12691	38.2
167.07002	8.5
171.11684	3.6
175.11081	4.6
175.14799	2.7
177.12819	4.3
179.14229	10.1
184.07271	42.9
187.14821	2.9
188.08311	4.0
189.12666	7.4
189.16316	2.8
191.03264	3.0
193.12155	22.5
201.08932	3.9
201.16353	2.2
203.17923	9.4
207.13724	16.4
221.18932	5.0
229.14302	13.6
236.65332	2.5
237.18443	10.6
239.19930	2.2
243.15903	13.2
255.19466	8.3
267.06314	2.8
285.09851	4.3
289.25061	3.0
299.23718	4.6
300.09549	2.3
303.04962	16.5
317.24661	17.9
335.12735	4.9
335.25684	65.6
353.13617	25.2
353.26727	76.1
371.27832	24.1
430.36081	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
58.16914	0.9
69.03387	1.0
81.95287	1.0
137.05937	25.0
167.07007	1.3
181.04883	3.8
196.11192	1.0
197.10643	6.8
198.07698	2.0
198.11459	2.2
199.08600	23.2
199.12350	1.2
201.10155	1.0
205.26360	1.0
211.08574	22.4
211.10339	0.9
211.12064	1.3
212.09279	8.5
213.10156	27.5
214.07277	7.4
214.10812	10.0
223.08659	1.1
225.06679	1.1
225.10115	34.3
226.07289	28.9
226.10760	13.0
227.08069	40.8
227.11530	11.8
228.08740	2.2
237.10172	1.7
238.11238	1.2
239.08025	4.5
239.11745	13.3
240.08791	5.5
240.12387	12.6
241.09625	35.5
241.13278	3.5
242.10393	24.1
251.08061	1.3
251.11703	2.3
253.09587	19.2
254.10425	7.1
255.11136	24.9
257.12735	40.3
257.15250	1.8
265.09576	1.4
267.11136	23.4
268.08408	5.9
268.12003	28.0
269.09097	5.1
269.12820	6.0
271.10724	1.1
280.11966	2.4
281.09094	6.3
282.09875	1.3
283.10770	3.7
284.11423	2.1
285.12277	7.4
286.09421	2.3
286.12900	1.8
295.10562	12.4
296.08301	2.0
296.11441	25.0
296.14548	1.6
297.12207	7.0
298.12988	1.6
299.10202	1.1
300.10934	1.5
313.08096	1.7
313.11710	51.8
314.12454	28.9
323.10065	1.6
341.11307	6.8
342.11957	87.5
356.13272	1.4
373.13998	6.7
374.14661	4.4
383.12122	1.1
387.14273	6.0
401.09680	4.9
417.12708	1.2
429.12799	2.2
443.14359	6.2
457.11832	7.8
471.13882	6.2
473.15665	2.0
489.14856	30.4
499.13272	1.4
517.14307	100.0
549.16943	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	549.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67245	0.6
51.95592	0.5
55.01850	0.9
66.65072	0.6
69.03423	0.8
71.04942	0.7
79.00670	0.7
85.02877	2.6
90.23541	0.7
92.09296	1.5
93.07018	0.8
94.06538	1.0
120.08014	1.0
124.79726	0.7
131.08499	0.9
137.05942	1.3
138.05429	1.1
146.05940	1.1
163.03815	0.9
166.04900	1.0
167.06950	1.1
177.05424	1.0
197.08893	0.9
197.10728	4.7
198.07692	1.6
198.11372	1.3
199.08577	12.8
201.10228	1.2
211.08612	14.3
211.12231	1.8
212.09268	7.2
213.10173	14.6
214.07338	1.1
214.10899	5.8
221.10728	1.0
222.09087	1.1
224.10985	0.9
225.06760	1.1
225.10120	32.9
226.07364	15.4
226.10896	15.3
227.08102	19.6
227.11621	12.7
229.09618	1.1
229.13220	0.9
237.10072	1.1
239.11688	14.0
240.08936	3.4
240.12517	8.0
241.09631	21.2
241.12169	0.8
241.13315	2.8
242.10397	17.6
242.14052	1.1
251.11859	1.3
252.08684	2.7
253.09616	17.0
254.10400	4.6
255.11186	22.9
257.12747	52.6
265.04822	0.8
265.09665	1.6
267.11151	25.3
268.08130	0.9
268.08749	1.2
268.11945	25.3
269.08954	1.4
269.12750	5.3
271.10696	1.2
273.12128	1.1
279.11053	1.2
280.11966	5.4
281.09103	4.0
283.10806	2.7
284.11465	3.0
285.12286	7.7
286.09351	1.3
286.13055	2.9
295.10672	16.2
296.11426	18.3
297.07462	0.9
297.12231	7.4
298.13083	1.8
299.10178	3.1
300.10873	1.2
313.11700	67.2
314.12460	30.7
315.12952	1.7
341.11359	4.5
342.12000	44.8
342.16183	1.6
373.13782	10.0
374.14496	2.8
399.06848	0.8
401.09177	2.2
411.11804	1.2
429.12979	3.5
443.14383	7.6
455.14209	1.2
457.12219	3.6
461.15530	1.1
471.13992	5.5
473.15378	4.8
489.14835	36.1
489.21567	1.2
499.13147	2.8
517.14331	42.8
549.16943	100.0
550.17255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35387	1.9
61.02874	3.2
63.99566	1.9
69.03405	64.9
79.05444	2.2
88.96841	2.2
97.02851	3.7
107.04875	3.8
111.04419	2.3
119.04898	17.3
121.02821	87.0
133.10043	4.2
135.04387	3.7
137.09732	2.6
145.02805	15.1
147.04390	5.7
148.46715	2.8
163.03815	3.5
175.03886	2.4
189.01759	11.5
191.03281	5.3
193.04907	2.4
195.02794	11.9
203.03346	24.9
205.04794	3.3
207.02876	17.9
215.03339	13.3
217.04887	3.9
219.02765	9.5
221.04329	11.9
227.03197	3.1
229.04832	10.9
231.02791	4.0
233.04349	5.4
241.04784	3.9
245.04190	3.5
257.04385	4.4
267.06378	3.8
268.07077	2.9
269.04437	2.8
279.06421	11.2
281.08041	5.2
283.05862	9.3
291.06400	3.7
293.07883	10.8
294.05099	42.7
295.05893	84.3
296.06735	12.4
297.07498	15.1
305.08008	5.5
307.05939	77.0
307.09106	4.1
308.06644	31.4
309.07498	34.6
313.06946	4.9
317.07953	4.8
319.05890	10.1
320.06616	13.3
321.07474	72.2
322.08054	17.7
323.05338	3.2
323.08987	11.2
325.06921	58.0
329.08044	3.1
331.09402	4.4
333.07477	34.1
334.08209	9.3
335.08942	32.6
336.06238	4.0
337.06937	77.2
339.08258	8.3
343.09454	5.5
345.07263	12.1
347.09079	22.0
349.06918	58.1
349.10803	5.6
350.07666	2.8
351.08566	34.2
359.09171	20.1
361.06854	24.4
363.08514	33.5
367.07782	18.2
372.09921	2.5
373.06787	11.0
373.11008	3.2
375.08545	37.4
377.10022	15.0
379.07983	64.5
381.09521	4.0
387.08514	33.2
389.10312	3.4
391.07990	36.6
393.09555	22.8
397.09268	4.3
403.08011	14.4
405.09644	52.7
409.08994	40.6
411.10504	13.9
415.08035	10.4
417.09573	5.6
423.10684	25.2
427.09961	20.0
429.09564	10.0
433.08893	21.9
435.10431	4.9
441.11105	14.4
445.11020	13.9
447.10873	17.6
451.10080	28.1
459.10626	22.8
465.11542	15.0
469.11160	50.7
477.11716	25.5
483.12994	17.4
495.12668	95.5
513.13776	100.0
531.14880	34.3
549.15698	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	549.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11089	0.7
54.87692	0.9
55.01849	1.3
55.05504	1.0
62.33804	0.8
64.92321	0.9
69.03392	1.8
85.02872	3.8
88.21148	1.0
94.06545	1.5
111.25747	0.9
120.08094	1.4
137.05936	4.1
146.05984	1.7
163.03824	1.2
167.07031	1.0
168.87730	0.9
174.05580	1.1
188.10934	0.9
197.10762	4.6
198.07759	1.5
198.11377	1.1
199.08592	16.2
201.06439	1.0
201.10272	1.4
211.08600	15.0
211.12247	3.8
212.09344	6.8
213.10164	16.6
214.07339	1.3
214.11015	5.8
222.09119	1.4
224.10880	1.1
225.10129	31.8
226.07300	15.5
226.10838	13.8
227.08102	19.0
227.11621	10.1
232.87506	1.2
233.71667	1.3
237.10081	1.2
239.08179	2.3
239.11696	16.6
240.08870	4.5
240.12459	10.1
241.09601	26.4
241.13310	6.2
242.10361	15.7
243.11203	1.3
249.02043	1.0
249.10231	1.2
251.11780	3.6
252.08958	4.2
253.09612	19.6
254.10323	7.6
255.11189	25.3
257.12735	57.3
265.09650	1.9
267.08051	1.4
267.11130	25.1
268.09204	1.8
268.11969	21.2
269.09079	1.2
269.12814	5.7
270.09875	1.1
271.10822	1.1
279.11353	1.7
280.12000	5.2
281.09195	5.1
283.10703	1.2
284.11517	4.6
285.12186	10.2
286.09390	1.7
286.12958	1.6
295.10614	14.9
296.11465	18.1
297.12286	7.5
298.13123	1.3
299.10196	1.6
313.08041	2.4
313.11722	70.9
314.12473	29.7
315.13199	2.3
323.10141	1.4
324.11066	1.6
340.83954	1.1
341.11285	5.3
342.11960	50.2
343.12799	1.3
355.12897	1.3
373.13879	10.1
374.14627	3.5
395.82611	1.1
401.09302	1.9
417.12912	1.3
429.12717	1.9
443.14514	7.5
457.12442	2.1
471.13977	5.7
473.15060	4.8
489.14908	33.4
499.13443	1.5
517.14337	45.8
531.15997	1.1
549.16956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01410	2.9
55.01855	9.6
57.03401	2.6
58.48920	1.7
61.02884	2.7
69.03406	69.9
79.05466	2.4
81.07036	2.7
82.03301	2.7
83.04958	2.3
91.05427	3.0
92.08701	4.0
97.02807	2.2
107.04928	3.2
111.04446	3.2
117.06969	2.1
119.04883	13.6
121.02824	76.1
121.03879	2.8
124.04962	2.0
133.10086	5.0
135.04382	3.5
137.05881	3.9
137.09581	3.1
145.02808	12.7
147.04332	8.7
163.03870	3.1
176.00972	2.7
177.01886	3.2
179.03407	3.5
181.04883	2.4
189.01805	14.9
191.03369	8.5
195.02824	10.4
199.03816	2.6
201.05356	2.2
203.03317	29.9
205.04926	4.5
207.02788	15.7
215.03375	10.7
217.04883	10.0
219.02774	9.0
221.04340	10.7
229.04890	8.2
229.60774	2.3
233.04375	9.3
239.06845	3.3
241.04814	8.7
243.02722	2.5
245.04416	4.0
249.99054	2.1
257.04303	4.3
261.03601	3.5
267.06393	3.4
268.07108	2.5
269.04315	5.3
271.06012	4.4
279.06421	4.1
281.07919	5.3
283.05957	3.2
284.06543	3.5
292.07419	2.5
293.08032	8.6
294.05133	35.7
295.05908	83.8
295.09381	3.2
296.06863	7.6
297.07474	11.4
305.08054	4.9
307.05905	81.3
307.09241	4.7
308.06686	29.3
309.07370	30.5
313.06888	8.7
317.08191	2.8
319.05862	12.2
320.06821	15.4
320.10144	2.9
321.07443	81.2
322.08188	17.6
323.05505	2.7
323.09000	12.0
325.06921	65.0
329.07889	4.6
331.09750	3.5
333.07404	33.4
334.08173	11.2
335.05478	3.1
335.09024	28.7
336.06244	9.3
337.06955	65.9
339.08435	8.9
343.09525	4.6
345.07507	12.2
347.09030	22.8
349.06903	59.2
349.10880	3.7
350.07602	3.3
351.08490	38.4
355.07996	9.6
359.08957	14.8
361.06830	28.0
363.08566	39.7
367.07776	15.9
373.06741	9.5
375.08511	40.5
376.09479	2.4
377.10046	11.7
379.07959	67.9
385.10342	2.9
387.08536	34.8
389.10040	4.9
391.08008	47.4
393.09607	19.4
397.09308	5.2
401.10263	6.4
403.07852	11.7
405.09491	43.6
409.09061	37.9
411.10565	9.4
413.10275	3.5
415.07675	3.8
417.09717	2.9
423.10559	20.6
427.10068	26.6
429.09814	12.7
431.11237	11.5
433.09399	22.4
435.10651	3.3
441.11472	16.5
445.11026	17.2
447.10403	14.4
451.10052	23.2
459.10648	27.4
465.11630	12.6
469.11200	43.0
477.11517	27.8
483.12506	22.3
495.12622	93.6
513.13702	100.0
531.14716	28.9
549.15729	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	548.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80740	3.8
55.05494	9.6
55.39066	3.5
63.58651	3.5
67.05480	9.8
69.03392	5.0
69.07040	7.4
79.05444	5.8
81.07010	27.5
82.65540	3.6
83.04961	3.6
83.08577	5.7
91.05442	16.1
93.06994	41.0
95.08568	35.2
99.08054	4.2
105.06985	30.5
107.08543	53.3
109.06444	6.8
109.10118	22.7
111.08035	8.3
116.33437	3.7
119.08529	100.0
121.10074	29.1
123.11676	3.7
131.08521	28.1
133.10081	54.9
135.08026	18.4
135.11644	21.0
143.08514	4.9
145.10081	69.1
147.11604	22.8
149.09538	6.5
149.13219	15.1
157.10017	19.3
159.11642	48.2
161.09543	7.3
161.13203	22.0
163.11116	6.9
166.87122	5.2
169.08592	6.1
169.09946	5.9
171.11653	21.4
173.13174	53.1
175.14774	6.8
177.12674	7.0
177.16292	6.2
183.11601	19.2
185.13200	42.7
187.14735	77.8
189.12610	4.5
189.16411	9.0
199.14749	24.0
201.16342	26.5
203.14207	5.2
205.15683	5.0
211.14742	5.5
213.16264	9.2
225.16335	4.7
233.15361	5.7
263.30057	4.0
365.28381	4.6
407.29147	16.1
409.30939	4.4
447.75204	4.5
453.33978	5.0
467.31421	99.8
469.32986	26.2
495.30466	32.4
513.31647	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	549.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.4
52.52449	0.3
53.03928	3.5
55.01848	4.2
55.05485	0.7
57.03422	3.2
61.02885	1.8
67.01823	2.3
67.05476	0.9
67.98799	0.4
68.99753	2.7
69.03401	10.7
69.07036	1.8
71.04958	1.9
73.02874	3.5
79.05442	2.2
81.03385	16.4
81.07013	1.8
83.04932	0.5
85.02871	23.0
87.00792	12.2
91.03902	0.8
91.05428	1.8
93.06995	2.1
95.04919	2.0
95.08560	0.6
97.02849	8.7
97.06470	2.4
99.04427	4.6
103.05449	0.7
105.01823	3.6
105.06973	2.1
107.08551	0.8
108.60089	0.5
109.02166	0.6
109.02840	8.6
109.06478	1.0
109.10090	0.9
111.04389	2.0
116.98419	0.5
117.01785	2.8
118.04092	0.7
119.08500	0.6
121.02809	0.5
121.06461	3.2
123.04403	2.0
123.11617	0.6
126.34561	0.4
127.03858	8.5
129.01810	0.9
131.08478	0.5
133.06436	21.9
135.04353	1.9
135.07988	0.9
137.02287	0.5
137.05901	4.3
140.12039	0.5
145.04921	2.9
147.07985	0.5
147.11588	0.6
151.11116	0.6
153.05379	0.5
159.02872	5.3
161.05916	64.0
162.06374	0.4
163.03802	1.8
165.05339	0.8
167.03328	100.0
179.03328	2.7
185.04373	5.4
191.03326	8.5
193.04852	0.6
193.12109	0.5
197.04372	1.0
203.06956	0.9
205.04880	2.8
209.04384	8.8
219.06471	1.7
219.10025	0.7
229.04852	0.9
233.04356	3.4
247.05936	0.9
259.09631	0.7
275.05389	4.7
301.10580	97.3
351.25171	0.7
367.11676	0.9
391.11752	0.6
409.12637	1.8
465.53708	0.5
477.33707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60863	1.1
54.80223	1.0
55.01200	1.5
55.01433	3.9
55.01845	11.7
59.21230	1.0
61.02903	6.8
66.58411	1.0
68.99773	1.3
69.03407	38.8
79.05453	1.0
81.03378	1.8
83.01308	1.9
87.04457	1.1
91.05441	1.5
99.36167	1.0
105.03342	1.4
106.34801	1.1
106.54272	1.1
107.04920	5.3
109.02858	1.4
111.04436	2.6
115.05553	1.1
119.04893	16.4
121.02824	79.4
121.06440	1.4
131.04929	1.3
133.06384	1.1
135.04353	2.8
135.68721	1.3
137.05899	1.3
143.04826	1.2
145.02782	11.4
149.05965	2.2
153.08931	1.2
155.04890	1.4
159.04366	4.8
161.05905	1.7
163.03854	5.5
171.04309	1.2
173.05870	1.4
175.03854	2.2
177.01820	4.8
177.05360	1.5
179.03355	6.0
187.03835	5.0
189.01749	13.4
189.05412	1.3
190.02472	1.2
191.03357	9.4
195.02861	13.5
195.93735	1.1
199.03867	2.3
201.05405	2.5
202.02544	1.5
203.03340	24.5
205.04977	5.7
207.02805	16.7
207.06396	1.3
209.04477	1.6
211.03822	2.2
213.05348	1.5
215.03363	8.6
217.01366	1.5
217.04895	12.9
219.02827	11.0
221.04393	11.6
225.03877	1.8
227.03322	4.6
227.06947	1.4
229.04839	4.9
231.02843	1.5
231.06418	1.7
233.04381	8.1
235.05791	1.5
241.04910	1.3
243.02878	4.8
245.04320	5.8
255.06299	1.3
257.04367	2.7
261.03839	1.8
263.07047	1.5
267.06351	4.9
268.07187	9.9
269.04517	1.4
269.07928	1.8
271.05920	1.5
273.03857	6.2
279.06406	7.5
280.07181	2.4
281.07977	9.4
283.05930	10.4
284.06729	2.6
291.06604	2.2
292.07077	5.4
293.08047	8.2
294.05124	30.0
294.08301	2.1
295.05896	80.9
295.09042	3.2
296.06696	12.5
297.07388	16.7
305.07999	7.7
306.08701	7.8
307.05930	70.4
307.09555	4.6
308.03186	1.3
308.06647	32.9
309.07416	29.7
313.06940	6.4
317.07990	6.8
319.05981	9.5
320.06741	16.4
321.07437	74.8
322.08136	13.6
323.05566	3.1
323.09006	12.2
325.06921	100.0
329.07883	6.7
331.05945	1.7
331.09552	5.2
333.07422	32.7
334.08340	11.3
335.05328	3.0
335.08929	34.5
336.06073	5.9
337.06943	62.8
337.11078	2.3
338.07452	2.2
339.08560	12.0
345.07346	20.8
347.08884	14.3
348.06400	1.6
349.02603	2.2
349.06918	60.3
349.10248	2.2
350.07855	1.9
351.08511	46.9
355.08060	9.0
359.09039	4.8
361.06952	30.4
362.07761	1.9
363.08456	46.2
365.10193	2.4
367.08066	12.5
373.06894	22.9
375.08459	25.7
377.10199	2.7
379.07968	64.2
379.12534	2.5
380.07852	1.4
385.10455	1.3
387.08493	6.5
389.10257	2.8
391.07928	79.6
393.09521	24.9
401.10269	3.4
403.07364	8.8
405.09604	14.6
409.09039	78.2
411.10611	28.1
413.10147	7.9
415.08026	5.3
417.09613	2.4
419.11182	6.7
421.09076	2.8
423.10660	2.1
427.10086	55.3
429.11261	2.7
431.11005	8.0
432.52597	1.3
433.08963	7.5
439.32874	1.4
441.11618	10.0
445.11154	1.7
447.10654	19.5
459.11014	20.8
465.11652	33.1
477.11502	16.9
483.12683	46.3
495.12659	77.6
513.13757	64.2
513.21368	2.1
531.14703	24.5
549.15790	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	548.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.6
61.02908	0.8
65.53137	0.6
69.03400	21.1
73.02882	3.1
73.06513	1.4
83.05009	1.0
85.02856	6.1
86.76214	0.7
87.04434	36.3
89.05992	100.0
91.05428	1.3
97.02831	1.6
98.97561	1.0
107.07030	1.7
111.04376	0.8
113.05962	89.3
128.14278	0.9
131.06987	4.0
133.08548	33.2
139.03883	0.8
145.02751	1.5
147.04388	1.4
163.03812	1.1
175.09567	1.3
175.97388	0.7
177.05521	1.5
177.11133	21.1
183.97232	0.8
185.01282	0.9
221.13898	1.1
263.14932	1.3
265.16339	3.8
283.17526	4.7
295.05869	1.3
351.19995	48.4
352.19962	0.8
369.21121	6.8
399.66043	0.8
463.67395	0.9
548.29205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	4.8
55.01847	5.5
55.05491	30.1
56.96546	6.4
57.03417	6.6
57.07048	6.5
64.19630	3.6
65.06692	3.6
67.05479	33.1
68.63049	3.3
69.03390	25.3
69.07038	24.7
71.04971	59.6
72.61371	4.2
73.02874	8.1
73.06516	6.6
74.66597	3.2
75.99717	3.2
79.05459	37.3
81.03386	18.7
81.07032	79.1
83.04953	28.3
83.08591	8.6
84.75152	3.7
85.02869	54.8
85.06535	5.5
87.04444	18.1
91.05433	26.3
92.09315	7.9
93.07003	82.7
95.04942	6.1
95.08563	83.7
97.02846	20.7
97.06486	21.5
97.10137	5.1
99.08058	5.2
105.06992	83.9
107.04916	25.0
107.08564	66.2
109.06535	4.6
109.10090	33.1
111.08011	5.4
115.03901	49.2
117.07000	7.5
119.08533	30.6
121.10112	68.7
123.04382	5.4
123.11628	20.1
125.09596	28.4
127.03874	25.2
131.08508	25.0
133.04910	6.8
133.10091	100.0
135.08012	5.3
135.11658	6.8
137.09590	4.2
143.10628	50.9
145.04877	7.2
145.10110	44.6
147.11656	34.4
149.09595	4.2
149.13208	50.1
151.11087	6.8
157.10110	7.2
159.11627	36.8
161.05954	6.1
161.09572	4.1
161.13190	9.3
163.03827	15.0
165.12680	6.2
167.14261	85.1
175.14799	5.3
191.03413	9.0
191.06970	4.6
201.16269	29.4
203.06967	5.8
215.06932	4.7
219.17389	63.6
235.99826	20.3
237.00601	9.0
237.18370	9.2
254.00862	31.1
255.01663	4.9
272.01926	18.9
277.08994	6.4
311.16187	6.4
315.92099	4.9
351.25110	7.4
410.05008	8.8
549.22742	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	547.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49740	2.7
55.05484	23.3
55.49127	4.0
67.05472	17.7
67.05790	3.9
69.07037	22.9
73.06528	6.9
79.05453	22.8
81.07030	36.6
83.04943	4.1
83.08596	17.0
88.85072	3.8
90.05814	3.9
91.05445	21.5
93.07008	40.9
95.08593	37.8
97.06473	5.1
99.08046	5.4
105.06999	45.8
107.07901	5.1
107.08563	71.1
109.06424	4.7
109.10123	27.7
112.81848	3.7
117.06966	15.4
119.08537	81.9
121.09258	5.3
121.10098	47.5
123.11661	7.3
125.05946	3.5
129.06926	6.0
131.08514	43.7
133.10101	55.8
135.08025	6.2
135.11646	23.5
137.09555	4.9
137.13229	5.0
141.09160	3.6
143.08482	21.0
145.10092	100.0
146.10391	5.7
147.08083	4.3
147.11618	23.5
149.09564	13.4
149.13261	5.2
153.09056	5.5
155.08527	7.8
156.09317	5.5
157.10110	40.7
159.11629	71.2
161.09554	16.6
161.13231	24.9
163.14766	24.1
169.10048	15.7
171.11705	30.8
173.13173	48.2
174.13600	4.0
175.11139	5.6
175.14769	6.2
177.12643	5.2
178.09459	4.2
181.10130	7.0
183.11661	29.9
185.13202	41.7
187.11070	4.8
187.14761	67.6
188.15092	6.2
189.12645	4.7
189.16290	5.1
191.14272	4.1
195.11667	7.1
197.13203	17.8
199.14764	16.3
201.12683	14.2
201.16159	12.8
205.12112	6.1
205.15742	5.4
209.13271	21.0
211.14656	7.5
219.13730	6.3
225.16374	7.0
227.14374	5.0
233.15381	6.4
235.14667	5.5
237.16296	7.8
245.15385	4.5
251.17839	6.7
253.16003	4.0
253.19444	4.1
264.47052	3.9
325.21573	6.6
395.29254	19.2
409.30606	13.9
413.30344	5.6
419.29257	5.8
437.30313	15.8
451.31726	35.3
455.31033	6.1
465.29745	13.3
469.32947	21.8
473.32364	5.4
479.31238	7.6
483.31058	6.5
484.31265	14.9
497.32657	49.5
511.30170	5.0
512.30640	7.2
515.33521	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	548.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01850	0.4
55.05482	1.9
56.96535	0.3
60.09069	0.3
65.03907	1.8
67.05220	0.3
67.05485	5.0
69.03037	0.4
69.03400	11.6
83.04948	17.1
85.02861	6.0
87.00781	1.4
89.03876	3.0
93.03375	7.1
95.01292	1.5
95.04929	19.4
97.02838	1.5
98.97549	1.5
101.05968	0.7
107.04895	1.7
111.04404	33.0
115.03860	0.5
116.98588	0.4
117.03326	5.0
121.02816	4.5
121.06458	1.7
123.04375	0.6
129.05432	22.1
131.04886	0.4
135.04367	16.9
139.03851	19.0
144.72617	0.4
145.01717	0.6
145.02794	12.7
147.04393	3.1
147.06473	10.8
149.02286	0.9
157.04901	13.9
160.11327	0.4
161.05942	0.6
163.03836	100.0
164.04164	1.5
173.98849	0.4
175.03894	0.4
175.04303	0.5
175.05960	11.7
177.01871	0.4
177.03934	0.4
177.05385	0.6
179.35342	0.4
181.04932	0.9
187.03824	2.1
187.05403	0.4
187.10684	0.4
189.05435	1.6
191.03329	1.4
193.07019	14.5
193.08661	0.7
203.03334	18.5
205.04898	1.5
213.05423	0.6
215.03278	5.1
217.04984	0.4
229.04845	0.7
231.02837	1.6
233.04416	1.9
237.02666	0.7
242.69518	0.4
257.04147	0.5
261.03793	2.0
279.04892	2.1
291.04739	1.6
321.05994	1.5
339.06982	6.4
355.09988	2.5
513.12201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	9.8
57.03416	1.9
57.07048	4.6
59.04952	2.0
61.49161	1.6
64.32789	1.9
67.05490	16.3
69.07034	20.0
70.22675	1.7
75.89486	1.6
79.05464	15.0
81.07024	34.9
83.08586	10.4
88.47263	1.8
91.05427	18.8
93.07012	44.7
95.04946	2.6
95.08570	49.9
97.06497	10.6
99.08059	33.7
105.06993	51.1
107.08566	69.6
109.06493	3.5
109.10120	33.1
113.05981	2.1
113.77691	1.8
117.06958	16.0
119.08540	82.9
121.06461	2.9
121.10101	81.7
123.08022	3.4
123.11667	13.9
129.06973	8.7
130.03955	2.0
131.08521	51.6
133.10080	61.2
135.08020	9.2
135.11620	23.7
137.13229	2.5
142.07715	3.3
143.08566	20.4
144.09328	4.7
145.10075	86.8
147.08058	3.3
147.11650	39.1
149.09621	7.4
149.13210	10.2
152.03896	1.9
155.08549	2.7
156.09322	2.8
157.10071	39.0
158.10867	4.6
159.07915	2.4
159.11636	65.4
161.09496	2.7
161.13193	27.8
163.11127	18.8
163.14793	15.7
163.16011	2.4
164.44757	1.9
169.10066	4.3
170.10852	9.2
171.11618	22.9
172.12440	4.1
173.09570	2.5
173.13206	30.8
175.11110	2.1
175.14754	33.8
177.12714	3.8
177.16318	35.8
183.11647	8.1
185.13214	24.4
187.14748	58.7
189.16351	28.7
191.17865	2.6
197.13176	7.0
199.14754	44.1
201.12534	2.1
201.16302	26.2
203.14305	4.5
203.17883	2.8
205.15804	100.0
207.17455	3.5
209.13300	2.6
211.14842	2.1
213.16406	14.9
215.17874	3.5
217.12126	2.8
217.15779	13.6
219.17409	11.0
223.16765	13.5
227.17877	2.6
233.15196	3.1
245.15265	16.1
263.16226	7.0
371.25610	2.5
387.30157	2.2
405.31467	18.1
423.32446	31.5
425.34088	3.3
433.30695	4.4
441.33231	7.7
451.31989	27.7
469.32910	55.5
487.33817	10.9
511.33640	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	547.3619
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
53.03928	1.6
55.05489	20.7
56.19527	1.7
57.07058	3.0
67.05476	19.5
69.03393	3.0
69.07056	21.4
73.06530	2.5
75.04433	1.7
79.05455	17.5
81.03387	2.4
81.07026	33.3
83.08590	19.8
84.63727	1.8
91.05450	15.3
93.07009	38.4
94.07331	2.4
95.04911	1.8
95.08564	54.9
97.10135	4.0
99.08057	10.6
105.06999	48.3
107.08557	80.7
109.06470	9.1
109.10114	36.9
117.06972	8.0
119.08534	100.0
121.06441	2.6
121.10101	65.4
121.10963	2.6
123.08008	9.4
123.11653	15.9
125.68947	1.7
129.06960	7.2
131.08507	42.0
133.10078	85.1
135.07979	3.3
135.11670	26.4
137.09509	4.0
137.13200	22.5
142.07745	2.1
143.08530	29.0
145.10071	56.2
147.07976	4.3
147.11642	48.2
149.09595	9.6
149.13181	22.4
151.14796	3.7
153.09065	3.6
155.08466	7.1
156.09270	2.8
157.10062	29.9
158.10815	2.5
159.11642	34.5
161.09583	4.4
161.13181	41.2
163.07477	8.3
163.14772	13.8
167.10646	12.4
169.10039	9.8
170.10841	3.4
171.11584	14.6
173.13196	34.4
175.11177	2.5
175.14769	45.2
177.09090	2.7
177.16376	11.9
179.10582	3.3
181.12114	3.6
183.11623	15.8
185.13191	61.5
187.14738	55.3
189.16327	11.6
191.14244	4.4
193.12160	2.8
195.11525	2.1
197.13210	12.0
199.14749	43.3
201.12683	2.5
201.16319	33.5
203.14241	31.1
203.17844	2.9
205.15840	7.0
209.13162	4.2
209.15169	2.4
211.14723	9.8
211.16760	2.5
213.16313	16.7
215.17889	2.2
217.15910	3.2
219.13762	4.2
221.15326	2.6
223.14799	6.1
223.16852	10.5
225.16299	8.9
227.17906	9.3
233.15303	9.8
235.16856	2.7
237.18402	3.6
239.17908	3.5
245.15302	10.2
247.16806	4.4
249.14662	19.2
253.19353	4.3
259.16830	4.0
265.19382	2.4
273.18384	2.1
277.19281	2.4
279.20935	2.2
297.22098	2.2
299.19727	2.5
317.23004	2.4
349.28839	2.1
353.24722	3.1
373.28824	3.4
385.23514	2.3
391.29855	28.7
393.31808	2.1
395.29156	3.4
401.37100	1.8
409.30936	14.4
419.29272	6.9
423.32416	52.6
437.30417	20.0
441.33563	19.6
451.31918	17.3
455.31366	10.2
469.32874	45.8
487.33978	91.3
547.38434	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48957	2.1
50.68364	2.1
51.80640	2.1
54.05696	2.2
55.01856	10.4
60.72867	2.3
61.02913	2.2
69.07040	23.4
70.07370	2.4
75.53757	2.5
77.11661	2.5
79.96018	2.4
84.08124	5.5
85.02888	3.7
87.04410	2.6
89.04089	2.6
89.06006	14.7
91.05449	4.5
91.82090	2.5
92.09322	5.2
97.02872	3.6
98.92378	3.1
111.04469	3.5
119.04919	15.6
119.08526	3.6
121.02827	57.4
123.79310	2.7
131.04924	2.7
142.24895	2.7
147.04338	3.3
163.03847	5.3
164.15993	2.7
177.01787	3.4
179.03412	4.6
187.07994	2.8
187.39925	2.7
189.01862	5.5
191.03374	11.1
195.02861	17.2
195.88637	3.3
203.03311	31.1
205.04892	4.8
207.02834	21.2
215.03357	18.5
217.04916	5.2
219.02844	4.6
221.04298	6.5
231.02924	3.7
233.04411	5.0
243.02834	4.7
255.03018	3.1
255.06419	3.7
267.06281	4.7
268.07184	6.2
279.06396	12.0
283.05957	32.7
284.06732	4.5
293.08041	5.6
294.05081	12.1
295.02563	3.7
295.05902	100.0
296.06720	6.3
297.07437	24.3
305.07962	4.0
307.05930	86.1
308.06613	18.2
309.07419	51.5
312.06128	4.9
313.07016	3.6
317.08096	4.6
319.05804	11.7
320.06668	10.9
321.07446	80.7
322.04767	4.3
322.08273	11.4
323.05368	5.1
323.08948	13.0
325.06931	82.5
329.07843	4.1
333.07486	58.9
334.08160	5.9
335.05475	8.4
335.09073	27.4
336.06128	6.2
337.06964	48.7
345.07516	16.9
347.05286	5.2
347.09317	4.1
349.06927	61.8
350.07675	5.4
351.08365	27.7
353.06424	6.1
361.06927	54.1
362.07635	5.8
363.08572	24.8
367.27179	5.7
373.06808	17.6
375.08447	10.1
377.06430	5.1
379.07956	39.6
391.07941	60.8
401.10168	4.5
403.07867	5.8
407.07297	5.9
409.09082	50.5
419.11557	4.1
421.08749	5.5
427.10046	13.0
429.09610	5.0
439.10172	10.6
447.10861	5.6
457.11182	6.8
463.10028	15.6
475.09702	20.9
481.11172	83.6
493.11154	49.2
511.12183	92.7
529.13446	23.0
546.32941	3.9
547.14294	10.7
547.34436	29.1
549.76880	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	547.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83017	1.9
52.48853	1.5
53.03950	1.7
55.01849	8.5
55.05501	6.7
55.16481	1.5
57.03411	3.9
59.97833	1.7
61.02885	3.5
67.05485	4.0
67.24046	1.6
67.82676	1.5
68.10453	1.6
69.03404	7.3
69.07039	18.1
71.04972	1.9
79.05443	3.4
81.03385	7.3
81.07026	8.4
85.02870	8.8
85.31715	1.6
89.05982	15.5
91.05449	9.0
92.08799	3.9
92.54193	1.8
93.06981	4.2
95.04918	3.0
95.08573	4.6
97.02842	2.8
105.07018	2.3
107.04906	8.5
107.08553	7.4
109.02859	3.1
111.04393	3.1
119.04903	14.8
121.02821	46.2
121.10133	3.5
123.11652	2.1
127.03874	3.0
131.04893	3.0
133.10062	4.1
137.05917	11.5
139.03848	9.7
145.02820	9.2
147.04332	10.0
147.11646	2.1
149.09586	2.1
161.05943	2.7
163.03868	4.4
165.01677	2.3
173.05902	2.7
175.03859	3.0
177.01909	2.7
177.05260	2.4
179.03271	3.4
181.04985	2.8
187.07458	3.7
189.01740	11.4
191.03307	7.7
191.14294	3.6
195.02798	16.9
201.05386	2.4
203.03310	18.3
205.04959	4.2
207.02846	17.0
215.03311	9.4
217.04871	9.6
219.02847	7.0
221.04364	7.6
229.04944	3.3
231.02843	3.5
232.08665	2.2
233.04375	9.4
239.14714	2.6
257.04395	3.2
267.06339	3.3
268.07205	8.1
271.13275	3.0
279.06393	9.6
281.08017	3.2
283.05893	19.3
284.06589	4.1
291.06409	2.2
292.07233	3.0
293.07785	3.1
294.05179	13.4
295.05893	100.0
295.09308	3.3
296.06613	10.4
297.07513	17.8
307.05899	80.6
307.09109	3.1
308.06586	20.0
309.07388	33.3
313.06995	4.5
313.14081	2.2
317.07861	3.4
319.05701	7.7
320.06631	16.4
321.07452	57.7
322.08200	4.4
323.08890	8.6
325.06915	68.1
333.07413	25.9
335.05295	6.7
335.09000	14.7
336.06216	9.8
337.06934	46.8
339.08405	9.2
345.07202	3.4
347.08899	16.0
347.29327	2.0
349.06982	48.4
349.10892	3.4
349.25656	10.7
350.25909	3.1
351.08548	23.1
353.06229	4.5
361.06760	20.8
363.08521	16.5
365.06235	4.6
365.10120	8.5
367.07950	13.7
373.06888	3.3
375.08408	15.9
377.05991	3.7
377.10141	7.3
379.07983	46.6
389.10468	3.2
391.08105	21.9
393.09540	14.4
397.09064	28.4
403.07764	13.8
405.09460	9.4
409.09158	14.9
415.09830	3.7
417.09662	3.3
419.11423	2.6
421.08817	26.7
427.10074	15.5
429.09399	3.3
439.10025	35.3
445.08966	7.8
447.10321	9.4
451.10260	2.6
457.10577	2.5
463.09702	4.1
465.11456	10.5
467.09589	4.2
475.10004	20.1
481.10977	8.3
483.12604	4.0
493.11197	32.3
511.12195	56.7
529.13196	64.5
546.32819	9.5
547.14355	9.2
547.33325	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	546.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01864	0.6
55.05497	10.6
57.03421	0.9
57.07056	1.3
61.02902	1.6
67.05479	1.1
68.86035	0.7
69.03401	3.9
69.07044	100.0
70.07377	0.7
71.04947	1.0
72.24242	0.7
73.02928	0.8
81.03381	1.3
81.07008	1.0
83.08618	0.9
85.02881	17.5
87.04414	2.5
88.78105	0.7
89.05997	77.0
93.07026	0.9
95.08551	0.7
97.02859	4.5
107.04925	1.0
107.07039	4.3
108.47850	0.7
111.11684	10.2
127.03896	1.5
133.08559	25.6
135.04477	0.8
137.02399	0.9
145.04958	0.8
151.09578	2.9
163.03828	1.3
177.11205	5.8
217.17923	2.9
221.13742	0.9
239.14796	11.6
261.20505	1.5
349.25650	3.0
367.26776	87.5
414.63928	0.8
546.33246	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	547.1435
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.56346	0.1
51.99490	0.1
53.03910	0.5
55.01835	0.2
57.03396	0.3
61.02889	0.1
61.15915	0.1
65.03490	0.1
66.56157	0.1
67.01826	0.1
67.05464	0.1
68.99762	0.1
69.03093	0.1
69.03403	1.2
69.07021	0.2
71.04932	0.1
71.82308	0.1
73.02872	0.4
73.75060	0.1
79.05474	0.1
81.03379	2.0
81.07007	0.2
83.04951	0.1
85.02872	1.8
87.00800	1.0
87.04422	0.1
91.05402	0.1
92.09300	0.1
93.07010	0.1
97.02868	0.7
97.06475	0.7
99.04414	0.5
99.49104	0.1
105.01804	0.2
105.03294	0.1
105.06977	0.4
107.08593	0.1
109.02848	0.8
117.01756	0.2
119.08495	0.1
124.01501	0.3
127.03869	0.9
133.06435	1.2
135.04326	0.1
145.04913	0.1
159.02861	0.4
159.04292	0.2
163.03839	0.1
165.05313	0.1
167.03325	1.2
185.04359	0.1
197.05994	0.1
201.05383	0.1
211.07454	0.1
213.05530	0.1
227.06970	0.1
239.06902	0.2
256.07196	19.8
257.07547	0.3
284.06677	15.6
285.06833	0.1
287.05396	0.4
299.09024	100.0
300.09412	1.1
361.02722	0.1
450.06494	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	546.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70075	4.0
52.40744	4.2
55.05489	6.4
63.31461	4.2
67.05485	11.0
69.07036	6.9
77.86628	4.8
79.05462	6.2
81.07005	12.4
91.05439	12.5
93.07018	20.7
95.08548	27.8
97.06473	6.1
101.06004	4.9
105.06983	30.3
107.08522	37.8
109.06493	12.7
109.10153	9.1
111.08041	6.9
115.86320	5.1
117.06940	11.1
119.08536	91.4
121.10106	21.4
131.08517	37.7
133.10072	38.8
135.07986	10.1
135.11649	8.9
143.08522	25.4
145.10081	100.0
147.11653	25.1
149.09595	6.3
155.08528	4.9
156.09285	11.7
157.10085	34.2
159.11626	66.5
161.09610	6.0
161.13179	11.5
163.11214	5.8
163.14732	6.1
171.11639	31.1
173.13217	60.3
175.11081	8.0
175.14774	8.4
177.12698	22.0
183.11623	20.2
185.13190	74.5
187.11140	6.0
187.14771	92.2
189.12613	20.9
191.14284	7.6
199.14803	22.8
201.12648	10.0
201.16245	12.8
203.14363	12.8
205.15846	12.8
207.76466	5.4
215.14186	5.7
219.13770	5.9
223.12985	6.1
231.13649	6.1
233.15308	8.4
244.79324	5.4
249.14510	6.1
271.45560	5.8
274.32413	5.4
309.14960	4.9
373.74426	6.5
396.24005	6.0
443.94955	5.4
457.34680	6.0
465.29483	20.9
467.31528	10.4
483.31067	55.8
511.30371	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	546.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41441	0.4
50.57846	0.3
52.72912	0.4
53.03926	4.8
55.01849	6.3
57.03417	7.2
57.07045	1.9
61.02900	7.2
63.04475	0.6
64.32656	0.4
64.48724	0.4
68.99767	3.4
69.03402	37.4
70.06558	0.9
70.78864	0.5
71.04966	4.9
73.02878	6.4
81.03387	25.0
82.06544	7.9
83.01330	0.7
83.04955	0.9
84.08101	0.5
85.02874	100.0
86.09695	0.5
87.00797	49.3
87.04440	1.9
89.03377	0.4
91.03914	0.8
95.04962	0.6
97.02854	40.3
99.04417	12.2
100.07561	3.1
101.02343	0.9
103.03947	0.7
103.07839	0.5
104.23814	0.4
105.01829	54.4
109.02844	32.0
111.04404	0.8
111.49719	0.4
117.01814	2.4
119.10657	1.9
123.04403	0.8
125.02302	0.5
127.03867	58.9
129.01781	4.4
141.48810	0.5
142.08589	49.1
145.04907	15.6
145.05960	0.9
147.02872	1.1
151.03847	0.6
153.05373	3.4
159.02834	8.5
167.07042	0.8
171.02817	0.5
189.03909	1.8
194.19821	0.5
205.83914	0.5
213.03893	6.0
227.12692	1.9
231.04903	18.9
231.98386	0.5
249.05951	10.2
281.12286	0.5
313.12820	0.6
339.08521	0.6
349.14728	0.9
367.15778	0.6
384.11075	0.5
384.23767	1.0
546.29382	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	546.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90113	0.6
55.01850	1.3
55.05482	4.8
55.28584	0.7
56.96547	0.8
57.03413	0.7
61.02896	1.6
65.03909	3.5
67.05482	10.6
68.99745	1.5
69.03407	21.6
70.06551	0.8
81.03392	1.0
83.04469	1.6
83.04945	39.2
84.35822	0.7
85.02885	11.9
86.33075	0.7
87.00805	3.4
87.04411	1.0
89.03869	3.3
91.05438	1.7
93.03363	15.9
94.55649	0.7
95.01295	1.1
95.04927	29.5
96.73601	0.7
97.02861	3.2
99.13082	0.8
101.05991	0.9
107.04942	1.6
111.04402	59.1
112.79468	0.7
115.03873	0.8
116.98576	1.3
117.03358	3.4
119.04912	1.7
121.02792	7.9
123.04382	7.1
129.05423	41.3
129.06897	1.1
133.02798	5.4
135.04353	17.6
136.06128	11.3
137.02263	2.8
139.02815	1.6
139.03854	33.6
139.04980	1.4
145.02795	10.1
147.04398	13.8
147.06448	16.1
151.03845	5.7
153.05357	1.2
157.04901	28.8
157.06279	1.6
161.01205	1.0
161.05850	1.5
163.03836	100.0
171.04297	0.9
173.05956	3.0
174.02916	0.8
175.03838	8.2
175.05960	28.7
177.01790	1.6
177.05391	3.5
179.03331	37.1
183.04352	1.1
185.05914	4.4
187.03841	3.4
189.01817	1.9
189.05415	1.2
191.03378	5.9
193.06998	20.6
199.03877	1.4
201.01819	0.9
201.05438	2.0
203.03387	8.6
203.06952	4.6
205.04903	4.8
207.02805	7.7
215.03302	3.8
219.02972	5.9
221.04378	3.7
229.04886	3.0
231.02908	6.4
231.06403	5.2
233.04373	14.4
235.02325	5.8
237.02734	1.9
245.04349	3.6
247.02234	3.9
247.05988	1.5
249.03755	1.8
249.17137	0.9
257.04358	1.3
259.02271	1.5
268.10205	1.4
271.02121	1.4
273.03842	1.1
275.05460	10.0
277.03333	1.7
291.04959	0.9
293.06512	7.0
301.03430	1.0
319.04330	10.2
337.05350	14.7
337.08966	1.6
355.06644	5.8
355.10208	5.2
488.11401	1.0
511.10568	3.8
529.11884	1.1
546.14398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08009	0.8
53.00280	1.2
53.03922	2.3
54.21219	0.8
55.01849	1.6
55.05495	27.0
57.03416	4.3
57.07038	1.6
57.10824	0.8
65.03909	1.6
67.05479	64.5
69.07037	19.1
69.08416	0.9
71.04973	2.0
79.05458	53.2
81.03395	1.4
81.07023	100.0
82.07352	1.2
82.27986	0.8
83.04945	7.8
83.08585	9.9
84.82963	0.9
85.06527	5.0
91.05443	39.5
92.05779	1.1
93.07008	50.0
95.04942	7.2
95.08567	40.3
97.06488	5.2
97.10149	3.3
99.08059	1.8
104.84840	1.1
105.06994	41.5
107.08557	24.0
109.06497	5.2
109.10113	11.8
110.10522	1.1
111.08054	1.1
117.06990	9.0
119.08540	27.9
121.10104	22.3
123.07961	2.9
123.11671	20.0
125.09620	1.4
127.07539	1.2
131.08528	7.5
133.10081	7.0
135.08070	1.1
135.11647	9.2
137.13202	1.2
145.10080	8.0
147.11638	39.2
149.13234	5.9
157.10106	1.1
159.11646	1.2
165.12701	15.6
173.13196	1.9
179.61320	1.0
183.13734	1.2
193.12158	1.4
229.14333	3.5
261.22144	7.6
267.15787	29.3
270.32669	1.0
527.36987	4.8
544.37457	1.8
545.38141	59.9
572.59607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
53.69021	1.5
54.80846	2.0
55.01850	9.3
55.05238	2.9
55.05493	57.1
57.03418	23.8
57.07050	3.6
59.04991	2.0
64.12352	1.4
65.03902	3.2
67.05482	100.0
69.03407	3.4
69.07040	24.4
71.04966	3.0
71.18828	1.8
79.05450	57.8
81.03387	76.7
81.07021	84.4
83.04953	9.1
83.08595	31.6
85.06506	1.6
85.96693	2.0
91.05441	50.6
93.07008	67.5
95.04926	38.9
95.08567	62.7
97.06496	7.2
97.10147	22.7
105.06991	46.4
106.47689	1.8
107.04889	14.5
107.08563	42.0
109.06478	9.5
109.10114	28.0
111.08057	8.1
115.05457	3.3
117.06980	21.0
119.08517	34.5
121.06474	10.5
121.10104	25.7
123.08012	7.1
123.11673	7.7
125.09589	14.5
129.06955	16.6
131.04918	1.7
131.08504	42.1
133.06470	6.6
133.10098	23.7
135.07997	9.0
135.11627	16.9
137.09621	3.1
141.06978	1.9
142.07701	2.4
143.08522	8.8
145.06416	2.1
145.10098	19.9
147.07982	3.5
147.11632	17.4
149.09595	7.9
149.13225	8.5
155.08466	2.4
157.10081	16.2
159.11626	17.8
161.09557	1.8
161.13168	8.6
163.11111	2.5
163.14703	2.6
165.12842	2.2
171.11632	3.9
173.13220	9.7
175.11191	8.9
175.14778	4.3
177.12714	2.6
181.10028	2.4
183.11594	2.4
185.13313	2.6
187.14691	3.0
189.11081	2.6
193.12207	12.7
227.12720	7.4
239.52930	1.9
261.22116	11.5
267.15842	26.8
301.25061	10.1
317.24670	2.8
335.25620	29.6
421.26373	2.7
435.32489	4.3
453.33463	8.0
471.34546	7.4
478.82687	2.3
485.94028	2.0
527.37231	47.9
545.30493	2.8
545.38226	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	545.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
55.01854	4.8
55.05244	2.5
55.05496	48.6
57.03421	19.7
57.07041	2.6
59.04958	2.7
64.81087	1.8
67.05482	100.0
69.03384	3.1
69.07037	22.8
70.45135	2.0
71.04953	4.0
71.06837	1.9
77.03871	2.4
78.94803	1.9
79.05462	74.5
79.12663	2.2
81.03388	75.0
81.07030	95.8
83.04950	12.4
83.08584	29.8
85.02864	11.7
91.05444	60.9
93.07013	69.8
95.04935	36.6
95.08575	53.4
97.06479	4.4
97.10140	18.5
105.07005	46.9
107.04921	11.9
107.08567	45.4
109.06463	4.1
109.10111	23.7
111.07984	3.2
117.07015	17.4
119.08524	38.0
121.06467	8.8
121.10090	26.3
123.07967	4.2
123.11679	4.3
125.09577	12.7
125.70272	1.8
129.06966	11.6
131.08525	31.9
133.06430	2.1
133.10056	21.9
134.20847	1.8
135.07951	2.9
135.11647	13.0
137.09604	2.9
139.35823	2.1
141.06982	1.9
143.08524	5.1
145.10095	15.2
147.08003	3.2
147.11693	15.6
149.13210	7.9
150.23015	2.4
157.10103	15.4
159.11630	13.1
161.13225	8.8
169.10028	2.2
170.24748	2.5
171.11610	3.2
173.13188	11.0
173.36617	2.3
175.11093	9.2
175.14787	3.0
183.11610	5.0
185.13165	4.0
187.14780	9.1
189.11118	4.6
189.16325	2.1
193.12183	14.3
197.13235	3.9
211.13216	8.9
220.51016	2.2
227.12726	4.3
237.46014	2.4
261.22076	13.3
267.15793	28.0
299.23557	2.3
301.25171	11.5
314.83969	2.4
335.25690	31.9
413.83224	2.4
421.26352	2.4
423.54700	2.8
435.32159	3.0
453.33487	4.4
457.28308	2.2
471.34546	3.5
527.37164	45.3
545.38165	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.1
53.03919	5.5
55.01849	4.4
55.05242	1.1
55.05494	33.6
57.03414	14.5
57.07043	1.6
65.03896	3.7
67.05479	67.2
69.03383	1.7
69.07040	20.2
71.04958	7.9
71.89825	0.8
77.22982	0.9
79.05457	62.7
81.03383	51.3
81.07019	63.6
83.04946	9.1
83.08585	20.6
83.91706	0.8
85.02869	24.3
85.06498	2.1
91.05440	54.6
92.03718	0.9
92.09309	1.0
92.89511	0.9
93.07003	67.8
95.04927	28.5
95.08563	42.4
95.80855	0.9
97.06492	5.2
97.10118	5.9
103.55795	0.9
105.04453	1.5
105.06984	34.4
106.60929	0.9
107.04919	4.3
107.08560	30.9
109.06488	5.0
109.10123	14.9
111.04410	1.0
111.08042	5.6
115.05408	1.5
116.02891	1.1
117.06966	8.6
119.08524	31.6
121.06445	2.1
121.10105	22.8
123.08012	2.2
123.11649	3.7
125.09592	4.0
126.36944	0.9
129.06973	9.0
131.08510	20.0
133.06467	2.2
133.10078	19.2
135.11655	10.9
137.09607	1.7
138.79576	1.2
141.06958	0.8
142.07776	3.5
143.08531	5.7
145.06384	1.0
145.10065	10.2
147.07977	1.1
147.11641	17.0
149.09612	3.9
149.13222	4.7
157.10065	11.4
159.11650	7.3
161.13188	4.3
165.12704	1.7
165.21898	0.9
169.10068	1.4
169.43376	1.0
171.11601	1.4
173.13246	4.1
175.11110	6.1
175.14789	1.6
183.11668	1.9
185.13210	4.0
187.14780	2.1
189.11186	1.0
191.90379	0.8
193.12169	22.3
195.11617	1.1
199.14775	1.8
211.11357	1.6
211.13188	19.6
243.12358	0.8
261.22052	5.0
267.15887	9.2
274.10727	0.9
288.25516	0.9
301.25247	1.4
335.25662	7.2
367.61972	0.9
368.52594	1.0
435.32779	1.2
453.33572	1.9
471.34396	0.9
527.37085	10.6
545.38147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3291
Annotation	CHEBI:67702
Peak:m/z	Relative Intensity
55.58725	0.4
61.46920	0.4
69.03398	0.7
69.07066	0.5
69.24004	0.4
81.07017	2.0
85.02881	0.8
85.06519	0.4
89.58469	0.5
91.05450	0.6
93.07021	1.9
94.07344	0.5
95.04942	0.6
95.08604	1.9
100.57777	0.4
105.07027	1.1
106.07268	0.5
107.04948	0.5
107.08552	0.6
109.10149	0.7
119.08553	1.8
121.10159	0.8
133.10132	0.6
163.03899	1.9
184.62955	0.5
365.26547	1.0
383.27649	2.9
430.24963	0.5
544.31775	7.9
545.32733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
56.96533	0.3
67.05488	0.6
69.03407	0.7
69.07039	0.8
69.29858	0.3
79.05443	0.6
81.03393	0.5
81.07037	2.4
84.08143	0.4
85.02872	0.7
85.06543	0.4
91.05450	1.4
93.07015	1.8
95.08576	1.9
97.02856	0.5
97.06485	0.5
98.97516	0.4
103.03925	0.4
105.07003	1.9
107.04922	0.4
107.08564	2.2
109.10141	0.6
112.83889	0.4
114.58669	0.4
121.10111	0.8
123.11640	0.5
125.05939	0.4
127.03929	0.4
133.10109	0.8
135.11583	0.5
137.06009	0.5
147.11763	0.5
163.03928	0.8
244.65289	0.4
273.09686	0.4
284.26517	0.4
312.95844	0.4
353.20737	0.4
383.27600	1.5
544.31708	4.5
545.32727	100.0
546.32794	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93007	1.6
52.54863	1.6
53.03923	8.0
55.01852	9.8
55.05493	49.1
56.02503	1.5
57.03421	21.8
57.07064	4.7
62.81555	1.6
63.75521	1.7
65.03898	3.0
65.55475	1.9
67.05482	100.0
69.03419	2.4
69.07041	24.6
71.04955	2.4
73.55078	1.9
77.24141	1.9
79.05462	75.3
81.03389	76.6
81.07021	92.6
83.04964	7.7
83.08594	20.7
86.15445	1.7
91.05446	56.6
92.08749	2.1
93.06999	66.4
95.04942	33.6
95.08571	65.7
97.06483	5.0
97.10123	20.9
105.06998	44.9
107.04919	9.7
107.08556	40.2
109.06483	7.9
109.10108	32.7
111.08034	7.6
117.06989	16.3
119.08531	40.9
121.06451	8.1
121.10114	26.2
123.08007	2.8
123.11682	10.3
125.09582	12.4
129.06967	16.1
129.54884	2.5
131.08513	33.4
133.06500	2.4
133.10071	24.0
135.07948	2.8
135.11662	19.7
137.09546	3.7
141.06918	2.7
142.07755	2.6
143.08495	7.9
145.10074	26.5
147.08009	4.6
147.11635	13.8
149.09581	10.1
149.13203	8.8
155.08447	2.6
157.10114	17.1
159.11617	17.3
161.09615	3.0
161.13220	10.0
163.14697	2.6
171.11604	4.8
173.13203	13.2
175.11153	4.4
175.14719	4.2
183.11615	3.5
185.13199	4.8
187.14752	8.5
189.11166	7.8
193.12189	8.8
197.13293	3.6
227.12732	11.8
233.15158	2.7
247.16771	2.3
261.22119	13.6
267.15775	42.2
285.21902	2.7
287.19998	3.1
301.21906	2.4
301.24994	14.4
317.24576	2.2
335.25626	25.9
386.66522	2.3
421.25705	3.9
435.27148	2.1
435.32401	4.4
453.33298	15.7
470.27719	2.2
471.34451	4.6
509.35501	2.4
527.37170	50.9
545.38226	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22584	0.3
51.02358	0.3
53.03929	0.5
55.01847	1.3
56.67468	0.3
57.03411	1.1
60.99921	0.3
61.02896	1.8
67.05480	0.6
69.03405	4.3
71.04997	0.3
79.05457	0.7
81.03374	1.1
83.04945	0.3
85.02876	11.9
87.04454	0.3
91.05440	4.2
93.07009	1.6
95.04914	1.2
97.02867	2.9
98.89198	0.3
99.66808	0.3
102.04667	0.4
103.05431	22.8
105.06980	1.4
107.04928	1.3
109.02838	1.2
109.06466	0.3
109.10110	1.3
111.04397	0.5
115.03871	0.3
117.06967	0.5
119.04896	4.1
119.08557	0.7
120.91547	0.3
121.06483	3.7
122.03606	1.2
123.04385	3.0
124.05182	1.6
127.03838	1.4
129.06978	1.5
129.90018	0.3
130.04150	1.2
131.04884	100.0
133.02794	2.8
133.06421	2.0
135.04347	1.4
137.05933	28.2
137.09573	1.6
145.02805	0.4
145.04909	0.4
145.06464	0.4
147.04373	35.3
147.07990	5.3
149.05934	7.5
150.06725	2.1
151.07513	6.0
157.06453	1.4
159.04408	0.3
159.08006	0.5
161.05894	3.0
162.06729	4.5
163.07486	46.9
165.05458	0.6
165.06941	0.4
165.09117	2.5
167.07001	1.5
167.08383	0.3
175.05956	0.6
175.07483	17.9
177.05455	2.2
179.07021	2.2
183.08006	0.4
187.07492	1.1
193.06723	0.6
193.08533	15.4
195.07997	1.3
205.08505	1.1
210.06648	0.4
211.07501	0.5
221.09589	0.4
223.07440	0.4
225.08978	0.5
233.09460	0.3
239.06947	0.4
251.07060	0.6
253.08507	1.3
253.12224	1.1
267.09897	0.6
271.09601	2.9
273.11035	0.5
281.11771	0.4
285.11087	0.4
297.10965	1.3
299.12662	2.9
311.12567	0.5
317.13699	12.2
329.16068	0.4
402.61664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.5
53.03928	0.6
55.01851	2.5
57.03416	1.0
58.32842	0.5
60.14634	0.5
61.02893	0.6
63.48870	0.5
65.03917	0.6
69.03402	4.0
71.04951	0.9
72.92394	0.5
73.02885	0.7
79.05458	1.2
81.03381	2.3
81.07014	0.5
85.02878	7.4
91.05446	6.9
93.07001	2.1
95.04928	2.5
97.02849	3.0
99.04418	0.5
103.05430	25.4
105.06989	5.5
107.04925	4.5
109.02829	0.7
111.04385	0.8
117.06986	0.9
119.04897	6.2
119.08549	2.1
121.06463	8.8
122.03602	2.1
123.04384	9.8
124.05172	0.8
127.03864	2.5
129.06992	2.8
130.04106	3.0
131.04880	100.0
133.02800	5.2
133.06436	5.9
135.04375	2.8
135.07932	0.6
137.05931	50.2
143.04965	0.6
145.06454	1.2
147.04370	48.5
147.08005	8.7
149.05931	17.5
150.06772	4.0
151.07504	11.0
152.12416	0.5
157.06416	3.3
159.04311	0.7
160.05179	0.5
161.05933	8.1
162.06708	13.1
163.07481	42.2
165.05426	1.1
165.06879	0.7
167.06987	2.3
167.08342	0.6
175.05962	0.8
175.07481	23.0
177.05365	4.0
179.07024	5.6
180.07782	0.6
187.07500	2.1
189.08997	0.6
189.85144	0.6
191.06950	2.0
193.08530	16.6
195.08023	2.0
201.09291	0.6
201.11217	0.6
203.07031	1.2
205.08476	5.6
207.02808	7.6
211.07478	1.0
213.09023	0.8
221.05913	1.2
221.09578	0.7
223.07530	0.7
225.09087	0.7
239.06895	0.9
241.08449	1.1
251.06859	0.8
253.08627	1.0
253.12157	0.6
255.09837	0.8
263.05374	0.5
271.09491	4.2
273.11139	0.6
281.11713	0.5
283.09567	2.2
297.11081	2.6
299.12570	7.2
302.72195	0.7
307.04239	1.8
311.12677	0.8
317.13791	12.5
329.13748	4.1
335.03888	1.0
346.06311	0.5
544.23682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04653	0.3
55.01852	0.5
57.03415	0.5
61.02879	0.3
69.03400	1.9
71.04974	0.4
77.03896	0.4
85.02882	3.3
91.05444	2.8
93.07027	0.4
95.04946	0.4
97.02814	1.2
103.05431	22.0
105.06956	1.3
105.97830	0.3
107.04913	1.2
119.04843	3.0
119.08514	0.7
121.06456	3.0
122.03553	0.6
123.04378	1.6
124.05193	0.5
129.06972	1.6
130.04170	0.3
131.04883	100.0
133.02794	0.6
133.06439	0.7
135.04323	0.5
137.05930	23.4
145.06497	0.5
147.04370	32.9
147.07990	7.1
149.05946	4.0
151.07494	5.4
157.06487	1.2
161.05875	2.9
162.06686	3.8
163.07483	38.5
165.06967	0.3
173.05943	0.3
175.07484	15.4
177.05392	0.6
179.06998	1.4
180.07671	0.4
183.07997	0.4
187.07463	0.4
193.06734	0.5
193.08536	12.2
193.10164	0.6
195.07944	1.1
205.08548	0.6
207.02780	0.5
211.07458	0.5
213.09181	0.5
221.05913	0.7
221.09595	0.6
223.07526	0.6
225.09003	0.4
237.09012	0.4
239.06947	0.6
251.07069	0.7
251.10405	0.4
253.08510	1.3
271.09561	1.9
273.11246	0.5
297.11240	0.4
299.12729	3.2
311.12729	0.5
317.13745	8.7
389.06296	0.4
544.17212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79134	0.6
67.05473	1.0
68.78978	0.7
69.03393	1.2
77.78145	0.7
79.05470	1.0
81.07029	3.1
85.02884	1.3
88.87703	0.6
93.07030	2.8
95.08572	1.3
107.04917	8.5
107.08580	1.2
109.10144	0.8
119.36613	0.6
121.06473	2.9
137.05939	3.4
159.11736	0.8
191.11954	0.7
365.03412	0.7
447.29935	0.9
543.29120	100.0
544.29163	3.3
549.37531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44740	1.4
54.80711	1.4
55.05478	1.8
59.26155	1.6
65.92693	1.4
67.05452	7.4
69.03396	2.4
69.07035	3.2
77.93143	1.3
79.05435	3.3
81.06996	8.6
83.04961	1.5
85.02843	7.3
91.05447	2.9
93.06974	6.3
95.08543	3.0
97.02837	2.5
104.71096	1.7
105.06952	9.7
107.08514	8.0
107.85564	1.7
109.10074	2.3
119.08518	7.3
121.10057	3.8
129.12253	1.7
133.10100	6.1
135.11584	1.6
145.10117	5.5
145.55681	1.4
146.15607	1.5
146.58638	1.4
147.11571	2.9
149.02229	10.5
151.11153	1.6
175.14694	2.5
213.96986	1.4
240.46779	1.7
367.11368	2.0
543.29004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
54.29271	1.5
55.01851	4.1
55.05494	30.6
57.03403	9.0
57.07031	2.3
67.05481	44.6
69.07041	14.8
71.04958	3.0
76.27055	1.5
79.05456	38.9
80.22235	2.2
81.03385	21.6
81.07022	39.2
83.04960	6.9
83.08587	15.1
91.05439	42.6
93.07003	27.1
95.04922	14.0
95.08569	25.2
97.10136	11.3
105.06989	33.2
107.04942	3.8
107.08572	18.4
109.06487	2.8
109.10139	17.1
111.08015	2.5
115.05421	3.2
117.06972	18.5
119.08533	32.5
121.06447	3.0
121.10121	10.1
123.07980	2.4
125.09601	8.7
128.06200	7.8
129.06958	20.0
131.08525	32.3
132.44907	1.7
133.10089	18.1
135.08046	3.5
135.11545	1.8
141.06947	8.0
142.07751	3.0
143.08504	16.9
145.06459	2.9
145.10059	24.5
147.08023	2.2
147.11676	11.0
149.09637	2.5
154.07765	2.5
155.08521	12.7
155.94270	1.8
157.10065	18.1
159.07961	2.7
159.11650	16.3
161.13156	3.1
167.08577	4.1
169.10062	12.1
171.08011	2.4
171.11662	11.0
173.09625	2.3
173.13216	11.0
175.11061	2.2
175.14648	2.0
176.82086	1.8
181.10085	11.1
183.11682	10.6
185.09541	3.0
185.13187	11.7
187.11093	2.3
195.11652	7.3
197.13187	4.0
199.14755	6.4
207.11716	2.6
221.13164	2.4
223.14854	3.0
231.37601	1.9
237.16396	2.4
238.06633	1.8
241.80339	1.8
259.20511	2.6
267.15854	6.7
299.23639	4.5
433.30957	7.5
451.31891	7.5
469.33057	4.1
507.34329	2.5
525.35602	24.2
543.36664	100.0
559.64703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.2
57.07060	55.3
63.21389	1.2
63.74398	1.0
66.74551	1.2
66.74950	1.0
67.05476	1.2
67.13531	1.2
69.07038	3.0
71.08610	30.1
73.06538	11.1
79.05450	1.1
81.07007	1.6
82.85553	1.2
83.08604	3.1
85.10162	25.9
87.04445	7.9
89.06001	100.0
91.07537	1.7
92.08606	2.7
97.10156	4.6
99.11702	2.4
107.07051	2.7
117.09068	2.2
133.08565	34.4
155.17905	2.1
171.13435	1.5
177.11165	14.6
183.44580	1.3
199.20567	1.6
243.23094	10.3
247.31621	1.4
260.75000	1.4
287.25775	6.1
327.20096	1.5
338.30017	1.3
367.70541	1.6
371.22751	6.6
387.00558	1.3
506.36954	1.8
525.39972	20.4
542.42120	4.9
543.36841	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76153	0.1
54.80784	0.1
57.03402	0.2
58.06128	0.1
59.02154	0.1
61.02877	0.1
65.64061	0.1
66.22854	0.1
67.05470	0.2
69.03397	0.2
69.07029	0.3
71.04955	0.1
76.54990	0.1
79.05453	0.3
81.03363	0.3
81.07024	0.7
81.26215	0.1
84.08097	0.1
85.02872	1.2
91.05431	0.5
93.06981	0.2
94.04153	0.3
94.06564	0.1
95.07300	0.2
95.08558	0.2
96.08085	0.4
97.02850	0.3
97.06512	0.1
102.73011	0.1
103.05434	0.5
107.04949	0.1
107.08527	0.2
108.08091	0.4
109.10094	0.1
110.09666	1.1
117.04520	0.1
119.04871	0.4
120.08057	0.7
122.03597	2.6
127.03858	0.2
131.04893	0.9
133.06433	0.1
136.07489	0.2
137.05927	100.0
138.06268	0.8
138.09117	0.7
146.05937	0.2
148.07503	0.2
151.07480	0.6
163.03883	0.1
163.07466	1.9
165.08986	0.1
166.08585	1.2
167.06917	0.8
177.09041	0.4
178.09377	0.2
181.08524	7.2
195.07872	0.1
237.10182	0.5
239.07991	0.1
239.34721	0.1
251.37895	0.1
253.09541	0.2
265.09683	0.6
281.09149	0.2
283.10858	0.2
293.09006	0.2
295.10645	0.2
311.10043	0.2
327.09680	0.2
339.09613	0.5
359.12173	0.2
371.12067	0.2
387.03772	0.4
417.04953	0.2
418.17709	0.1
464.17752	0.4
492.17526	0.8
532.97845	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	542.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98263	0.2
53.03931	1.8
55.01862	1.1
55.05493	2.8
57.03421	6.0
57.07068	0.3
61.02900	0.5
67.05479	2.0
69.03403	9.9
69.03771	0.4
69.07044	1.5
71.01340	0.3
71.04969	1.5
73.02878	0.3
75.04447	7.7
79.05460	18.6
81.03382	8.1
81.03822	0.4
81.07021	6.5
83.04962	1.4
85.02869	6.0
87.04446	0.5
91.05448	12.4
93.07008	100.0
94.07339	0.5
95.04930	6.0
95.08559	4.9
97.02853	6.7
97.06483	1.2
98.06622	0.3
99.04408	2.0
103.05408	0.4
105.04478	0.6
105.06995	9.3
107.04961	0.6
107.08554	13.6
108.09621	0.3
109.02831	3.5
109.06510	0.6
109.10113	0.5
111.04411	1.2
111.08054	6.5
111.08754	0.5
116.06204	0.3
117.06967	0.4
119.08537	11.2
121.06483	3.0
121.10099	83.4
122.10432	0.6
123.08017	2.8
123.11660	1.9
125.05938	0.6
127.03872	3.2
129.06929	0.4
131.04866	0.4
131.08534	5.6
133.07544	1.1
133.10086	1.1
135.11644	0.5
137.05936	1.4
139.11111	4.3
143.08575	0.4
145.04887	1.6
145.10065	1.4
149.09576	11.4
163.07504	0.6
163.11224	0.4
167.06972	1.9
167.10612	19.4
168.10974	0.3
175.11002	0.4
177.05530	0.3
179.06987	7.7
189.09094	0.6
191.07007	4.1
191.10617	0.4
201.09123	0.4
203.10666	0.5
205.08565	0.5
209.08032	1.7
231.10065	0.6
257.11499	0.3
271.13196	0.3
275.12762	0.5
283.15207	1.2
285.14633	0.3
293.13708	4.1
299.16336	0.5
308.26657	0.3
311.14783	11.8
327.15778	3.1
327.25037	0.7
329.15759	1.5
345.16806	1.8
379.24460	0.4
380.24744	0.4
413.25760	0.4
471.20328	0.4
489.20776	0.5
541.29614	5.4
542.22668	0.5
542.30023	10.2
543.30518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01860	3.1
57.03414	1.9
63.79601	0.2
65.03912	0.6
66.04705	0.2
67.05471	1.3
69.03393	0.7
69.64123	0.2
70.06549	0.5
70.56420	0.3
71.04971	0.5
75.04439	1.6
77.03905	0.5
78.04674	0.5
78.57753	0.3
79.05463	10.3
81.03374	0.4
81.07013	1.5
84.08114	0.3
85.02880	2.4
85.06535	0.3
86.09690	0.4
89.03894	1.1
91.05441	11.0
92.06245	0.3
93.03349	2.9
93.07006	3.6
95.04942	3.1
95.08578	0.5
95.84601	0.3
97.06467	1.7
102.87713	0.2
103.05434	11.5
104.06216	0.7
104.96156	0.2
105.03334	0.5
105.06996	40.0
106.04139	7.3
107.04932	8.1
107.08542	1.2
108.05704	2.4
109.02850	0.5
109.06487	2.6
111.04412	0.6
111.08112	0.3
115.05431	2.7
117.03310	0.5
117.06966	1.2
118.04121	13.1
119.04898	7.0
120.05664	2.1
121.06458	12.8
122.07260	3.1
123.04356	1.8
123.08018	5.0
124.05149	3.5
125.05924	3.7
128.06194	0.4
129.06937	1.6
130.04105	0.6
130.07312	0.4
131.04878	5.1
131.08530	1.9
132.05664	2.4
132.08847	1.3
133.06448	42.2
134.03586	1.9
134.07246	2.7
135.04367	5.8
135.08014	8.4
136.05141	0.6
137.05937	14.4
138.06670	0.5
139.07535	0.6
141.06929	0.7
145.06429	0.4
146.03613	2.2
147.04359	3.0
148.05150	3.4
149.05934	20.4
150.06717	26.6
151.02051	0.5
151.03918	0.4
151.07500	8.2
152.04675	0.4
152.08266	0.4
153.05402	0.6
153.09013	2.8
157.06439	1.7
158.07039	0.7
159.07883	1.8
160.05167	1.1
160.08298	1.3
161.05925	6.2
162.01273	1.7
163.03848	3.6
163.07497	2.1
165.05394	0.7
165.09055	29.6
166.06281	0.5
167.06981	20.7
169.06464	0.7
170.06940	0.5
174.06699	4.2
175.07288	2.8
176.04654	0.4
176.07533	0.6
177.05400	9.3
178.06198	3.9
179.01663	0.4
179.06967	3.5
180.07796	0.5
181.08496	5.1
187.07130	0.4
189.09015	5.6
190.00769	1.8
190.09369	4.6
191.06953	2.2
191.09554	0.6
192.07733	0.6
193.08539	98.2
194.05643	0.4
194.08794	0.3
195.06441	0.6
197.11588	0.4
201.09015	2.7
202.09378	1.6
208.01830	0.6
209.08023	31.4
211.09586	100.0
219.10097	17.2
220.10437	12.3
221.10658	4.2
223.04141	10.3
237.30305	0.3
249.18613	0.3
312.09000	0.6
391.17606	0.5
403.17172	0.7
548.22406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	9.6
53.35201	4.0
55.05497	43.9
56.15174	3.8
57.03394	3.8
57.07045	21.5
67.05480	90.7
69.03411	6.1
69.07034	28.1
70.06561	21.5
71.08591	6.5
79.05457	92.5
81.03391	6.7
81.07025	87.5
83.04970	4.7
83.08563	10.2
88.07579	17.0
90.92144	4.3
91.05436	72.9
92.08703	5.6
93.07001	84.4
95.04919	28.0
95.08556	53.3
102.09142	17.8
105.06997	48.4
107.08533	27.1
109.10116	24.0
119.08527	28.9
121.10082	20.2
123.11594	4.9
127.18224	4.6
129.06978	6.2
131.08493	9.9
133.10054	11.4
135.11717	6.3
143.08568	4.9
147.11665	19.4
155.83759	4.8
160.12538	4.6
161.13200	5.0
171.11617	10.0
207.13660	8.6
256.26227	43.3
257.26532	17.1
261.52115	5.6
283.26056	9.4
284.29440	6.7
311.29456	36.4
312.29678	11.0
355.47058	5.6
448.97180	5.3
518.31665	4.9
540.53162	37.4
541.38635	100.0
541.53265	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	542.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81527	0.4
53.03916	0.4
55.01842	2.5
57.03401	1.0
60.05550	0.4
65.03906	0.8
67.05456	0.9
71.04937	0.4
75.04440	0.7
76.34020	0.4
78.04669	0.8
79.05470	10.9
81.07017	1.8
83.04964	0.4
85.02891	1.1
86.09652	0.5
87.82648	0.4
89.03877	0.6
91.05444	11.8
92.06180	0.5
92.51396	0.4
93.03365	2.7
93.06987	3.3
94.04147	0.5
95.04930	4.7
97.06498	2.0
103.05437	11.1
104.06197	0.9
105.03352	0.7
105.06995	37.5
106.04145	6.2
107.04919	9.3
107.08562	0.9
108.05689	2.2
109.06490	3.4
111.04372	0.7
115.05396	2.3
117.06993	1.0
118.04115	14.5
119.04931	6.0
120.05676	2.5
121.06464	12.0
122.07227	3.9
123.04402	1.1
123.08023	4.1
124.05173	3.4
125.05949	3.3
131.04843	3.3
131.08516	0.9
132.05650	2.6
132.08804	0.5
133.06444	41.5
134.03587	1.1
134.07272	1.7
135.04401	6.1
135.08002	6.6
137.05922	13.2
139.07417	0.5
141.06950	0.6
143.08710	0.5
145.45349	0.5
146.03592	2.1
147.04333	2.7
148.05115	4.9
149.04765	1.0
149.05939	19.6
149.13365	0.5
150.06711	28.5
150.07912	1.0
151.02116	0.6
151.07477	9.4
153.09013	2.9
157.06456	0.9
159.07980	0.9
160.08327	0.6
161.05923	6.7
162.01305	0.7
163.03874	3.4
163.07475	2.6
165.09058	29.0
166.06201	0.5
167.06973	20.3
170.06841	0.7
174.06686	3.2
175.07184	2.6
177.05394	9.9
178.06187	3.2
179.06973	3.6
180.07776	0.6
181.08527	5.8
189.09032	5.3
190.00754	0.9
190.09331	4.7
191.06950	2.7
191.10428	0.4
192.07681	0.7
193.08539	99.7
201.09012	1.1
202.09436	0.7
208.01939	0.6
209.08029	26.7
211.09584	100.0
212.10080	0.6
219.10109	13.1
220.08336	0.5
220.10442	13.3
221.10703	4.4
223.04170	11.6
312.08881	1.2
353.49039	0.5
353.53384	0.5
371.14352	0.6
403.17184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2765
Annotation	His Glu Gln Lys
Peak:m/z	Relative Intensity
55.05493	1.5
56.96530	4.9
57.03407	2.2
61.02873	2.2
67.05459	4.7
69.03394	2.2
73.02846	1.3
79.05437	2.0
81.03358	6.6
81.07024	4.4
83.08566	1.2
85.02850	4.7
85.06441	1.0
91.05424	4.6
92.59070	1.1
93.06979	2.9
95.04923	2.2
95.08561	2.7
97.02834	1.3
98.97500	1.1
105.06995	1.8
107.08472	2.0
119.08535	2.8
121.10083	2.7
122.10484	1.1
131.08510	1.9
133.10069	1.1
143.64037	1.2
149.09515	1.9
159.11542	1.3
163.03857	1.5
177.00549	1.6
202.61208	1.3
215.05840	1.7
263.28018	1.5
267.08823	5.6
269.10416	1.7
285.09860	7.3
311.19547	1.2
339.15039	1.3
411.12234	5.0
420.15350	1.5
429.11707	2.4
541.27240	100.0
542.27631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.5
55.05499	38.0
57.03407	5.1
57.87484	2.2
61.76140	2.6
67.05490	33.9
69.07033	12.3
70.02251	2.5
74.17448	2.5
79.05473	27.6
81.03381	4.5
81.07034	25.4
83.04948	4.1
83.08599	13.9
90.13225	2.9
91.05457	20.3
91.11061	2.8
93.06999	16.5
95.04906	5.0
95.08569	19.0
97.10126	11.8
103.05456	2.7
105.06981	17.7
107.04929	3.1
107.08565	15.3
107.50906	2.9
109.06502	3.2
109.10120	6.2
115.05440	3.5
117.06944	13.7
119.08550	13.1
121.10110	4.6
125.09573	4.0
129.06943	15.8
131.08511	16.7
133.10075	6.7
135.11668	4.6
141.06935	5.9
143.08511	17.2
145.10075	16.1
155.08470	6.6
155.91298	2.6
156.09238	3.7
157.10129	20.8
159.11681	4.7
167.08453	3.6
169.10068	12.3
171.07979	2.9
171.11639	11.0
173.13281	3.0
181.10103	4.0
183.11613	12.8
189.11252	5.9
195.11609	5.1
197.13100	3.1
209.13193	3.4
238.54712	3.5
280.36020	3.3
297.22055	4.6
317.72729	3.8
449.30148	5.0
495.18961	3.6
523.33813	6.0
541.35156	100.0
551.49792	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	540.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79967	1.1
55.05489	5.7
55.98058	1.2
57.06789	2.4
57.07057	51.9
57.15042	1.2
58.88284	1.3
60.37110	1.4
62.65040	1.3
67.05488	1.8
69.07029	5.7
70.06556	9.0
71.08251	2.4
71.08603	34.8
73.06520	3.1
81.07011	2.7
83.08597	2.4
85.10158	16.1
85.96054	1.4
87.04423	1.9
88.07591	11.1
89.05997	100.0
89.06555	3.2
92.08634	2.5
97.10129	1.7
98.95549	1.4
99.11678	1.7
102.09145	8.8
103.39127	1.5
107.07037	5.6
117.09126	1.4
119.16242	1.4
133.08556	35.4
175.14177	1.5
177.11185	11.5
221.13925	1.7
227.12708	1.6
256.26276	17.0
283.26126	8.0
284.29318	6.4
285.27863	3.1
297.64069	1.5
311.29324	20.9
327.20013	18.6
329.30386	3.0
422.19873	1.5
431.39322	1.5
450.22641	1.7
523.41791	23.8
540.44617	4.4
540.53156	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22614	0.8
55.01833	0.8
55.05484	1.2
56.96538	4.6
57.03410	1.2
61.02878	2.0
63.40170	0.9
67.05463	2.5
69.03370	1.1
69.07019	1.9
73.02878	1.4
79.05447	2.5
81.03358	5.1
81.06999	5.2
85.02845	2.3
85.06490	1.2
91.05411	2.4
93.07020	7.7
95.08560	4.5
97.83451	1.1
105.06972	2.6
107.08548	2.4
111.07997	1.0
119.08518	4.6
121.10075	1.6
129.06917	1.8
131.08568	1.8
133.10089	1.7
135.11589	1.7
163.03816	1.1
175.14641	1.2
203.05853	1.1
267.08835	5.3
269.10422	2.2
285.09851	5.7
339.14313	1.3
399.00394	1.4
411.12524	1.8
420.16022	2.4
541.27307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77787	1.9
52.53854	1.8
52.55903	1.7
55.01860	2.3
55.05492	25.4
57.03429	2.5
57.07041	8.4
58.18581	1.7
58.47640	1.7
59.04961	2.0
67.05486	21.8
69.03413	8.1
69.07045	31.4
71.04948	8.7
79.05458	23.9
81.03374	8.8
81.07026	76.5
82.07333	2.3
83.04953	22.0
83.08580	16.8
83.55651	1.9
85.02844	3.5
85.06506	9.4
91.05439	29.2
93.07008	77.8
94.50164	2.2
95.04916	9.7
95.08569	78.3
96.08875	5.0
97.02868	3.4
97.06480	8.8
97.10112	3.5
99.08058	14.5
102.61636	1.9
103.05357	2.8
105.06993	70.2
107.08559	92.7
108.34229	1.9
109.06492	16.0
109.10117	44.7
110.10436	2.3
111.04399	4.1
111.08041	15.8
117.06994	15.5
119.08537	100.0
120.08913	2.1
121.06466	9.3
121.09264	4.2
121.10098	59.7
123.07991	12.5
123.11661	27.3
124.11972	3.5
125.09599	8.5
129.06947	8.7
131.04890	3.3
131.08531	53.4
133.10086	77.8
135.07985	7.9
135.11658	31.4
137.05939	1.9
137.09555	2.2
137.13255	4.1
139.11137	3.0
143.08505	21.0
145.10071	70.9
146.10567	2.2
147.11635	64.7
149.09506	2.7
149.13194	22.5
151.11115	4.0
155.08479	4.4
157.10083	32.8
158.10904	4.8
159.11632	47.4
161.09596	3.3
161.13210	26.5
163.11145	3.6
163.14777	19.8
165.12697	3.4
169.10043	10.8
170.10872	2.7
171.11594	24.2
173.12061	2.3
173.13232	37.9
175.11098	3.1
175.14771	27.2
177.12665	2.2
177.16315	10.0
181.12321	1.9
183.11639	10.2
185.13162	22.8
187.14761	52.3
189.16365	15.0
191.14214	28.8
195.11642	3.2
197.13150	4.9
199.14819	18.3
201.16336	46.4
203.14276	14.5
203.17874	4.9
205.15845	18.7
209.13235	4.1
211.14735	10.6
213.16312	14.6
215.17818	3.4
217.15839	11.4
217.19102	2.4
219.17400	8.5
221.15318	8.4
225.16336	3.0
227.17944	2.9
229.15836	5.0
231.17389	3.4
243.17297	2.7
277.19269	2.4
293.22513	3.0
306.24918	4.8
307.26010	4.8
310.28250	2.3
323.25372	2.6
324.25983	11.8
325.26050	4.0
365.28244	10.9
367.30161	2.5
386.18433	3.5
395.32916	4.2
402.83752	2.5
405.31296	12.5
407.32660	2.9
411.28665	16.4
423.32547	27.6
425.33865	9.9
433.30801	8.0
441.33102	4.8
451.31772	13.1
459.34430	8.1
469.33072	40.1
477.35599	4.1
487.33994	39.7
505.35159	45.6
540.28107	29.7
541.29730	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	540.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05497	14.5
57.03424	2.2
57.07055	7.2
67.05485	23.4
69.03407	3.9
69.06674	1.7
69.07044	41.9
69.57845	0.8
71.04962	11.9
71.08595	0.9
73.02905	1.1
73.06505	0.9
79.05455	11.4
81.03374	1.2
81.07027	100.0
82.07391	1.2
83.04950	2.1
83.08583	12.0
85.02877	6.1
85.06512	8.7
91.05441	7.9
92.05797	1.3
93.07004	41.0
94.07359	1.6
95.04935	6.2
95.08570	83.3
96.08904	1.2
97.02818	1.0
97.06499	8.1
97.10129	4.5
99.04380	1.0
99.08067	3.7
105.06993	14.9
107.04941	1.4
107.08558	38.4
108.08929	1.0
109.02842	1.2
109.06497	5.4
109.10121	42.1
111.08041	33.4
111.11691	5.1
117.06973	1.2
119.08544	9.3
121.06496	1.4
121.10104	23.9
122.03598	1.9
122.08060	1.0
122.10471	1.3
123.08006	2.1
123.11663	30.8
125.09614	8.0
127.11107	1.4
131.08531	1.7
133.10092	12.7
135.08020	1.2
135.11664	19.3
137.05925	25.8
137.09578	1.5
137.13206	27.5
138.06268	7.1
139.11118	4.4
145.10054	6.5
147.11636	14.1
149.13211	15.4
151.07513	1.1
151.11130	8.4
151.12204	1.0
153.12689	26.3
155.10579	1.2
159.11652	5.6
161.13197	6.1
162.45587	0.9
163.11177	3.7
163.14719	6.8
165.05415	5.8
165.12704	6.1
167.06970	1.1
167.14319	2.3
169.12170	1.5
172.79245	0.9
173.13243	4.4
175.14783	2.3
176.32056	1.0
177.09096	1.1
177.16348	1.8
181.12173	24.1
181.13664	1.4
189.16379	1.3
191.17946	1.3
201.14684	1.3
201.16313	1.3
202.04060	1.0
203.17885	5.2
209.15340	1.3
209.18977	1.4
215.17914	1.8
219.21053	2.1
225.18404	1.4
237.18533	1.7
237.22063	4.2
241.80815	1.0
245.22560	5.1
251.13690	0.9
255.15875	2.3
271.24152	5.4
277.25211	8.2
289.25177	28.7
295.26166	4.0
307.26196	50.8
323.25699	1.3
324.25925	1.1
325.27246	32.7
343.28296	6.4
362.23859	3.8
444.74167	1.0
539.27844	1.1
540.28375	13.9
541.29449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.7
55.05497	11.8
57.03407	1.7
57.07054	5.5
59.04968	1.2
65.03916	1.2
67.05479	19.9
69.03397	4.7
69.07044	47.5
71.04969	8.1
71.08598	1.7
79.05470	9.9
81.03392	1.5
81.07027	100.0
82.07372	1.6
83.04951	1.9
83.08592	12.0
84.95377	0.9
85.02859	4.5
85.06497	7.9
89.06012	1.1
91.05457	12.1
93.06427	1.7
93.07011	50.2
95.04935	5.2
95.08576	47.6
97.02856	1.1
97.06499	11.3
97.10133	4.0
99.04424	1.5
99.08050	4.9
101.05930	1.3
105.06993	18.8
107.04945	1.5
107.08559	48.0
109.02878	1.8
109.06469	7.8
109.10122	48.0
111.08047	37.7
111.11681	4.8
117.03373	0.9
119.08531	11.5
121.06490	1.5
121.10101	24.7
122.03606	1.0
123.08037	2.1
123.11663	30.5
125.09614	10.3
131.08524	3.7
133.10114	12.8
135.04391	1.2
135.08006	1.0
135.11665	23.2
137.05945	15.5
137.09570	1.4
137.13203	12.8
138.06264	4.3
139.11128	5.8
141.06996	1.2
145.02850	5.2
145.10078	5.2
147.11642	10.0
149.05981	1.1
149.13245	9.3
151.07515	4.7
151.11157	16.2
152.07837	1.5
153.12698	28.1
157.39949	1.0
159.08015	1.1
159.11633	5.8
161.05901	4.1
161.13216	7.3
163.03862	3.7
163.07449	1.5
163.11099	2.3
163.14781	6.5
165.12657	6.2
167.06979	1.4
169.12184	3.8
173.13158	2.2
175.07497	1.9
175.14804	5.6
176.07837	1.5
177.05431	6.8
177.09059	5.1
177.12711	1.4
177.16360	3.7
178.97403	0.9
181.12183	26.0
187.14848	1.0
189.08965	1.1
189.16307	2.0
191.14249	1.0
195.10175	1.4
196.10342	1.3
200.76895	1.0
201.16341	1.8
203.17928	4.2
209.48228	0.9
215.17879	1.3
219.20976	1.6
239.10637	1.1
245.22583	5.5
266.08801	1.3
271.24020	6.6
277.25143	5.0
289.25177	37.1
298.11304	1.7
307.26205	60.6
325.27246	24.0
338.14417	1.3
368.15582	1.6
487.00851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.9
54.14942	0.8
54.77522	0.8
55.01851	3.9
55.05490	16.4
57.03411	0.9
57.07060	10.7
59.04967	1.4
61.95936	0.8
67.05482	22.2
69.03400	7.7
69.07041	58.6
69.07420	1.9
71.04959	6.6
71.08582	1.6
73.06508	1.3
79.05461	14.7
81.03397	1.3
81.07024	100.0
82.07383	1.3
83.04945	3.9
83.08595	15.6
85.02880	4.9
85.06507	12.8
91.05440	9.9
93.07001	45.3
95.04922	5.3
95.08566	56.7
97.02862	2.3
97.06501	10.0
97.10125	3.9
98.97555	1.2
99.04452	1.4
99.08066	5.8
101.05997	1.3
105.07003	13.3
107.04923	5.5
107.08556	41.6
108.08915	1.0
109.06491	4.8
109.10121	42.1
110.49711	0.9
111.08040	32.6
111.11690	9.1
119.08535	12.2
119.88622	1.0
121.06413	1.6
121.10094	21.9
123.04424	1.6
123.07996	3.9
123.11652	31.3
124.05156	1.7
125.09580	8.4
131.08530	4.1
131.76967	1.1
133.06450	1.3
133.10071	12.8
135.11641	24.4
137.09566	1.0
137.13203	20.3
139.11151	6.3
141.12811	1.0
144.09248	1.1
145.10095	5.1
147.11627	11.0
149.13211	10.8
151.11101	8.7
153.12698	26.6
155.14267	6.2
159.11595	9.2
161.13164	7.2
163.03842	1.2
163.11140	2.4
163.14781	6.5
165.12709	5.3
167.06972	78.2
169.12184	1.9
173.13220	1.6
175.14772	4.2
177.12689	4.7
177.16313	4.0
181.12177	11.6
187.14763	1.9
189.16289	4.2
193.08534	1.2
193.15872	1.3
201.16316	1.3
203.17909	1.6
211.09576	1.6
215.17932	1.9
219.21028	2.1
237.22092	1.8
245.22604	4.4
259.23880	1.1
271.24176	6.4
277.25214	7.3
286.18961	1.4
289.25140	34.1
295.26163	2.0
307.26184	47.8
324.25934	1.1
325.23419	1.2
325.27231	34.4
343.28256	10.6
532.02264	1.1
540.28442	2.0
541.21527	1.6
541.29456	6.4
544.03192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.2
57.03416	5.8
67.05494	4.3
69.03401	6.7
69.07040	4.7
71.04955	6.2
73.02895	5.4
79.05444	3.2
81.07015	14.2
83.04961	4.9
83.08592	4.1
85.02882	14.4
85.06512	3.2
91.05450	18.8
93.07016	15.9
95.04926	4.8
95.08583	10.7
96.08886	2.7
97.02843	10.3
97.06528	3.4
98.03212	2.7
99.04375	3.2
105.06998	12.7
107.04902	5.9
107.08547	12.3
109.10118	6.6
109.75060	2.6
111.08018	2.8
119.04905	17.5
119.08511	4.3
121.06429	3.1
121.10103	11.6
123.34784	2.6
127.03907	12.4
129.06934	10.4
131.04922	3.1
131.08530	4.4
133.10097	6.2
134.10437	3.5
135.08029	3.7
135.11658	4.5
137.05954	65.8
141.05504	3.9
145.02695	2.8
145.06448	3.0
147.04366	17.5
149.05971	13.8
149.13190	2.9
151.07513	77.5
151.11125	10.3
152.11522	4.1
157.06447	10.3
160.20045	2.8
161.05925	10.7
163.03877	13.7
163.07440	12.8
165.72510	2.4
167.08456	10.4
167.14236	4.9
169.04892	4.6
174.06732	11.1
175.07487	3.3
177.05373	2.9
177.09067	3.5
179.43153	2.4
189.09041	29.9
190.80182	2.7
195.08032	16.3
209.06088	2.8
209.15298	12.2
210.15620	6.2
211.15891	3.5
212.08287	3.0
219.10146	26.9
219.17458	3.9
221.06000	4.5
221.09520	4.3
223.07451	10.7
225.09004	3.5
227.10606	23.5
238.06380	4.1
239.10518	2.7
249.09038	5.1
253.08597	11.5
253.12091	11.8
255.10048	25.3
269.08124	3.5
285.11148	16.0
287.12790	29.9
313.14310	26.8
321.52072	3.0
331.15225	100.0
349.09116	12.7
451.44998	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	540.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01851	0.9
57.03405	2.2
61.02893	2.4
65.03886	0.5
67.05480	0.9
67.34822	0.5
69.03410	4.4
69.07076	0.6
71.04964	0.7
73.02885	0.8
73.75883	0.4
79.05468	1.0
81.03378	2.4
81.07012	4.4
83.01301	0.5
85.02877	17.8
91.05444	14.5
93.06985	1.0
94.04136	0.8
95.04948	4.6
95.08568	0.9
97.02840	3.7
97.06469	0.6
99.04390	0.8
102.21124	0.5
103.05437	2.1
105.07026	3.7
107.04935	3.7
107.08551	1.1
109.02813	2.1
109.06478	4.1
111.04386	0.8
111.08059	0.7
113.72459	0.5
115.05352	0.6
117.07012	1.1
119.04897	14.2
121.06448	5.3
121.10117	0.7
122.03590	3.0
123.08022	1.2
127.03872	2.0
128.06134	0.5
129.06952	9.5
131.04887	4.3
131.08540	1.0
133.06435	2.2
135.04402	0.8
135.08006	5.1
136.05151	2.0
137.05930	67.1
138.06303	0.7
143.04892	1.0
145.04916	0.9
145.06438	2.7
146.03564	0.5
146.07256	0.6
147.04395	1.0
147.08006	0.8
149.05917	9.6
151.03868	2.2
151.07491	76.4
157.06430	10.1
158.07272	0.7
160.05156	0.5
161.05905	11.5
161.09564	2.7
163.07468	17.3
165.06944	3.1
165.09100	3.4
167.07071	0.8
167.08459	9.1
169.06310	0.7
174.06638	4.5
175.07491	6.1
176.07852	0.5
177.05434	0.8
177.06808	0.6
177.09019	6.9
178.07690	1.2
179.08498	0.8
181.06442	0.9
181.10069	0.8
182.07092	0.9
187.07471	1.1
189.09032	24.7
193.06445	4.7
193.08578	0.5
193.10109	6.2
194.07227	0.9
195.07999	20.3
197.05862	0.7
197.09592	0.8
202.07600	0.6
203.08502	1.9
206.07143	0.8
207.08124	1.0
207.10098	3.6
209.09486	4.0
210.06625	3.5
211.07506	1.9
212.08308	4.1
213.09015	0.8
219.07967	0.6
220.08669	0.9
221.05945	6.6
221.09502	8.9
221.11549	0.8
222.06589	0.7
223.07410	7.4
224.08257	2.5
225.05424	0.9
225.09026	8.0
227.10582	26.8
231.07979	0.6
235.07533	0.5
237.09013	2.4
238.06129	2.6
238.09744	0.6
239.06926	1.0
239.10490	0.7
240.07640	2.4
241.08504	0.8
241.12148	2.2
249.08975	4.8
252.07736	1.1
253.08505	11.2
253.12140	14.1
254.09326	1.1
255.10059	23.8
256.10666	0.7
266.09369	0.5
267.10059	5.2
269.07993	4.2
269.11636	2.0
270.08795	0.8
272.10379	3.3
281.11676	5.3
284.10385	2.3
285.11096	16.3
287.12659	33.1
297.11160	0.6
299.12613	2.6
301.14117	0.7
313.14246	21.3
331.15268	100.0
332.15359	1.1
343.15195	3.7
384.85513	0.6
439.34546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.3
53.03930	2.6
55.01862	1.1
55.05490	4.2
57.03421	5.6
57.07058	0.5
59.04976	0.3
60.05821	0.3
61.02902	0.5
61.52216	0.2
67.05476	2.9
67.05756	0.2
69.03401	11.3
69.03769	0.4
69.07038	2.9
71.04979	1.6
73.02866	0.4
74.36885	0.3
75.04446	6.0
79.05002	0.7
79.05463	19.0
81.03387	10.5
81.03821	0.6
81.07024	10.0
81.21179	0.3
82.07372	0.5
83.04954	2.0
83.08609	0.4
85.02876	7.6
85.06508	0.6
87.04465	0.6
87.55474	0.3
91.05448	12.8
93.07007	100.0
94.07338	0.5
95.04923	6.1
95.08570	5.9
97.02859	7.6
97.06506	1.6
99.04419	2.6
99.08102	0.3
100.22563	0.3
103.05444	1.9
105.04485	0.7
105.06989	9.3
106.07793	0.3
107.04924	2.6
107.08562	14.9
109.02841	3.8
109.06479	1.5
109.10117	2.2
111.04407	1.3
111.08051	6.9
115.05437	0.5
116.10727	0.3
117.03336	1.2
117.06982	0.6
119.08541	12.5
121.06470	7.2
121.10100	77.2
122.10399	0.3
123.08055	3.6
123.11645	2.0
125.05929	0.6
127.03033	0.4
127.03846	3.2
129.07005	1.2
131.04858	2.4
131.08513	5.7
133.07553	0.6
133.10078	1.7
135.04353	0.5
135.08020	1.3
135.11661	0.7
137.05983	1.3
139.10176	0.5
139.11072	3.3
143.08551	0.3
145.02794	4.3
145.04929	1.3
145.06459	0.4
145.10060	1.7
147.11658	0.7
149.05978	0.4
149.09575	12.6
149.13228	0.6
151.07452	0.4
151.11041	0.3
153.12714	0.3
157.10164	0.4
159.11581	0.4
160.05219	0.4
161.05905	0.3
163.03838	1.9
163.07510	2.8
163.11147	0.6
167.10626	15.6
173.09628	0.3
175.07454	0.7
177.05414	4.7
189.05402	0.4
201.09116	0.4
229.08484	0.3
265.14316	0.3
269.11804	0.3
269.15485	0.3
293.13733	4.0
307.26102	0.5
311.14749	9.7
325.14389	2.4
325.27191	1.3
327.13055	0.4
329.15808	1.4
339.13257	1.6
343.15216	0.6
367.12668	0.6
412.15540	0.4
469.18246	0.4
487.19443	2.1
508.20255	1.4
539.27411	0.6
540.27863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15211	0.1
54.10900	0.1
55.01852	0.3
57.03413	0.4
61.02893	0.2
67.05473	0.4
67.10925	0.1
69.03391	0.8
69.07037	0.4
71.04974	0.2
72.34015	0.1
72.52012	0.1
79.05460	0.7
81.03371	0.6
81.07035	1.0
85.02867	3.2
85.06532	0.2
87.30798	0.1
88.16751	0.1
91.05437	3.5
93.06984	0.8
94.04090	0.2
95.04904	1.0
95.08566	1.0
97.02826	0.7
103.05423	6.9
105.07015	1.3
107.04925	1.3
107.08556	0.6
109.02843	0.2
109.06474	0.9
109.10123	0.3
115.05400	0.8
115.72043	0.1
116.06177	0.2
116.71581	0.1
117.06969	2.6
119.04893	2.7
119.08529	0.3
121.06466	1.6
121.10050	0.2
122.03619	1.6
123.07999	0.9
123.11642	0.2
127.03905	0.3
128.06175	0.8
129.06989	1.2
131.04877	18.5
131.08556	0.3
131.69203	0.1
133.06438	0.6
133.10052	0.2
134.07257	0.1
135.07956	1.3
135.11606	0.3
136.05170	0.2
137.05927	27.3
138.06256	0.2
143.08501	0.3
145.06435	1.2
146.03578	0.2
147.04364	0.3
147.08002	0.3
149.05945	1.9
149.09624	0.3
151.03868	0.2
151.07492	14.6
157.06409	1.5
159.08073	0.2
161.05907	2.9
161.09538	0.3
162.06680	2.4
163.03842	0.5
163.07475	32.0
164.07961	0.3
165.06897	0.6
165.08971	0.7
167.07133	0.2
167.08437	1.2
171.07977	1.0
174.06715	0.9
175.07474	3.8
175.14839	0.2
177.09035	100.0
177.26228	0.2
178.07770	0.2
178.09355	1.2
181.06377	0.2
181.09985	0.2
182.07271	0.2
187.07515	0.2
189.05370	0.3
189.08998	3.9
193.06389	0.3
193.10042	0.6
193.15822	0.3
194.07179	0.3
195.07976	2.7
195.10066	2.1
197.09483	0.2
203.10573	0.7
205.06435	0.3
207.08107	0.2
207.10104	0.6
209.09682	0.2
210.06638	0.3
211.07422	0.3
211.16681	0.2
212.08186	0.3
219.10025	0.2
220.47429	0.2
221.05931	1.1
221.09563	1.5
221.11609	10.9
222.06583	0.3
223.07437	1.5
224.08220	0.3
225.08955	1.2
227.10573	4.1
234.06622	0.2
235.07346	0.3
237.09018	0.4
238.06104	0.2
239.10527	0.3
240.07578	0.2
241.12067	0.2
249.08934	0.7
250.06252	0.2
251.06918	0.2
252.07616	0.2
253.08475	2.0
253.12105	2.0
255.10031	3.6
261.08920	0.3
265.08514	1.3
266.09167	0.2
267.10010	0.6
269.07944	0.7
269.11548	0.2
272.10260	0.2
281.11557	0.6
284.10321	0.2
285.11136	1.9
287.09863	0.2
287.12677	4.3
293.11609	0.3
293.99594	0.2
297.11130	0.3
299.12708	0.8
311.12601	2.1
313.14236	3.0
324.25955	0.2
331.15271	12.0
343.15146	1.8
443.64545	0.2
473.19534	0.2
557.09296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80958	0.4
55.01846	0.7
57.03408	0.9
61.02894	2.4
67.05486	0.7
69.03403	5.5
70.43436	0.4
71.04963	0.4
72.01103	0.4
79.05456	1.7
81.03370	1.5
81.07034	3.0
84.08113	0.4
85.02873	14.3
86.09634	0.5
91.03931	0.5
91.05442	12.2
93.07015	0.7
94.04124	0.6
95.04911	4.2
95.08553	1.8
97.02847	2.8
99.04424	0.5
101.77769	0.4
103.05421	2.0
105.06982	3.0
107.04916	3.2
107.08575	0.7
109.02846	1.6
109.06492	2.8
109.10125	0.5
111.04437	0.4
115.05431	0.6
117.06970	0.7
119.04895	12.8
119.08538	0.5
121.06459	3.6
121.10114	0.5
122.03616	2.1
123.07999	0.9
123.11675	0.4
125.05922	0.4
127.03898	1.4
128.06155	1.9
129.06960	8.5
131.04881	4.3
131.08521	0.8
133.06444	1.6
135.08028	3.8
135.11659	0.4
136.05142	2.2
137.05925	56.9
143.04897	1.7
145.04962	0.6
145.06425	2.5
147.04404	0.8
149.05942	9.7
149.09537	0.5
151.03920	1.7
151.07489	61.1
157.06418	7.0
161.05902	10.5
161.09583	2.3
163.03859	1.4
163.06088	0.7
163.07472	16.4
165.06903	2.9
165.08984	3.1
166.07750	1.4
167.08492	8.0
169.06459	0.5
174.06688	5.0
175.07472	5.7
176.07971	0.7
177.05424	0.6
177.06844	0.5
177.09032	5.4
178.07727	2.2
179.08456	0.5
181.06432	0.6
181.10013	0.6
182.07179	0.7
187.07466	0.6
189.09033	20.0
192.09312	0.5
193.06502	3.2
193.08330	0.7
193.10039	4.7
194.07156	1.6
195.07977	15.5
196.08830	0.6
197.05908	1.7
197.09543	0.8
202.07532	0.6
203.08546	0.4
206.07153	0.7
207.08139	1.1
207.10075	2.6
209.05896	0.5
209.09552	2.9
210.06717	2.7
211.07483	0.8
212.08339	2.9
213.09039	0.5
219.10109	0.7
220.08607	0.5
221.05983	6.0
221.09497	7.3
222.06696	0.5
223.07423	7.9
223.10938	0.6
224.08250	2.8
225.08989	6.7
227.07057	1.2
227.10576	24.4
234.06577	0.6
235.07465	0.6
237.09048	2.0
238.06096	1.6
238.09724	0.7
239.06905	0.9
239.10571	0.8
240.07784	2.9
241.08449	0.7
241.12131	1.6
249.09018	4.4
251.07039	0.8
252.07742	0.8
253.08501	9.5
253.12135	11.5
254.09157	0.6
255.10030	20.3
265.08444	0.7
267.10034	3.8
269.08017	3.4
269.11240	1.2
270.08777	0.7
272.10272	1.6
281.11612	4.2
284.10394	2.4
285.11093	13.0
287.12643	30.4
297.11072	0.7
299.12784	1.5
301.14087	0.6
305.24472	0.5
311.12546	0.9
313.14209	19.3
331.15268	100.0
332.15692	0.7
343.15256	3.4
355.15314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47412	0.1
53.03916	0.2
55.01848	0.2
57.03394	0.7
61.02881	1.0
65.64926	0.1
68.18319	0.1
68.38628	0.1
69.03414	1.8
71.04977	0.2
73.02878	0.4
75.44015	0.2
79.83822	0.2
81.03362	0.7
83.01244	0.2
85.02879	6.8
87.04465	0.2
91.03912	0.2
91.05452	1.3
97.02859	2.2
99.04382	0.3
101.50436	0.1
103.05430	0.2
109.02831	0.7
115.03862	0.2
115.05389	1.2
117.06975	0.2
127.03857	0.8
128.06174	0.9
129.06964	7.6
131.04825	1.1
131.08525	10.1
137.05925	1.9
141.06953	6.7
143.04887	0.2
143.08508	0.8
144.05658	0.9
145.04915	0.7
145.06445	0.9
146.07211	0.6
148.05170	0.3
149.06003	0.2
151.07520	0.3
157.06441	8.1
158.07233	3.7
159.04388	0.3
159.07996	8.8
160.05101	1.3
161.05913	0.3
161.09512	1.3
163.03772	0.2
163.07486	0.6
168.05687	0.3
169.06419	4.8
169.07620	0.2
170.07202	2.5
171.07974	0.3
173.05891	0.6
174.06703	19.4
175.07486	3.7
180.08604	1.0
186.06712	4.5
187.07445	0.7
188.08199	0.9
189.09041	38.2
190.09465	0.3
191.06892	0.3
191.10585	3.1
201.09038	14.0
207.10147	0.7
219.10094	100.0
220.10419	1.1
237.11105	1.5
254.93533	0.2
317.05734	0.1
381.15283	0.3
541.14423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89031	0.3
53.03921	2.8
55.01847	1.9
55.05499	5.2
57.03415	6.5
57.07045	0.5
57.21693	0.4
59.04975	0.5
59.53389	0.3
65.03921	0.7
65.73148	0.3
67.05477	7.6
67.90143	0.4
69.03405	13.9
69.07033	6.4
70.55310	0.4
71.04984	3.0
71.35953	0.4
72.88544	0.3
73.02876	0.5
75.04452	5.0
75.27481	0.4
79.05003	0.8
79.05460	19.2
81.03384	15.8
81.07027	24.5
82.07334	0.7
83.04939	2.3
83.08584	2.1
85.02875	7.3
85.06518	2.0
91.05440	19.1
93.07007	100.0
94.07341	0.5
94.80101	0.4
95.04923	6.3
95.08571	10.8
96.08902	0.6
97.02856	9.1
97.06503	3.5
97.10125	0.5
99.04411	1.8
99.08051	1.7
101.68641	0.5
103.05432	2.5
105.04486	0.6
105.06994	15.2
107.04906	0.8
107.08556	17.0
109.02848	8.0
109.06489	2.8
109.10117	3.9
111.04414	0.9
111.08041	6.5
113.05989	0.4
116.06133	0.6
116.51435	0.4
117.03379	0.7
117.06960	1.5
119.08532	17.7
121.06460	3.5
121.10096	77.9
122.10552	0.5
123.08025	2.8
123.11684	6.0
125.05937	0.8
125.09530	0.6
127.03869	6.1
129.06938	1.9
131.04889	2.9
131.08536	6.0
133.07542	0.6
133.10078	3.0
135.08029	1.0
135.11656	2.5
136.12065	0.4
137.05942	2.5
137.09618	0.6
137.13242	1.7
139.11101	3.3
145.02806	2.0
145.04951	2.0
145.10074	2.1
147.11630	14.4
149.09566	10.8
149.13206	0.7
151.11134	0.9
153.12694	0.5
157.08601	0.4
157.10094	1.8
159.11700	0.6
161.13203	0.8
163.07521	1.8
165.12659	6.1
167.10606	14.0
167.11926	0.8
175.11090	0.6
177.05409	3.6
187.07283	0.5
189.05388	0.6
193.12215	0.8
194.63286	0.4
201.09065	0.6
202.69942	0.6
229.12260	0.5
229.14340	1.0
267.15814	7.1
275.12820	0.5
277.25143	0.4
285.16760	3.5
289.25122	0.7
293.13675	3.8
306.25061	0.5
307.26300	2.4
311.14746	6.8
313.16232	0.6
324.26093	0.7
325.14404	0.6
325.27191	0.6
329.15833	0.7
337.16592	0.8
343.15393	0.5
360.22104	0.6
361.23199	0.8
362.23627	0.7
393.18848	2.0
411.20010	7.5
429.21030	5.6
475.15170	0.5
487.19452	0.9
539.27844	4.1
540.28534	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	540.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08278	0.2
54.80621	0.2
57.03404	0.5
66.02457	0.2
67.05467	0.3
69.03407	0.3
80.91416	0.2
81.03376	0.3
85.02870	2.6
91.05417	1.2
93.06957	0.2
97.02824	0.9
105.06961	0.2
109.02828	0.3
115.05389	1.0
117.06975	0.4
119.08603	0.3
121.06413	0.3
121.10079	0.2
124.29604	0.2
128.06161	1.1
129.06955	8.4
131.04849	1.1
131.08521	9.4
133.10101	0.3
137.05995	1.8
141.06941	6.3
142.09988	0.2
143.08505	0.5
144.05661	1.2
145.06427	1.0
146.07224	0.4
148.05174	0.2
149.05862	0.2
151.07433	0.4
157.06432	7.2
158.07205	3.5
159.04335	0.4
159.08009	8.7
159.09329	0.3
160.05145	1.2
161.09569	1.1
162.06734	0.3
163.07440	1.2
169.06409	4.8
169.07698	0.4
170.07208	1.8
171.08011	0.4
173.05849	0.3
174.06696	20.1
175.07478	4.6
186.06700	4.8
187.07474	0.3
188.08214	1.0
189.09033	39.3
191.06989	0.4
191.10608	3.1
201.09032	14.3
203.10582	0.9
207.10112	0.4
209.08054	0.3
219.10088	100.0
220.10379	0.3
225.29832	0.2
233.19008	0.2
237.11140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33903	1.9
54.80941	2.3
55.05488	4.9
57.03400	4.9
67.05455	2.5
69.03383	3.7
81.07025	8.8
85.02879	10.0
85.06532	2.3
91.05437	17.0
92.09376	5.1
95.04984	3.1
95.08572	3.9
97.02834	4.6
105.06956	3.7
107.08541	4.7
109.06481	2.8
109.10132	3.0
119.04897	15.9
119.05768	2.4
119.08527	3.2
121.06424	3.5
121.10100	4.8
123.11694	2.3
127.03880	10.2
129.06955	14.5
131.08466	2.4
133.10046	9.2
133.57922	2.3
134.05437	2.6
135.08029	4.5
137.05925	78.0
141.06955	2.4
145.02757	3.0
147.04390	4.7
147.08026	2.8
149.05908	11.5
151.03879	2.9
151.07504	71.3
151.11102	3.5
157.06396	9.5
161.05933	12.1
163.03860	5.5
163.07506	18.2
165.06880	3.4
165.09087	3.0
167.08508	4.9
169.06429	2.7
174.06670	13.6
175.07568	9.3
177.09073	2.5
189.09021	31.4
193.10091	3.3
195.07988	14.3
206.22534	2.3
207.10039	3.2
209.09508	2.4
209.15250	7.9
210.15697	5.7
219.10078	21.6
221.05823	2.8
221.09569	9.4
223.07492	11.4
224.08089	2.4
225.08995	2.8
227.10571	24.3
249.08981	3.2
253.08498	15.1
253.12181	10.2
255.09979	26.3
267.09967	4.4
269.08057	4.1
281.11725	3.4
285.11096	18.8
287.12695	43.6
313.14307	26.6
331.15298	100.0
353.07245	2.4
469.21750	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08278	0.2
54.80621	0.2
57.03404	0.5
66.02457	0.2
67.05467	0.3
69.03407	0.3
80.91416	0.2
81.03376	0.3
85.02870	2.6
91.05417	1.2
93.06957	0.2
97.02824	0.9
105.06961	0.2
109.02828	0.3
115.05389	1.0
117.06975	0.4
119.08603	0.3
121.06413	0.3
121.10079	0.2
124.29604	0.2
128.06161	1.1
129.06955	8.4
131.04849	1.1
131.08521	9.4
133.10101	0.3
137.05995	1.8
141.06941	6.3
142.09988	0.2
143.08505	0.5
144.05661	1.2
145.06427	1.0
146.07224	0.4
148.05174	0.2
149.05862	0.2
151.07433	0.4
157.06432	7.2
158.07205	3.5
159.04335	0.4
159.08009	8.7
159.09329	0.3
160.05145	1.2
161.09569	1.1
162.06734	0.3
163.07440	1.2
169.06409	4.8
169.07698	0.4
170.07208	1.8
171.08011	0.4
173.05849	0.3
174.06696	20.1
175.07478	4.6
186.06700	4.8
187.07474	0.3
188.08214	1.0
189.09033	39.3
191.06989	0.4
191.10608	3.1
201.09032	14.3
203.10582	0.9
207.10112	0.4
209.08054	0.3
219.10088	100.0
220.10379	0.3
225.29832	0.2
233.19008	0.2
237.11140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83085	0.5
53.03921	3.2
54.14902	0.6
55.01862	5.8
61.09200	0.7
65.03919	6.3
67.05457	0.8
69.03402	1.4
75.04454	6.8
78.04669	3.6
79.05453	4.2
79.96173	0.6
83.71542	0.6
84.74687	0.7
85.02881	9.2
89.03883	1.7
89.05984	0.9
91.05444	25.2
91.20119	0.7
93.03367	17.1
93.07004	12.4
95.04929	10.6
97.02849	0.9
97.06512	5.6
99.50102	0.6
103.05434	13.5
105.04482	1.5
105.07008	1.3
106.04137	60.3
107.04941	5.2
109.06496	1.0
115.05429	1.2
117.03335	1.0
118.04114	1.0
119.04842	1.1
121.06460	58.9
122.07286	0.8
123.04366	1.0
123.08010	1.4
124.05114	0.9
125.05958	14.3
128.06129	0.7
129.06952	9.9
131.04890	5.6
131.08521	10.9
133.06448	1.1
134.03606	9.7
135.04381	4.2
135.07941	0.9
137.05937	10.6
138.06720	3.0
139.07491	4.8
141.06978	8.5
142.21916	0.7
143.04953	0.9
145.02800	1.5
145.06442	0.8
146.32759	0.7
147.04343	1.6
148.05145	4.8
149.05930	84.8
151.07515	5.1
152.08234	1.2
153.05412	3.3
153.09058	22.4
156.47998	0.8
157.06421	8.9
158.07219	4.0
159.08022	9.0
161.05922	0.9
161.09612	0.9
162.01180	0.9
163.03830	3.1
163.07462	4.6
165.05453	1.2
166.06200	1.4
167.07011	5.7
169.06425	5.2
170.07214	1.6
174.06700	19.4
175.07494	3.8
177.05411	39.2
180.07762	0.8
181.08540	28.2
186.06676	6.7
189.09038	41.5
191.06967	4.9
191.10626	4.9
195.06572	0.7
200.99059	0.7
201.09055	16.9
203.10561	1.2
207.10153	0.9
209.08022	94.1
219.10095	100.0
223.04158	8.6
322.22961	0.8
400.24667	0.8
402.59012	0.9
405.40689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.3
53.03922	2.9
53.05919	0.4
54.29247	0.4
55.01854	4.1
55.05484	0.4
57.03407	0.7
61.02905	0.4
65.03639	0.4
65.03917	4.9
66.15396	0.3
67.05470	1.6
69.03397	1.0
69.07039	0.6
71.04959	0.8
73.02833	0.5
75.04449	8.8
78.04675	4.2
79.05459	4.6
81.03381	0.9
81.07011	2.3
83.04941	0.8
85.02856	6.4
85.06525	0.4
89.03869	2.4
89.05975	1.0
91.05441	21.7
93.03362	18.8
93.06428	0.6
93.07005	13.0
95.04936	10.6
95.08577	2.1
97.02829	0.5
97.06491	6.3
103.05421	11.7
105.03339	0.8
105.04485	1.8
105.07001	3.0
106.04133	57.6
107.04900	4.4
107.08535	1.0
108.05687	1.0
109.06471	2.2
109.10097	3.9
110.03657	0.5
111.04401	2.4
115.05456	0.5
117.03327	2.2
117.71306	0.4
118.04150	0.9
119.04885	3.3
119.08562	1.4
121.06453	60.2
122.03582	0.5
122.07242	1.0
123.04368	2.7
123.08017	2.4
123.11699	0.6
124.05148	1.7
125.05936	14.0
125.09565	0.4
126.06736	0.4
131.04875	4.0
131.05908	0.6
133.06462	2.0
133.10057	0.7
134.03575	9.4
135.04356	2.8
135.07990	1.6
135.11613	0.6
137.05927	11.2
137.09547	2.2
138.06705	3.8
139.07478	5.6
145.02800	2.8
147.04375	0.8
148.05130	6.4
148.79883	0.4
149.05923	88.7
151.03830	0.9
151.07487	5.6
151.11180	1.5
152.08246	2.1
153.05486	3.8
153.09050	21.9
157.27310	0.5
159.04369	0.7
161.05927	1.8
161.09608	2.8
162.01274	0.9
163.03831	2.3
163.07506	4.7
165.05426	1.0
165.09105	0.9
166.06163	3.2
167.06979	5.5
173.33679	0.4
176.04668	0.5
177.05400	34.1
180.07715	1.6
181.08522	28.4
189.09045	0.5
190.00688	0.8
191.07010	3.8
192.07791	0.4
195.06326	0.4
207.10098	1.8
208.01804	0.5
209.08008	100.0
211.16812	2.3
220.45319	0.4
223.04126	10.3
225.11115	0.6
259.13284	0.5
259.83511	0.5
385.18240	0.4
387.13947	0.5
387.88519	0.5
519.05444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.8
53.03929	1.9
55.01636	1.2
55.01854	17.5
55.05248	1.8
55.05496	47.7
57.03158	2.0
57.03420	48.9
57.07057	84.7
59.04970	4.1
64.99789	1.0
67.05480	31.8
69.06720	1.1
69.07041	17.2
70.88905	0.9
71.01317	1.4
71.04974	7.6
71.08607	49.3
71.65324	0.9
76.55376	0.9
78.75483	0.9
79.05459	33.7
81.03394	15.9
81.07024	47.9
83.01310	22.8
83.04948	24.8
83.08585	29.8
85.02862	7.6
85.06516	1.4
85.10152	24.4
89.05984	2.2
90.25579	1.0
91.05441	19.2
92.68201	1.0
93.07005	37.3
95.04929	10.5
95.08571	37.9
97.02839	3.9
97.06492	10.4
97.10111	8.0
97.53941	1.0
99.04396	2.4
103.05435	0.9
103.07569	1.5
105.06989	19.3
107.04914	11.3
107.08559	16.8
109.06479	11.0
109.10117	14.3
111.04443	1.9
111.08099	1.5
117.06992	11.0
119.08546	10.9
119.54568	1.0
121.06419	5.1
121.10114	9.6
123.04424	1.2
123.08009	13.9
123.11630	4.1
125.05915	2.5
125.09586	2.0
129.06955	1.7
130.07732	1.9
131.08487	4.2
133.10078	1.2
135.07997	1.7
135.11644	15.9
137.09529	2.2
145.10089	21.0
147.07970	2.2
149.09549	1.1
153.12656	5.5
155.08481	1.5
163.11125	32.4
173.09575	4.3
181.12170	4.2
189.76401	1.1
191.10583	2.5
209.11702	7.8
227.12637	5.8
235.08842	1.1
239.23676	4.7
241.03452	1.0
253.77228	1.3
266.92386	1.1
283.15280	93.0
284.15631	1.5
313.27240	100.0
339.58640	1.1
404.09769	1.3
418.29993	1.2
483.16959	1.1
514.78815	1.3
521.38177	55.3
523.53632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
54.16889	1.0
55.01861	0.9
55.05243	1.5
55.05496	40.9
56.96550	1.4
57.03429	9.7
59.04976	3.7
61.02898	4.4
67.05482	4.3
69.03404	15.2
69.07049	4.7
71.04967	4.8
73.02889	17.0
79.05444	3.8
81.03368	1.1
81.07027	10.0
83.04951	20.4
83.08592	30.7
85.02877	24.2
85.06528	2.2
87.04432	1.5
91.05452	5.7
93.06992	9.3
95.04939	29.9
95.08568	7.5
97.02853	19.5
97.06491	8.3
97.10139	5.8
98.97545	1.6
99.04403	10.7
105.07005	5.2
107.08562	19.8
109.02853	1.7
109.06483	8.4
109.10129	17.7
111.04413	1.5
111.08060	7.8
115.03889	6.0
115.07483	0.9
116.98591	1.1
119.04922	1.4
119.08558	5.1
121.10099	28.1
123.08009	1.4
123.11653	6.0
125.09562	7.7
127.03049	1.0
127.03866	7.0
127.17774	0.9
131.08527	4.8
133.04941	4.1
133.10068	13.6
134.99615	1.2
135.04338	1.1
135.08058	1.4
135.11560	1.3
139.11148	20.6
145.04919	4.5
145.10153	1.4
147.04364	5.0
147.11662	5.7
149.13213	5.9
151.11134	29.5
153.09068	8.5
158.10814	1.5
163.03828	3.6
163.06064	1.1
163.14743	2.2
167.06990	2.1
167.14255	37.5
173.13206	15.0
175.14731	1.6
191.14281	6.4
209.15305	100.0
219.01715	0.9
227.16403	9.7
239.02113	1.5
259.08026	2.1
359.37125	1.2
397.86591	1.2
405.30280	1.1
419.66556	1.0
505.40814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04473	0.8
51.16198	0.9
55.01851	1.9
55.05504	7.9
57.03408	2.4
57.07062	1.6
59.04967	1.0
61.10252	0.8
64.32384	1.2
67.05481	12.3
68.05787	1.0
69.03407	5.0
69.07046	19.3
71.04973	5.7
79.05462	13.1
81.03387	3.9
81.07027	38.0
82.07365	4.0
83.04935	2.3
83.08592	2.2
85.02882	5.9
85.06525	5.5
91.05447	22.3
93.07011	39.7
94.04145	1.6
94.07351	5.5
95.04938	9.6
95.08566	25.4
96.08920	1.3
97.02842	1.4
97.06487	7.6
97.10142	2.3
98.06782	1.0
99.04453	1.3
103.05449	6.4
105.06999	21.2
105.64699	1.0
106.07344	1.6
107.04927	8.4
107.08558	16.9
108.08907	3.8
109.02855	1.5
109.06465	7.2
109.10133	19.8
110.10497	1.3
111.08072	8.0
115.05440	8.3
117.03318	1.9
117.06987	7.5
119.04911	8.9
119.08528	12.4
121.06487	9.9
121.10108	22.1
122.03632	10.6
122.10440	3.9
123.04430	1.5
123.08023	6.5
123.11652	11.7
124.12022	1.1
125.05979	1.2
128.06160	1.5
128.15176	0.9
129.06964	12.2
131.04890	7.0
131.08551	7.4
133.06476	2.1
133.10121	8.6
135.04431	1.8
135.08051	6.2
135.11652	8.4
137.05939	100.0
137.09573	1.3
137.13214	1.2
138.06258	1.6
139.11105	3.9
141.06987	1.6
143.04866	1.9
144.05698	1.4
145.02826	7.5
145.06467	2.3
145.10094	5.2
146.03220	2.0
147.04352	2.3
147.08005	4.1
147.11632	8.0
148.05130	1.8
149.05933	7.5
149.09587	1.7
149.13252	2.4
151.03885	2.1
151.07506	38.7
151.11069	1.8
153.12654	1.3
157.06497	5.5
159.07910	3.4
159.11647	6.1
160.05133	2.0
161.05930	40.7
161.09616	6.8
161.13199	4.3
162.06674	1.5
163.03874	2.1
163.07492	11.3
163.14769	1.2
164.07793	1.1
165.06937	6.2
165.09096	4.2
165.12700	4.3
167.06975	6.4
167.08371	1.3
174.06688	5.6
174.13704	1.0
175.07474	28.3
175.14764	2.0
177.05443	8.9
177.06917	2.2
177.09044	5.0
178.05811	1.9
178.07805	1.2
179.08488	1.3
181.06384	2.0
181.08498	1.5
182.07185	1.3
184.80194	1.2
185.05994	1.4
187.07484	2.2
187.14804	1.9
189.09030	19.7
190.07715	1.2
191.06970	1.9
191.08604	1.4
191.10449	1.1
193.06442	1.6
194.07220	7.6
195.08037	4.5
195.10129	11.6
199.07463	2.0
201.09152	1.6
201.16321	2.0
205.06541	2.5
206.07130	2.1
207.08029	4.1
207.10135	4.4
208.08920	1.2
210.06699	2.1
211.07568	4.7
213.09016	1.3
215.07042	1.9
217.06422	1.3
217.19588	1.1
218.07236	1.6
219.07994	4.8
219.10133	9.9
221.05896	7.1
221.09529	1.2
222.06694	6.2
223.07526	2.1
223.13086	1.3
224.08250	1.9
225.09036	5.5
233.05965	1.7
234.06705	4.3
235.07407	2.5
236.08401	1.7
237.09048	8.9
239.06963	4.2
239.10570	2.1
245.09653	2.0
247.07489	1.7
248.08183	1.6
249.09064	6.2
250.06171	1.6
251.06897	2.5
251.10564	2.0
252.07759	1.7
253.08543	6.0
255.06378	3.9
259.07446	1.3
261.09009	1.6
263.06876	1.9
263.10522	1.3
264.07559	1.1
265.08478	17.7
267.10043	6.3
268.07162	1.4
270.08749	2.0
271.09729	1.5
277.08524	5.9
277.12000	1.8
279.10056	4.1
281.07910	2.0
281.11780	1.0
282.08798	1.8
283.09348	2.1
285.11154	8.5
287.23624	2.0
291.09909	2.1
293.08224	2.0
293.11578	1.3
295.09451	4.0
297.11151	18.0
299.12738	1.5
305.11588	2.1
305.24557	9.6
306.25058	4.9
309.11188	2.4
311.12665	15.3
315.12164	6.9
323.12628	6.5
323.25769	9.8
324.26053	2.1
337.14194	13.1
341.13995	1.8
341.26788	4.1
355.15338	19.8
359.21848	1.6
364.82883	1.2
367.15265	10.6
385.18066	5.0
461.19232	1.7
479.20670	7.3
491.20386	2.1
509.21707	2.1
539.21161	1.4
539.28235	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51615	0.1
53.03901	0.1
55.01845	0.3
55.05485	0.7
57.03393	0.2
57.07038	0.3
59.04964	0.2
61.02905	0.1
63.27922	0.1
65.03918	0.2
67.05479	1.2
69.03394	0.9
69.07034	2.0
70.06531	0.1
71.04955	0.7
79.05457	2.1
81.03373	0.3
81.07025	5.6
81.32365	0.1
83.04937	0.3
83.08578	0.3
85.02868	1.3
85.06501	0.8
89.03906	0.2
90.75532	0.1
91.05447	2.5
93.07004	3.4
94.04157	2.3
95.04934	0.6
95.08564	3.1
97.02836	0.2
97.06484	0.3
99.08073	0.3
103.05436	0.6
105.07004	1.3
107.04897	0.7
107.08569	2.3
109.02843	0.2
109.06481	2.4
109.10123	2.4
111.04397	0.2
111.08039	1.3
111.11645	0.2
112.08372	0.1
117.03336	0.3
117.06965	0.2
119.04871	0.9
119.08534	0.8
121.06473	0.6
121.10105	2.5
122.03606	7.6
123.08027	0.7
123.11660	1.8
125.05971	0.2
125.09636	0.2
127.03847	0.2
127.11138	0.6
128.06172	0.2
128.50731	0.2
129.06923	0.3
131.04886	0.6
131.08534	0.7
133.10092	1.1
134.03630	0.1
135.04353	0.3
135.11658	0.6
137.05934	100.0
137.13228	0.8
138.06273	0.8
139.11111	1.4
141.06912	0.2
143.04903	0.2
143.08559	0.3
145.02786	1.4
145.10095	0.6
147.11638	0.6
149.05931	1.4
149.09543	0.1
149.13234	0.3
151.03841	0.2
151.07501	3.5
151.11128	4.0
153.01807	0.3
153.05452	0.2
153.06938	0.3
153.12686	0.3
155.14255	0.1
157.06354	0.1
157.10069	0.2
157.12202	1.0
159.08067	0.3
159.11633	0.2
161.05945	0.6
161.13104	0.2
163.03871	0.2
163.07510	0.8
167.07132	0.2
169.06436	0.3
169.12198	1.2
171.07965	0.2
173.09576	0.2
174.06812	0.1
175.07474	1.3
177.05417	2.2
179.06927	0.6
181.06429	1.1
182.16566	0.1
183.08092	0.2
187.07436	1.0
188.08231	0.2
189.09016	0.4
195.07942	0.6
197.05949	0.2
197.72844	0.2
198.06700	0.3
199.07486	1.0
201.09062	0.8
201.16331	0.2
203.10541	0.2
211.07487	1.0
213.09007	2.9
215.10614	0.3
219.10049	0.2
225.09195	0.7
229.04721	0.2
229.10277	0.3
231.08002	0.3
232.08891	0.2
237.09039	0.2
237.18391	0.3
243.10110	0.3
245.09608	0.3
247.07207	0.2
247.09508	0.2
248.08171	0.6
249.08957	0.3
252.96895	0.2
257.09467	1.1
258.10202	0.2
259.07312	0.6
259.09656	2.5
261.11102	0.8
262.05954	0.1
262.09692	0.1
263.06982	0.3
265.08453	0.2
268.07236	0.3
269.09586	0.3
269.22501	0.2
273.09027	0.7
274.09775	0.9
275.10397	0.2
276.07718	0.6
277.08368	1.1
277.11368	0.1
277.12198	0.1
278.09219	0.2
279.10059	0.3
283.09610	0.7
285.08984	0.9
286.09775	0.2
287.10526	0.3
287.23083	0.2
288.07776	0.2
289.08652	0.3
289.12112	0.9
291.10153	1.5
293.08041	0.3
293.11249	0.2
297.08490	0.2
297.11295	0.2
301.08463	0.7
301.11960	0.3
302.09293	0.9
303.09930	0.8
305.11707	0.2
305.24503	1.0
307.09622	1.3
307.12854	0.2
308.10321	0.5
309.10931	0.7
314.09286	0.5
315.10205	0.2
317.11563	2.3
320.10379	0.2
321.11215	1.2
322.11829	0.3
323.12546	0.4
323.25757	0.8
329.11646	0.8
331.09470	0.2
333.10968	0.6
334.12027	0.3
335.12692	1.4
337.14160	0.2
339.12125	0.3
341.13757	0.6
341.26520	0.3
347.12646	0.3
349.14401	1.6
353.13651	1.0
355.15247	1.1
361.14209	0.8
365.13638	0.3
367.15271	8.3
369.16962	0.2
379.15158	1.8
385.16034	0.2
397.16324	1.4
399.12561	0.2
424.66855	0.2
471.17313	0.2
473.19443	0.6
485.19574	0.6
491.20819	1.4
503.20441	1.7
516.37476	0.2
521.21503	1.6
539.20392	0.3
539.28003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57096	0.5
53.03929	0.6
54.81396	0.5
55.01850	0.8
55.05272	0.7
55.05501	11.2
56.08900	0.5
57.03419	66.0
57.07061	8.8
58.46755	0.5
59.05001	0.7
60.23763	0.5
61.02903	9.7
63.31923	0.6
67.05486	7.4
69.07042	17.7
71.01315	0.7
71.04967	86.0
71.08601	5.6
73.02893	2.7
74.58369	0.8
75.04448	11.3
75.87605	0.5
79.05476	4.8
81.07026	11.4
83.04941	4.5
83.08595	11.4
84.30090	0.6
85.02877	79.9
85.06522	0.7
85.10158	3.6
87.04430	2.5
92.08701	2.2
93.05474	9.8
93.07008	9.5
95.08582	9.3
97.06477	5.1
97.10134	8.9
99.04427	0.7
104.73040	0.5
107.08570	6.6
109.10107	6.5
110.84075	0.6
111.04416	4.7
111.08015	1.2
111.11697	3.4
112.59245	0.6
117.05458	60.2
121.10104	10.6
125.13245	0.6
129.05441	12.2
135.11642	8.7
139.11168	0.6
146.22670	0.6
147.06482	4.0
149.13222	3.8
159.06522	0.7
163.14734	1.1
166.94974	0.6
191.17738	1.0
227.09219	0.7
247.24219	2.8
248.91248	0.6
251.06154	0.6
260.93201	0.7
263.11203	3.3
265.25201	4.4
283.26300	1.1
292.51941	0.6
339.28705	7.1
357.29858	100.0
485.34622	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	538.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08439	1.8
51.09114	1.5
55.01858	2.6
55.05494	23.5
55.53357	1.4
56.96542	2.9
57.07045	9.7
57.18338	1.4
62.47118	1.4
66.29311	1.6
67.03487	1.8
67.05476	23.8
68.49741	1.7
69.03398	9.7
69.07037	32.5
71.04964	6.9
73.71151	1.7
79.05451	21.4
81.03384	3.8
81.07024	66.3
83.04933	3.6
83.08579	16.1
85.02879	9.2
85.06512	9.5
89.01252	2.0
91.05442	27.9
92.18961	1.9
93.07005	64.5
93.93179	1.7
94.07346	2.0
95.04920	11.5
95.08569	64.3
97.02843	2.3
97.06503	14.5
97.10115	4.0
99.04401	8.7
99.08067	6.9
100.07578	2.6
100.11214	10.7
103.05383	2.7
105.06993	62.3
107.04932	2.6
107.08555	73.6
109.02844	3.6
109.06501	18.7
109.10129	26.5
111.04401	3.7
111.08049	24.2
113.05970	3.7
117.06964	4.2
119.04932	2.5
119.08538	100.0
120.08019	1.8
121.06445	16.5
121.10100	54.3
123.08024	15.8
123.11656	19.3
125.09569	8.3
127.03905	4.1
128.07011	2.2
129.06964	4.4
130.07758	1.7
131.08524	47.0
133.02754	3.7
133.06473	2.2
133.10080	70.1
135.04471	2.0
135.08003	18.1
135.11646	30.2
137.04999	1.8
137.05894	13.6
137.09576	8.0
137.13249	7.1
139.11069	2.7
142.07713	2.3
143.08536	12.4
145.10081	54.6
147.08008	14.3
147.11636	61.9
149.05931	2.4
149.09558	10.5
149.13211	28.9
151.07512	7.3
151.11125	3.9
156.09314	2.3
157.10069	20.0
158.10840	3.8
159.08005	2.3
159.11629	35.0
161.09558	19.8
161.13182	49.6
163.03877	4.2
163.07492	2.1
163.11098	7.2
163.14716	14.1
165.09033	8.8
167.07025	2.5
167.08516	2.3
167.14311	2.2
169.10071	4.1
171.11603	16.1
173.09544	3.3
173.13196	35.2
175.11142	10.0
175.14717	20.3
177.12714	2.1
177.16380	3.4
179.10573	1.8
179.14230	2.4
182.15363	10.9
182.91226	1.8
183.11613	11.2
184.16924	6.8
185.13225	16.8
187.05922	2.3
187.11145	2.6
187.14748	51.1
189.09055	9.8
189.12679	22.9
189.16360	12.6
191.14287	11.1
191.17841	2.8
195.11488	2.9
197.13237	8.9
199.14769	8.9
201.12712	8.4
201.16307	37.4
203.14185	18.4
203.17894	8.0
205.15776	12.9
207.11952	2.3
207.13719	18.0
209.13252	3.6
210.14896	13.0
211.14734	3.9
213.16357	8.3
215.14268	13.7
217.15820	2.8
219.13710	7.8
219.17282	3.7
221.15292	3.8
223.14865	3.2
225.16176	2.3
227.17735	2.8
229.15918	2.5
237.14630	2.6
241.15883	2.1
241.19504	2.6
245.15363	3.2
253.19435	2.4
255.21107	2.5
266.21030	3.8
267.20892	2.1
269.22333	2.5
294.20670	2.7
305.24496	9.1
323.25757	13.6
341.26825	7.3
355.12637	11.0
363.26443	2.9
376.21469	7.2
377.22760	4.3
383.12228	7.7
391.30170	1.8
393.31366	3.7
403.29706	8.8
409.30908	2.2
415.14844	3.7
421.31046	17.9
423.32214	8.0
439.31985	29.5
441.33218	7.3
457.33182	18.8
466.14255	2.7
467.31311	14.0
475.33682	3.4
485.32556	24.7
490.15466	2.6
503.26657	2.9
503.33585	49.6
520.37146	2.8
521.34344	9.3
538.26703	3.7
538.38568	13.6
539.26947	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	538.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08439	1.8
51.09114	1.5
55.01858	2.6
55.05494	23.5
55.53357	1.4
56.96542	2.9
57.07045	9.7
57.18338	1.4
62.47118	1.4
66.29311	1.6
67.03487	1.8
67.05476	23.8
68.49741	1.7
69.03398	9.7
69.07037	32.5
71.04964	6.9
73.71151	1.7
79.05451	21.4
81.03384	3.8
81.07024	66.3
83.04933	3.6
83.08579	16.1
85.02879	9.2
85.06512	9.5
89.01252	2.0
91.05442	27.9
92.18961	1.9
93.07005	64.5
93.93179	1.7
94.07346	2.0
95.04920	11.5
95.08569	64.3
97.02843	2.3
97.06503	14.5
97.10115	4.0
99.04401	8.7
99.08067	6.9
100.07578	2.6
100.11214	10.7
103.05383	2.7
105.06993	62.3
107.04932	2.6
107.08555	73.6
109.02844	3.6
109.06501	18.7
109.10129	26.5
111.04401	3.7
111.08049	24.2
113.05970	3.7
117.06964	4.2
119.04932	2.5
119.08538	100.0
120.08019	1.8
121.06445	16.5
121.10100	54.3
123.08024	15.8
123.11656	19.3
125.09569	8.3
127.03905	4.1
128.07011	2.2
129.06964	4.4
130.07758	1.7
131.08524	47.0
133.02754	3.7
133.06473	2.2
133.10080	70.1
135.04471	2.0
135.08003	18.1
135.11646	30.2
137.04999	1.8
137.05894	13.6
137.09576	8.0
137.13249	7.1
139.11069	2.7
142.07713	2.3
143.08536	12.4
145.10081	54.6
147.08008	14.3
147.11636	61.9
149.05931	2.4
149.09558	10.5
149.13211	28.9
151.07512	7.3
151.11125	3.9
156.09314	2.3
157.10069	20.0
158.10840	3.8
159.08005	2.3
159.11629	35.0
161.09558	19.8
161.13182	49.6
163.03877	4.2
163.07492	2.1
163.11098	7.2
163.14716	14.1
165.09033	8.8
167.07025	2.5
167.08516	2.3
167.14311	2.2
169.10071	4.1
171.11603	16.1
173.09544	3.3
173.13196	35.2
175.11142	10.0
175.14717	20.3
177.12714	2.1
177.16380	3.4
179.10573	1.8
179.14230	2.4
182.15363	10.9
182.91226	1.8
183.11613	11.2
184.16924	6.8
185.13225	16.8
187.05922	2.3
187.11145	2.6
187.14748	51.1
189.09055	9.8
189.12679	22.9
189.16360	12.6
191.14287	11.1
191.17841	2.8
195.11488	2.9
197.13237	8.9
199.14769	8.9
201.12712	8.4
201.16307	37.4
203.14185	18.4
203.17894	8.0
205.15776	12.9
207.11952	2.3
207.13719	18.0
209.13252	3.6
210.14896	13.0
211.14734	3.9
213.16357	8.3
215.14268	13.7
217.15820	2.8
219.13710	7.8
219.17282	3.7
221.15292	3.8
223.14865	3.2
225.16176	2.3
227.17735	2.8
229.15918	2.5
237.14630	2.6
241.15883	2.1
241.19504	2.6
245.15363	3.2
253.19435	2.4
255.21107	2.5
266.21030	3.8
267.20892	2.1
269.22333	2.5
294.20670	2.7
305.24496	9.1
323.25757	13.6
341.26825	7.3
355.12637	11.0
363.26443	2.9
376.21469	7.2
377.22760	4.3
383.12228	7.7
391.30170	1.8
393.31366	3.7
403.29706	8.8
409.30908	2.2
415.14844	3.7
421.31046	17.9
423.32214	8.0
439.31985	29.5
441.33218	7.3
457.33182	18.8
466.14255	2.7
467.31311	14.0
475.33682	3.4
485.32556	24.7
490.15466	2.6
503.26657	2.9
503.33585	49.6
520.37146	2.8
521.34344	9.3
538.26703	3.7
538.38568	13.6
539.26947	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	538.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
55.05495	10.8
57.03435	1.0
57.07043	2.7
58.52357	0.9
67.05483	12.2
69.03403	2.5
69.07039	18.3
71.04965	2.8
73.46363	1.0
76.88916	1.0
77.88591	1.0
77.99812	1.0
79.05466	13.1
81.07019	33.9
83.04955	4.8
83.08588	8.9
84.56499	1.1
85.02792	0.9
91.05441	13.7
93.07007	30.4
95.04929	2.5
95.07951	1.8
95.08568	52.2
97.06506	5.7
97.10123	2.2
99.04401	1.5
99.08068	4.8
101.05974	2.5
105.06989	36.7
107.08556	51.1
109.06503	4.3
109.10125	30.5
111.08043	11.7
115.07580	2.2
117.06986	6.2
119.08541	56.9
119.09396	2.0
120.08862	1.6
121.06445	6.4
121.10107	30.5
123.08045	4.5
123.11665	12.1
125.09545	1.9
127.07622	1.1
129.05371	1.2
129.06953	1.9
131.07646	2.0
131.08528	26.7
133.10077	34.0
134.59447	1.1
135.07976	4.5
135.11636	15.3
137.09528	2.6
137.13234	4.8
139.11084	1.5
141.09070	1.9
143.06972	1.7
143.08501	11.9
144.09229	1.4
145.10072	62.5
146.04085	1.1
147.07939	1.5
147.11639	29.0
149.09564	2.8
149.13184	15.6
151.07526	2.5
151.11122	1.8
151.14786	1.4
153.09123	1.7
155.83174	1.1
157.08875	1.6
157.10042	10.8
158.10872	2.1
159.08006	1.5
159.11656	25.8
161.09544	4.8
161.13216	18.3
163.07489	2.1
163.11137	2.4
163.14787	14.2
165.09082	5.4
165.12729	6.9
167.06978	9.9
171.11642	10.5
173.13200	24.3
175.11191	1.7
175.14766	24.3
177.16318	12.7
179.10631	8.2
179.14294	1.3
182.10767	1.1
182.27251	1.2
183.10104	1.3
183.11652	1.5
184.12376	1.1
185.08037	2.8
185.13197	11.4
187.14752	100.0
188.15099	1.2
189.16318	27.6
191.10596	5.2
191.14238	2.7
191.17914	4.8
193.12192	1.8
197.11644	5.5
197.13278	2.3
199.14795	11.2
201.16321	60.9
203.17873	35.3
205.15880	4.6
209.15308	1.6
211.13164	1.7
211.14931	2.2
213.16272	15.7
215.17892	11.2
217.15817	1.4
217.19344	1.5
219.13762	2.6
219.17378	2.6
221.15268	1.9
225.14752	5.3
227.17917	8.3
229.15887	1.4
229.19496	4.5
231.21129	1.4
233.15289	2.4
237.14659	8.5
239.16183	3.8
241.19398	2.5
241.45886	1.2
243.20885	1.8
247.16801	10.2
251.16351	2.0
255.15839	28.2
255.21022	1.7
265.17813	2.6
269.22525	2.0
281.17383	2.0
283.19095	1.6
326.19220	1.3
355.02628	1.4
399.29105	1.8
421.30667	2.6
427.32031	1.8
439.31863	32.1
441.33401	8.4
457.32980	41.7
459.34567	12.0
467.31564	2.2
475.34329	2.5
485.32455	2.6
503.33353	11.5
538.27032	1.5
539.31042	1.2
556.78326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80426	2.9
55.05488	18.9
57.03413	3.5
57.07063	4.5
61.02918	2.5
67.05482	21.3
69.03400	13.9
69.07053	25.0
71.04977	3.2
72.73161	2.6
73.02917	3.3
75.12938	2.2
77.48118	2.4
78.17693	2.6
79.05476	24.0
81.03398	5.5
81.07030	40.9
83.04967	5.8
83.08591	4.8
85.02881	36.5
85.06530	3.5
86.49986	2.5
87.04450	6.3
91.05445	46.0
93.07015	60.3
94.20857	2.3
95.04930	11.9
95.08575	53.4
97.02878	9.7
97.06499	4.1
99.08057	19.1
102.38415	2.5
105.07010	67.9
105.57689	2.8
107.04902	3.3
107.08559	70.9
109.06484	15.0
109.10129	37.8
111.08050	3.8
112.90704	2.4
115.03915	14.7
117.06995	10.1
119.08547	100.0
121.06503	4.3
121.10105	71.5
123.08022	3.2
123.11700	14.8
125.09650	3.6
127.03897	11.8
128.06187	2.8
129.06987	3.4
131.08511	39.4
132.92480	2.4
133.05008	2.9
133.10098	64.6
135.07994	5.2
135.11650	33.4
137.09595	13.7
142.07751	4.0
143.08511	15.3
144.09309	6.2
145.04929	10.4
145.10086	67.0
147.08009	5.0
147.11647	53.8
149.09596	3.9
149.13222	14.5
151.11157	3.0
155.06085	2.9
155.08578	3.1
156.09308	3.7
157.10089	30.4
159.11644	43.1
161.09541	4.0
161.13211	26.6
163.11133	14.7
163.14792	12.4
169.10048	5.0
170.10872	3.9
171.11641	17.5
172.12328	3.1
173.13235	36.3
175.14786	18.0
177.05510	3.3
177.12680	10.6
177.16333	14.8
178.18881	2.9
181.10071	3.5
183.11636	10.1
185.13187	25.7
187.14748	44.9
189.12645	5.9
189.16367	13.1
191.14174	10.0
197.13255	5.8
199.14729	19.7
201.12558	3.8
201.16335	38.4
203.14249	2.7
203.17920	2.8
205.15822	35.9
207.17426	3.0
211.14767	3.8
213.16307	6.6
215.14207	3.7
215.17894	4.9
217.15900	4.9
219.13826	4.6
219.17393	15.5
219.46672	2.6
223.16855	15.6
225.16226	3.2
227.17952	4.0
229.15955	4.4
263.18283	2.6
335.10306	3.3
405.31384	4.3
407.33072	10.7
421.30725	4.9
423.32361	12.2
425.33896	13.8
439.31796	5.5
441.33395	11.3
457.32492	4.3
485.31909	3.1
497.31662	3.5
510.27335	2.9
510.35321	2.7
538.25641	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	538.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98448	2.6
54.87561	3.5
55.05485	21.5
57.07061	4.5
67.05480	25.7
69.03394	8.6
69.07039	20.4
71.04954	4.2
79.05460	20.3
81.07026	38.4
83.04966	3.2
83.08601	13.9
85.02880	6.4
91.05450	21.9
93.07018	61.9
94.26607	3.6
95.04910	5.1
95.08575	57.6
97.06499	6.1
99.08062	12.7
105.01788	3.3
105.07004	48.9
107.08559	77.3
109.06485	5.7
109.10137	38.9
111.08037	6.8
117.06960	19.2
119.08547	100.0
121.06453	7.8
121.10100	82.3
123.08057	4.2
123.11664	16.8
125.09589	4.7
129.06906	5.7
130.07744	5.8
131.08536	47.6
133.10077	68.9
134.64899	3.6
135.08028	7.6
135.11670	41.0
137.05891	4.1
137.09607	7.2
142.07863	4.1
143.08495	16.8
144.09315	4.2
145.10100	64.2
147.07974	4.4
147.11655	47.5
149.13225	15.9
157.10123	13.3
159.11594	40.9
161.13165	19.9
163.03815	4.1
163.11133	13.9
163.14763	6.5
169.10109	5.1
171.11674	20.9
173.13229	31.7
175.14798	24.0
177.16328	18.0
178.19162	4.0
183.11749	8.1
185.13206	24.5
187.14761	50.1
189.12752	7.2
189.16292	14.1
191.14276	5.5
195.11667	5.6
197.13258	7.1
199.14697	7.4
201.16336	33.9
205.15834	40.4
207.17542	3.4
209.13147	6.6
213.16264	5.1
219.17479	4.9
223.16748	5.8
237.18526	3.5
267.63187	3.5
315.98499	4.2
333.82477	4.0
407.32996	21.9
425.33823	16.8
441.33347	13.8
457.32870	5.8
538.26947	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	538.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
55.01855	1.2
55.05492	18.1
57.07055	2.2
67.05484	16.1
69.03393	2.3
69.07045	22.4
70.58306	1.0
71.04941	2.2
73.01443	1.1
77.39542	1.1
79.05466	23.2
81.03400	1.7
81.07027	39.1
83.04951	9.9
83.08593	13.7
85.02873	2.8
85.06511	5.3
91.05444	19.1
92.09273	1.5
93.07005	47.9
95.04940	2.3
95.08572	51.9
97.02864	1.3
97.06440	1.4
97.10128	2.2
99.08047	9.7
101.05966	2.2
105.06990	48.2
107.04907	1.2
107.08559	98.4
108.18324	1.1
109.06472	7.3
109.10126	26.2
111.08028	8.1
117.07001	10.7
119.08537	100.0
121.06467	5.7
121.10106	40.8
123.08036	9.4
123.11666	10.3
125.05936	1.5
125.09554	4.1
129.06956	2.6
131.08522	35.2
133.10078	56.8
135.08012	15.2
135.11647	30.8
137.05965	1.6
137.09602	2.8
137.13235	1.3
142.07735	2.9
143.08534	20.1
145.08989	2.3
145.10085	53.1
147.07979	5.9
147.11642	34.7
149.09573	7.0
149.13211	13.3
151.07512	1.8
153.08943	1.3
155.08540	4.7
156.09322	2.2
157.10080	20.3
158.10831	2.2
159.07957	2.3
159.11650	34.8
161.09587	11.6
161.13188	29.9
163.07491	1.5
163.11140	5.5
163.14763	29.6
169.10110	8.4
170.10803	4.7
171.07861	1.7
171.11635	15.5
173.09521	5.6
173.13179	23.7
175.07495	2.1
175.11082	9.2
175.14740	15.1
177.09108	1.3
177.12666	7.6
177.16304	8.4
179.08348	1.2
179.10489	1.3
179.14172	8.7
181.10033	1.9
181.15852	2.4
183.11641	9.5
185.13181	16.6
187.11087	5.3
187.14751	56.5
189.12727	10.8
189.16341	16.0
191.14221	8.6
191.17892	4.9
195.11694	5.0
197.13191	7.6
199.11116	2.8
199.14822	12.9
200.11853	1.5
201.12691	6.8
201.16304	17.8
203.14291	14.6
203.17924	1.7
205.15852	21.0
207.17383	1.6
209.13130	2.4
211.14778	7.2
213.16269	8.5
215.14275	18.4
215.17841	1.8
217.15768	8.8
219.13745	2.8
221.15350	1.5
223.14693	4.5
223.16792	1.5
225.16261	4.2
227.14284	2.8
227.17812	2.3
229.15701	9.1
231.13785	4.4
233.15259	9.0
233.18840	1.7
237.16338	1.6
239.17783	2.8
243.17241	4.5
243.21080	1.4
245.15193	1.9
247.16875	1.3
253.19360	1.6
257.27798	1.4
259.16779	4.1
261.18341	6.7
263.17883	1.4
265.19550	2.2
273.18246	1.7
282.90497	1.2
319.20303	1.3
325.25027	2.6
351.22910	1.3
367.26208	1.9
379.29791	2.0
391.29825	1.4
393.31396	5.5
403.24756	1.5
403.29575	8.1
405.31342	2.8
421.30887	31.6
423.32492	12.3
439.31943	45.2
441.33716	14.3
444.18027	1.2
449.30347	7.0
457.33002	55.6
467.31439	35.4
475.34158	8.3
485.32495	29.4
503.33469	54.5
535.90985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12389	2.3
55.05495	25.4
57.03423	30.5
57.07057	6.1
59.04941	2.4
61.02879	3.4
67.05476	15.5
69.03398	37.6
69.07038	6.6
71.04948	4.0
73.02881	41.6
79.05446	12.0
81.07023	36.8
83.04954	22.7
83.08585	24.5
85.02879	39.7
85.06522	4.8
91.05458	14.5
93.07009	26.7
95.04906	25.6
95.08568	20.3
97.02861	34.2
97.06483	19.3
99.04409	3.6
101.89885	3.0
105.07008	29.4
107.08562	47.6
109.02898	2.8
109.06493	38.3
109.10124	48.4
111.08067	13.4
115.03883	5.8
115.07580	4.2
119.08541	21.6
121.10079	45.8
123.08025	7.0
123.11655	14.2
125.09536	5.5
127.03870	3.2
131.08551	23.4
133.10089	83.5
135.08002	17.4
143.08557	3.8
145.10078	6.9
147.11618	18.7
149.13228	21.3
151.11110	23.0
153.09052	14.8
158.10835	7.1
163.14711	5.7
165.12712	3.6
167.14261	21.2
173.13196	51.6
175.14746	14.3
191.14244	40.8
209.15302	100.0
227.16414	26.6
241.06776	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	538.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80786	7.0
55.05488	21.1
57.03415	11.6
61.53470	8.5
67.05482	20.8
67.22149	7.5
69.07041	14.1
79.05449	19.7
81.07004	72.3
83.08572	11.9
86.09720	11.4
91.05434	20.3
93.07010	45.6
95.08584	75.7
99.08070	11.8
105.06996	85.1
107.08555	97.5
109.06456	12.2
109.10118	20.0
117.06992	8.4
119.08572	94.3
121.06387	9.7
121.10104	60.3
123.08028	10.6
131.08528	50.0
133.10104	56.1
135.08040	12.0
135.11652	15.2
137.09576	12.0
145.10080	68.1
147.11638	78.0
151.07481	11.7
153.43001	8.8
159.11618	14.5
161.13152	15.4
171.11629	17.0
173.13229	17.7
175.14685	12.1
177.16321	19.6
184.07304	13.7
185.13174	12.1
187.14754	70.4
189.16370	17.2
199.14809	11.8
201.16376	16.7
205.15843	100.0
235.16849	21.7
239.16374	42.8
251.16290	36.8
269.17352	45.7
415.89697	11.3
439.31717	36.3
447.73843	9.9
457.32785	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	538.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98587	0.3
53.03934	0.5
55.01851	0.7
55.05490	2.1
57.03416	1.6
57.07062	0.4
59.04973	0.3
61.02901	2.3
64.89008	0.4
67.05494	3.0
69.03400	5.2
69.07042	2.7
71.04971	3.4
73.02856	1.3
79.05457	2.2
81.03394	3.8
81.07024	8.8
82.07359	0.8
83.04948	0.7
83.08569	0.7
85.02873	14.4
85.06511	1.5
91.05465	3.9
93.07003	6.0
94.04126	0.6
94.07352	0.5
95.04929	2.2
95.08569	4.5
97.01538	0.4
97.02855	5.1
97.06512	0.9
99.04424	0.9
99.08078	0.8
100.11217	0.9
103.05427	1.6
104.05294	0.4
105.07004	4.5
107.04914	0.9
107.08563	4.2
108.32564	0.4
109.02863	1.9
109.06476	2.4
109.10122	3.8
110.10467	0.5
111.04370	1.5
111.08057	2.3
112.07476	0.3
112.81300	0.3
115.05421	7.3
117.06979	2.9
119.04887	0.5
119.08523	2.5
121.10094	4.7
122.03589	3.4
122.10432	0.6
123.08028	0.9
123.11652	3.1
124.11937	0.5
125.05946	1.8
125.09566	0.9
127.03866	2.6
128.06203	0.9
129.06943	6.5
131.04883	5.5
131.08534	1.7
133.10083	5.3
135.07985	0.6
135.11647	1.9
137.05931	91.4
138.06221	1.0
139.11111	0.9
143.04877	13.1
143.10645	0.6
144.05635	1.8
145.02879	0.6
145.04929	2.0
145.06444	2.5
145.10101	1.9
147.04344	0.7
147.07973	0.6
147.11722	1.1
149.05908	0.7
149.09520	0.5
149.13199	0.5
151.03889	0.8
151.07507	0.8
151.11086	0.9
153.05441	3.0
153.12657	0.8
157.06461	5.7
157.10043	0.7
159.11646	0.6
160.05128	20.4
161.05956	3.3
161.13199	0.7
163.03838	0.5
163.07458	3.0
167.06966	0.9
167.10515	0.4
172.05089	3.2
174.06702	3.4
175.07481	100.0
176.07848	0.8
177.05438	1.9
177.09050	0.7
180.08612	1.7
187.07478	34.3
189.09064	6.5
191.08459	0.8
199.07486	0.5
201.16310	0.6
203.08472	1.8
205.08539	15.6
205.10316	0.6
211.07416	1.8
217.08553	3.1
219.07988	2.4
231.08040	1.8
235.07335	1.0
235.09560	17.2
237.18475	3.6
239.06903	0.8
240.07690	0.6
247.07349	0.9
248.08221	2.2
251.10510	0.6
255.06461	1.5
259.07297	0.5
263.10559	2.6
264.07901	0.6
270.08768	2.4
271.09555	3.6
276.07745	0.7
277.08380	0.6
279.09930	2.1
281.02237	0.4
281.08002	0.6
283.09451	0.9
291.10089	4.2
304.23279	0.7
308.10229	0.6
311.12601	2.4
321.24103	0.5
323.12592	3.0
341.13681	7.7
344.00900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05493	22.5
57.03413	6.0
57.07048	10.6
59.04961	3.7
67.05479	42.2
69.03399	24.7
69.07040	37.7
71.04962	21.1
79.05450	19.9
81.06546	3.7
81.07023	100.0
83.04948	8.9
83.08596	7.3
84.15677	1.6
85.02874	10.0
85.06523	25.3
91.05435	21.0
92.08717	3.3
93.07008	84.5
95.04928	14.2
95.08569	63.9
97.02852	2.0
97.06477	13.3
97.10136	3.6
98.12959	1.6
99.08043	7.2
105.06988	32.0
107.04898	1.6
107.08558	49.6
109.06480	13.0
109.10118	68.2
111.08055	21.1
111.11697	2.2
117.06993	1.9
119.08542	24.8
121.06465	3.6
121.10101	61.5
123.08036	8.3
123.11652	41.8
125.09579	38.9
127.11127	3.1
129.06981	1.9
131.08521	10.1
133.10091	24.4
135.07986	1.8
135.11656	25.4
137.05972	8.5
137.09554	13.6
137.13248	2.9
139.11090	15.0
143.08531	6.9
145.10083	19.8
147.11649	14.4
149.09613	3.7
149.13219	3.1
151.11124	7.7
153.12683	3.1
155.10605	2.7
157.10094	3.6
159.11630	13.1
161.09547	2.8
161.13179	2.7
163.11189	7.0
165.12709	7.6
167.10640	7.0
169.10098	2.3
169.12151	3.5
171.11671	2.8
173.13211	6.4
175.14793	2.5
177.12718	2.3
181.12250	3.0
189.16341	3.3
199.14809	2.9
201.16293	3.1
215.17920	3.2
267.21216	2.4
273.21927	2.2
277.21466	2.8
285.21973	8.5
290.14297	1.7
291.23026	7.5
303.23105	30.3
309.24234	10.7
321.24109	41.4
339.25119	15.7
341.55353	1.6
347.30682	1.6
357.26532	3.0
404.48209	1.7
419.32568	1.6
465.71701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01857	1.4
55.05493	0.5
55.76764	0.3
57.03413	0.6
59.35870	0.2
61.02891	1.6
61.29948	0.2
65.03915	0.6
67.05473	0.6
69.03407	3.9
69.07053	0.4
70.94327	0.3
71.04970	1.6
72.24873	0.3
72.43243	0.3
73.02892	0.7
74.91309	0.3
79.05469	1.5
81.03383	2.5
81.07021	3.4
83.04934	1.2
85.02877	11.5
87.00795	0.5
87.04462	0.3
91.03883	0.4
91.05441	2.3
93.03359	0.7
93.07013	1.3
94.04153	1.4
95.04935	1.7
95.08578	1.2
97.02861	2.8
99.04435	0.8
101.88743	0.3
103.05444	2.3
105.01853	0.3
105.06998	1.9
107.04927	2.8
107.08541	1.4
109.02852	1.3
109.06486	0.8
109.10105	0.4
111.04416	3.4
111.08036	0.4
115.05407	6.8
117.06969	3.2
119.04916	0.6
119.08535	0.6
121.10078	1.5
122.03587	4.3
123.11689	0.5
125.05906	2.2
125.09566	0.6
127.03880	1.7
128.06181	1.8
129.05431	0.7
129.06944	7.2
131.04890	5.5
131.08508	0.5
133.10083	1.6
135.11552	0.4
137.05930	92.3
138.06256	0.4
143.04878	11.7
144.05647	2.0
145.04921	0.7
145.06445	3.4
145.10054	0.4
146.03587	1.9
147.04370	0.4
147.08034	0.6
147.11649	0.4
148.15594	0.3
149.05937	0.6
151.03827	1.2
151.07484	0.5
151.11096	0.5
153.05396	2.5
155.05959	0.4
157.06419	7.0
160.05127	20.9
161.05911	4.0
163.07498	2.5
172.05135	2.8
173.05919	1.3
174.06651	2.9
175.07477	100.0
177.05367	0.4
177.09012	0.6
179.10550	0.3
181.06451	0.5
185.05838	0.5
187.07471	37.8
189.05438	0.7
189.09023	7.0
191.08487	2.0
194.07179	1.4
195.08038	0.4
199.07477	0.5
203.08516	2.6
205.06596	0.5
205.08524	12.7
209.09564	2.6
211.07405	2.0
213.08987	0.5
217.08490	3.2
219.08017	3.4
221.09444	0.3
223.07449	1.6
225.09003	1.7
227.06915	0.4
231.07939	2.6
235.07260	0.6
235.09549	12.6
237.09021	5.1
237.18387	1.3
239.06885	1.4
239.10570	1.8
240.07843	0.6
241.08549	0.4
246.00113	0.4
247.07372	1.4
248.08130	2.7
251.10558	1.2
255.06331	0.8
255.10052	0.6
259.07547	0.5
263.10483	2.0
264.07715	0.5
265.08423	1.6
268.07205	0.4
269.07852	0.4
270.08652	1.9
271.09607	2.4
276.07547	0.8
279.09970	1.7
283.09421	2.6
291.09991	4.5
293.08102	0.6
311.08926	2.0
311.12549	1.5
323.12668	3.5
329.09995	1.3
341.13708	6.1
457.14734	0.5
503.15051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37299	0.7
53.00270	0.8
53.03923	1.4
55.01854	3.0
55.05495	8.4
57.03411	4.6
57.07054	12.4
59.04972	3.1
61.02912	0.9
62.61847	0.7
67.05481	32.8
68.12115	0.7
69.03400	10.0
69.07040	12.2
70.60266	0.9
71.04968	9.0
75.28786	0.7
78.16301	0.8
79.05473	9.5
81.03391	6.0
81.07024	46.6
82.07372	3.3
83.04942	5.4
83.08595	1.7
85.02882	9.5
85.06522	9.8
91.05432	12.0
92.05781	1.0
92.09373	1.5
93.07007	31.6
94.07330	3.7
94.12185	0.8
95.04929	11.2
95.08570	100.0
96.08892	3.7
97.02864	6.2
97.06499	6.3
97.10133	1.2
99.04414	3.5
99.08052	1.5
105.06989	17.0
107.04941	1.0
107.07888	1.4
107.08564	25.8
108.08846	1.3
109.02854	1.4
109.06478	10.1
109.10119	19.2
111.04395	0.9
111.08051	5.0
113.05987	6.2
117.06971	1.9
119.08536	19.3
119.15735	0.8
120.08878	1.4
121.06445	4.5
121.10101	20.4
122.10426	2.0
123.04385	1.0
123.08028	19.5
123.11666	36.5
124.11988	1.9
125.09582	4.3
127.03860	1.0
128.06128	0.8
130.07747	0.9
131.08539	5.7
133.06429	1.6
133.10091	10.9
135.07986	3.8
135.11624	14.0
137.05925	4.5
137.09529	6.2
137.13190	4.5
139.11162	3.2
142.07677	1.3
143.08517	4.7
145.10083	9.5
146.10555	1.1
147.07999	3.8
147.11635	9.2
149.05943	1.1
149.09579	42.9
149.13220	0.9
151.07484	1.9
151.11133	14.3
153.09024	0.8
153.12682	1.8
155.08517	1.0
156.09317	3.3
157.10078	3.7
159.08076	0.9
159.11638	5.2
160.11990	1.0
161.09628	1.6
161.13188	8.1
163.11111	6.9
165.12666	5.3
167.10651	1.0
169.12166	6.6
171.11566	5.1
173.13242	1.9
174.10381	1.4
175.11078	1.3
175.14786	1.4
176.14996	0.9
180.61763	0.9
181.12172	1.0
183.11649	1.0
183.34735	0.9
185.13199	0.8
187.14740	1.3
189.12663	14.4
197.13249	1.3
199.14691	1.5
207.13739	30.1
277.14264	1.1
295.15240	1.6
303.22968	3.4
304.23392	4.7
313.16550	1.4
321.24252	6.3
322.24393	8.5
331.22195	1.4
339.25607	5.9
340.25681	6.9
375.21216	17.3
458.29257	0.9
502.33093	1.1
536.83984	0.8
537.26642	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	537.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00253	0.8
55.05492	2.0
55.81917	0.8
56.96291	1.3
56.96550	21.7
57.07052	0.8
66.79497	0.9
67.05479	4.7
69.03429	1.3
69.07039	5.0
71.04964	1.6
76.55255	1.0
79.05463	4.7
81.07027	12.4
83.04928	1.3
83.08574	1.8
84.96016	7.3
85.02840	1.4
91.05441	5.2
93.07020	7.0
95.04953	4.6
95.08569	8.1
97.06556	1.4
97.10173	1.1
97.96783	1.3
98.97556	23.6
99.08075	1.6
105.06973	6.0
107.08554	8.1
109.02822	1.2
109.06487	2.3
109.10147	7.6
110.97517	7.5
111.08057	1.8
115.00714	1.2
115.67918	1.2
116.98588	16.2
119.08530	7.6
119.42831	1.0
120.08823	1.2
121.06463	1.4
121.10077	5.8
125.09601	1.7
128.98564	13.7
131.00146	1.8
131.08551	1.9
133.01701	1.4
133.10072	4.8
134.99631	9.5
135.07980	1.4
135.11639	1.8
137.06004	1.1
143.00171	1.6
143.08485	1.2
145.02826	1.9
145.10071	5.4
146.99619	14.1
147.11673	1.9
149.09546	1.9
153.00537	1.1
155.03738	1.8
157.10025	1.3
158.99582	1.9
161.01146	1.5
161.13225	1.6
162.99155	1.0
165.00638	2.3
167.06976	1.6
170.99666	1.2
171.11629	1.1
173.04851	1.4
173.13234	1.4
175.14743	1.3
177.00664	3.9
177.05493	3.7
183.37059	1.1
185.04796	4.6
187.14844	1.9
197.04819	3.9
201.04330	1.5
211.06429	1.7
213.07945	1.3
219.01691	8.8
223.06380	1.3
225.07825	5.0
231.09041	1.2
237.02730	25.9
251.09415	1.9
251.85522	1.1
255.03741	1.3
273.11563	6.5
275.09543	1.7
277.11118	2.4
289.11127	2.1
289.14264	1.1
291.12634	9.1
293.14447	1.1
295.11969	1.1
303.23212	1.6
309.13724	1.6
313.14725	1.6
321.24075	2.5
331.15689	37.4
331.19623	1.2
333.17258	25.4
339.25095	1.7
343.15735	2.2
349.16797	9.9
351.18393	6.6
357.17197	12.4
361.16757	1.6
375.18259	24.6
387.18143	4.5
393.19406	8.6
421.15277	1.1
421.25565	1.1
456.59738	1.1
477.21460	100.0
537.23663	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	537.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18841	0.3
52.28101	0.3
53.03929	5.8
55.01853	6.1
57.03429	3.4
61.02890	2.8
67.01830	2.0
67.05473	0.9
68.99759	4.2
69.03030	0.7
69.03401	16.3
69.07036	1.0
70.76295	0.4
71.04620	0.4
71.04964	3.5
73.02894	4.2
79.05466	0.9
81.03386	20.9
81.07014	2.1
83.01324	0.5
83.04926	0.6
85.02874	31.1
87.00799	17.7
87.04335	0.4
89.03871	0.9
91.03925	0.9
93.07008	1.5
95.04948	0.6
95.08548	0.8
97.02856	12.1
99.04426	5.5
105.01841	7.0
105.06969	0.8
107.04922	0.5
107.08564	0.8
109.02845	14.0
109.06450	0.6
109.10109	1.9
111.00776	2.2
111.04384	0.6
111.08052	0.9
114.36061	0.4
117.01836	2.9
117.03334	2.5
121.10078	0.8
123.04390	2.9
123.11644	0.7
127.03874	18.2
129.01808	2.0
133.10040	0.5
135.04369	6.4
135.11607	0.6
137.05913	3.9
139.07465	0.4
145.02792	5.6
145.04906	4.8
147.02855	0.9
151.03867	0.7
153.01778	100.0
159.02821	7.6
159.04134	0.8
163.03842	33.2
171.02826	6.4
177.01688	0.9
179.03331	4.8
182.60011	0.5
187.03831	1.0
189.03706	0.4
195.02829	8.0
205.04971	1.7
218.33342	0.4
219.02733	1.4
231.04907	1.9
261.03851	1.9
271.05984	0.5
289.06961	54.3
290.07275	1.0
291.06033	0.4
313.06882	2.1
315.83429	0.5
321.23993	0.6
331.08020	2.9
339.25024	0.7
355.07968	2.0
375.10788	1.0
397.08975	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80756	1.4
55.01854	2.3
55.05497	18.2
57.07067	2.9
59.50215	1.4
63.97493	1.5
67.05480	19.8
69.03410	6.8
69.07038	19.6
70.09363	1.4
71.04957	2.8
74.55897	1.3
75.97037	1.5
79.05454	19.8
81.07020	43.6
82.05728	1.4
83.04955	8.5
83.08572	11.3
85.02831	1.7
85.06490	2.7
87.04449	2.7
91.05438	25.0
93.07010	42.8
95.04944	8.8
95.08573	63.7
97.06494	9.4
97.10121	2.5
99.04436	1.8
99.08033	3.7
101.05978	2.8
105.06993	48.9
107.04959	2.6
107.08558	58.7
109.06493	11.5
109.10117	36.6
111.08025	23.6
113.05953	3.8
115.07521	1.9
117.06961	14.1
119.08540	95.9
120.08807	2.0
121.06473	7.9
121.10098	42.5
123.08025	10.3
123.11662	16.9
125.05956	2.0
125.09586	3.6
128.06148	3.0
129.06941	9.0
130.07744	2.5
131.08519	50.3
133.10072	38.6
135.08009	7.1
135.11618	16.8
137.05978	2.6
137.09566	6.7
137.13264	6.7
142.07735	8.3
143.06982	2.6
143.07318	2.6
143.08521	34.8
144.09315	3.2
145.06453	1.9
145.10077	100.0
147.08029	6.6
147.11633	34.6
149.09564	8.7
149.13235	7.1
151.07521	7.5
153.09039	2.3
153.68475	1.7
155.08522	8.4
155.10564	1.6
156.09302	11.2
157.10066	48.4
158.10857	3.4
159.08018	2.7
159.11632	55.9
161.09625	6.9
161.13190	23.0
163.07509	13.3
163.11122	6.3
163.14760	9.7
165.09076	7.0
165.12723	8.4
167.06943	13.2
169.08665	2.7
169.10083	8.4
170.10846	16.8
171.11636	40.4
172.12413	2.2
173.00826	1.9
173.09583	2.7
173.13194	54.1
175.05142	2.5
175.11122	6.9
175.14728	15.5
177.09035	6.1
177.12729	2.5
177.16310	3.1
179.10674	9.1
183.11603	18.9
184.07182	1.8
184.12379	2.4
185.08022	3.5
185.13194	44.1
187.14745	40.6
189.12729	8.3
189.16354	6.1
191.14227	18.2
193.12144	2.1
197.11682	2.3
197.13232	14.9
199.11165	3.0
199.14751	68.4
199.16524	3.2
201.12717	6.7
201.16309	22.2
203.14143	2.2
203.17924	2.9
205.12106	2.4
205.15700	2.3
207.13728	2.5
209.11623	2.3
209.15213	1.6
211.14796	9.5
213.12573	1.7
213.16269	20.6
215.14162	2.6
215.17859	4.0
217.12213	3.4
217.15797	10.0
219.13708	3.6
225.14716	7.2
225.16556	2.3
227.17880	10.3
229.54048	2.1
233.15338	2.6
237.14546	13.5
241.19513	1.8
245.15356	6.0
251.16292	2.0
253.19420	2.1
255.15804	34.4
259.16843	2.2
267.15814	2.2
267.20999	1.9
296.88751	1.8
397.27109	2.9
419.29413	2.4
437.30399	14.5
455.31567	30.7
457.32922	7.7
460.85812	2.0
473.32129	6.8
483.30783	10.8
501.31860	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	536.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.7
55.05500	12.2
56.86485	1.4
57.07053	2.3
67.05479	8.7
69.03403	2.3
69.07033	14.1
71.04943	3.3
75.63399	1.5
77.66207	1.5
79.05457	24.6
81.03393	1.9
81.07018	35.6
83.04942	9.4
83.08573	6.3
85.06490	3.1
91.05443	25.7
91.72404	1.7
93.07001	33.9
95.08568	41.3
97.02839	2.0
97.06480	3.3
97.10165	1.7
99.08058	11.2
104.46586	1.7
105.06998	59.2
107.08557	83.0
109.06492	6.8
109.10136	24.4
111.08036	12.0
111.11758	2.0
117.06965	11.6
119.08533	100.0
121.06461	2.6
121.10096	36.6
123.07997	9.3
123.11649	10.6
125.09551	1.7
129.06952	10.1
130.07840	1.8
131.08516	45.1
133.06435	6.2
133.10081	52.7
135.08015	10.6
135.11649	19.1
137.05902	2.2
137.09567	6.2
141.06946	2.4
142.07753	2.0
143.08516	22.4
145.10069	58.1
147.08020	7.3
147.11659	24.1
149.09581	10.0
149.13214	10.5
151.07535	2.0
155.08620	2.6
156.09283	7.6
157.10072	31.5
158.10873	2.8
158.72540	1.7
159.07947	2.1
159.11638	40.9
161.09552	9.6
161.13205	25.7
163.07472	6.9
163.11131	6.8
163.14755	7.2
165.09033	2.2
169.10031	6.5
170.10883	3.8
171.11638	24.0
173.09622	5.9
173.13191	37.2
175.11101	8.2
175.14825	14.9
177.09050	2.4
177.12697	2.9
177.16292	3.3
179.10664	2.3
179.14267	11.2
181.09985	2.7
182.10793	2.0
183.11638	11.0
184.12352	2.2
185.09653	2.0
185.13197	29.6
187.13194	2.5
187.14758	48.0
189.12645	12.7
189.16330	10.7
191.14188	6.8
195.11664	6.9
197.13188	7.9
199.11124	2.6
199.14751	32.4
201.12775	3.1
201.16319	17.3
203.14223	14.9
203.17744	2.2
209.13220	6.2
211.14769	8.9
213.12506	2.2
213.16267	14.8
215.14206	3.1
215.17818	2.8
217.15842	2.9
219.13695	3.5
225.16354	7.0
227.17815	3.3
229.15912	2.0
241.15631	3.5
241.19539	2.4
245.15154	7.0
255.15736	6.3
259.16760	2.3
334.64417	1.8
383.25375	7.0
391.29831	3.7
409.31021	2.5
419.29163	6.2
421.30612	9.5
437.30432	18.3
439.32056	31.3
455.31381	68.9
457.32916	20.8
465.29739	1.9
473.32321	24.3
483.30600	7.8
501.32013	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	536.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.0
57.03438	1.1
57.07049	2.9
57.62585	1.0
60.08153	14.5
63.22855	1.3
63.73687	1.1
67.05476	11.2
69.07033	10.9
71.07349	6.8
73.02911	1.1
79.05464	8.2
81.03407	1.1
81.07036	19.1
83.04964	1.8
83.08607	5.4
86.09679	53.0
91.05463	12.2
92.09319	1.3
93.07020	21.3
95.08575	28.3
95.47763	1.2
97.10139	1.2
98.98418	2.3
104.10709	65.4
105.07007	19.0
106.84801	1.1
107.08572	32.8
107.09287	1.4
109.06499	2.9
109.10140	13.8
111.08054	2.7
117.07003	2.5
119.08542	48.5
121.10102	26.8
123.08037	1.8
123.11652	5.4
124.99964	32.6
126.44363	1.7
129.07011	2.3
131.08531	21.1
133.10103	31.0
135.11635	17.4
137.09525	1.5
137.13251	2.6
139.07515	1.6
143.08521	9.5
145.10091	70.4
147.11659	20.5
149.13231	9.7
153.09093	2.7
156.09308	1.7
157.10077	13.4
158.10907	1.5
159.11649	29.9
161.09587	2.5
161.13193	17.7
163.11121	1.5
163.14775	5.7
165.09087	2.4
167.10553	1.6
171.11649	7.1
173.13194	35.2
175.11131	1.8
175.14769	14.7
177.16373	2.1
179.10646	5.0
181.12177	1.3
183.11697	5.9
184.07285	89.4
185.13177	20.6
187.14760	100.0
189.16339	9.8
191.14240	1.3
193.12119	1.5
199.14778	14.1
201.16319	28.3
203.14279	7.1
205.12086	1.5
205.15810	1.7
207.13855	1.8
211.14896	2.9
213.16351	10.7
217.15836	2.9
219.13829	2.4
221.15277	2.4
227.17918	3.0
229.19493	1.7
233.15321	2.5
235.16820	2.2
241.19530	1.9
247.16881	1.4
249.14740	1.5
380.23361	1.4
391.29691	5.8
391.46191	1.5
395.29276	6.5
409.30807	18.7
419.29324	8.6
437.30386	24.5
439.32190	1.8
455.25220	2.0
455.31390	49.2
465.29855	5.9
473.32278	5.8
483.30847	15.7
500.31387	4.6
501.31781	5.9
518.32263	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84309	0.3
53.94625	0.3
55.05484	0.9
57.06798	0.7
57.07055	10.9
58.56429	0.3
69.07029	0.9
79.05456	0.5
83.08526	0.4
91.05438	26.6
93.06979	1.7
97.06470	0.6
105.06987	13.9
106.06512	0.9
107.04893	0.4
107.08528	2.2
109.10122	0.4
117.06961	0.6
119.08537	19.5
119.09407	0.6
121.06456	5.3
121.10097	36.3
129.06996	0.4
131.08484	0.4
133.06436	2.2
133.09073	0.7
133.10081	20.1
142.07739	1.6
144.72729	0.3
145.06364	0.5
145.10078	2.2
147.08006	1.5
147.11641	30.8
149.09598	0.4
151.11110	0.8
157.10036	2.5
160.08762	2.0
163.11133	1.9
175.11111	20.8
175.56917	0.4
177.12714	0.7
177.29906	0.3
181.10049	2.0
193.90404	0.3
198.12703	15.6
254.53203	0.4
283.16818	100.0
284.17038	0.5
339.23056	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	536.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.4
53.03937	2.4
55.01853	2.7
55.05489	14.8
56.34481	1.4
57.03423	7.5
57.07055	70.9
61.02906	2.1
63.55087	1.3
64.32453	2.0
65.56718	1.5
66.18156	1.3
66.41595	1.5
67.05476	19.9
69.03403	12.1
69.07039	42.8
71.04964	27.6
79.05459	15.6
79.08658	1.6
81.07017	60.7
82.48462	1.6
83.04948	12.0
83.08604	6.2
85.02875	11.9
85.06505	35.4
86.13529	1.6
91.05430	16.0
92.09377	3.4
93.07001	100.0
95.04931	31.6
95.08561	54.2
95.09129	2.4
97.02850	2.2
97.06493	15.3
97.10114	2.3
99.08039	2.7
105.06982	27.0
107.08540	39.9
109.06491	6.6
109.10104	23.9
111.08065	11.2
115.88813	1.5
117.06979	2.8
119.08515	24.7
119.09144	1.3
121.06507	1.9
121.10092	58.8
123.08036	9.3
123.11694	11.1
125.05971	1.6
125.09600	11.6
127.11166	2.2
131.08488	12.0
133.10065	15.9
135.11618	19.1
136.38919	1.7
137.09605	7.7
137.13220	10.2
139.11121	18.0
143.08482	3.5
145.10046	27.1
145.10899	1.5
147.11667	11.7
149.09630	7.7
149.13225	2.7
151.11165	3.9
153.12692	3.9
155.10632	2.2
157.10110	6.9
159.11600	17.3
161.13203	6.6
163.11188	8.6
167.10585	11.8
169.10085	3.0
171.11700	3.6
173.13289	6.8
175.14742	3.6
177.12646	2.5
181.12155	3.1
185.13153	2.4
187.14766	7.7
199.13179	7.7
199.14821	6.9
201.16417	3.5
207.17415	2.1
211.14835	3.2
213.16354	2.6
217.15883	3.3
219.17474	2.3
229.15756	2.2
232.08163	1.8
243.32495	1.8
247.16901	1.8
267.21072	2.7
285.22095	10.7
292.55252	1.9
298.14606	1.9
303.23090	39.9
309.24191	7.7
314.07678	2.6
321.24106	85.8
321.27948	3.3
339.25034	17.0
359.07690	2.4
375.10468	19.6
518.91315	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	2.0
53.03922	2.5
55.01847	2.0
55.05499	8.9
57.03405	4.9
57.07041	1.6
59.04962	4.8
59.49168	0.8
60.95876	0.9
61.02886	1.3
62.27781	0.9
65.03918	1.3
67.05486	20.1
69.03410	13.5
69.07043	34.4
71.04961	24.3
79.05466	18.5
81.03385	1.5
81.07025	49.6
83.04926	1.3
83.08566	5.0
83.70203	1.0
85.02884	8.9
85.06499	2.6
87.04426	2.0
91.05450	15.0
93.07011	100.0
95.04334	2.0
95.04932	40.2
95.08575	43.7
97.06504	15.7
97.10135	2.1
105.06995	28.8
107.04909	1.4
107.08557	32.8
109.06466	10.6
109.10126	27.9
111.08041	13.0
111.11671	4.3
117.06999	1.9
119.08544	25.4
121.06435	2.5
121.10105	63.6
123.08025	7.8
123.11646	12.9
125.05998	1.1
125.09585	9.5
127.11138	5.4
131.08542	9.4
133.10106	12.6
135.07999	1.9
135.11656	21.9
137.09558	7.5
137.13185	2.5
139.11134	24.7
142.07713	1.7
143.08505	6.6
143.10652	2.2
145.02840	1.4
145.10081	21.8
147.11653	14.5
149.09570	5.6
149.13243	2.0
151.11096	2.1
153.12674	11.3
157.10091	13.7
159.11646	16.3
161.09491	1.7
161.13222	5.4
163.11171	8.5
165.12700	1.6
167.10628	2.1
169.10019	1.4
171.11588	2.2
173.13184	7.9
175.14780	2.0
177.12614	1.5
181.12169	11.6
187.14713	4.4
189.16302	2.1
191.14198	1.3
199.13196	5.1
199.14761	12.7
201.16302	2.3
203.50105	1.1
205.15868	2.2
211.14699	2.2
213.16315	2.8
215.17903	2.2
217.15891	2.7
229.69096	1.1
233.18896	1.2
235.16882	5.7
256.38168	1.1
257.22525	1.3
267.20969	2.3
281.00610	1.1
285.22028	25.0
291.23050	1.8
303.23105	31.7
309.24115	9.6
321.24124	85.7
329.06497	1.2
339.25104	14.6
342.07150	1.7
345.05899	1.6
358.01883	1.1
360.07977	1.3
375.10629	13.4
491.70895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47240	1.3
53.00288	1.7
53.03923	1.3
54.81279	1.3
55.05493	8.2
57.03416	7.3
57.07054	1.9
59.04985	13.6
65.03942	1.9
67.05486	17.9
69.03405	17.3
69.07042	14.4
71.04968	6.8
73.11488	1.7
74.11053	1.3
74.17229	1.3
79.05467	18.2
81.07030	60.8
83.04928	2.5
83.08575	8.8
85.02862	7.3
85.06524	2.1
87.04443	2.3
91.05432	16.5
93.07013	100.0
95.04937	69.2
95.08572	53.9
97.02839	1.7
97.06495	9.1
105.07004	25.7
107.08562	38.7
109.06492	5.9
109.10123	25.5
111.08043	14.9
113.09644	1.7
117.06966	2.2
119.08537	24.8
121.06465	2.5
121.10100	38.3
123.08022	7.7
123.11663	23.8
125.06004	2.2
125.09591	2.6
125.11801	1.3
131.08528	6.7
133.10069	10.6
135.11641	29.4
137.13231	6.0
139.07463	3.3
139.11127	28.6
142.07715	2.3
143.08522	5.4
144.09357	1.5
145.10103	17.3
147.11655	19.5
147.61163	1.3
149.09541	3.3
149.13255	5.8
151.11171	1.8
153.12708	2.0
157.08589	2.2
157.10104	7.9
159.11638	22.4
161.13211	11.6
163.11113	3.4
165.12643	2.3
167.10570	3.5
169.10088	5.8
171.11641	2.9
173.13205	7.3
177.12604	1.7
181.12300	2.2
183.11653	2.5
185.13223	1.9
188.04247	1.6
189.16386	2.0
191.14238	1.3
199.14780	6.8
201.16357	8.5
211.14778	2.7
213.16331	2.7
215.17946	5.9
225.16357	2.4
226.49228	1.4
227.17812	2.8
243.17360	3.0
256.09692	1.5
256.72327	1.6
267.20938	3.0
273.21973	2.9
285.22040	9.6
291.23145	9.2
303.23087	39.5
309.24280	15.5
321.24136	57.8
339.25403	1.8
526.22998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93512	1.0
70.02409	1.2
95.08578	1.7
102.97130	1.3
105.06995	1.4
107.08572	1.5
133.10028	1.9
136.44365	1.2
175.14702	1.2
446.45551	1.5
459.70627	1.4
495.30637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52573	1.1
53.00276	1.5
53.03910	2.0
55.01850	2.9
55.05494	18.5
57.03411	8.9
57.07058	19.6
59.04973	2.9
65.07973	1.1
65.47044	1.1
67.05475	28.8
69.03398	13.2
69.07041	49.4
71.04966	37.2
71.29600	1.3
73.06547	1.3
79.05459	29.3
81.03376	4.8
81.07025	93.0
83.04941	8.2
83.08587	6.9
85.02876	17.6
85.06521	10.7
91.05433	20.0
93.07008	100.0
95.04933	24.4
95.08567	76.1
97.02870	5.8
97.06504	13.7
97.10138	5.7
99.04424	1.4
99.08070	2.3
105.07001	33.9
107.04939	1.4
107.07811	1.8
107.08556	47.7
109.06477	13.4
109.10120	39.3
111.08026	6.4
111.11684	5.5
117.06977	3.0
119.08537	29.1
120.63752	1.2
121.06485	2.8
121.10101	74.6
123.08021	9.7
123.11662	73.2
123.12569	2.3
124.01835	1.3
125.05940	1.6
125.09602	6.3
127.03902	1.6
127.11152	6.7
131.08525	12.6
133.10088	16.2
135.08012	5.5
135.11639	23.9
136.40973	1.3
137.05917	1.2
137.09615	9.8
137.13235	10.3
139.11153	13.2
140.01526	1.3
143.08472	6.6
145.10065	23.4
147.08055	2.0
147.11636	14.5
148.58109	1.2
149.09581	9.1
149.13234	4.6
151.11150	6.5
153.12685	10.1
157.10085	7.7
159.11649	12.5
161.09563	1.9
161.13214	5.5
163.11095	9.6
163.14702	2.2
165.12708	2.6
167.10634	8.4
169.12236	1.8
171.11617	2.5
173.13197	8.6
175.11089	2.6
175.14757	5.2
177.12572	1.5
179.10626	1.3
181.12201	4.9
185.13191	2.2
187.14780	8.6
189.16353	5.9
191.14275	4.9
197.13197	2.1
199.13152	2.0
199.14769	8.4
201.16429	4.8
203.14328	1.5
205.15790	2.3
207.13768	2.1
211.14546	1.4
213.16312	2.3
215.17944	2.3
217.15805	2.0
231.17339	1.6
273.21915	1.5
277.21457	2.4
285.22006	7.6
303.23074	28.6
309.24155	6.3
321.24121	61.4
339.25165	53.1
383.03391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80628	0.4
55.05488	0.7
56.05014	0.4
59.88744	0.4
60.08140	8.9
64.62945	0.4
67.05466	2.5
69.03374	0.5
69.07026	1.7
71.07341	3.5
79.05440	0.9
81.07010	3.0
82.07339	0.4
85.06548	0.5
86.09673	46.7
91.05436	2.2
93.07023	3.2
95.04940	0.7
95.08568	3.7
97.06495	0.7
98.98414	4.4
104.10714	5.2
105.06979	2.3
107.08577	3.7
109.06477	0.5
109.10109	1.1
117.06976	0.7
119.08527	3.2
121.10064	1.9
123.55818	0.4
124.99959	31.3
131.08498	1.7
131.99922	0.4
133.10077	2.9
135.08058	0.6
135.11568	0.5
140.58476	0.4
142.03136	0.5
143.08504	1.0
144.72902	0.4
145.10068	2.6
147.11667	0.9
149.09523	0.6
157.10083	0.9
159.11621	1.9
161.09604	0.5
171.11597	0.6
173.13216	1.1
175.14658	0.5
180.83536	0.4
184.07274	100.0
185.07680	0.7
185.13202	0.9
187.14790	0.9
205.15794	0.6
209.30856	0.5
248.66370	0.4
287.05322	0.5
305.61362	0.4
437.30374	0.7
455.31311	1.0
500.31348	0.7
518.32324	7.4
536.30524	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	536.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23809	0.7
55.05481	4.1
56.05032	0.8
56.96538	1.0
57.07045	1.1
58.06578	0.8
59.04995	0.9
60.07878	0.9
60.08149	19.7
67.05491	8.5
69.07041	7.7
71.07350	8.3
79.05457	5.8
81.07030	11.9
83.08576	3.8
85.02853	1.2
86.09682	67.8
87.09969	0.8
91.05434	6.1
93.07019	13.6
95.08571	18.6
97.10146	1.3
98.98416	4.1
99.08052	1.5
104.10712	83.5
105.07005	11.7
105.67506	0.7
106.95473	0.8
107.08565	20.6
109.10120	7.5
111.08046	1.0
117.07027	1.1
119.08546	33.3
121.10112	19.7
123.08037	1.3
123.11645	1.9
124.99962	40.1
129.06912	0.8
131.08528	19.1
133.10098	18.5
135.07988	2.9
135.11661	9.7
137.09599	1.1
137.13170	3.4
143.08543	5.9
145.10091	46.6
146.10399	0.9
147.08022	1.0
147.11636	11.5
149.09619	1.0
149.13264	7.1
151.07367	0.8
151.11174	1.2
151.14706	0.8
153.09073	1.6
157.10100	8.0
159.11641	18.3
161.13213	10.7
163.14749	3.4
170.10858	1.0
171.11635	7.6
173.13197	20.3
174.13745	0.9
175.14769	9.3
177.16315	2.0
179.10602	1.8
181.12253	1.3
183.11630	5.1
184.07285	100.0
185.13203	11.6
187.14754	60.7
189.16434	5.7
191.14372	1.6
197.13129	0.9
199.14761	6.8
201.12645	1.9
201.16333	19.0
203.14290	1.7
207.13684	1.5
209.15359	1.3
210.68402	0.8
211.14836	1.3
213.16292	5.5
215.17885	1.0
217.15805	1.2
219.13667	3.1
221.15350	1.8
225.16335	1.0
227.14392	1.1
227.17860	4.1
239.17918	0.9
259.16922	1.1
279.20914	0.9
391.29913	1.8
395.29218	3.8
409.30923	11.2
419.29306	3.4
437.30429	16.8
441.29742	1.4
455.31461	33.1
465.29916	3.5
473.32327	4.3
483.30783	9.3
500.31085	5.3
501.31787	4.1
518.32275	35.9
519.32642	1.1
533.83051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48212	0.3
53.03931	3.6
55.01857	6.0
55.05478	0.5
57.03417	5.7
59.53776	0.3
61.02907	5.6
65.03905	2.3
65.71220	0.4
68.99756	2.1
69.03407	27.2
71.04966	3.0
73.02888	4.6
74.13353	0.4
81.03386	18.6
83.04971	0.8
85.02878	70.4
87.00797	31.1
87.04418	0.7
87.76478	0.4
91.03918	1.7
91.05446	100.0
92.05762	0.4
92.08710	0.6
92.81307	0.4
97.02855	24.8
99.00782	0.4
99.04411	8.4
103.03900	1.8
105.01832	28.3
105.07003	3.5
107.04916	1.7
107.08542	0.6
109.02848	19.5
111.04401	2.2
115.03905	2.0
117.01791	1.4
117.03250	0.4
117.06978	0.8
119.04866	1.5
123.02907	0.4
127.03871	36.9
129.01799	2.7
129.06992	2.1
133.06441	0.5
135.04362	1.5
135.11705	0.4
137.05888	0.7
137.09573	1.6
138.06221	0.4
139.03831	2.4
141.12659	0.4
143.08522	0.8
145.02885	0.5
145.04938	10.7
145.06439	2.3
147.02878	0.8
147.04396	2.5
151.78326	0.4
157.06464	1.5
159.02850	5.9
163.03825	3.4
163.11131	0.4
164.04088	0.5
171.08005	1.8
175.07527	0.8
181.04895	0.9
181.06371	0.6
187.03824	0.5
189.03836	2.8
195.06480	1.7
199.07513	2.0
207.13751	0.7
207.41841	0.4
213.03922	2.6
217.08542	2.4
231.04929	9.9
235.09705	0.6
239.06953	1.8
249.05983	5.6
267.06403	0.6
303.08606	0.6
308.06622	0.5
309.07523	0.6
321.09695	2.9
339.10645	2.5
402.94672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
55.01851	1.5
55.05498	3.2
62.67088	0.7
62.77259	0.6
65.03914	4.9
66.74064	0.7
67.05479	9.6
69.03404	11.8
71.84402	0.7
81.03387	3.4
83.04950	31.9
85.02875	13.4
87.04449	0.9
88.26007	0.9
89.03877	3.6
91.05441	16.8
93.03371	14.7
95.04935	13.3
97.02874	1.8
99.00784	11.4
99.04417	1.8
101.05988	0.9
107.04917	12.2
109.02847	3.8
111.04404	47.7
115.05383	0.8
117.01812	1.9
117.03330	9.4
119.04897	38.9
121.02830	10.4
121.06474	1.3
123.04340	1.5
129.05426	22.2
135.04375	26.1
136.04715	1.2
139.03862	23.2
139.04910	0.9
145.02805	17.2
146.03252	1.1
147.04367	100.0
147.06358	3.3
148.04640	0.8
153.06960	1.3
155.08513	1.9
155.11813	0.9
157.04887	13.5
163.03839	97.6
164.04167	8.6
164.07013	1.9
165.06868	6.6
167.06995	2.0
175.05963	12.9
175.07433	1.2
177.05316	2.9
179.08455	1.4
183.07950	8.2
189.06958	1.4
193.06816	1.8
193.12152	1.4
195.06464	1.0
207.08025	7.7
211.07513	5.5
217.06651	0.8
223.13123	1.0
227.05443	1.2
228.07640	1.0
229.08524	7.6
235.07449	13.9
235.09517	0.9
239.06886	4.0
247.09607	1.3
249.78717	0.8
249.81267	0.8
253.08446	6.5
263.06940	27.3
267.06439	2.0
268.09323	1.1
273.05957	18.8
281.07986	15.1
291.06577	5.9
309.07489	13.3
327.08371	1.1
339.14383	3.9
483.12955	9.2
501.13876	1.9
511.49188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97175	0.4
53.03929	5.2
55.01863	9.0
57.03420	7.1
61.02900	6.5
63.88618	0.5
68.99775	4.1
69.03405	40.7
71.01331	0.6
71.04961	5.7
73.02886	8.0
76.54678	0.5
81.03387	30.4
83.01316	1.0
83.04948	1.2
85.02878	100.0
87.00799	51.9
87.04425	0.7
91.03926	3.0
91.05444	21.6
97.02856	47.6
99.04419	16.2
101.02341	0.5
103.03896	0.8
105.01833	50.3
107.04913	0.8
109.02846	33.5
111.04476	0.8
111.49027	0.5
115.03898	2.3
117.01821	4.7
123.02876	0.5
123.04442	0.7
127.03871	64.3
129.01805	3.9
135.04425	0.6
139.03862	0.6
145.02937	0.7
145.04916	22.9
147.02864	0.8
147.04413	0.6
159.02838	13.5
163.03801	0.7
171.02754	0.8
177.03822	0.8
189.04013	2.1
213.03841	5.0
217.76376	0.5
231.04907	19.3
249.05966	13.0
253.07162	1.0
271.08188	1.0
357.07892	0.8
375.09247	0.9
393.10095	2.0
411.11008	0.6
503.84109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08788	0.3
55.01839	1.6
57.03409	0.5
61.02895	0.6
65.03907	0.3
65.78924	0.3
69.03395	2.2
70.48461	0.4
79.05429	0.4
81.03407	0.5
84.95992	0.4
85.02866	4.3
89.03868	0.9
91.05432	2.5
92.09262	0.5
93.03374	0.5
93.06997	0.4
95.01279	1.7
95.04916	0.4
97.02849	1.6
101.02345	0.4
103.05418	1.9
107.04919	1.5
111.04406	6.4
117.03364	3.3
119.04900	3.6
120.08059	34.3
123.04359	2.4
124.03889	2.2
124.07497	0.4
131.04839	2.8
135.04359	14.0
139.03851	20.8
141.01784	0.9
143.04843	0.6
145.02777	10.2
147.03197	0.8
147.04355	17.9
148.04739	0.5
149.02246	4.7
149.05928	1.6
151.03896	0.7
159.04335	1.5
161.05945	0.9
163.03835	100.0
164.04196	0.5
165.05385	0.7
166.08578	8.4
175.03822	2.2
177.01770	6.8
177.04044	0.5
177.05373	3.9
181.04874	6.1
187.03833	4.3
189.05333	2.9
191.03323	0.7
201.05431	0.6
203.03320	75.1
204.03587	0.4
205.04900	7.4
213.05385	1.6
215.03293	11.3
217.04738	0.5
219.02922	1.2
229.04955	3.0
231.02861	9.1
231.06302	0.6
233.04344	6.8
257.04257	0.7
259.06036	0.4
261.03857	6.8
266.67395	0.5
275.05396	1.7
279.04874	12.9
291.04840	11.5
303.04846	0.9
321.05978	6.4
339.06958	38.1
357.08026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02871	0.3
55.05476	0.4
57.03411	0.9
57.18583	0.4
57.52151	0.3
59.40564	0.3
67.05474	2.2
69.07032	0.5
71.04949	0.4
79.05466	3.0
81.03367	2.1
81.07027	3.5
83.04922	0.5
83.08604	0.7
85.02874	4.4
86.09669	0.7
91.05455	2.9
93.06999	1.9
95.04925	0.9
95.08556	1.6
97.06519	0.4
104.10696	0.4
105.07000	2.4
107.04916	0.6
107.08564	1.8
108.08922	0.4
111.04414	0.6
119.08543	2.8
121.10117	1.8
124.99957	0.7
129.07004	0.6
131.08537	0.7
133.10033	0.5
135.11673	0.6
139.03848	0.4
145.10126	0.8
147.11659	0.7
149.09579	0.7
157.10114	1.6
159.11646	0.4
161.13232	0.4
163.03909	0.7
173.13155	0.5
175.11095	0.6
184.07318	2.2
191.81302	0.4
211.13214	0.5
251.12439	7.9
285.16788	0.5
307.14990	5.8
358.14157	0.4
379.49789	0.4
472.31366	0.5
517.31329	0.8
518.32062	0.7
535.28613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01842	1.3
61.02904	0.4
62.14803	0.3
64.32201	0.4
65.03903	1.9
67.05477	0.4
69.03407	2.8
79.05445	1.7
85.02864	0.8
89.03886	5.3
91.05417	3.1
93.03378	3.5
95.04941	0.7
97.02833	0.4
98.97501	0.3
105.07010	0.4
107.04922	9.3
107.08512	0.4
111.04407	20.3
111.05186	0.7
117.03336	9.9
119.04894	2.3
121.02818	3.7
123.04388	0.4
127.03883	2.9
128.04153	0.3
129.05414	0.4
131.04883	0.7
131.08472	0.4
133.02794	0.5
135.04366	42.6
136.05122	1.6
136.65373	0.3
137.05905	3.9
139.03853	40.0
145.01709	0.7
145.02808	15.7
145.03952	0.6
145.06329	0.3
147.04379	1.3
151.03778	0.6
153.05351	0.7
159.04359	0.7
159.07939	1.4
161.02332	0.4
163.03839	100.0
164.89476	0.3
164.91049	0.3
167.07018	0.4
175.07356	0.6
181.04880	17.2
181.06493	0.6
181.68407	0.3
187.03922	0.8
187.07501	0.5
187.57996	0.3
189.01935	0.4
203.03375	0.7
205.04912	0.4
215.03307	0.5
221.08035	0.6
225.00632	1.2
243.01865	0.5
266.07791	0.5
279.06335	0.6
281.10104	0.8
293.08170	0.3
294.05084	0.7
295.05893	3.2
297.07465	6.2
302.61978	0.4
305.07364	0.4
307.05743	2.5
308.06662	0.5
309.07449	0.8
313.03775	0.8
321.07431	2.2
325.06964	3.0
331.04825	1.3
333.07364	1.7
335.09125	0.7
337.06967	1.6
343.07986	17.9
349.06503	2.9
351.08517	0.6
361.06909	0.5
363.08585	0.6
373.06720	0.8
373.12637	1.4
379.08011	2.8
391.07956	2.0
397.08923	1.2
403.08267	0.4
409.09048	1.8
415.08075	0.4
417.09335	0.4
427.10098	1.4
433.08948	1.4
451.10013	0.4
463.09845	0.4
469.11075	1.9
481.11230	2.9
499.12009	2.4
517.13110	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81519	1.9
55.01857	19.6
58.27477	2.8
61.02897	3.7
62.49277	2.3
81.03396	2.8
85.13660	2.4
98.23445	2.6
119.04881	19.1
121.02824	72.9
128.57416	2.4
145.02802	11.9
163.03860	3.8
171.04242	3.1
175.03703	2.5
177.01849	3.2
187.03870	4.5
189.01730	12.3
191.03299	6.1
195.02808	6.0
199.03777	3.4
203.03342	27.2
207.02826	14.2
215.03357	12.5
217.04829	13.0
219.02948	4.5
221.04355	13.2
227.03386	4.6
229.04875	4.1
241.04733	3.3
243.02754	8.9
243.06357	2.8
245.04318	6.0
255.02779	2.8
257.04346	3.1
268.07141	3.6
272.95609	2.9
273.04065	2.8
279.06403	5.8
281.07938	3.4
283.05893	5.0
285.21274	3.3
293.08011	5.7
294.05203	17.6
295.05878	95.5
296.06558	5.8
297.07358	10.3
305.07990	3.7
307.05859	69.6
307.09201	5.6
308.06677	21.1
309.07413	30.5
313.06854	3.7
317.08011	5.1
319.05957	10.6
320.06665	20.3
321.07462	80.4
322.04559	2.9
322.08029	5.8
323.09085	9.7
325.06937	57.1
329.08109	8.4
333.07416	50.3
334.08066	10.2
335.09058	28.9
337.06943	57.6
339.08502	5.3
345.07391	22.9
347.08920	12.2
349.06927	74.4
351.08527	29.3
359.09021	3.5
361.06894	37.8
363.08453	34.1
367.07983	10.8
373.06909	22.6
375.08496	19.8
377.10065	4.9
379.03128	3.7
379.07986	80.6
387.08450	13.4
389.10019	5.8
391.07910	67.8
393.09430	4.0
397.09061	38.2
399.08295	3.9
403.07886	20.2
405.09500	16.1
409.09012	50.6
415.08173	16.5
417.09506	5.1
427.10217	30.8
433.09024	36.6
445.09528	17.1
451.10089	30.6
463.10150	20.1
469.11121	57.4
481.11166	100.0
499.05368	4.3
499.12192	81.7
517.13226	42.9
535.14655	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	535.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	22.9
56.89328	2.8
61.02882	3.7
88.17340	3.2
91.94954	3.0
104.60872	3.2
119.04909	20.6
121.02827	85.5
131.04866	5.3
145.02805	8.3
147.04341	3.4
159.04471	3.2
160.42697	3.3
163.03830	4.7
167.06975	14.4
189.01743	16.1
191.03410	5.4
195.02835	8.0
195.25029	3.3
203.03294	30.9
205.04913	4.0
207.02817	12.7
215.03340	17.6
217.04861	11.4
219.02837	6.5
221.04414	4.3
233.04391	13.8
243.02849	6.2
249.11292	4.5
268.07220	4.8
277.08435	3.7
279.06451	6.1
281.07986	4.5
283.05887	8.0
293.07843	5.4
294.05112	17.6
295.05923	100.0
295.09155	4.0
296.06619	5.9
297.07535	7.8
297.88031	3.5
301.50372	3.9
305.07892	5.3
307.05942	76.7
307.09610	5.3
308.06488	26.7
309.07465	37.8
317.07971	6.4
319.06073	7.0
320.06522	15.0
321.07471	83.3
322.08276	12.6
323.05640	4.6
323.09167	14.5
325.06949	74.3
329.08087	4.9
333.07416	52.2
334.08374	7.0
335.05386	4.5
335.09070	31.8
337.06989	63.0
345.07416	30.5
347.09030	14.0
349.06946	65.7
351.08484	35.3
359.08810	4.3
361.06976	43.2
363.08435	41.7
367.07980	12.9
373.06952	15.9
375.08478	15.2
379.07974	86.5
387.08478	6.2
391.07880	76.0
393.09409	5.6
397.09137	28.5
399.07849	4.1
403.08017	17.1
403.85855	4.0
405.09488	15.9
409.09009	60.6
415.08316	16.9
417.09677	7.5
421.08810	4.6
427.10098	31.7
433.09149	36.7
445.09329	23.1
451.10065	20.4
463.09937	20.4
469.11069	52.5
481.11102	71.2
499.12088	78.6
517.13281	26.7
535.14221	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	535.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	23.9
61.02889	2.5
66.58987	1.8
67.05461	2.8
81.03378	2.4
81.08473	1.8
82.23344	2.1
83.04950	3.9
85.02870	3.5
92.09355	4.6
93.03392	2.7
94.48148	1.9
95.04937	5.3
97.02888	2.5
107.04946	4.7
111.03662	1.9
111.04395	16.5
115.05444	3.2
119.04910	19.2
121.02820	84.6
123.04318	2.7
129.05403	8.4
135.04362	11.4
137.02292	4.0
137.05940	8.7
137.61378	2.8
139.03816	3.8
143.04794	2.1
145.02788	15.6
147.04382	3.1
147.06490	2.3
157.04892	2.4
161.05905	3.0
163.03848	37.5
164.04184	3.7
171.04382	2.4
173.02316	2.3
175.03827	2.9
177.01736	2.2
179.03392	3.3
181.06458	2.8
187.03896	4.8
189.01779	14.2
191.03343	13.1
193.06943	2.4
195.02824	15.8
197.06152	2.5
203.03326	27.4
205.04814	2.2
207.02797	12.9
212.08009	2.2
213.05429	3.2
215.03302	20.0
215.81306	2.0
217.04855	11.6
219.02791	3.9
221.04346	10.1
223.07321	2.3
225.03737	2.3
227.03320	2.3
229.04941	2.6
231.02846	3.9
233.04320	9.7
237.05382	11.6
238.05721	2.3
239.03242	2.8
241.04886	13.8
243.02742	10.9
245.04382	9.3
250.06348	2.4
251.06909	9.7
261.03867	3.2
262.04367	2.4
263.06934	2.3
265.04807	4.7
266.05136	4.4
267.06403	4.9
268.07120	3.8
279.06430	8.8
281.08072	2.8
283.05914	24.5
284.06284	9.1
291.06558	2.6
292.07251	3.5
293.08069	2.8
294.05057	21.1
295.05905	100.0
295.09293	3.4
296.06564	10.1
297.07471	11.7
305.07974	4.3
307.05927	77.5
308.06680	24.1
309.07419	35.7
317.07867	9.5
318.08563	2.9
319.05829	10.7
320.06689	13.3
321.07480	79.2
322.08258	10.6
323.08957	12.7
325.06918	75.3
326.07291	3.7
329.08002	9.6
333.07468	56.6
334.08145	9.1
335.05557	3.1
335.09052	36.4
337.06952	59.2
339.08600	5.3
345.07358	25.5
347.09113	13.5
349.06924	71.1
349.10938	4.0
351.08521	31.3
355.07980	4.5
358.08145	3.0
359.09055	8.7
361.06915	41.7
361.10938	3.9
363.08484	35.4
367.07922	16.1
369.00336	2.6
371.08826	4.0
373.06824	24.1
375.08493	27.6
377.09979	5.1
379.07977	72.2
387.08469	15.3
389.10092	8.6
391.07938	59.3
393.09348	3.9
397.09052	28.2
399.08215	9.3
403.07892	20.1
405.09579	15.8
409.09039	55.1
415.08411	11.1
417.09427	14.1
421.09140	3.6
427.10172	31.8
433.09067	45.2
445.09058	19.0
451.10074	38.1
463.10089	22.1
469.10941	49.1
481.04288	3.5
481.11081	92.3
499.12201	75.7
517.13458	21.5
535.14075	8.3
536.90027	2.3
556.18823	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	535.1075
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03922	0.4
54.81403	0.1
55.01834	0.2
55.05487	0.6
57.03419	0.7
67.01836	0.3
67.05471	0.9
68.99773	0.4
69.03407	2.9
69.07043	0.3
71.01282	0.1
71.04963	1.0
73.79740	0.1
74.79948	0.1
79.05460	0.7
79.99490	0.1
81.03391	1.8
81.07027	1.3
83.04920	0.3
85.02885	3.5
85.06499	0.3
87.00798	0.5
87.04433	0.3
87.34296	0.1
91.05447	0.8
93.07023	1.5
95.04930	0.7
95.08577	1.2
96.29554	0.1
97.02835	1.2
97.06490	0.3
99.04423	0.6
99.08031	0.1
103.03867	0.1
105.06997	0.8
107.04911	0.1
107.08561	1.1
109.02848	1.1
109.06476	0.2
109.10123	1.0
111.08054	0.2
115.03892	0.9
117.03377	0.2
119.08536	1.0
121.06478	0.2
121.10090	1.2
123.08010	0.3
123.11686	0.2
125.09566	0.3
127.03860	1.6
127.11198	0.2
129.01749	0.2
131.05045	0.2
131.08516	0.3
133.10089	0.5
135.04381	2.8
135.11603	0.3
137.02292	0.3
137.05963	0.2
137.09534	0.1
139.03847	0.1
143.10744	0.2
145.02797	0.2
145.04918	0.6
145.10077	0.6
147.04314	0.2
147.11607	0.3
147.78360	0.1
151.03867	0.2
153.01782	6.4
157.10072	0.3
159.11636	0.3
161.02281	0.8
161.09544	0.1
163.03854	0.6
167.06966	0.2
171.02835	0.9
173.13249	0.2
179.03346	0.3
187.14839	0.2
203.03218	0.2
213.05441	0.2
213.63452	0.1
219.06493	0.2
220.24622	0.1
233.15207	0.2
237.61595	0.2
241.04900	0.8
245.04288	0.2
258.05087	0.2
259.05807	0.2
269.04340	0.6
276.56818	0.1
286.04568	0.2
287.05408	100.0
288.05688	0.9
296.54904	0.2
301.21597	0.3
303.04858	0.3
319.22473	0.3
337.23657	0.3
449.10602	6.4
491.11868	1.7
517.09534	1.4
535.10687	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	535.1073
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.91320	0.1
53.03917	0.1
55.01846	0.5
67.01824	0.5
67.05480	0.2
67.85366	0.1
68.99752	0.3
69.03397	0.8
71.04944	0.2
79.05442	0.3
81.03374	0.3
81.07014	0.1
85.02863	0.5
87.00814	0.2
89.03876	0.1
91.05428	0.3
93.07003	0.5
95.04915	0.2
97.02843	0.2
97.06519	0.1
101.25460	0.1
102.48054	0.1
105.06973	0.6
107.04929	0.2
107.08575	0.3
109.02881	0.2
111.00736	0.1
111.04386	0.2
119.08525	0.5
121.02827	0.5
121.10100	0.1
127.03869	0.2
131.04910	0.2
133.10098	0.3
134.10516	0.2
135.04375	2.0
135.08000	0.1
137.02286	0.6
137.05919	3.3
137.09586	0.3
143.08504	0.1
143.48732	0.1
145.02806	0.2
151.03819	0.2
153.01775	5.6
154.20859	0.1
157.14099	0.1
159.02901	0.2
161.02283	0.8
161.05936	0.2
163.03857	0.2
167.07036	0.4
171.02841	0.9
175.07529	0.2
179.03424	0.2
203.03290	0.2
213.05399	0.2
241.04953	0.5
241.08365	0.1
269.04340	0.5
287.05392	100.0
288.05664	0.6
295.06091	0.4
307.05859	0.2
319.22684	0.2
321.07565	0.2
331.53046	0.1
333.07217	0.2
337.23563	0.2
349.06998	0.2
361.06998	0.2
373.12897	0.2
449.10849	1.0
481.11209	0.2
535.10492	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	19.7
57.07038	5.1
64.32668	5.4
67.05469	19.3
69.07033	7.6
77.70994	4.2
79.05452	22.7
81.07015	23.2
83.08563	6.2
86.44333	4.3
87.00333	4.4
91.05439	23.8
93.06502	4.7
93.07012	43.8
95.08566	45.6
97.10159	5.8
98.07185	5.4
99.08044	19.2
105.06984	47.9
107.08556	100.0
109.10147	33.9
113.05988	5.0
115.07410	5.6
117.06976	9.9
119.08524	67.4
121.10122	36.7
121.26573	4.9
123.08088	6.2
123.11661	10.3
127.07428	5.4
131.08502	33.6
133.10081	65.3
135.07974	4.4
135.11670	10.0
137.13280	5.1
143.08475	11.0
145.10068	39.9
147.11609	28.2
149.13219	10.8
157.10088	21.9
158.66428	5.0
159.11632	36.9
161.13199	23.4
163.14742	5.6
171.11644	7.8
173.13206	32.7
175.14740	6.7
177.12680	9.0
183.11615	8.8
185.13223	22.8
187.14787	45.4
197.13130	8.7
199.14766	11.3
201.16306	8.2
213.16214	11.1
223.14864	5.1
265.17770	11.1
271.20435	6.8
279.19437	9.4
293.20966	8.3
307.72702	4.6
369.31049	6.3
387.28821	7.8
399.28711	18.8
453.33386	32.3
471.34503	63.9
499.33643	31.9
517.34589	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	534.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34731	1.4
52.75120	1.3
54.83118	1.7
55.01849	2.2
55.05490	18.3
55.50005	1.5
56.96542	1.9
57.03416	7.8
57.07043	2.6
57.46220	1.6
57.59464	1.5
59.04976	3.2
61.02890	2.9
67.05190	2.0
67.05486	26.3
69.03395	18.5
69.07033	24.5
70.81666	1.4
71.04967	37.1
73.02885	2.2
73.06499	1.7
79.05448	17.7
81.03380	3.8
81.07021	49.3
83.04923	4.0
83.08595	13.6
85.02883	20.0
85.05095	1.6
85.06496	4.0
87.04435	2.8
91.05447	16.0
93.07012	51.6
94.07327	1.9
95.04920	16.7
95.08566	41.5
97.02870	9.5
97.06479	14.2
97.10130	2.1
99.04428	2.0
99.08066	7.2
99.96362	1.7
105.03362	9.1
105.06991	48.3
107.08562	40.7
109.06467	10.1
109.10123	69.7
111.04397	2.3
111.08038	3.7
113.05897	1.8
116.98512	2.0
117.06969	3.8
119.08539	41.2
121.06449	14.1
121.10098	78.3
122.10398	1.7
123.04356	4.3
123.08034	7.5
123.11659	30.8
125.09594	20.8
127.03892	2.6
127.07539	2.5
127.11159	8.9
128.06155	1.9
131.08517	17.2
133.10074	38.7
135.04335	3.6
135.08035	8.7
135.11656	21.0
137.05965	3.7
137.09544	36.5
137.13234	2.9
139.11111	16.0
142.07782	2.0
143.08530	12.2
143.10600	4.0
145.10081	30.7
147.08000	10.9
147.11621	21.4
149.09581	14.6
151.11137	10.1
153.12689	9.5
155.08488	6.5
155.10646	3.4
156.09250	2.8
157.10088	17.2
159.08041	2.2
159.11633	16.9
161.09554	36.4
161.13200	7.5
163.03915	3.7
163.11183	13.2
165.09102	15.9
165.12729	2.0
167.10637	2.6
169.10066	7.4
171.10347	2.0
171.11598	18.2
173.09532	15.3
173.13197	24.7
175.11108	25.1
175.14801	7.5
179.10632	7.2
181.12160	2.0
182.10828	2.3
185.13167	7.8
187.11177	4.3
187.14706	16.7
189.12669	7.0
193.12148	2.3
197.13147	13.9
199.11052	3.0
199.14737	7.7
201.12672	3.6
201.16289	2.5
202.52634	1.7
203.14232	10.5
205.12172	3.0
205.15819	3.2
211.14760	3.0
211.37994	2.2
212.15550	2.1
213.12683	7.5
213.16322	17.9
215.14278	27.8
227.14214	3.5
231.17339	25.5
233.15233	2.8
241.19366	2.3
255.20988	4.4
273.22025	4.0
283.20419	18.6
285.09949	7.8
301.21509	94.2
319.22562	100.0
337.23575	21.5
480.04132	1.9
555.98688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01846	0.8
55.05491	1.9
57.03407	1.9
59.04966	0.3
61.02895	0.8
62.71638	0.1
67.05477	3.8
69.03406	3.3
69.06673	0.3
69.07039	6.9
70.11840	0.2
71.04961	2.6
73.02872	0.3
76.04860	0.2
79.05466	3.5
81.03387	1.0
81.07021	7.6
83.04948	0.8
83.08568	0.7
83.32340	0.2
85.02873	6.6
87.04435	0.3
90.61743	0.2
91.03902	0.2
91.05442	2.8
92.09295	0.4
93.07008	14.9
95.04920	4.9
95.08566	16.3
97.02858	2.1
97.06479	1.7
97.10140	0.3
99.04416	0.4
99.08072	0.4
103.12169	0.2
105.06988	4.1
107.04885	0.3
107.08556	4.7
109.02817	0.4
109.06490	2.5
109.10123	5.8
111.08027	0.5
111.11687	0.9
117.06958	0.4
119.08528	6.8
121.06463	0.8
121.10092	9.3
122.07263	0.4
122.31570	0.2
123.08015	2.5
123.11658	1.0
125.09568	1.8
127.03881	1.2
131.08510	2.0
133.10059	3.0
135.07993	1.6
135.11615	1.6
137.09567	100.0
138.09885	0.4
139.11125	2.3
141.09074	0.3
142.07925	0.2
143.08516	1.1
143.10629	1.4
145.04890	0.7
145.10083	2.8
147.11629	1.3
149.09573	2.3
149.13257	0.3
151.11128	1.9
157.10075	1.0
159.11687	1.9
161.09512	1.5
161.13228	1.2
163.11165	0.9
167.10623	2.5
169.10066	0.3
171.11604	1.0
173.13248	1.0
175.11169	0.4
177.12701	0.4
179.10634	1.0
181.10097	0.2
185.13196	0.7
187.14799	0.9
189.12614	0.4
191.14342	0.2
197.13280	0.4
199.14789	0.8
203.14304	0.2
205.12212	0.7
205.15981	0.3
213.16304	0.4
215.14389	0.2
221.15259	0.2
231.17384	0.3
233.15350	0.4
251.21593	0.2
271.31876	0.2
273.22232	0.2
283.20367	1.0
287.05435	1.1
288.70599	0.2
301.21509	3.1
307.22351	0.3
319.19495	0.2
319.22552	12.5
337.23599	40.6
338.23764	0.6
355.24600	1.6
499.28659	1.9
517.30005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
61.02900	0.3
63.02336	0.2
65.29900	0.1
69.03401	1.1
71.04913	0.2
78.67665	0.1
79.05435	0.4
81.03378	0.2
83.04951	0.5
85.02876	2.2
89.03876	3.0
95.04920	0.3
96.59383	0.2
97.02881	1.6
99.04402	0.2
107.04900	1.5
109.02776	0.2
111.04404	0.8
111.65952	0.2
112.36024	0.2
117.03330	6.1
119.04900	0.2
123.04305	0.2
127.03899	0.2
129.05405	0.3
135.04366	17.7
140.82986	0.1
142.21468	0.2
145.02798	14.1
145.04712	0.4
147.04379	0.3
147.06577	0.2
147.21620	0.2
163.03841	100.0
164.04176	0.3
181.04890	0.2
187.03841	0.3
188.07707	0.2
193.06976	0.9
207.07974	0.2
221.05888	0.3
222.64027	0.2
223.07491	0.7
233.05800	0.3
250.05675	0.2
251.06967	1.1
269.08112	0.2
279.06512	0.3
295.06073	0.5
296.06097	0.6
297.07529	0.2
325.06885	0.3
325.53915	0.2
355.10007	1.7
471.97678	0.2
545.96893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69784	0.2
51.98032	0.2
55.01853	3.8
57.43671	0.2
65.03913	0.3
67.05467	0.6
68.22887	0.3
68.99741	0.4
69.03378	0.4
69.78965	0.3
71.36415	0.2
77.62332	0.3
79.05469	1.0
81.03342	0.3
83.04955	2.4
83.05390	0.2
85.02875	1.2
89.03878	3.6
90.57928	0.2
91.05424	0.3
92.70868	0.3
93.03336	0.3
95.04910	1.1
97.02831	2.3
106.90755	0.3
107.04920	2.4
109.02804	0.3
111.04404	1.9
115.05428	0.4
117.03332	5.7
119.04878	0.5
121.02827	0.4
122.03627	0.3
131.04854	1.6
135.04358	17.3
137.02292	15.5
137.05914	8.9
139.03856	0.4
143.04890	0.4
145.02794	15.6
147.04346	2.3
149.05898	0.5
153.06944	0.5
159.04356	6.7
161.05865	0.6
163.03836	100.0
164.04167	0.4
165.06953	1.0
173.02258	0.4
177.05386	0.7
181.04947	0.5
181.06413	7.0
187.03818	2.5
189.05377	4.9
193.06421	0.4
199.07487	0.3
205.06497	0.5
206.06711	0.4
209.05898	18.4
211.07486	0.5
212.07695	0.3
213.05412	5.9
215.03281	2.5
221.05977	1.0
222.06219	0.7
223.07397	1.6
224.07771	0.4
225.05463	0.3
226.05942	0.4
227.06943	3.5
233.04169	0.5
233.06169	0.4
237.05370	35.0
241.04860	27.8
249.05400	1.2
250.05759	0.6
251.06796	1.4
252.07217	0.3
255.06413	10.6
265.04846	32.9
266.05176	0.5
267.06403	0.3
268.06747	0.3
269.07880	0.4
271.09561	1.6
281.04428	0.4
283.05896	53.0
284.06287	0.4
295.05960	3.5
296.06216	3.3
313.06558	0.4
315.12173	0.5
323.05472	0.4
324.05615	0.4
325.06934	26.4
341.06369	0.4
349.06747	0.3
379.07742	0.3
504.97510	0.3
533.21924	2.0
534.21967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01853	19.1
55.05492	75.8
55.85553	2.0
57.03415	18.6
57.07058	2.5
59.04987	2.4
67.05474	92.3
67.05798	3.3
69.03433	5.2
69.07052	26.6
71.04987	9.7
79.05454	82.1
81.03382	19.7
81.07022	77.3
81.07492	3.5
83.01311	2.6
83.04937	25.8
83.08574	30.7
85.02900	4.9
91.05443	59.1
91.05931	3.1
93.06998	84.6
95.04945	18.0
95.08568	42.7
97.06509	5.7
97.10123	39.2
103.05401	3.2
103.85317	2.9
105.06995	52.7
107.04943	10.2
107.08554	50.0
109.06503	5.9
109.10117	22.8
111.04419	10.4
111.08069	11.8
115.05418	3.9
117.06986	31.9
119.08537	46.0
121.06503	10.8
121.10088	31.9
123.08043	6.0
123.11689	4.2
125.09563	26.3
128.06195	2.7
129.06946	20.1
130.07729	2.5
131.08522	50.1
131.09422	2.7
133.10075	34.7
135.08017	5.6
135.11671	23.3
137.13202	2.5
141.06958	4.6
143.08563	17.0
145.06519	2.7
145.10066	41.0
147.08121	3.2
147.11661	21.9
149.09517	4.8
149.13211	5.9
153.09129	3.6
153.12744	10.8
155.08527	5.9
157.10152	16.6
159.11641	20.7
161.13252	5.3
163.11133	22.1
167.08499	2.6
169.10081	11.1
171.07985	2.9
171.11696	14.8
173.09663	3.8
173.13257	13.6
177.12738	3.4
178.67685	2.7
181.10144	4.0
181.12199	4.3
183.11688	12.0
185.13240	11.7
187.14737	4.8
189.11192	10.5
191.10643	4.2
193.12134	4.3
197.13362	3.0
210.22014	3.2
213.16389	11.3
215.17915	5.9
227.12639	30.6
231.17615	2.7
233.18942	4.7
235.14743	2.7
253.19547	2.9
269.18738	2.9
271.20557	11.5
283.15244	18.9
305.21066	3.7
307.22672	4.7
348.48102	2.6
405.27963	4.6
423.28802	13.6
429.29520	2.7
441.29675	14.1
497.32651	19.5
515.33423	100.0
533.34601	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	533.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80820	0.5
54.81105	0.5
55.01870	0.5
55.05486	2.1
57.03411	1.0
67.05471	3.1
79.05460	2.0
81.03383	1.3
81.07023	2.4
83.04934	0.9
83.08590	2.1
85.02866	0.9
91.05441	3.2
93.07011	3.1
95.04919	1.1
95.08557	2.2
98.47364	0.5
105.06987	2.2
107.08562	2.1
109.06466	0.6
109.10150	0.9
119.08511	3.9
121.10107	1.2
129.06921	0.6
131.08492	0.8
133.10091	1.0
135.11670	0.9
145.10107	1.1
147.11687	0.9
159.07924	0.6
159.11659	0.8
193.12236	0.5
249.10966	2.4
251.12479	3.6
256.31421	0.6
305.13461	3.4
307.15234	5.4
307.39813	0.5
380.65988	0.6
533.27002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2556
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
55.05478	0.4
56.97095	0.3
57.03407	1.6
58.61964	0.2
61.02920	0.4
61.43274	0.3
69.03413	0.4
69.07045	0.7
71.04971	0.7
73.02882	1.6
81.07012	1.7
85.02868	0.4
87.04415	0.5
91.05470	0.5
93.06999	1.7
95.04938	0.5
95.08582	0.8
97.02833	0.3
97.06514	0.4
105.06995	0.6
107.08550	1.5
109.10156	0.5
109.70811	0.3
119.08547	0.4
121.10096	1.9
121.85660	0.3
123.07965	0.3
123.11696	0.5
135.07977	0.3
145.10062	0.5
147.11676	0.4
149.09618	0.5
163.03839	0.5
169.85347	0.3
313.16043	2.0
317.08444	1.3
317.21066	0.6
335.09436	2.4
335.22104	0.7
401.21228	0.5
430.97198	0.4
445.20285	38.8
532.35028	0.7
533.25500	100.0
534.25818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74148	0.2
54.81070	0.2
55.05455	0.2
56.96499	0.2
57.03368	0.9
57.07017	0.3
61.02863	0.4
67.05436	0.4
69.03339	0.8
69.06987	1.0
71.04909	1.1
71.05247	0.2
73.02877	1.6
77.25551	0.2
79.05393	1.0
81.07024	1.7
83.04929	0.5
83.08537	0.2
85.02803	1.0
85.87723	0.2
87.83270	0.2
91.05431	0.5
93.07030	1.5
94.07245	0.2
95.04878	1.0
95.08582	1.4
97.02782	0.8
97.06429	0.3
105.06928	1.1
107.08488	1.2
109.06404	0.2
109.10033	1.0
111.07966	0.3
114.52400	0.2
119.08435	1.0
121.06394	0.2
121.10094	2.2
122.10317	0.3
123.11605	0.4
125.09515	0.4
127.03770	0.2
131.08455	0.4
131.39479	0.2
133.10014	0.5
135.07907	0.3
135.11523	0.3
137.09544	0.2
139.11082	0.4
143.08331	0.2
143.10631	0.7
145.10036	0.8
147.11548	0.4
149.09482	1.0
151.11098	0.3
157.10037	0.3
163.03751	1.1
173.05930	0.2
177.08928	1.0
248.90082	0.2
299.19937	0.2
300.20261	0.3
313.16177	2.1
317.08310	1.3
317.20920	1.1
318.21249	0.4
335.09302	3.6
335.21991	1.2
336.22379	0.9
401.21356	1.1
445.20276	37.3
446.20654	0.3
532.34772	1.3
533.25494	100.0
534.26221	1.5
543.42023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76347	1.4
67.05524	1.4
69.03381	2.1
83.00241	1.3
83.04926	2.0
85.02894	2.7
95.04978	2.0
111.04401	2.2
115.28127	1.4
135.04369	1.9
137.02345	1.8
159.04404	1.8
160.05185	11.6
161.05914	3.1
163.03877	11.6
165.06938	1.5
167.07051	1.5
173.08168	1.6
177.06989	2.3
181.06413	10.0
187.03877	6.7
195.07988	6.6
205.06387	20.2
221.05899	35.7
223.07471	50.7
233.05959	11.4
234.75392	1.5
239.06992	2.4
249.05374	32.7
251.06946	47.8
267.06506	2.6
269.07980	26.7
277.04871	9.6
285.07428	6.6
295.05905	100.0
297.07578	1.6
313.06955	30.3
323.05350	5.9
341.06607	6.6
359.26297	1.5
450.11700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.2
55.20765	2.2
57.07032	2.4
67.05471	5.9
69.07033	10.9
71.04949	2.3
79.05447	11.6
81.07022	20.3
83.08594	3.8
91.05423	3.2
93.07019	16.7
95.08565	32.1
97.10135	2.9
105.06985	23.2
107.08563	26.3
109.10108	22.3
111.08045	17.5
119.08542	32.7
121.10110	30.0
123.08017	3.9
123.11678	4.9
129.06924	3.8
129.08972	2.7
129.09921	2.4
131.08493	14.2
133.10085	23.2
135.07985	11.4
135.11618	15.7
137.09537	4.6
141.20145	2.3
143.08542	3.3
145.10069	36.6
147.11609	17.2
149.13174	5.8
157.10060	9.0
159.11658	18.6
160.22446	2.4
161.09552	4.2
161.13214	14.8
163.14745	10.9
169.10022	2.7
171.11592	3.9
173.13184	5.1
175.11223	3.4
175.14783	23.1
177.16318	16.0
185.13252	4.9
187.14749	77.2
189.16318	32.7
193.15698	3.3
199.14745	5.3
201.16284	18.0
203.14310	4.4
203.17877	3.5
213.16321	16.6
215.17868	9.9
225.16145	3.5
235.16821	2.7
241.19371	13.5
247.16771	2.8
267.20972	4.2
333.25494	3.2
367.29648	5.1
391.29831	12.0
409.30905	45.1
409.45547	2.7
411.32477	5.5
419.29214	4.8
437.30255	17.9
451.31781	4.0
455.31201	17.5
469.32700	4.2
515.33502	100.0
532.36487	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	532.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.9
53.03922	3.4
54.80513	1.6
55.05495	19.0
57.03182	1.9
57.03421	28.5
57.07048	1.9
59.04973	1.4
59.78812	1.4
60.04492	1.4
61.02888	6.6
64.32040	1.7
65.03922	3.1
67.05484	35.9
69.03407	40.0
69.07045	26.2
70.24109	1.3
71.01324	1.6
73.02499	2.2
73.02888	44.3
75.77742	1.6
77.77370	1.5
79.05462	44.4
81.03380	3.3
81.07024	72.0
83.04918	2.0
83.08593	2.5
85.02876	34.1
85.94772	1.4
86.09666	6.9
87.04432	13.1
91.05447	55.6
93.07006	59.1
95.04944	10.9
95.08569	64.4
97.02856	30.1
97.10166	2.5
102.90588	1.5
104.10692	2.7
105.07001	100.0
107.08560	51.1
109.06497	1.6
109.10126	44.0
115.03890	24.6
117.06976	3.1
119.08541	66.2
121.10085	20.1
123.11669	14.4
124.99973	1.6
127.03902	5.4
129.70697	1.5
131.08514	3.6
133.04933	15.3
133.10080	35.5
135.11650	19.3
145.04941	2.6
145.10074	8.9
147.11639	49.6
150.07581	6.0
159.11613	3.7
161.13170	13.7
176.09795	1.5
184.07292	9.4
193.80353	1.8
203.17868	15.0
259.08130	1.6
305.63248	1.7
380.30771	1.8
532.29596	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21505	0.8
53.00278	0.9
53.03930	1.1
55.01846	2.5
55.05494	10.1
56.96553	1.4
57.03190	1.2
57.03420	19.9
57.07047	2.5
59.04967	2.2
60.04484	1.6
61.02887	1.5
62.14098	0.9
67.05485	17.7
69.03407	43.2
69.07038	13.3
73.02886	12.6
75.04440	2.1
78.20148	1.0
79.02833	1.1
79.05457	12.8
81.03362	7.8
81.07024	44.4
83.04932	1.3
83.08593	2.1
85.02878	40.8
85.32832	1.1
86.09689	4.0
87.04436	25.4
91.03909	1.8
91.05438	23.2
92.08699	2.7
93.07007	27.6
95.04916	1.6
95.08569	48.5
97.02856	38.0
97.06460	1.5
99.04404	1.4
103.08508	1.0
105.06995	68.2
106.07378	1.0
107.04894	1.5
107.08559	33.6
109.06474	1.2
109.10123	36.6
115.03892	34.3
115.30315	1.1
117.06957	2.4
119.08538	59.5
121.10108	19.3
123.04379	1.6
123.11649	11.8
124.99977	1.5
125.99155	1.1
127.03886	4.8
131.08527	1.6
133.04916	21.6
133.10080	32.9
135.07993	1.1
135.11636	11.5
135.30136	1.1
137.09479	1.6
137.13211	10.5
143.08539	1.2
145.04890	5.2
145.10068	2.5
147.11641	74.6
149.13127	1.6
150.07625	2.5
157.10065	1.9
159.11630	1.9
160.12299	1.5
161.13202	16.1
163.03917	1.7
163.05965	1.3
175.14723	4.8
184.07271	4.3
189.16216	1.2
203.17892	100.0
221.18973	1.7
241.07005	1.3
259.08032	2.4
295.10107	4.6
335.22003	1.7
424.88495	1.4
531.35156	1.6
532.19647	1.5
532.35699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	1.1
53.03928	5.7
55.01841	1.7
55.05492	10.2
57.03419	14.8
57.07058	1.4
58.71449	1.0
59.04975	1.0
60.04498	1.1
60.85955	0.9
61.02904	1.6
65.03910	1.6
67.05479	25.7
69.03405	42.5
69.07041	18.4
72.59187	0.9
73.02884	15.5
75.04458	1.1
77.94591	0.9
79.05460	30.8
81.03392	2.6
81.07025	100.0
83.08571	1.9
85.02874	31.0
86.09664	4.3
87.04432	15.7
91.05446	26.0
92.09389	1.8
93.07005	25.6
95.04943	4.5
95.08563	37.6
97.02851	29.4
97.06466	1.4
99.04433	2.2
103.05429	1.2
104.10706	6.4
105.04350	1.0
105.06996	79.0
107.08556	25.8
109.06497	2.2
109.10118	33.9
111.11694	1.8
114.35030	1.1
115.03174	1.6
115.03890	23.4
117.06979	5.6
119.08539	52.0
121.10089	20.7
123.07962	3.5
123.11653	10.7
124.91530	1.1
124.99946	1.9
127.03934	2.5
131.08539	4.3
133.04926	17.7
133.06436	1.4
133.10091	23.9
135.08020	1.4
135.11624	7.7
136.76131	1.0
143.08562	2.2
144.06462	1.1
145.04893	1.4
145.10091	5.8
147.11646	47.7
149.09534	1.4
150.07539	5.7
157.10075	2.0
159.11655	5.6
161.13176	10.6
163.03908	1.1
171.11633	2.3
173.13193	1.7
175.14757	2.0
184.07320	7.7
203.17863	22.8
228.44757	1.1
260.12387	1.1
277.01688	1.3
281.28763	1.4
295.10126	1.2
318.85278	1.3
364.47754	1.1
385.22104	1.4
400.29407	1.6
531.34161	1.8
532.35205	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.01842	3.7
58.99549	0.8
64.32747	0.7
65.03912	2.7
67.05471	5.4
69.03385	1.5
69.07020	0.9
70.06554	1.2
71.04962	0.7
73.80456	0.6
75.04431	3.8
78.04666	1.4
78.72382	0.6
79.05457	3.1
81.03368	7.1
81.07002	1.1
83.04936	0.9
85.02858	4.0
89.03815	0.9
89.06014	0.8
91.05444	12.9
92.09415	0.8
93.03362	13.7
93.06995	9.2
95.04923	26.2
95.08524	0.9
97.06488	19.1
103.05435	7.1
105.04492	0.8
105.06976	0.9
106.04136	27.8
107.04903	6.5
108.02037	1.1
109.02829	0.7
109.06455	3.5
111.04397	1.7
117.03311	1.1
117.06972	0.7
118.04131	0.7
119.04899	3.0
121.02817	1.6
121.05618	1.4
121.06456	31.8
123.04398	14.4
123.08048	0.8
124.05164	0.9
125.05932	13.0
127.07505	100.0
131.04898	6.7
131.05756	0.8
132.05640	1.7
133.02809	3.6
133.10074	0.7
134.03571	5.4
135.04364	1.6
137.05949	7.2
139.07506	3.7
140.04626	5.1
145.02812	3.0
146.05905	0.8
147.04315	1.0
148.05118	2.7
149.05930	53.5
150.06369	0.9
151.03851	3.8
151.07452	4.0
152.08353	0.7
153.05421	1.7
153.09044	13.9
155.06979	21.2
162.03024	0.8
163.03841	1.2
163.07451	3.9
165.05382	3.9
165.80658	0.7
166.06194	1.6
167.06979	14.8
176.04729	0.7
177.05386	30.0
179.01544	0.8
179.06888	1.4
180.07758	3.6
181.08537	19.9
181.09996	1.0
183.06458	33.4
191.06993	11.5
192.07838	4.8
197.07996	3.2
209.08015	78.7
218.26003	0.8
241.09708	0.8
247.49956	0.7
285.11334	0.9
301.07349	3.8
308.01266	0.7
317.13858	0.8
343.11453	1.5
374.14413	1.0
375.14212	1.6
413.66571	0.7
532.22418	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	532.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.3
53.03918	0.4
55.01852	0.4
55.05483	0.6
58.61282	0.2
60.81813	0.3
62.03389	0.2
62.41200	0.3
65.03905	1.6
67.05225	0.2
67.05481	4.1
68.99769	0.3
69.03401	9.5
69.07039	0.3
80.34759	0.3
83.04949	13.8
85.02874	3.8
87.00781	1.1
91.05452	4.9
93.03371	5.6
95.04930	14.9
95.05534	0.5
97.02835	1.3
98.97575	0.9
101.05981	0.6
107.04919	1.6
111.04404	22.8
115.03873	0.4
116.98573	0.4
119.04896	21.1
121.02815	2.9
121.06387	0.4
123.04379	8.0
129.05432	17.8
131.05017	0.4
133.02850	0.5
133.06465	1.1
135.04372	1.2
135.12752	0.3
136.06134	0.4
139.03856	12.6
139.04941	0.5
147.04366	100.0
147.06447	9.3
148.04674	1.2
149.05956	1.2
153.05408	0.4
157.04904	11.9
161.01086	0.6
161.02290	0.5
161.05911	2.0
163.03877	0.4
165.05388	2.2
165.07573	0.4
171.04382	0.3
175.05954	10.1
179.03386	0.4
187.03818	1.1
189.05348	2.8
193.07016	11.4
199.03810	1.5
217.04861	3.5
239.04248	1.4
259.05606	0.3
263.05429	4.6
323.07578	4.7
324.48691	0.3
339.10583	0.6
341.08572	0.3
353.07056	0.3
391.23987	0.3
464.17505	0.3
497.13126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29099	3.1
50.71997	2.6
53.07064	2.8
54.81083	3.8
55.05486	15.3
57.07046	19.9
64.32645	3.6
67.05466	7.2
69.07061	24.8
76.46793	3.4
79.05452	7.4
81.03365	3.5
81.07014	33.6
83.08583	18.9
87.04434	17.5
91.05454	18.2
93.07013	35.6
95.08566	65.0
97.06499	3.5
104.21417	3.3
105.06985	35.1
107.08559	94.0
109.06490	4.7
109.10118	37.4
119.08533	70.5
121.06458	4.6
121.10104	99.1
123.07965	4.9
123.11672	17.5
131.08524	23.7
133.10091	85.8
135.07936	4.7
135.11649	36.0
137.09509	3.9
137.13225	23.1
143.08536	3.9
145.10088	48.3
147.08020	3.5
147.11646	40.2
149.09573	15.0
149.13228	28.9
153.09032	14.5
159.11627	19.9
161.09439	3.8
161.13197	29.1
163.14751	38.4
167.10606	15.4
173.13171	16.5
175.14749	38.7
177.16316	18.5
179.10646	4.0
181.12196	13.8
185.13168	4.4
187.14755	79.9
189.16312	89.9
191.14159	3.7
199.14679	3.6
201.16328	63.6
203.17856	24.8
205.15741	6.3
213.16309	6.6
215.17879	16.3
223.16859	7.5
225.16336	4.6
229.19563	8.7
232.10938	3.5
233.15237	3.9
235.16847	12.8
237.18433	22.5
247.16792	13.3
375.30002	4.7
393.31409	31.0
397.92416	4.2
425.34119	41.6
439.31760	18.9
453.33646	7.6
471.34601	100.0
498.90552	4.1
531.38495	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	531.3672
Annotation	Rubianol b
Peak:m/z	Relative Intensity
54.46106	1.0
55.05486	6.6
57.07058	2.2
59.04972	0.9
67.05483	10.9
68.86519	1.2
69.07047	13.9
79.05471	11.5
81.07026	20.0
83.08587	7.0
91.05455	16.2
93.07008	30.1
95.04951	1.4
95.08572	33.8
97.10119	1.7
99.08055	8.0
105.06996	41.1
107.08562	48.7
109.10120	16.9
111.07996	1.4
117.06979	6.7
119.08536	78.9
121.09270	2.3
121.10097	41.1
123.07999	5.1
123.11674	5.3
131.08527	44.5
133.10086	46.9
135.11641	26.1
137.09555	1.5
141.48570	1.5
143.08504	5.0
145.10085	52.6
147.11644	82.4
149.13205	10.2
151.11130	1.9
157.10107	10.2
158.10823	2.9
159.11635	36.7
161.13214	11.9
163.11137	6.8
163.14784	6.6
171.11636	8.4
172.12311	2.0
173.13203	15.3
175.14780	22.9
177.12675	6.4
177.16322	33.9
185.13187	7.6
187.14760	57.1
189.16302	19.1
191.17860	2.4
197.13188	2.2
199.14751	5.8
201.16319	100.0
203.17859	5.0
205.15819	80.0
207.17442	9.7
213.16347	11.5
215.14293	1.4
215.17842	6.0
217.15793	1.3
219.17383	13.4
225.16234	1.2
227.17903	6.3
231.17381	1.4
247.16797	1.4
265.17892	1.8
335.27353	1.3
353.27982	4.2
378.10007	1.3
389.31940	2.5
407.32965	30.1
425.33963	26.4
425.93222	1.2
435.32465	2.9
453.33466	17.0
460.46454	1.4
471.34464	7.5
531.34351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	9.7
67.05483	19.1
69.03381	2.2
69.07041	13.6
73.06526	2.4
79.05453	24.4
80.60821	1.9
81.07024	35.6
83.04961	29.6
83.08612	6.9
84.05254	2.6
85.06517	3.5
88.91912	2.1
91.05443	27.3
93.07005	52.6
95.04934	9.0
95.08572	52.2
96.08895	2.8
97.06470	2.6
99.08041	13.8
105.06998	55.5
107.08559	100.0
108.08883	4.2
109.06499	3.0
109.10120	25.6
110.10454	2.1
111.08052	8.7
117.06974	9.1
119.08537	74.6
120.08852	3.7
121.10091	41.7
123.08038	4.6
123.11668	12.1
125.09528	15.1
126.09818	2.1
129.06987	2.9
131.08551	30.1
133.10095	53.7
134.10439	2.6
135.07932	2.3
135.11636	28.4
137.09666	2.5
137.13187	2.3
140.19203	2.4
141.51701	2.2
143.08540	16.7
145.10077	50.4
146.10405	4.0
147.11641	29.3
148.12009	4.3
149.09531	4.8
149.13205	7.8
151.11198	2.8
156.09300	2.9
157.10088	27.9
159.11639	51.7
160.11958	2.5
161.09570	2.0
161.13190	25.2
162.13554	3.3
163.14693	4.2
169.10030	8.6
170.10873	2.5
171.11656	18.7
173.13191	33.0
174.13539	2.5
175.11148	2.9
175.14758	26.0
177.16360	9.3
181.10043	2.5
183.11652	19.9
185.13191	22.1
187.10982	2.2
187.14754	26.1
188.15073	3.8
189.16353	25.4
190.16675	7.9
191.17912	3.4
193.10054	2.3
195.11610	4.8
196.12376	2.4
197.13214	10.9
199.11093	2.4
199.14780	16.4
201.16321	40.8
202.16652	4.6
203.17975	3.2
207.11617	2.8
209.13188	3.3
211.14734	4.5
213.12715	2.4
213.16310	17.2
214.16814	2.2
215.17831	19.5
216.18269	3.8
217.15790	4.3
219.13660	3.2
221.13220	2.1
225.12627	2.5
225.16377	7.7
227.17877	3.5
235.14687	8.3
237.16481	2.6
239.17839	2.2
245.15344	3.8
247.16890	3.8
248.16991	2.1
249.16196	2.6
251.17824	2.6
252.18666	3.7
261.16147	2.4
265.19513	2.2
267.17249	2.4
267.20862	2.5
277.15909	2.1
278.20001	2.2
347.23407	2.8
347.27322	2.9
365.28229	10.1
407.28268	3.6
407.33490	23.1
408.33069	3.9
411.28754	2.8
417.28000	2.5
425.30112	3.8
435.32602	3.2
436.32730	3.4
449.30286	7.2
453.33896	26.4
454.33841	31.4
467.31375	25.7
485.32349	12.8
495.30676	3.5
513.31830	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	531.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17930	0.7
52.06711	0.7
52.88086	0.8
55.05488	1.9
61.06752	0.7
65.53929	0.7
69.07051	0.9
71.63702	0.8
79.05436	3.9
81.03401	1.4
81.07027	3.9
83.04955	1.8
83.72418	0.7
91.05450	3.4
93.07012	4.3
95.08565	2.9
105.06973	2.0
107.04890	1.2
107.08537	6.2
109.06490	1.2
109.10110	1.5
117.06971	1.0
119.08545	5.4
121.06487	0.8
121.10117	1.9
131.08537	1.4
132.15308	1.1
133.10101	1.3
145.10074	3.6
147.11673	1.0
152.05144	0.8
159.11584	1.3
249.10983	3.4
283.15369	1.7
305.13605	5.5
531.25427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.9
53.79857	0.6
55.01844	6.5
55.05240	1.5
55.05494	28.0
57.03420	29.1
58.41586	0.7
59.04979	0.8
65.51082	0.7
67.05481	44.1
69.03406	6.0
69.07043	14.7
71.04972	7.8
78.86821	0.7
79.05462	40.6
79.39761	0.6
81.03385	100.0
81.07027	45.6
83.04948	29.8
83.08075	0.9
83.08589	28.4
83.09096	1.2
85.02871	46.6
85.06496	4.0
91.05444	56.4
91.06019	1.8
92.08720	0.9
93.06428	1.1
93.07009	31.4
95.04929	42.0
95.08571	18.5
95.50623	0.6
97.02847	5.3
97.06504	6.5
97.10162	5.5
99.08022	0.8
105.06995	44.7
107.04920	12.7
107.08547	13.3
109.06487	8.5
109.10119	5.4
111.04384	1.8
111.08032	13.9
113.05965	4.8
115.05411	3.6
117.06961	1.2
119.04914	0.8
119.08540	35.7
119.09399	1.3
121.06470	3.6
121.10086	14.4
123.08029	4.4
123.11663	1.7
125.09607	1.8
127.07501	0.8
129.06964	19.7
131.08516	19.4
133.06454	4.5
133.10081	20.5
135.11656	0.9
137.09583	3.0
142.07758	6.4
145.10083	3.4
147.07990	4.8
147.11642	23.3
149.09560	10.7
151.11050	0.7
155.08549	0.9
157.10083	21.0
165.12677	4.2
175.11121	23.9
175.14751	0.9
193.12163	54.1
202.00026	0.9
211.13216	67.5
247.36424	0.8
267.15829	21.9
285.16858	72.3
367.22394	1.1
385.23709	1.6
422.81522	0.7
459.27454	8.6
460.38898	0.8
464.24518	0.7
477.28339	12.9
495.29364	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	530.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.9
55.01850	3.9
55.05489	22.6
57.03419	20.3
57.07058	2.2
61.72002	1.6
65.03918	2.0
65.12444	1.5
67.05483	41.3
68.50344	1.3
69.03396	3.5
69.07046	19.9
71.04946	8.9
79.05454	33.7
80.60220	1.5
81.03389	52.7
81.07025	100.0
83.04952	18.7
83.08588	21.6
84.84854	1.4
85.02877	24.5
85.06512	9.6
91.05446	50.2
93.07011	29.3
95.04941	19.3
95.08560	29.0
97.02839	2.4
97.06481	10.0
97.10120	3.8
99.08033	2.4
105.06995	52.5
107.04890	7.2
107.08552	23.5
109.06473	10.6
109.10113	9.4
111.00768	1.8
111.08046	9.6
113.05903	1.6
119.08539	46.3
121.10095	32.8
123.07994	6.2
123.11654	27.8
125.09573	3.4
127.07561	2.4
129.06963	9.4
131.08522	12.7
133.06421	1.6
133.10056	20.3
137.09454	1.8
139.89348	1.5
144.56645	1.8
145.10089	6.8
147.11642	63.0
149.09576	7.3
155.08546	1.6
157.10062	21.7
159.11647	6.4
161.13234	2.5
165.12674	17.7
166.93484	1.7
173.13174	2.6
175.11102	10.9
177.16261	1.7
187.14693	3.1
189.16365	3.5
193.12201	27.2
199.14853	2.0
201.16333	8.2
211.13222	37.1
215.17871	2.6
225.99158	1.5
244.44473	1.6
256.44269	1.7
267.15802	43.8
276.10724	1.5
277.10571	1.8
285.16846	78.5
386.79596	1.9
407.32687	2.5
453.33081	2.4
477.28214	7.9
495.29333	38.8
530.33881	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.2
53.03918	0.2
55.01850	0.3
55.05495	1.5
55.93810	0.2
57.03419	0.4
57.07051	0.9
59.04963	0.2
61.02893	0.5
65.03908	0.2
67.05483	6.6
69.03412	1.8
69.07044	1.8
71.01302	0.2
71.04967	9.9
79.05457	2.8
81.03393	1.6
81.04366	0.2
81.07029	7.9
83.04950	1.0
83.08618	0.7
85.02895	2.5
85.06517	15.0
87.04449	0.3
89.05994	0.2
91.05450	11.3
93.07023	4.5
95.04916	1.4
95.08577	3.2
97.02841	2.3
97.06475	1.0
97.10152	0.4
99.04437	0.4
103.05432	1.1
104.05772	0.3
105.06998	6.2
107.04858	0.2
107.08558	8.3
109.02837	0.3
109.06501	1.7
109.10125	8.8
111.04423	0.4
111.08080	0.3
115.05460	0.2
119.04901	21.6
119.08564	1.4
121.06435	0.5
121.10116	1.1
123.04401	0.9
123.08028	1.0
123.11672	3.8
125.09580	0.4
127.03867	0.3
127.07539	0.3
129.06992	0.2
131.04892	2.1
131.08524	1.1
132.05226	1.1
133.06458	0.4
133.09076	0.5
133.10088	13.5
134.10394	0.2
135.08038	0.4
135.11641	1.1
137.05927	1.0
137.09624	0.5
139.03854	0.2
139.11156	0.4
143.08525	0.3
145.05034	0.2
145.10127	0.4
147.04370	100.0
147.11684	0.5
148.04756	0.4
148.62952	0.2
149.05972	0.3
149.09593	0.3
151.07433	0.2
151.11131	9.7
157.10028	0.3
159.11581	0.4
161.09592	0.9
163.07484	0.4
163.11147	1.2
165.05441	0.5
169.12183	6.5
171.11681	0.2
173.09558	0.3
175.07480	0.4
175.11143	0.3
177.05455	1.0
181.12167	0.3
187.11519	0.4
187.13237	11.9
203.10558	0.3
215.09006	0.4
217.08530	0.2
217.16008	0.2
218.16190	0.2
229.12187	0.4
231.13860	0.3
247.13193	0.3
255.41072	0.2
259.13126	0.4
277.14288	1.4
295.15256	1.0
313.16339	0.8
333.16846	6.3
529.25110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.1
55.01851	8.9
55.05489	26.0
57.03411	8.2
57.07051	3.8
61.02919	2.4
65.03901	2.9
67.05482	38.3
69.03407	35.2
69.07051	22.7
71.04959	17.1
79.05472	30.4
81.03389	38.9
81.07026	100.0
83.04942	8.7
83.08600	18.0
85.02886	21.9
85.06503	13.3
87.04434	3.6
89.05991	23.7
90.14687	2.1
91.05437	28.9
93.07006	75.0
95.04924	32.7
95.08573	79.6
97.02281	2.9
97.02859	49.7
97.06487	16.9
97.10132	11.9
99.04418	11.9
103.03873	3.1
104.56078	1.9
105.06989	58.6
107.04913	13.3
107.08558	81.0
109.02854	8.8
109.06483	18.6
109.10126	40.3
111.04428	14.8
111.08047	2.9
113.05986	7.2
117.06976	10.1
119.04915	11.6
119.08557	26.5
121.06464	17.9
121.10109	19.4
123.04387	23.4
123.08028	9.4
123.11664	56.0
125.09575	11.8
127.03927	13.7
129.06987	3.6
131.04875	3.3
131.08501	10.2
133.06477	8.3
133.08549	4.8
133.10077	36.5
135.04327	16.7
135.08005	15.3
135.11639	33.3
137.05933	21.2
137.09552	10.8
139.03867	3.7
139.07477	3.1
142.07675	4.2
142.08727	2.1
143.08524	16.2
144.09401	3.0
145.06451	4.6
145.10101	18.4
147.04369	42.0
147.07982	9.4
147.11626	12.6
149.05959	10.6
149.09607	14.3
151.07484	13.2
151.11142	47.8
153.05423	7.6
153.12671	12.4
154.07611	2.2
155.08540	2.7
157.10085	15.9
159.08011	4.5
159.11630	11.0
161.05936	13.7
161.09550	19.6
161.13208	3.6
163.11113	40.6
165.05482	3.4
165.12691	3.9
169.12222	19.9
171.06514	2.0
171.07991	9.8
171.11646	3.3
173.09566	4.5
175.07494	4.3
175.11134	11.5
177.05452	7.7
177.09023	2.8
177.12677	3.3
179.06973	14.3
179.10574	10.5
181.12148	27.1
183.11615	2.0
185.09517	4.0
185.13191	4.5
187.11108	10.1
187.13197	2.8
189.09050	9.2
189.12660	9.6
191.10564	3.8
192.11113	2.2
193.12172	4.6
195.11955	3.6
197.08009	8.0
199.11107	3.6
199.13239	4.7
201.12708	4.4
203.10593	3.9
203.14243	2.6
205.12288	3.7
213.12645	9.8
215.09099	26.4
217.08629	3.7
217.10455	3.9
217.12279	11.6
229.12202	9.7
231.13725	11.7
235.13235	9.0
241.12109	10.4
247.13115	24.7
249.14742	4.0
259.13181	34.0
267.70752	2.4
277.14246	52.5
295.15335	60.9
313.16299	44.6
315.15768	2.7
333.16782	8.7
351.27292	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	530.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28741	0.6
55.64720	0.7
56.96543	0.7
64.60457	0.7
69.72839	0.7
79.05466	0.8
82.53691	0.7
83.31640	0.7
85.02873	2.9
89.03882	0.8
91.05450	0.9
94.04130	1.2
97.02820	0.8
102.09534	0.9
102.32523	0.8
107.04967	0.9
109.29611	0.8
117.03342	1.5
122.03588	3.9
123.04397	3.9
124.05073	0.8
130.75525	0.7
135.04352	3.9
137.05931	92.2
137.14458	0.8
145.02800	1.0
147.04326	0.9
157.08649	0.9
161.01221	0.8
161.05905	0.8
163.03848	11.7
164.04155	3.7
165.06914	1.7
167.06976	100.0
183.08037	1.3
211.07495	1.3
243.10066	1.4
271.09515	1.6
283.09595	1.7
303.12076	4.1
315.12247	3.9
333.13055	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	530.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.2
51.84414	0.2
51.89370	0.2
53.03919	0.4
53.24950	0.2
54.80832	0.2
55.01846	1.2
57.03407	0.4
57.16406	0.2
58.08310	0.2
58.99546	0.5
59.91043	0.2
61.01097	0.3
61.46055	0.2
65.03913	0.6
67.05476	0.4
68.28880	0.2
69.03402	0.3
71.04974	0.3
75.04427	0.3
78.04674	1.0
79.05455	2.9
81.07014	0.3
85.02882	2.1
86.99038	0.5
87.00807	0.3
89.03912	0.3
91.05443	10.9
93.03349	2.2
93.07008	3.4
95.04915	2.7
97.02855	0.6
97.06467	0.6
103.05426	9.3
105.01809	0.5
105.03352	0.4
105.04463	0.3
105.06990	6.0
106.04137	5.4
107.04916	18.3
109.02824	0.3
109.06463	1.8
111.04391	0.4
114.02388	0.3
115.05414	1.9
117.03317	0.4
117.06952	1.4
118.04121	1.8
119.04894	4.0
119.08537	0.5
120.05673	0.9
121.06454	12.0
123.02637	0.3
123.04379	2.5
124.05178	1.1
125.05949	1.4
127.03846	0.6
128.06174	1.2
129.06950	5.9
131.03946	0.5
131.04877	8.9
131.08519	2.7
132.05678	4.2
133.02837	2.6
133.06470	3.5
133.10042	1.0
134.03590	1.4
135.04367	1.1
135.08006	4.5
136.05098	0.5
137.05916	5.9
138.06721	0.5
139.07513	0.6
144.05608	1.0
145.02780	1.4
145.04840	0.3
145.06419	1.7
145.07455	0.3
146.03537	0.6
146.07207	4.3
147.04340	1.4
147.07962	1.1
148.05144	6.5
149.05934	11.2
149.09633	0.4
151.02048	0.5
151.03859	0.4
151.07446	4.0
152.04716	0.5
153.05394	1.4
153.09006	2.1
157.06447	3.7
158.07193	0.4
159.04323	1.0
159.07919	0.8
160.05148	1.4
161.05914	100.0
161.09540	24.7
163.03842	0.5
163.07469	18.8
165.05403	4.3
165.09047	0.5
166.06177	1.5
167.06967	27.7
171.07925	0.4
173.05890	0.4
174.06699	3.7
175.07471	7.1
176.04579	0.4
177.05397	8.9
177.08954	2.0
179.01503	0.6
179.06975	2.4
180.07747	5.1
181.08519	16.4
183.12044	0.3
189.09029	55.3
190.09401	0.5
191.06961	11.2
191.08655	0.6
192.07733	6.5
193.08484	1.2
195.07970	1.0
197.07968	1.3
197.09579	0.5
207.10081	55.2
208.08781	0.3
209.06064	0.6
209.07983	9.7
210.06578	0.5
219.08051	0.7
219.10057	3.3
221.05794	0.5
223.07428	1.0
223.11017	0.4
224.08295	0.3
225.08995	1.4
235.07414	0.3
236.08167	0.3
237.11217	0.3
239.10558	0.5
251.06819	0.4
251.10663	0.4
253.08493	1.8
255.06358	0.4
255.09882	0.5
257.11569	1.5
264.07498	0.3
267.09927	0.3
279.10016	0.6
283.09558	0.6
283.13184	0.6
285.11081	1.7
295.09595	0.5
299.12546	0.4
301.07236	1.6
309.11026	0.5
311.12567	1.1
315.12085	1.6
317.13672	2.8
329.13672	1.2
331.15002	0.5
341.13669	2.8
343.15237	5.4
361.16315	23.8
373.16251	2.6
391.17261	0.3
392.46790	0.3
461.90103	0.3
529.25580	1.1
530.25922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92818	4.0
55.05488	33.1
56.83843	4.4
56.95221	5.0
57.07050	10.8
63.99138	4.6
64.74179	5.3
67.05478	87.4
69.07043	43.8
71.04963	5.2
79.05464	72.8
81.07032	88.8
83.08611	10.9
91.05448	48.7
93.07016	84.9
95.04928	10.5
95.08572	44.0
97.10136	6.2
105.06975	18.6
107.08575	35.9
109.10137	9.4
117.06963	9.4
119.08510	12.1
121.10080	28.9
131.08496	9.3
132.51743	4.6
133.10077	8.9
135.11655	10.2
145.10081	5.3
149.13223	9.5
159.11687	7.7
183.50928	4.9
256.26199	41.4
456.40662	6.4
529.38757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98083	0.2
52.75568	0.1
54.88578	0.2
60.05473	0.2
66.75757	0.1
67.05482	0.2
69.07037	0.3
76.54939	0.2
79.05469	0.3
81.07001	0.4
92.81506	0.2
93.07016	0.2
95.08575	0.4
97.06517	0.2
105.07021	0.4
107.08563	0.4
109.10124	0.3
131.08511	0.2
180.76028	0.2
294.09308	0.2
297.22144	0.2
328.30792	0.2
364.55029	0.2
367.28113	0.9
449.83148	0.2
529.33264	100.0
530.33521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46179	0.2
54.10358	0.2
54.80596	0.2
69.07059	0.2
69.32767	0.3
74.97963	0.2
81.07013	0.4
81.77372	0.3
85.02895	0.3
91.05444	0.3
93.53609	0.2
95.08624	0.2
97.78740	0.2
105.06982	0.3
107.08566	0.5
107.37234	0.2
109.10120	0.4
119.08597	0.3
121.10057	0.3
163.27635	0.2
183.11613	0.2
184.13062	0.2
203.05209	6.0
216.49716	0.2
294.54251	0.3
349.27002	26.4
350.27307	0.5
367.27966	1.9
387.90897	0.2
409.28928	0.3
430.31024	0.2
486.85519	0.2
516.79907	0.3
529.33234	100.0
530.33691	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08226	0.5
85.02866	1.3
86.09689	0.6
96.42975	0.5
107.22932	0.5
115.05394	0.8
117.03342	1.4
117.05786	0.7
117.06940	0.7
118.06506	20.5
123.86476	0.6
127.11147	0.7
130.06480	2.2
132.08043	6.9
135.04387	2.4
142.06479	3.0
143.07286	2.5
144.08038	20.9
146.05969	91.3
147.04492	0.6
150.84073	0.6
152.51988	0.6
159.09109	8.8
160.07607	0.8
163.03847	8.5
170.05957	6.8
170.75319	0.6
188.07008	100.0
205.09680	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3334
Annotation	Neolinderachalcone
Peak:m/z	Relative Intensity
54.45673	0.2
57.03403	0.2
57.07051	1.0
61.64290	0.2
67.33389	0.2
69.03387	0.5
69.07040	2.9
71.04949	0.2
71.08627	0.3
73.02859	0.5
73.06529	0.3
77.00593	0.2
85.02835	0.4
89.05997	1.1
90.06345	0.2
92.09434	0.4
97.02850	0.2
111.11674	2.6
112.12016	1.2
129.12724	2.1
130.13017	0.5
147.83591	0.2
148.24918	0.2
149.13036	0.2
199.16988	0.4
203.05293	0.4
217.17958	0.3
218.18184	0.3
240.30521	0.2
349.26862	2.0
367.28134	2.6
409.29184	0.4
481.30728	0.3
529.33289	100.0
530.33923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22906	0.5
55.93521	0.7
67.05477	0.8
69.03423	0.7
79.05453	1.0
79.15753	0.6
83.04954	0.8
89.03893	10.1
95.04923	1.0
107.04952	3.0
111.04430	2.5
117.03352	14.0
118.06630	0.8
135.04372	28.3
135.05402	1.0
136.04770	0.8
145.02795	20.8
157.07516	1.0
163.03848	100.0
164.04224	1.6
174.12650	0.7
175.08716	1.2
223.97470	0.8
252.97826	0.9
313.64679	0.7
325.77563	0.8
409.01746	2.8
551.19537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.5
55.05484	2.2
57.06791	1.7
57.07056	40.2
60.45715	0.7
63.62499	0.8
67.05456	1.8
69.07020	1.6
71.08604	29.4
73.06522	8.0
77.21088	0.9
79.05454	1.5
81.03371	1.5
81.07024	4.3
83.08578	4.1
85.10155	25.8
87.04425	6.0
89.05995	100.0
91.05447	2.0
92.08724	2.1
92.72816	1.1
95.08575	1.3
107.07025	5.1
117.09101	4.2
130.08586	1.2
131.06952	1.3
133.08560	34.7
141.16367	2.1
143.08383	1.0
144.23518	0.9
145.10028	1.2
161.11752	1.1
177.11186	14.5
185.18942	4.7
221.13814	1.5
229.21542	8.0
245.74039	1.0
273.24133	6.6
361.78781	0.9
371.22528	7.9
388.76392	1.1
444.75989	1.2
511.38351	22.5
528.38049	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	528.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
53.03924	5.2
55.01855	18.0
55.05241	2.2
55.05494	49.3
57.03421	36.5
57.07056	2.0
59.04980	5.0
65.03926	1.7
65.49953	1.1
66.47496	1.2
67.05482	48.0
69.03392	6.0
69.07037	12.9
71.01325	1.3
71.04971	11.1
79.05458	65.6
81.03384	94.8
81.07025	60.7
83.01311	18.3
83.04950	42.7
83.08591	42.8
85.02872	31.5
85.06512	4.7
91.05443	63.0
93.07010	63.8
93.78512	1.4
95.04926	38.3
95.08568	23.5
97.02837	7.2
97.06467	11.2
97.10152	7.5
99.04401	4.4
99.08133	1.5
105.06995	44.5
105.07684	2.5
107.04924	20.4
107.08553	27.7
107.58910	1.1
109.06492	20.1
109.10114	6.2
111.04408	4.8
111.08038	14.8
113.05966	1.6
115.05403	2.1
117.06955	15.0
119.08535	37.3
121.06460	6.3
121.10097	21.6
123.08025	15.7
123.11652	1.9
125.05952	2.6
125.09582	2.1
125.85665	1.1
128.41643	1.3
129.06964	19.4
131.08545	18.8
133.06444	2.0
133.10078	19.5
135.07983	3.0
135.11653	15.2
137.09587	7.5
142.07739	5.1
145.10081	22.6
147.08041	6.4
147.11635	18.7
149.09639	8.9
153.12675	2.5
155.08420	1.3
157.10040	16.8
163.11124	33.8
173.09488	1.4
175.11130	13.9
181.12241	1.9
191.10670	1.5
193.12170	44.1
199.14873	1.4
209.11656	7.7
211.13235	61.0
213.99672	1.2
227.12807	5.1
267.15729	13.9
283.15289	90.2
285.16840	51.0
307.84970	1.2
345.80164	1.4
383.22476	1.6
457.25998	2.2
475.26828	17.1
493.27783	100.0
527.31750	5.6
528.31909	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	528.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.2
57.03150	1.0
57.03419	21.2
57.07055	25.7
58.80468	0.9
59.04978	6.3
61.02902	5.0
64.32286	0.9
68.48185	0.8
69.03403	19.6
69.07045	91.0
71.01331	2.1
71.04964	7.6
71.08600	14.5
73.02886	35.4
73.06528	20.2
81.03378	1.2
83.08585	5.3
85.02876	30.0
85.10164	6.7
85.84782	1.0
86.95731	1.0
87.04435	2.0
87.69376	0.9
89.05996	43.9
90.52928	0.9
91.03886	1.0
97.02855	26.8
104.10013	0.8
109.02824	1.4
111.11684	100.0
113.40810	1.1
115.03875	13.4
115.89626	0.8
117.66321	0.9
127.03886	5.9
129.12708	80.0
133.04916	1.2
145.04936	1.9
163.05978	1.3
163.21065	1.0
199.16876	16.3
217.17931	34.0
275.85376	1.0
529.13379	1.2
529.33185	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	528.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80133	1.0
55.05502	12.6
57.03419	22.8
57.07056	21.9
59.04979	7.4
61.02904	5.7
63.42872	1.3
69.03407	26.2
69.07045	100.0
71.01324	1.2
71.04971	7.4
71.08601	15.8
73.02891	26.2
73.06524	21.8
75.47038	1.1
81.03384	2.4
81.07030	2.0
82.45334	1.4
83.08604	2.0
85.02882	28.2
85.10165	7.1
87.04440	7.9
89.05998	40.3
93.07013	1.2
95.08580	2.4
97.02848	27.4
99.11677	1.7
104.39755	1.4
107.08637	1.6
109.02873	1.8
111.11687	97.5
115.03879	14.6
115.80638	1.2
127.03874	8.2
129.12712	84.4
133.04939	5.8
145.04926	2.3
151.11116	1.4
173.08325	1.2
178.02411	1.3
189.12820	1.6
199.16879	17.8
217.17918	34.6
257.28207	1.2
324.87823	1.5
527.31049	2.4
528.32104	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	528.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01851	6.4
55.05494	14.4
57.03418	13.6
57.07055	22.3
59.04967	6.4
61.02898	10.6
61.80655	0.9
64.79642	1.1
67.05480	3.9
69.03402	23.3
69.07040	96.5
71.01328	2.2
71.04957	9.8
71.08606	14.3
73.02885	50.8
73.03304	1.8
73.06524	16.7
73.27537	1.0
73.47666	0.9
79.05437	1.7
81.03387	6.2
81.07033	7.6
81.64204	1.1
83.04926	1.4
83.08614	3.4
85.02870	41.4
85.10144	7.3
87.04456	1.6
89.05989	41.0
91.05422	1.3
92.08643	2.4
93.07013	6.0
95.04905	1.2
95.08573	7.2
97.02847	31.7
99.04431	1.1
103.03935	1.1
105.06998	5.0
107.08551	7.9
109.02830	2.3
109.06494	1.2
109.10132	2.6
111.11678	100.0
115.03871	13.2
119.04929	1.1
119.08560	2.2
121.06496	1.0
121.10089	3.9
127.03860	11.4
129.12701	89.7
131.04883	4.7
131.08484	1.4
133.04877	8.4
133.10138	2.0
135.11644	1.5
137.05917	1.4
145.04930	6.6
145.10109	2.3
147.04347	3.8
151.11115	2.1
157.10059	1.9
175.28171	1.1
179.06985	1.5
199.16853	17.7
217.17924	34.4
223.05901	1.6
510.18796	1.1
527.31378	1.5
528.18597	1.3
528.31934	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.4
53.03918	3.3
55.01854	0.6
55.05503	3.5
57.03419	6.3
61.02899	0.8
67.05491	4.0
69.03400	11.9
69.07028	1.9
71.04952	1.0
73.02889	0.5
74.39045	0.5
75.04444	5.5
79.05462	18.7
81.03383	14.7
81.07020	8.6
82.07374	0.6
83.04942	2.3
85.02872	8.1
85.06502	0.5
87.04436	0.7
91.05444	13.7
92.08678	1.1
93.07005	100.0
94.07346	2.9
95.04924	5.6
95.08568	5.1
97.02855	7.6
97.06486	1.1
97.10136	0.8
98.03183	0.5
99.04406	1.1
103.05428	3.6
104.05698	0.5
105.06992	10.6
106.07278	0.6
107.04919	2.6
107.08552	14.2
107.09221	0.8
109.02820	4.6
109.06478	0.8
109.10115	4.8
111.04395	0.6
111.08047	6.5
117.06988	0.7
119.04955	0.6
119.08529	20.4
121.06482	4.7
121.10097	79.1
122.10445	3.2
123.04357	3.5
123.08016	2.4
123.11681	2.5
125.05991	0.8
127.03878	3.9
129.06940	0.8
131.04871	7.3
131.08519	6.1
132.05217	2.9
133.06470	0.5
133.10115	0.6
135.04401	0.8
135.08023	1.0
135.11688	0.8
137.05948	1.1
137.09558	3.7
139.11118	3.3
143.08572	0.7
145.04892	0.7
145.10068	1.1
147.04369	4.6
147.07977	0.6
147.11652	0.9
149.05965	3.8
149.09569	13.6
155.31438	0.6
157.10101	0.6
159.07980	0.8
163.07484	0.9
163.11110	0.9
164.07796	0.7
165.05418	23.6
167.06981	0.5
167.10616	14.1
171.07980	0.5
173.09578	0.6
175.07477	4.6
177.05396	28.2
187.07491	0.7
189.05566	0.7
189.09059	0.5
191.06995	2.4
195.06468	0.8
201.05539	0.6
217.08519	11.1
237.75177	0.5
245.06139	0.7
248.11084	0.5
267.13708	0.5
273.07437	0.7
285.14731	2.0
293.13815	4.6
295.13171	0.7
311.14774	6.6
312.15277	0.5
313.14346	6.4
329.15829	1.1
331.15262	17.0
331.19095	0.7
344.90164	0.6
355.15433	0.6
457.18420	1.0
475.19595	3.7
493.20432	2.0
527.24280	2.5
528.24066	3.8
542.17072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.2
54.81539	0.6
55.01855	7.5
55.20418	0.5
55.84137	0.5
57.03420	8.2
57.12505	0.5
61.02900	8.2
68.99768	2.7
69.03030	1.4
69.03402	39.1
71.04970	6.6
73.02884	8.1
73.33932	0.6
81.03384	29.8
83.01282	0.9
85.02872	100.0
87.00795	50.9
87.04440	0.9
91.03901	0.8
92.09343	0.6
97.02852	42.0
99.04410	14.4
101.02303	0.6
104.73564	0.6
105.01829	51.5
107.08580	0.9
109.02841	34.0
111.00866	0.5
115.03895	0.7
117.01817	3.7
127.03864	63.6
127.16788	0.7
129.01778	3.4
133.32964	0.6
145.04919	24.6
147.02831	1.2
147.27141	0.7
155.01808	0.7
159.02832	12.6
189.03905	1.3
190.08441	0.7
213.03847	6.3
231.04895	19.6
249.05951	9.8
253.06952	2.6
253.73808	0.7
271.08078	1.0
330.56516	0.6
357.08173	0.7
375.09100	1.1
393.10043	1.3
459.86319	0.7
484.98801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37951	0.3
55.91866	0.4
56.96534	0.4
65.02506	0.4
67.05472	0.7
69.03389	0.5
69.07043	0.4
70.21041	0.3
79.05423	0.4
81.06993	0.8
90.58749	0.4
93.07008	0.5
95.08553	0.6
104.10298	0.4
105.06961	0.7
119.08524	0.6
133.10046	0.4
157.10001	0.5
158.46387	0.4
159.11720	0.5
165.52274	0.4
170.90446	0.5
346.80396	0.4
356.84027	0.5
365.26382	2.2
385.29861	0.4
516.30035	0.5
527.31732	100.0
528.32202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01645	0.5
55.01858	7.5
55.05502	1.8
57.03415	8.0
61.02905	8.6
61.64791	0.5
68.99764	3.6
69.03402	40.6
71.01323	0.6
71.04967	6.1
73.02886	7.1
79.05447	0.9
81.03387	26.1
81.07032	0.9
82.66613	0.5
83.01296	0.5
83.04951	2.2
83.08586	0.9
85.02874	100.0
87.00797	48.9
87.04428	0.7
91.03918	1.2
93.07015	0.7
95.04917	0.7
95.08564	1.1
97.02855	34.0
97.06506	0.8
99.04415	11.7
99.19193	0.5
101.02353	0.7
103.03896	1.2
105.01832	45.1
107.08531	0.7
109.02847	25.7
111.04402	0.7
111.08050	3.0
113.09615	0.8
115.03863	1.2
117.01817	2.7
123.02865	0.7
123.08038	0.7
127.03867	55.1
129.01811	2.7
135.08002	1.1
139.07484	1.2
141.09084	0.9
145.04916	16.4
147.02844	0.8
149.06447	0.5
151.07495	1.2
159.02827	7.1
169.62654	0.5
171.02780	0.7
181.04893	0.6
189.03822	2.1
191.10623	0.8
206.23164	0.5
209.11674	4.7
210.57111	0.5
213.03870	3.0
231.04907	12.1
249.06009	5.9
260.30768	0.5
269.13739	3.4
295.11703	8.9
313.12738	3.7
331.13809	1.1
386.41986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2457
Annotation	Cochinchinenene A
Peak:m/z	Relative Intensity
59.10492	0.8
60.98603	0.9
79.05456	1.3
81.07029	2.1
85.02877	1.6
93.07001	1.6
95.08568	1.5
107.08581	1.5
109.10103	1.0
135.11693	0.9
159.28839	0.8
163.03886	1.1
169.08563	0.8
185.06532	1.2
279.19324	6.5
303.18192	0.9
321.19205	2.0
363.83246	0.9
423.23013	1.3
441.24744	6.5
465.24380	4.9
483.25510	19.4
509.23053	10.6
527.24481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48099	0.7
52.96841	0.7
53.97927	0.6
55.05488	3.5
57.07060	0.7
67.05473	1.6
69.03410	1.0
69.07031	4.7
70.07359	0.9
79.05446	3.0
81.03407	1.2
81.07033	11.6
82.07350	3.3
85.02872	1.2
85.06508	1.1
91.05443	1.9
93.07009	5.8
95.04893	0.8
95.08590	6.9
96.08910	1.4
103.05428	1.0
105.06998	3.4
107.08569	4.0
108.08916	1.0
109.10125	4.0
111.08067	1.2
112.08380	0.9
119.08556	0.9
121.10091	3.1
122.10436	0.8
123.11680	1.9
131.04883	4.7
135.11674	1.2
137.05963	4.6
145.56039	0.8
147.74164	0.9
163.03856	1.2
191.51385	0.8
227.05191	1.3
227.93056	0.9
247.71216	0.8
253.94713	0.9
279.19223	4.9
423.23434	3.7
441.24484	11.3
465.24542	8.3
483.25464	17.2
503.71414	0.8
504.03897	0.9
509.23581	14.2
527.24451	100.0
528.24377	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	526.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.41849	0.7
54.80919	0.7
55.01857	14.3
55.05494	23.8
57.03419	19.4
57.07043	1.0
59.04975	3.0
62.17760	0.8
67.05480	13.5
69.03412	1.3
69.07040	5.0
70.56132	0.7
71.01308	0.9
71.04963	5.2
78.12001	0.9
79.05457	26.0
81.03390	12.7
81.07022	22.4
83.01311	17.0
83.01785	0.9
83.04941	16.3
83.08589	14.9
85.02884	4.1
91.05450	16.6
92.08716	1.7
92.62884	0.8
93.07007	31.5
95.04939	9.6
95.08566	9.5
97.02852	1.5
97.06483	5.5
97.10117	1.8
99.04420	3.4
101.68880	0.8
105.06993	14.7
107.04924	9.1
107.08550	17.9
108.98806	0.7
109.06480	9.4
109.10136	3.0
111.04420	3.2
111.08045	1.7
117.06951	10.6
119.08548	13.4
121.06464	4.7
121.10090	9.6
123.04279	0.9
123.08021	11.2
125.05939	1.7
125.09599	1.6
129.06955	1.8
130.07698	1.6
131.04886	0.9
131.08542	3.6
133.10071	4.0
135.08023	4.1
135.11653	13.5
137.09593	1.1
142.40065	0.8
145.06439	1.6
145.10080	22.5
147.08029	4.1
147.11572	0.8
153.12715	1.7
155.08527	1.1
162.79166	0.9
163.11116	28.7
173.09569	3.0
177.05396	0.9
181.12144	1.8
191.10617	1.8
209.11620	7.7
209.13361	1.0
221.79497	0.9
227.12674	4.4
283.15292	100.0
317.45212	1.0
383.36722	0.9
410.60565	0.9
449.30386	3.4
491.26196	37.1
512.43195	0.9
525.31171	1.2
526.31738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.0
55.05492	7.0
57.03411	6.0
59.04947	0.8
59.52577	0.7
61.02883	0.9
64.35699	0.7
66.89743	0.8
67.05480	7.6
69.03401	14.1
69.07040	9.7
71.04946	2.1
73.02876	1.3
74.89725	0.8
75.04444	6.9
75.41376	0.7
75.77032	0.8
79.05457	22.5
81.03381	10.5
81.07022	28.3
82.07349	1.3
83.04928	1.7
83.08598	1.8
85.02885	6.3
85.06496	3.5
87.04417	0.9
91.05445	15.0
92.08720	1.6
93.07004	99.0
95.04942	6.4
95.08572	13.6
97.02814	7.0
97.06494	4.3
97.10136	1.0
99.04392	1.4
103.03948	1.0
103.05425	42.8
105.06999	12.5
107.04877	1.1
107.08553	16.5
108.08896	1.3
109.02831	5.7
109.06487	1.7
109.10127	6.8
111.04423	1.2
111.08030	6.5
112.02417	0.9
116.88492	0.8
117.06974	1.1
119.08543	13.6
121.06435	1.9
121.10096	82.7
123.08007	1.9
123.11673	7.6
127.03859	5.9
131.04880	100.0
131.08508	5.8
133.10039	1.4
135.11586	1.4
137.05864	1.1
137.13229	1.4
139.11089	3.5
145.04976	1.2
147.11636	8.4
149.09584	10.9
149.13239	1.2
153.12798	1.0
161.13046	0.8
162.75830	0.9
163.03902	2.0
163.07491	29.4
165.12654	3.9
167.10587	10.4
181.86320	1.3
229.12086	1.1
229.14223	1.1
267.15799	5.0
285.16879	1.6
293.13779	1.7
309.27631	1.6
311.14758	7.0
337.16360	1.3
411.19839	4.0
429.20966	5.2
465.87097	0.9
482.23978	4.8
496.23959	0.9
525.22601	1.9
526.23315	14.8
526.30475	1.5
554.28760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.5
53.03915	0.9
55.01859	1.8
55.05496	16.9
57.03411	3.0
57.06788	0.5
57.07060	11.1
59.04990	1.9
61.02896	0.8
67.05483	23.6
69.03412	4.4
69.07043	42.8
71.04981	3.9
71.08609	3.8
71.46439	0.5
73.02882	0.7
73.06522	0.9
76.66314	0.5
79.05464	17.8
81.03411	1.9
81.07027	100.0
83.04984	0.8
83.08589	16.5
85.02878	8.8
85.06518	21.1
85.10126	0.8
87.04446	1.1
91.05446	6.8
93.07009	39.4
95.04949	3.3
95.08569	75.0
97.02857	4.5
97.06499	5.6
97.10144	9.1
99.08062	11.6
101.05977	0.5
103.02458	0.4
105.06990	9.9
107.05045	0.5
107.08566	42.2
108.43106	0.5
109.02830	0.7
109.06486	1.1
109.10123	47.3
111.08030	8.8
111.11690	7.3
113.09613	1.2
117.05446	1.1
119.05928	0.7
119.08543	9.0
121.06505	0.8
121.10098	29.2
123.08044	0.7
123.11663	37.5
125.09615	3.5
125.13239	0.9
127.03868	1.0
127.11145	0.9
131.08522	0.9
133.10088	5.7
135.11650	17.8
137.05852	0.7
137.13216	19.4
139.11140	4.0
141.12712	1.1
145.02831	2.0
145.04803	0.6
147.11650	5.7
149.13214	27.7
151.14807	3.4
153.12735	6.0
161.13190	4.6
163.03854	1.3
163.14766	12.5
165.12709	0.9
165.16371	1.0
167.14284	3.2
168.08878	0.6
170.14568	0.5
171.13678	0.5
173.13271	0.6
175.14839	2.4
177.05447	3.0
177.16325	8.8
189.16336	1.0
191.17831	3.9
195.17442	2.8
203.17886	2.2
205.19455	0.9
209.18907	1.2
213.18433	10.0
217.19490	5.6
223.20593	0.7
235.20468	3.7
255.65800	0.5
261.25595	1.2
273.25711	5.0
279.26776	5.0
287.03940	0.7
289.05276	0.9
291.26718	23.2
297.27896	7.2
309.27774	26.1
327.28824	16.6
345.29935	5.5
439.23438	0.6
481.23981	0.9
484.30893	0.6
499.07098	0.6
525.22693	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	525.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
53.35403	0.9
55.01851	1.9
55.05498	12.7
57.03412	1.8
57.07059	10.8
59.04943	1.1
60.71347	0.9
61.02883	1.2
62.32168	0.9
67.05479	22.8
69.03400	6.7
69.06682	2.0
69.07042	39.7
71.04958	4.8
71.08588	4.6
78.24834	1.0
79.05458	15.8
81.03409	1.5
81.07024	100.0
83.04958	1.4
83.08583	13.6
85.02863	9.4
85.06511	10.9
88.78025	1.1
91.05446	8.1
93.03438	1.1
93.07006	38.4
95.04939	2.3
95.08570	74.2
97.02859	5.1
97.06480	2.3
97.10131	6.0
99.08033	5.8
105.06986	9.5
105.97564	1.1
107.04904	2.1
107.08560	40.1
109.06479	1.3
109.10114	53.2
111.04454	1.4
111.08042	7.5
111.11667	4.6
119.08548	7.9
121.10103	25.9
123.08063	1.4
123.11662	48.7
125.05943	1.6
125.09582	2.0
127.03828	1.5
131.08540	1.9
132.62428	1.0
133.10071	5.2
135.04373	1.7
135.11647	16.4
137.05962	4.3
137.13216	21.1
139.11162	4.6
141.12726	1.5
143.08504	1.3
147.04359	2.1
147.08037	1.3
147.11620	4.6
149.13203	21.4
151.03850	4.5
151.14798	2.5
153.05460	1.4
153.12679	8.1
161.13185	5.9
163.03845	2.3
163.14742	8.4
165.09108	1.2
167.06929	2.3
175.14726	1.9
177.05412	2.5
177.16330	7.8
189.16269	2.1
191.17877	2.5
205.19492	2.6
213.18419	2.7
217.19472	2.4
237.02829	1.5
273.25583	7.2
289.14722	1.2
291.18692	1.1
291.26709	24.3
297.27936	1.8
309.27780	17.5
327.28851	15.5
345.29865	1.5
377.44498	1.2
407.94897	1.1
415.16278	2.1
525.22943	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	525.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
53.94846	0.9
55.01855	1.7
55.05494	18.8
57.03417	2.3
57.07064	11.2
58.18415	1.0
66.56436	1.1
67.05489	23.0
69.03419	2.2
69.07042	52.0
71.04966	7.9
71.08607	4.5
73.02877	1.3
79.05479	10.6
81.03383	1.4
81.07030	100.0
82.07357	1.4
83.04931	1.5
83.08595	22.0
85.02886	6.6
85.06516	8.1
85.10226	1.2
88.13495	1.1
89.06029	2.5
91.05457	5.2
92.08672	2.2
93.07007	36.0
95.04929	1.8
95.08576	82.3
96.08894	1.5
97.02879	2.5
97.06477	8.8
97.10140	9.0
97.91103	1.4
99.08070	5.6
105.07005	18.4
107.08568	34.0
108.85204	1.1
109.06484	1.8
109.10124	39.2
110.10497	1.6
111.08044	18.3
111.11675	11.2
119.08537	13.8
121.10101	25.8
123.08015	2.1
123.11664	30.7
125.09615	4.9
125.13290	1.6
127.11166	2.1
133.10069	8.9
135.11647	16.8
137.13229	23.8
139.11137	2.1
145.65173	1.1
147.11638	13.0
149.13202	22.2
151.11156	4.7
151.14825	1.9
153.12740	4.6
155.14299	6.6
161.13278	4.9
162.77661	1.0
163.14777	6.8
165.12730	2.1
165.16307	1.6
167.14294	1.6
175.14670	1.4
177.16382	6.0
178.06931	1.1
189.16327	2.0
191.17888	1.9
191.72723	1.6
203.17816	1.3
205.19440	1.6
217.19496	2.0
239.00070	1.1
254.94301	1.1
259.16650	2.4
261.18262	6.8
273.25778	11.9
277.17673	11.3
279.26624	8.4
287.03723	4.6
289.05301	6.5
291.26703	35.7
296.11377	1.4
309.27753	26.7
327.28857	11.2
345.30042	4.8
434.77032	1.3
439.23099	1.7
481.23907	7.8
525.22937	65.2
525.30273	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	525.318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74056	0.9
55.01857	1.8
55.05495	4.3
56.96546	6.1
57.03420	4.7
61.02916	5.4
67.05481	4.4
69.03413	4.3
69.07034	2.1
73.02898	1.4
79.05466	2.3
81.03405	6.6
81.06599	1.1
81.07009	8.5
82.07362	1.0
83.04957	4.5
83.08593	1.4
85.02865	8.3
87.03854	1.1
91.03928	1.2
91.05459	6.3
92.09288	2.1
92.30677	1.3
93.07018	6.7
95.04951	2.4
95.08586	6.4
97.02869	5.2
98.54504	1.0
98.97574	4.5
101.02336	1.1
105.07009	5.3
107.04932	1.6
107.08572	5.2
109.10148	4.2
115.49664	1.2
116.98567	3.8
119.08579	5.0
121.10149	4.2
127.03905	1.9
131.08517	2.0
133.10089	4.0
139.11139	1.2
145.10106	1.8
147.11633	3.7
149.01256	1.5
157.10106	1.7
159.11635	1.2
163.03888	5.8
175.11142	1.5
193.12225	1.2
198.88350	1.1
203.05852	2.1
228.90071	1.2
231.08928	2.0
237.00658	1.7
255.08832	1.6
267.08954	13.4
268.09406	1.4
269.10397	3.5
285.09961	30.3
285.12778	1.4
286.10373	4.0
294.01627	1.3
309.67566	1.1
363.25113	1.8
411.11749	1.1
429.16608	4.5
429.66745	1.1
447.22736	1.3
461.23254	1.2
525.31653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43790	0.3
54.81097	0.3
55.05497	0.5
56.96552	0.8
57.03415	0.4
61.02901	0.8
61.76778	0.3
65.30106	0.3
65.30506	0.3
67.05473	0.6
69.03394	0.4
71.04907	0.3
73.02895	0.4
79.05463	0.7
79.94476	0.3
81.03378	1.7
81.07020	1.5
83.04951	0.3
84.12704	0.4
85.02889	0.7
91.03926	0.4
91.05456	1.3
93.07014	1.3
95.04952	0.3
95.08568	0.6
97.02863	0.6
97.62631	0.3
105.07003	0.9
119.08604	0.5
121.10167	0.6
122.97450	0.3
123.04420	0.4
128.27853	0.4
133.10110	0.6
147.11655	0.5
149.13321	0.4
163.03882	0.7
171.59485	0.4
177.00754	0.4
177.04216	0.4
203.06105	0.5
215.11497	0.5
267.08987	3.4
269.10468	0.5
285.10028	6.2
321.34628	0.4
333.17892	0.4
349.15753	0.6
363.24966	2.5
525.30212	100.0
526.30688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.6
54.80823	0.7
55.01827	0.5
55.05491	3.6
56.48893	0.5
56.96547	5.2
57.03411	1.4
61.02889	3.0
64.71766	0.6
67.05483	5.9
68.80555	0.5
69.03394	3.0
69.07042	2.7
71.04953	0.7
73.02885	2.4
79.05454	5.9
80.53350	0.6
81.03394	6.5
81.07022	6.9
83.04938	1.2
83.08591	2.6
85.02890	4.6
91.03925	1.3
91.05430	4.2
93.06983	5.7
95.04924	2.7
95.08587	5.7
96.08909	0.7
97.02854	4.4
97.06481	0.8
98.97528	5.8
105.07010	4.4
107.08548	5.7
108.08907	0.9
109.02852	0.7
109.06527	0.8
109.10128	3.7
111.08044	1.3
116.98557	4.4
119.08533	5.9
121.10103	3.8
123.11658	2.3
127.03894	1.2
127.67969	0.7
129.06996	0.7
130.47102	0.7
131.00119	1.3
131.08533	3.5
133.10088	4.0
134.99615	0.6
135.07994	0.6
135.11632	2.5
137.09554	0.7
145.10095	2.8
146.99628	0.7
147.11664	2.7
149.01218	1.2
149.09621	0.8
157.10143	1.1
159.04346	0.7
159.11632	1.1
163.03888	4.0
163.11226	0.7
171.03201	0.9
173.13226	0.8
175.11218	0.6
175.14664	0.6
177.00624	2.2
189.16348	0.6
196.49310	0.7
201.50558	0.6
203.05746	1.0
211.13222	0.8
213.05473	1.0
231.09009	0.9
237.00578	1.4
241.07382	0.6
249.07735	0.9
267.08893	13.5
269.10461	3.4
276.92294	0.6
277.21884	1.1
285.09991	26.1
286.10449	3.7
287.11557	2.4
303.11215	1.1
319.15732	3.9
347.25381	6.5
363.24829	2.8
401.12650	0.7
411.11111	1.0
429.12024	2.4
429.16852	4.2
429.66904	0.8
471.75082	0.6
472.34241	0.8
495.29376	1.1
525.30194	100.0
526.30438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37305	0.6
53.03920	3.0
55.01844	1.8
55.05494	11.3
57.03410	1.4
57.07042	3.7
59.04966	1.7
61.02887	1.4
63.80375	0.7
64.53652	0.6
67.05482	13.8
69.03408	13.4
69.07043	10.9
71.04961	3.5
73.02876	0.9
79.05459	18.6
81.03377	10.9
81.06545	1.3
81.07021	29.1
83.04949	16.0
83.08585	5.0
84.81947	0.7
85.02876	14.9
85.06532	5.5
87.00800	6.1
88.41101	0.9
91.03927	1.0
91.05444	9.8
92.09410	0.9
93.07006	30.3
95.04912	3.9
95.08566	21.3
97.02826	4.2
97.06464	3.6
97.10086	1.3
99.04385	1.2
105.01814	3.4
105.06995	28.0
107.04886	6.7
107.08557	25.9
109.02839	3.8
109.06477	7.4
109.10117	27.2
111.08007	5.4
113.09592	4.8
117.06979	1.7
119.08534	36.8
121.06496	5.7
121.10094	34.3
122.07223	3.4
123.07986	3.9
123.11641	9.9
125.09585	5.9
127.03858	7.1
129.06876	0.8
131.08516	6.6
133.06459	1.6
133.10083	63.7
135.08008	3.0
135.11635	12.5
137.09563	40.9
137.13193	0.9
139.11115	5.0
143.08501	3.9
145.10080	7.9
146.07246	0.9
147.07991	8.9
147.11632	13.4
148.08791	1.1
149.09549	4.0
149.13185	5.1
151.11119	14.6
153.12717	1.1
156.09264	0.7
157.10086	3.5
159.02827	1.4
159.11586	6.6
161.09573	10.0
161.13167	6.3
163.11125	0.9
163.14806	0.9
165.12651	3.1
171.11575	1.0
173.13181	3.4
175.11125	3.8
175.14772	28.2
177.12729	1.3
179.14226	1.0
183.11385	0.8
185.13225	5.4
189.12633	1.5
193.15794	1.1
199.14781	3.3
201.16322	6.8
203.14281	9.8
217.15799	4.1
217.19437	3.0
219.17310	0.9
241.19386	1.7
259.17688	1.1
259.20447	30.9
277.21506	100.0
308.18726	0.8
525.29968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01852	3.7
55.05492	20.8
56.96541	3.5
57.03413	2.1
57.07053	12.2
59.04978	4.4
61.02427	0.8
61.02896	1.8
67.05477	26.0
69.03396	6.1
69.07037	65.8
71.04959	16.0
71.08598	4.3
73.02873	4.3
73.06460	1.4
79.05453	11.5
81.03379	4.8
81.07020	80.2
83.04943	2.1
83.08585	36.3
85.02868	8.3
85.06501	5.2
85.10151	1.6
89.05998	11.6
91.03947	1.1
91.05429	9.6
93.07004	39.1
95.04921	4.2
95.08562	100.0
97.02862	3.7
97.06496	7.3
97.10133	13.4
99.08039	1.6
100.00571	0.9
104.80906	0.9
105.06985	16.5
107.08554	40.9
109.06447	1.3
109.10117	48.9
109.10864	1.8
111.08039	39.2
111.11672	10.6
112.89590	1.0
117.07764	0.9
119.08521	10.4
119.51722	0.8
121.10099	34.9
123.08014	1.5
123.11649	36.1
125.09595	4.8
125.13232	4.0
127.03864	1.2
131.08481	1.3
133.10075	8.1
135.11644	15.6
137.13211	16.3
139.11134	2.0
145.10066	1.1
147.11600	10.1
149.13194	31.1
151.11072	1.2
151.14774	4.0
153.12679	2.0
157.03082	1.0
159.11690	1.1
161.13216	8.9
163.03854	2.1
163.14760	13.9
165.12669	2.0
165.16299	4.5
167.14272	1.5
175.14816	4.3
177.16309	9.5
177.56529	0.8
183.17245	1.1
189.16330	3.4
191.17902	6.3
193.08597	1.9
193.11995	1.1
203.17838	1.9
205.19481	3.5
209.19028	1.5
211.13232	1.5
217.19490	5.2
247.24165	0.9
261.25812	7.5
267.08914	7.6
273.25613	18.6
279.26675	19.7
285.09937	14.4
291.26694	61.6
309.27747	88.2
327.28806	17.8
359.11612	3.8
383.70575	1.0
411.12698	1.7
424.80688	0.9
447.12897	1.1
524.29041	17.5
525.20490	1.5
544.09241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09025	0.7
55.01847	3.3
55.05495	18.3
57.03409	0.8
57.07059	11.3
59.04971	4.3
61.02906	1.0
61.84010	0.7
67.05483	25.3
69.03402	3.5
69.07042	50.1
71.04961	14.9
71.08595	3.9
72.12825	0.6
73.06535	1.0
79.05468	9.6
81.03411	0.7
81.07025	69.4
83.04955	0.7
83.08591	29.2
85.02869	5.5
85.06509	5.5
85.10158	1.0
89.05995	8.0
91.05432	4.4
92.09367	1.5
93.07011	37.3
95.04922	1.4
95.08570	100.0
97.02886	1.5
97.06514	6.2
97.10126	8.6
99.08045	3.0
105.06999	11.4
107.08559	36.2
109.06472	1.0
109.10122	41.6
111.07323	1.5
111.08047	27.5
111.11676	8.1
117.06985	0.7
119.08553	10.3
121.10099	23.7
123.08001	1.4
123.11658	33.8
125.09604	4.0
125.13211	1.4
127.03860	1.1
131.08527	0.9
133.10097	7.0
135.11646	15.7
137.09567	1.1
137.13210	11.5
139.11136	2.8
145.10066	0.8
147.11638	8.8
149.13206	22.2
151.11165	3.5
151.14775	4.1
153.12679	3.2
161.13197	7.1
163.14772	8.7
165.12646	1.6
165.16313	4.4
167.14244	2.4
175.14745	3.5
177.16333	5.0
179.17894	0.9
189.16365	3.0
191.17894	3.6
203.17871	3.8
205.19521	0.8
209.18938	1.5
217.19464	4.7
219.21071	0.7
219.41779	0.7
221.22603	1.2
247.24004	1.1
261.25711	7.5
273.25647	10.7
279.26736	12.9
291.26715	40.7
297.27747	3.9
303.53561	0.6
309.27768	47.8
327.28818	27.2
345.29913	1.2
464.20639	0.9
524.28961	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	524.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.0
53.03926	1.4
55.01846	1.9
55.05493	22.5
56.96545	7.6
57.03403	4.9
57.07057	18.4
59.04976	1.4
61.02903	6.8
62.56443	0.7
65.03915	1.1
67.05479	40.4
69.03405	7.0
69.06678	1.8
69.07040	46.7
69.90311	0.8
71.04951	5.4
71.08604	9.5
73.02892	2.7
78.01903	0.7
79.05456	26.1
81.03388	6.8
81.07024	90.6
82.07391	1.5
83.01270	0.9
83.04934	5.1
83.08588	28.5
85.02876	19.8
85.06515	1.1
85.10152	3.7
91.03880	3.3
91.05444	21.6
92.08708	2.1
93.07006	49.7
95.04932	5.6
95.08569	100.0
97.02849	9.6
97.06491	1.9
97.10124	12.4
97.75725	0.8
98.97560	1.2
99.04384	0.9
99.08023	1.2
101.02331	0.9
105.06997	33.3
107.04940	0.8
107.08556	41.5
107.61852	0.9
109.02803	1.2
109.06481	4.4
109.10117	52.2
111.08035	3.4
111.11710	6.8
117.06948	1.2
119.08534	24.7
121.10105	31.7
123.08020	5.4
123.11662	25.9
125.09547	1.1
127.03879	3.4
127.11135	1.0
131.08508	3.3
133.10086	29.5
135.04378	0.8
135.08043	1.0
135.11638	25.2
137.05923	11.3
137.09552	5.1
137.13179	8.8
139.11115	2.0
145.10101	2.8
147.11641	24.0
149.13197	18.6
151.11137	1.7
151.14798	6.3
153.12733	0.9
155.10689	1.5
161.13184	16.1
163.03822	1.4
163.11063	1.9
163.14746	10.2
165.12714	6.7
165.16324	2.0
173.05894	3.3
174.06339	0.8
175.14754	8.3
177.16322	5.2
178.39043	0.9
179.14342	1.3
179.17874	2.9
189.16283	6.2
191.17853	3.7
203.17899	4.3
209.11778	0.9
217.07408	3.1
217.19377	7.1
235.02806	1.2
237.00554	1.0
247.24184	1.6
255.08899	4.0
265.07382	0.9
267.08960	1.7
273.09940	1.4
273.25650	31.7
279.26700	5.9
283.08597	1.5
283.15353	1.8
285.09955	3.7
291.23502	1.6
291.26691	33.8
301.09436	3.4
305.02945	1.0
309.27734	18.8
315.09650	1.3
327.28995	1.2
341.10648	1.1
345.29858	5.9
359.11478	4.8
377.12616	0.9
411.11484	1.5
411.62900	1.2
428.15796	3.9
429.11942	1.9
445.20316	1.7
524.28784	12.0
525.30072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3698
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.81067	0.3
55.05508	0.4
56.05016	0.4
56.68412	0.3
57.03405	0.4
57.07058	4.2
58.06572	1.3
60.07830	0.7
60.08140	22.4
61.70953	0.3
66.90585	0.3
67.05488	0.7
69.07055	0.5
71.07345	8.2
71.08594	2.9
81.03381	0.7
81.07018	1.1
83.08590	0.5
85.10129	0.6
86.09674	70.8
86.70751	0.3
95.08559	1.8
95.95933	0.3
97.64526	0.3
98.98436	4.3
99.63302	0.3
104.10705	94.5
109.10152	0.4
124.99957	39.9
143.01007	1.2
144.73549	0.3
146.88091	0.3
163.01465	0.6
184.07274	100.0
200.37337	0.3
221.15630	0.3
256.14438	0.3
258.10852	0.7
271.35013	0.4
341.30350	2.1
447.28735	0.4
506.35889	7.5
524.36957	37.9
526.50647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.5
53.03910	0.7
55.01855	2.9
55.05498	17.2
57.03404	1.2
57.06812	0.8
57.07059	11.4
58.98695	0.5
59.04981	5.7
61.02887	0.7
62.03322	0.6
67.05483	24.6
67.09850	0.6
69.03403	3.5
69.07043	51.2
71.04967	14.7
71.08598	3.9
73.06523	1.4
79.05467	6.9
81.03378	1.0
81.07027	58.4
83.04945	1.2
83.08591	31.1
85.02878	3.8
85.06516	6.8
85.10145	1.1
89.05995	8.3
91.05453	4.2
92.48271	0.6
93.07011	36.8
95.04925	1.3
95.08573	100.0
97.06505	6.7
97.10141	10.0
99.08052	2.5
102.78911	0.6
105.07009	11.5
107.08563	33.7
109.06472	1.5
109.10126	42.0
109.10876	1.3
111.08052	31.4
111.11695	8.8
113.09596	0.8
119.08531	8.0
121.09275	1.1
121.10101	22.7
123.08089	0.9
123.11669	28.9
125.09607	3.3
125.13231	2.9
133.10098	7.2
135.11653	13.6
137.13211	13.2
139.11174	3.0
145.09978	0.8
147.11632	7.1
149.13214	25.6
149.14368	1.3
151.11121	1.1
151.14789	2.7
153.12683	2.9
153.87138	0.7
158.52980	0.7
161.13246	7.0
163.14767	9.1
165.12732	1.1
165.16321	6.1
167.14233	4.2
175.14763	1.6
177.16327	6.4
179.14255	1.1
179.17877	0.8
189.16348	1.5
191.17865	4.0
195.17496	0.8
203.17894	1.5
205.19423	1.1
209.18965	0.7
217.19397	3.2
239.23618	1.2
261.25705	6.2
273.25632	9.8
279.26697	13.6
290.26645	0.8
291.26724	36.0
297.27713	6.7
309.27774	47.7
327.28818	27.3
336.36227	0.7
435.69489	0.8
512.91187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.0
55.05492	5.9
57.03413	11.0
57.07049	1.1
59.04977	0.6
59.09511	0.5
61.02895	3.2
67.05470	3.0
69.03402	13.7
69.07031	9.6
71.01309	0.6
71.04955	2.2
73.02496	1.0
73.02882	20.7
78.81921	0.6
79.05441	4.3
81.03384	2.6
81.07021	13.5
83.08585	10.2
85.02871	18.9
85.06509	1.4
91.05428	1.5
92.08691	0.7
93.07011	13.3
95.04932	0.6
95.08565	29.5
97.02843	16.1
97.10143	5.7
99.04407	1.3
99.08051	12.3
103.99812	0.6
105.06998	1.1
107.08555	34.9
109.02861	1.0
109.06462	0.9
109.10110	7.0
111.08043	8.1
113.09564	1.5
115.03875	9.0
119.08556	1.0
121.10093	61.3
123.11654	2.5
125.02229	0.6
125.09592	4.7
127.03867	3.9
133.04907	1.1
133.10074	2.1
135.11623	12.0
137.09613	0.6
137.13202	7.2
139.11150	0.7
145.04929	1.5
149.13251	4.3
177.16309	100.0
191.14333	1.0
195.17354	16.9
200.02995	0.6
213.18407	35.4
241.06956	0.7
248.33385	0.6
259.08133	1.1
291.19443	0.7
295.10205	0.9
309.20309	0.7
357.22571	0.8
375.23846	1.0
381.18497	0.7
524.23944	0.8
525.22681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	3.4
53.03909	2.0
55.01826	2.1
55.05495	19.0
57.03409	17.8
57.06789	3.0
57.07056	60.1
63.50615	2.2
67.05481	34.1
69.07034	16.7
71.04955	3.3
71.08604	38.5
79.05460	20.2
81.03390	43.9
81.07024	46.7
82.13340	1.8
83.04948	13.6
83.08603	29.4
85.02866	26.7
85.06466	2.9
85.10144	17.7
87.98722	2.0
91.05441	27.3
93.07011	19.2
95.04920	17.5
95.08558	40.1
97.06495	2.9
97.10110	4.1
105.06982	21.5
107.04934	4.6
109.10107	8.9
111.08028	3.2
119.08529	17.3
121.10094	4.1
123.11658	3.1
128.32663	2.0
129.06960	11.1
131.08548	8.0
133.06534	2.2
133.10077	4.6
137.13249	2.7
141.67332	2.3
142.07794	2.1
145.84685	2.1
147.11659	11.6
147.88464	2.0
149.09601	4.6
157.10077	9.0
175.11134	8.0
193.12186	21.9
211.13284	18.1
267.15811	16.8
313.27332	13.0
373.21594	2.4
505.38876	9.0
523.39722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.5
53.03927	2.1
53.37696	0.9
55.01847	2.3
55.05277	1.1
55.05494	15.6
57.03417	31.6
57.07054	50.1
67.05152	1.7
67.05479	25.2
69.03418	1.0
69.07032	6.1
70.90173	1.1
71.04981	1.6
71.08599	30.1
73.06532	1.3
79.05448	14.0
81.03381	100.0
81.07021	26.2
81.85516	1.2
81.93002	1.1
83.04942	6.5
83.08589	22.2
85.10148	13.9
86.09673	6.3
91.05447	17.3
93.07001	8.7
95.04925	28.0
95.08566	23.0
97.02870	1.8
97.10120	7.9
104.10695	7.0
105.06995	13.7
107.04917	7.4
107.08573	4.4
109.06476	1.9
109.10114	7.5
111.04452	1.5
111.08019	5.0
115.05369	1.4
119.08537	14.3
121.06441	1.5
121.10077	5.6
123.11671	2.6
129.06956	8.5
131.08569	9.3
133.06461	2.0
133.10065	2.7
142.07840	1.4
145.10121	1.4
147.07925	3.8
147.11646	9.2
149.09601	2.1
157.10059	5.1
167.67409	1.1
175.11143	8.0
184.07231	7.7
193.12167	21.8
211.13138	1.1
249.14772	1.7
267.15808	53.1
313.27243	63.7
505.38690	39.3
523.40399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50937	3.4
54.59623	3.6
55.05487	21.3
57.03411	10.1
57.07055	58.6
63.28702	3.7
65.58929	3.8
66.13015	4.2
67.05479	47.3
69.07024	18.4
71.04945	5.1
71.08604	40.4
74.00472	3.7
75.97292	4.5
78.84517	4.5
79.05448	26.3
81.03386	57.9
81.07030	46.6
83.04942	5.8
83.08576	22.8
83.76340	3.6
85.02863	21.8
85.10174	16.6
90.21921	5.2
91.05428	24.9
93.07005	7.5
95.04929	24.4
95.08582	35.5
97.10127	8.2
105.06970	19.3
119.08547	10.0
121.10071	8.2
129.06960	8.5
133.10039	5.3
147.11621	7.0
157.10031	5.1
193.12210	27.2
211.13222	22.5
267.15689	8.7
313.27225	9.9
417.36295	5.0
431.48886	4.7
505.38577	8.3
523.31989	8.0
523.39728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84049	0.7
51.06993	0.7
53.03927	1.9
55.01856	1.9
55.05504	12.3
55.22273	0.8
57.03422	25.2
57.06791	1.8
57.07061	45.2
61.42716	0.7
63.10017	0.7
67.05486	21.8
69.07044	10.9
71.04998	1.5
71.08258	1.4
71.08607	27.0
79.05459	12.8
79.43411	0.9
81.03389	100.0
81.07032	23.0
83.04958	4.5
83.08593	20.7
84.93896	0.9
85.10144	13.0
86.09656	1.7
91.05451	20.4
93.07005	10.2
95.04930	25.6
95.08576	20.9
96.36076	0.8
97.02849	1.9
97.06551	1.5
97.10132	5.8
99.87917	0.8
103.07520	1.2
105.07011	13.0
107.04933	7.0
107.08546	1.6
109.06470	3.7
109.10132	7.5
111.08041	5.4
115.05414	1.3
119.08540	11.1
121.06469	2.3
121.10117	5.8
123.08044	1.5
123.11658	4.2
129.06981	9.3
131.08540	8.1
133.06494	4.2
133.10095	5.3
142.07747	2.0
147.08008	3.3
147.11613	6.9
149.09573	5.0
157.10100	5.8
175.11110	5.8
193.12169	20.8
239.23602	2.1
249.14661	1.2
267.15817	56.0
313.27271	47.7
479.59064	1.1
505.38718	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	523.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87407	1.4
53.03921	2.1
55.01864	6.0
55.05496	16.9
57.03418	1.5
57.07051	15.6
67.05476	17.5
69.03411	6.3
69.07043	45.5
70.18956	1.6
71.04971	2.8
71.08583	2.4
79.05457	17.0
81.07027	100.0
83.08593	22.9
85.02867	8.8
85.06506	18.9
91.05470	3.6
93.07001	33.6
95.04900	2.5
95.08572	71.9
97.06496	12.3
97.10118	7.4
99.08057	3.0
105.06978	19.8
107.08577	32.7
109.06498	3.4
109.10123	34.9
111.07326	3.1
111.08048	56.1
111.11692	6.7
119.08537	10.8
121.10088	24.7
123.08048	2.8
123.11667	25.3
125.09630	2.5
131.08498	2.5
133.10083	11.4
135.11658	14.1
137.13235	12.9
139.11180	1.8
145.10066	3.7
147.11636	7.8
149.09625	1.9
149.13217	13.5
151.11142	6.3
159.11636	3.7
161.13196	8.0
163.11101	3.4
163.14726	3.7
167.14246	1.7
169.37421	1.6
173.13202	2.4
175.14775	3.2
177.16391	2.4
187.14699	2.1
189.16385	3.0
191.17896	2.2
203.17877	2.4
207.17229	1.8
209.18935	3.6
215.17847	2.8
219.20987	2.2
244.36577	1.7
271.24039	9.8
277.25119	6.2
289.25183	38.1
295.26230	6.5
307.26205	58.7
325.27246	31.6
343.28333	3.2
472.46304	1.7
523.28564	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	523.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.1
53.03915	1.3
55.01850	2.5
55.05500	17.8
57.03424	2.0
57.07056	11.9
59.04987	1.4
67.05161	1.3
67.05484	22.6
69.03410	8.9
69.06685	1.8
69.07044	45.3
71.04962	10.6
71.08601	1.2
73.02897	1.3
74.22300	1.0
79.05474	15.1
81.03381	2.2
81.07027	100.0
82.07376	2.3
83.04941	2.1
83.08595	12.1
85.02860	10.3
85.06504	6.9
86.03201	1.2
87.00802	2.6
89.78420	1.0
91.05439	10.2
91.71337	1.1
93.07014	47.4
94.07338	2.4
95.04917	5.3
95.08568	53.7
96.08897	1.8
97.02843	6.6
97.06489	9.6
97.10130	2.4
99.04442	1.6
99.08077	4.9
105.01812	2.6
105.07005	18.0
106.07331	1.3
107.08562	42.9
108.08905	4.6
109.02832	1.4
109.06441	5.1
109.09408	2.3
109.10120	40.2
110.10416	2.0
111.08051	22.9
111.11674	7.6
119.08541	19.3
120.08853	5.2
120.65388	1.3
121.10107	24.3
122.10480	1.1
123.07977	1.5
123.11656	28.7
125.09585	5.8
125.78249	1.1
126.63020	1.1
127.03844	1.9
127.11132	2.4
131.08527	4.5
133.10088	13.2
134.10463	2.2
135.11650	26.6
136.11977	2.8
137.13214	16.3
145.04947	1.6
145.10091	6.3
147.11652	10.7
148.11958	1.9
149.09509	1.4
149.13214	8.2
151.11133	6.3
151.14835	1.4
153.12692	21.2
155.14249	2.0
159.11621	9.8
161.13205	6.8
163.11102	2.8
163.14812	2.5
165.12646	2.0
167.06969	2.3
167.14188	1.8
171.82137	1.3
175.14830	2.4
177.12657	1.7
179.14322	1.2
181.12189	9.0
189.16359	2.6
199.88295	1.2
203.17839	6.1
204.18207	4.9
215.17876	1.8
221.18939	5.5
222.19287	6.4
237.21974	1.3
239.77219	1.1
245.22459	1.6
271.24121	4.5
277.25082	4.3
289.25168	19.0
295.26141	2.4
307.26245	28.7
325.27255	12.6
343.28262	1.2
481.21738	1.5
523.28613	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	523.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48664	0.3
55.05492	2.3
56.28716	0.3
57.07049	0.9
64.20166	0.4
67.05482	3.0
69.03397	1.4
69.07037	3.4
71.04967	0.9
79.05472	2.1
81.07026	10.5
83.08609	2.5
85.02881	1.7
85.06506	1.5
89.99046	0.4
91.05434	2.1
91.74264	0.4
93.07003	8.1
93.48875	0.3
95.04927	0.7
95.08577	8.2
96.08881	0.4
97.02837	0.6
97.06509	0.8
97.10160	0.5
105.06995	2.5
107.08549	4.3
109.10123	4.3
110.96615	0.4
111.08056	1.9
111.11688	0.4
117.06950	0.4
119.08562	3.5
120.08897	1.7
121.06283	0.9
121.10094	3.1
123.08025	0.4
123.11665	3.3
127.11178	0.6
131.08501	0.4
132.08939	0.4
133.06404	0.4
133.10065	1.4
135.11671	2.3
137.05949	0.6
137.13248	0.9
139.11121	0.5
145.02766	0.6
145.10094	1.6
147.11659	0.8
149.09491	0.5
149.13254	1.5
161.13277	0.5
163.14748	0.4
165.08849	0.5
170.09134	0.4
177.05417	0.6
203.05211	0.9
203.17894	0.9
219.13509	1.5
221.18970	0.9
226.41405	0.4
271.24319	0.5
289.25162	0.6
307.26245	2.0
325.27399	0.6
343.22342	18.4
345.23883	25.7
361.23285	2.6
381.18686	0.8
417.34537	0.4
450.85522	0.4
523.28595	100.0
524.28625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70616	1.2
53.03920	1.3
55.01845	4.9
55.05497	17.7
57.03402	1.9
57.06818	1.3
57.07058	18.1
65.03907	1.3
67.05480	18.5
69.03395	6.0
69.07044	40.5
71.04958	6.3
71.08595	5.3
79.05462	18.7
81.07026	100.0
83.04975	1.4
83.08592	27.0
85.02865	9.1
85.06511	23.2
91.05447	10.8
92.63787	1.4
93.07009	37.9
94.33096	1.2
95.04953	3.3
95.08568	71.5
95.53385	1.3
97.02832	2.1
97.06511	9.9
97.10120	9.8
99.08053	5.2
105.07005	18.8
107.08559	32.7
109.06493	5.7
109.10117	30.9
111.08047	48.7
111.11668	5.7
117.06948	1.6
119.08530	13.6
121.10123	28.8
123.08080	2.2
123.11664	23.9
125.09601	2.4
127.11200	1.6
131.08542	2.1
133.10062	12.2
135.11662	15.9
137.13208	16.2
139.11084	2.5
141.09084	1.7
145.10086	7.6
147.11639	9.4
149.09619	3.2
149.13226	14.3
151.11153	6.4
153.12750	2.5
159.11699	9.4
161.13235	2.4
163.11089	5.6
163.14767	9.0
165.12732	2.2
169.12233	2.6
173.13222	2.6
175.14771	2.9
177.16338	2.5
187.14714	2.7
189.16246	3.3
193.15805	1.6
201.16299	1.9
203.18048	1.9
209.18988	5.0
214.45499	1.3
215.17912	5.6
237.21991	1.8
259.24133	1.9
269.07892	2.9
270.08545	2.3
271.08694	2.7
271.24057	10.1
272.09326	2.4
277.25113	5.2
289.25156	40.8
295.26285	6.3
299.08502	3.3
307.26202	51.4
314.07080	2.2
325.27203	31.7
330.06784	6.2
331.06995	6.5
339.71518	1.5
343.28247	1.9
345.08380	2.8
359.11179	11.1
360.11600	13.7
361.11691	29.4
523.28326	10.6
540.82214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13637	1.2
52.36236	1.1
53.03923	2.0
54.80730	1.4
55.01844	2.4
56.36052	1.2
57.03411	1.8
69.03156	1.0
69.03413	16.3
70.98779	1.1
73.02878	1.8
79.05456	3.0
80.31161	1.1
81.03394	13.0
81.07031	1.4
84.08781	1.0
85.02872	12.9
91.05446	12.9
92.09306	1.9
94.50445	1.1
95.04918	2.0
97.02843	5.5
99.04443	1.6
103.05422	7.8
105.07003	8.1
107.04896	2.3
109.02872	5.6
111.04404	2.0
115.05386	2.1
117.06944	1.9
119.04899	17.4
119.08545	2.6
121.06503	2.0
121.10111	1.4
122.03564	2.1
123.04442	1.5
123.11747	1.3
127.03885	6.0
129.06953	2.2
131.04881	18.6
131.08499	1.6
133.06444	6.9
133.10072	1.4
134.37523	1.4
135.04416	2.6
137.05940	100.0
141.06932	1.7
143.04939	2.5
145.06447	6.9
147.04376	27.9
147.08029	1.4
149.05922	6.3
151.07515	29.9
159.08064	1.4
160.05124	2.7
161.05956	12.2
161.09563	2.2
163.03857	1.5
163.07507	15.7
165.09077	2.4
167.06984	2.2
169.06401	2.7
174.06688	4.9
175.07492	13.4
175.14708	1.4
177.05492	9.6
177.09036	2.5
179.06973	15.6
185.05891	1.6
187.07536	5.0
189.09045	8.4
191.06995	6.9
193.08420	1.8
193.15752	2.2
195.07970	2.2
201.05391	1.9
201.09033	5.1
203.06924	2.6
203.89388	1.3
207.10089	2.9
209.08003	1.2
217.08575	1.4
219.10147	1.4
229.08592	5.4
229.18005	1.8
245.08014	1.7
247.09598	1.6
267.11209	1.8
268.12003	1.8
273.11334	3.0
291.12167	8.5
293.09930	1.5
301.11438	1.3
301.46564	1.3
313.11642	5.5
343.15225	2.7
373.13712	1.9
455.14218	1.8
473.15176	8.4
505.17996	5.5
523.18927	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	523.2161
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
53.03925	1.8
55.01846	1.4
57.03406	2.2
67.05463	1.0
69.03400	14.3
71.04949	1.1
73.02866	3.9
77.02274	0.9
79.05448	2.5
81.03371	14.4
82.20251	1.0
83.04940	1.2
85.02871	18.1
91.05442	10.3
91.05942	0.9
93.07037	1.4
94.04125	1.2
97.02840	4.3
98.85716	1.0
99.04383	1.2
103.05420	6.0
105.06998	7.0
107.04909	5.0
109.02827	4.5
109.06411	1.2
111.04414	1.4
111.07960	1.0
115.03925	1.5
115.05421	2.4
117.06963	1.8
119.04898	15.5
119.08553	1.2
121.06459	2.2
121.10121	1.4
122.03589	5.2
123.11637	1.7
127.03854	5.8
128.06218	1.5
128.35672	1.1
128.52548	1.0
129.06950	4.9
131.04878	21.3
131.08450	1.5
133.06450	6.4
133.10069	1.3
135.04305	1.5
135.07996	1.2
137.05920	100.0
143.04846	1.3
143.08611	1.3
144.72618	1.2
145.06404	7.1
147.04349	27.8
147.08023	1.6
148.05096	1.4
149.05878	9.9
151.07484	33.5
157.06531	1.5
159.07999	1.8
160.05156	2.3
161.05928	11.7
161.09578	1.6
163.07472	16.4
165.09038	4.3
167.07021	2.2
169.06372	4.5
171.07939	1.6
173.05928	1.5
174.06802	1.5
175.07463	16.3
175.14793	1.2
177.05391	7.9
177.09004	2.1
179.06963	19.4
181.06392	1.1
181.08456	2.0
185.05888	1.3
187.07437	5.2
189.09052	8.1
191.06903	7.7
193.08540	2.1
193.15865	1.1
195.07980	2.4
199.07433	1.2
201.09016	2.1
203.06960	5.3
205.08551	1.8
207.10083	7.2
209.08040	1.7
215.42706	1.2
217.08508	1.9
219.09979	1.3
226.07269	1.1
226.10966	1.5
229.08487	4.6
231.10091	1.5
239.11714	1.9
245.07974	1.4
247.09564	1.1
253.09669	1.6
267.11115	2.2
273.11209	5.4
291.12198	6.0
295.10635	1.7
297.11362	2.2
299.12723	1.3
302.08215	1.0
302.11597	1.1
309.13037	1.2
313.11621	4.2
331.15256	1.7
343.15164	2.5
373.13861	1.8
409.13647	1.3
455.14566	4.1
473.15103	6.9
491.16458	1.7
505.18127	7.3
523.18976	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.4
55.55909	6.2
58.75666	6.5
59.71069	5.7
60.89018	6.0
61.94285	5.6
67.05479	26.3
69.07041	12.5
75.29107	6.2
79.05457	13.3
81.07019	43.3
83.08611	8.3
86.09682	7.2
91.05444	12.1
93.07004	54.4
95.08561	71.4
97.10159	9.3
99.08060	12.9
99.17896	6.7
105.06993	45.8
107.08549	66.5
108.29547	7.0
109.10133	44.8
119.08552	100.0
121.10101	41.8
123.11658	15.1
131.08528	41.3
133.10098	64.1
135.11649	26.4
138.52892	7.2
143.08539	9.7
145.10085	70.5
147.11653	58.5
149.13188	8.5
157.10071	10.4
159.11618	39.8
161.13229	25.0
165.78775	6.5
173.13072	51.3
175.14735	10.8
185.13243	12.7
186.07748	7.5
187.14767	77.7
189.16312	12.3
201.16313	62.7
203.17900	11.2
239.16360	28.7
245.63449	6.8
359.49551	6.9
393.14792	7.3
441.33548	93.5
459.34515	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	522.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78688	1.4
52.80948	1.7
55.01861	1.8
55.05490	10.9
57.07061	3.3
67.05470	15.8
69.03398	7.4
69.07040	29.6
71.04960	1.8
71.08601	1.7
79.05447	12.6
81.07025	52.9
83.04929	2.4
83.08598	11.2
85.02854	3.1
85.06515	2.3
91.05434	17.4
93.07001	46.3
95.04951	2.9
95.08575	57.7
97.02872	1.6
97.06487	6.4
97.10140	7.2
99.08058	7.1
105.06991	44.4
105.64212	1.6
107.08556	72.4
109.06487	9.3
109.10117	33.5
111.08056	28.6
117.06987	7.3
119.08537	62.7
121.06454	6.6
121.10081	43.8
122.10440	1.8
123.08038	4.0
123.11651	17.9
125.09602	20.3
129.06967	7.0
130.05031	1.6
131.08528	37.9
133.10078	51.2
135.07956	2.3
135.11650	22.2
136.29575	1.8
137.09557	10.2
137.13245	2.4
139.11095	2.0
143.08543	13.3
145.10097	36.5
147.11652	33.8
149.09573	8.2
149.13203	21.1
151.11166	7.1
153.09192	2.1
155.08505	3.4
157.10085	23.4
159.11632	29.1
161.13203	20.9
163.11177	2.8
163.14792	14.5
169.10062	7.4
170.10704	2.3
171.11638	13.9
173.13203	39.3
175.14766	24.7
177.16309	3.5
183.11638	3.2
185.13159	14.9
187.14775	21.4
188.15234	2.0
189.16319	14.0
189.56253	2.1
191.14278	8.3
191.17854	3.8
195.11659	2.3
197.13219	3.5
199.14781	21.6
201.12769	1.6
201.16322	41.3
203.14211	2.2
203.17943	3.8
205.15869	7.7
209.13124	2.5
211.14760	2.8
213.16292	24.7
215.14594	2.5
215.17885	100.0
217.15793	2.0
217.19421	3.7
219.17262	2.4
221.15289	2.0
223.16920	2.8
225.16356	7.1
227.17856	47.4
229.19496	17.8
237.16301	7.3
239.18001	14.8
241.19472	21.3
243.21005	6.9
247.16795	3.4
253.19408	3.5
255.21046	8.8
259.16913	3.0
261.18378	48.2
267.21008	2.4
269.22586	8.8
273.18405	27.3
275.20068	2.2
279.20963	2.9
287.20135	8.1
307.26172	7.0
313.21674	1.9
325.27255	43.6
349.40015	1.9
375.30231	14.3
393.31363	68.2
405.31750	2.3
411.32452	13.3
421.30740	16.9
423.32245	6.7
439.31964	54.5
441.33533	2.6
451.31760	6.4
457.32968	92.1
458.33252	2.5
459.33133	1.9
487.34152	3.2
492.36725	3.7
522.26630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	11.4
55.55909	6.2
58.75666	6.5
59.71069	5.7
60.89018	6.0
61.94285	5.6
67.05479	26.3
69.07041	12.5
75.29107	6.2
79.05457	13.3
81.07019	43.3
83.08611	8.3
86.09682	7.2
91.05444	12.1
93.07004	54.4
95.08561	71.4
97.10159	9.3
99.08060	12.9
99.17896	6.7
105.06993	45.8
107.08549	66.5
108.29547	7.0
109.10133	44.8
119.08552	100.0
121.10101	41.8
123.11658	15.1
131.08528	41.3
133.10098	64.1
135.11649	26.4
138.52892	7.2
143.08539	9.7
145.10085	70.5
147.11653	58.5
149.13188	8.5
157.10071	10.4
159.11618	39.8
161.13229	25.0
165.78775	6.5
173.13072	51.3
175.14735	10.8
185.13243	12.7
186.07748	7.5
187.14767	77.7
189.16312	12.3
201.16313	62.7
203.17900	11.2
239.16360	28.7
245.63449	6.8
359.49551	6.9
393.14792	7.3
441.33548	93.5
459.34515	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	522.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81511	2.0
55.01846	2.9
55.05497	21.5
57.07045	5.3
65.03918	2.8
67.05483	22.2
69.03384	4.5
69.07047	27.7
71.08588	2.0
79.05448	18.7
81.07024	53.3
82.22379	2.4
83.04951	65.9
83.05444	3.7
83.08588	9.2
85.02895	3.9
91.05446	31.5
93.07014	55.2
95.04903	15.6
95.08569	67.1
97.06472	3.9
97.10126	4.0
105.07001	50.5
107.08565	91.4
109.06482	5.7
109.10124	34.8
111.08042	5.6
117.06969	13.2
119.08549	66.9
121.10107	48.9
123.08008	9.9
123.11636	21.4
125.09596	17.9
129.06963	12.6
131.08508	35.9
133.10089	60.5
135.08061	3.9
135.11655	28.2
137.09584	4.7
139.44841	2.4
140.43936	2.8
141.55426	2.6
143.08524	20.1
145.10071	41.5
147.08011	4.0
147.11642	35.2
149.09561	3.9
149.13229	20.6
151.11107	5.5
155.08522	4.1
157.10056	32.4
159.11638	39.6
160.12054	2.3
161.13214	24.9
163.11087	2.9
163.14751	14.2
169.10088	12.6
171.11649	22.0
172.12390	2.3
173.13193	41.3
175.14809	21.5
177.16255	3.7
183.11649	15.8
185.13184	15.7
187.14767	19.4
189.16231	9.7
191.14275	13.2
195.11693	3.5
197.13083	8.7
199.14769	29.6
201.12596	2.3
201.16338	42.5
203.14232	10.1
203.17796	3.3
205.12126	2.7
209.13187	3.8
211.14740	4.9
213.16356	29.2
215.17877	86.1
217.15790	4.5
223.14746	4.3
225.16306	11.2
227.17894	49.6
229.15770	3.6
229.19435	15.4
231.17334	3.0
237.16414	8.9
239.17867	14.1
241.19398	24.6
251.17793	3.0
253.19385	9.3
255.21027	3.7
259.16977	4.6
261.18451	39.7
265.19327	3.0
267.20789	3.2
269.22556	3.5
273.18417	23.5
279.20828	3.2
287.19864	3.8
307.26065	11.4
347.27026	4.5
360.22116	4.1
363.30017	4.0
375.30273	9.6
387.29996	5.1
393.27692	5.1
393.31592	43.8
405.31354	23.2
421.30872	20.2
423.32278	10.3
433.30893	3.5
439.31931	68.4
451.31931	17.8
457.32800	13.8
469.33060	100.0
487.33987	4.2
522.27063	5.2
530.99011	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	522.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78688	1.4
52.80948	1.7
55.01861	1.8
55.05490	10.9
57.07061	3.3
67.05470	15.8
69.03398	7.4
69.07040	29.6
71.04960	1.8
71.08601	1.7
79.05447	12.6
81.07025	52.9
83.04929	2.4
83.08598	11.2
85.02854	3.1
85.06515	2.3
91.05434	17.4
93.07001	46.3
95.04951	2.9
95.08575	57.7
97.02872	1.6
97.06487	6.4
97.10140	7.2
99.08058	7.1
105.06991	44.4
105.64212	1.6
107.08556	72.4
109.06487	9.3
109.10117	33.5
111.08056	28.6
117.06987	7.3
119.08537	62.7
121.06454	6.6
121.10081	43.8
122.10440	1.8
123.08038	4.0
123.11651	17.9
125.09602	20.3
129.06967	7.0
130.05031	1.6
131.08528	37.9
133.10078	51.2
135.07956	2.3
135.11650	22.2
136.29575	1.8
137.09557	10.2
137.13245	2.4
139.11095	2.0
143.08543	13.3
145.10097	36.5
147.11652	33.8
149.09573	8.2
149.13203	21.1
151.11166	7.1
153.09192	2.1
155.08505	3.4
157.10085	23.4
159.11632	29.1
161.13203	20.9
163.11177	2.8
163.14792	14.5
169.10062	7.4
170.10704	2.3
171.11638	13.9
173.13203	39.3
175.14766	24.7
177.16309	3.5
183.11638	3.2
185.13159	14.9
187.14775	21.4
188.15234	2.0
189.16319	14.0
189.56253	2.1
191.14278	8.3
191.17854	3.8
195.11659	2.3
197.13219	3.5
199.14781	21.6
201.12769	1.6
201.16322	41.3
203.14211	2.2
203.17943	3.8
205.15869	7.7
209.13124	2.5
211.14760	2.8
213.16292	24.7
215.14594	2.5
215.17885	100.0
217.15793	2.0
217.19421	3.7
219.17262	2.4
221.15289	2.0
223.16920	2.8
225.16356	7.1
227.17856	47.4
229.19496	17.8
237.16301	7.3
239.18001	14.8
241.19472	21.3
243.21005	6.9
247.16795	3.4
253.19408	3.5
255.21046	8.8
259.16913	3.0
261.18378	48.2
267.21008	2.4
269.22586	8.8
273.18405	27.3
275.20068	2.2
279.20963	2.9
287.20135	8.1
307.26172	7.0
313.21674	1.9
325.27255	43.6
349.40015	1.9
375.30231	14.3
393.31363	68.2
405.31750	2.3
411.32452	13.3
421.30740	16.9
423.32245	6.7
439.31964	54.5
441.33533	2.6
451.31760	6.4
457.32968	92.1
458.33252	2.5
459.33133	1.9
487.34152	3.2
492.36725	3.7
522.26630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
54.81209	1.7
55.01850	1.3
55.05490	8.3
57.03419	1.4
57.07057	2.5
57.31884	1.0
63.56813	1.1
63.99015	1.2
65.03903	1.3
67.05482	20.5
69.03407	6.3
69.07037	23.0
69.83894	1.2
71.04976	15.9
71.24995	1.2
79.05451	7.2
79.61763	1.2
81.07021	67.3
83.08580	9.1
85.02882	6.0
85.06525	2.1
88.09702	1.3
91.05437	6.8
93.07005	34.5
95.04943	7.0
95.07948	3.2
95.08566	100.0
97.02871	1.9
97.06506	7.8
97.10139	3.1
99.08040	3.1
105.06982	13.1
105.38403	1.3
106.39682	1.2
107.08543	21.8
109.06481	3.0
109.10122	29.2
111.08038	30.0
111.11682	1.8
116.55497	1.6
119.08543	9.6
121.10083	19.0
123.08030	2.0
123.11661	33.0
125.09573	2.4
127.03895	1.9
127.11151	6.1
131.08524	2.6
133.10068	8.9
135.11629	10.0
137.13208	45.5
139.11157	3.0
145.10072	5.8
147.11613	16.0
149.13228	17.9
151.11195	1.7
153.12727	2.6
153.84534	1.5
159.11667	7.1
161.13177	2.6
163.14769	3.1
165.12720	9.2
175.14671	1.9
177.16301	3.0
179.17827	2.0
187.14697	2.0
189.16336	2.4
191.17885	1.9
203.17857	2.7
209.19051	1.9
215.18042	2.1
217.19708	1.3
219.21120	1.9
221.18974	1.5
227.17918	1.8
237.18390	3.1
271.24152	2.7
277.25131	17.2
289.25201	14.4
295.26166	14.1
307.26181	55.7
325.27231	31.6
364.73694	1.4
393.31387	1.9
439.31891	2.3
522.27136	2.3
523.28418	6.0
544.70947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16920	0.4
53.03928	1.3
54.81073	0.6
55.01849	0.9
55.05493	13.1
56.80650	0.5
57.03419	3.2
57.07054	7.3
58.74239	0.5
58.92335	0.6
59.04988	0.7
64.87440	0.5
66.04353	0.5
67.05152	0.8
67.05482	13.2
68.56375	0.5
69.03409	5.0
69.07043	50.4
69.56313	0.5
71.04969	3.1
71.08607	2.7
72.72861	0.6
73.06503	0.5
79.05459	10.2
81.03393	0.8
81.07026	40.6
83.04950	2.3
83.08588	21.7
85.02851	4.8
85.06518	1.4
87.04425	3.2
91.05449	14.1
91.85342	0.5
92.08691	2.0
93.07008	100.0
95.04932	19.5
95.08569	42.7
97.02858	1.3
97.06500	7.1
97.10134	6.6
99.08039	1.2
105.06995	13.4
105.27557	0.5
107.08560	21.2
109.06477	4.7
109.10119	22.3
109.10867	0.8
111.08039	12.5
111.11673	2.9
111.51593	0.5
117.06977	0.9
119.08544	9.4
121.06419	1.0
121.10100	25.5
123.08045	3.4
123.11645	13.4
125.09580	4.8
127.11156	0.6
131.08533	3.8
133.10078	6.6
135.11633	6.2
137.09575	2.5
137.13242	3.0
139.11156	3.7
145.10103	6.7
147.11636	6.3
149.09583	2.4
149.13202	12.0
151.11124	2.3
151.14810	1.0
157.18787	0.7
159.11624	7.4
161.13206	4.2
163.03894	0.6
163.11102	2.8
163.14784	2.4
165.12656	0.8
167.10672	0.9
167.14259	2.4
173.13103	1.2
175.14754	2.2
177.12616	0.6
177.16350	3.1
185.15292	2.2
187.14714	1.0
189.09163	0.6
189.16371	0.9
191.17845	0.8
201.16322	0.7
203.17932	0.8
209.18977	2.2
215.17824	1.4
217.19391	0.7
231.41383	0.7
249.22050	0.8
261.25494	0.7
271.24158	7.7
286.09836	0.7
289.25146	15.5
295.26239	7.6
307.26215	50.5
325.27255	31.2
521.41248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.2
56.05007	0.8
57.03398	0.5
57.07037	0.4
58.06564	0.7
59.98324	0.4
60.08142	21.2
63.09037	0.4
65.23327	0.4
67.05473	0.9
69.07040	3.3
69.82629	0.3
71.07343	7.9
76.54621	0.4
79.05475	0.6
81.07009	1.7
83.08583	1.7
86.09674	66.4
93.06985	0.9
95.08565	0.9
98.98431	4.0
104.10705	100.0
114.19479	0.4
114.35094	0.4
116.87667	0.4
121.10091	0.7
124.99957	43.2
129.63681	0.4
163.01466	0.7
184.07274	100.0
258.11011	0.5
307.95715	0.4
339.28806	0.5
422.69818	0.5
504.34366	7.9
522.35364	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80863	0.1
55.05495	0.6
56.05018	0.2
57.03430	0.2
57.07063	0.5
58.06593	0.5
60.08145	8.6
67.05490	0.4
69.07035	0.8
70.06548	0.1
71.07347	3.5
71.95453	0.1
79.05464	0.3
79.29740	0.1
81.07038	0.5
83.08576	0.2
86.09678	45.5
88.07628	0.1
93.07016	0.5
95.08572	0.3
97.10158	0.2
98.98428	3.7
104.10709	3.8
105.07003	0.2
109.10128	0.2
121.10095	0.2
124.99963	33.3
135.11674	0.2
143.01021	0.7
149.02332	0.5
149.03435	0.1
184.07283	100.0
185.07587	0.2
193.04915	0.2
237.07542	0.5
312.32584	0.2
339.28775	0.1
504.34253	1.1
522.35333	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68561	1.0
53.93714	1.1
55.01853	1.2
55.05498	9.5
57.03421	15.6
57.07051	1.8
59.04969	2.1
61.02900	2.9
67.05478	11.9
69.03405	21.0
69.07047	17.6
71.04958	6.7
73.02883	24.8
79.05449	9.1
81.03373	5.9
81.07025	31.5
83.04958	2.0
83.08569	5.4
85.02880	23.5
85.06504	15.9
87.00768	1.1
87.04453	1.9
90.61122	1.0
91.05447	10.0
93.07011	35.3
94.07336	2.6
95.04926	5.1
95.08570	26.0
97.02843	20.6
97.06506	2.2
99.04398	2.0
99.08056	72.3
103.98547	1.0
105.06988	21.2
106.07297	1.8
107.04839	1.1
107.08556	30.2
109.02840	2.8
109.06504	2.7
109.10117	23.6
110.81488	1.2
111.08030	7.5
115.03902	14.5
117.03341	2.3
117.06995	1.3
119.08531	37.7
121.10097	21.6
122.10446	2.2
123.08002	2.8
123.11677	8.8
125.09564	2.0
127.03857	7.6
131.03770	1.3
131.08510	4.6
133.04924	4.6
133.10077	100.0
134.10442	2.1
135.11630	28.9
137.05934	6.1
137.09584	8.1
139.11119	2.1
143.08481	1.4
145.02827	10.3
145.04910	4.6
145.10074	7.7
146.03105	5.3
147.11653	11.0
149.13190	7.2
151.11151	2.4
153.09142	1.2
153.12723	1.5
157.10051	2.3
159.11583	2.8
161.13210	2.3
163.14758	5.0
171.11621	4.6
173.13150	6.4
175.14755	48.0
177.05431	13.7
177.09067	1.5
177.16292	4.9
178.05730	7.2
181.15866	2.2
187.11133	1.9
187.14737	5.2
189.08861	1.2
193.15813	52.4
201.16386	1.3
211.16861	12.4
233.11172	1.1
259.07925	1.8
305.24460	1.9
323.25629	2.2
537.72949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.55854	0.4
55.01844	0.5
55.05270	0.6
55.05497	7.9
57.03410	3.6
58.18826	0.4
59.79525	0.4
61.02913	1.6
61.43262	0.3
67.05479	3.9
69.03410	5.6
69.07044	12.8
70.06567	6.9
71.01327	0.5
71.04948	1.6
73.02893	6.1
79.05466	3.2
81.03389	0.9
81.07030	12.4
83.04947	1.0
83.08590	3.6
85.02879	8.2
85.06538	0.5
86.09677	0.5
87.04428	0.5
91.05441	11.4
93.07004	6.9
95.04939	0.7
95.08572	13.1
97.02853	6.2
99.04389	0.6
99.08076	0.7
103.05453	0.5
103.31181	0.5
105.07002	22.2
107.04958	0.5
107.07887	0.8
107.08568	19.0
107.09297	0.6
109.02819	1.0
109.06472	1.8
109.10120	9.3
111.07999	0.5
115.03910	3.8
117.06268	0.4
117.06955	4.3
118.82462	0.5
119.08540	100.0
120.08057	1.9
121.10110	6.0
123.08042	1.7
123.11666	6.9
127.03883	2.5
127.08643	0.5
127.11135	0.5
131.08539	3.1
133.04909	0.7
133.10081	32.9
135.11661	7.6
137.09578	2.0
141.05396	0.6
145.04910	0.7
145.10086	3.3
147.11644	5.4
151.14676	0.5
157.10234	0.5
159.11726	0.5
160.12436	0.4
161.13164	0.6
163.03925	0.8
163.05972	1.7
173.13193	0.6
175.14763	72.2
177.05305	0.4
191.14211	1.0
193.15848	4.2
211.16885	4.6
224.41789	0.4
229.15387	1.9
259.07956	0.5
295.10324	3.3
359.27460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.62053	0.5
53.64840	0.6
55.01848	0.7
55.05478	3.4
57.03418	14.6
57.07072	1.0
59.04967	0.8
60.04504	0.6
61.02896	4.4
66.09413	0.7
67.05473	2.7
69.03037	1.1
69.03401	26.6
69.07023	5.5
69.16581	0.5
71.01333	0.9
71.04094	0.6
71.04958	3.4
73.02499	0.9
73.02888	16.4
75.04430	0.7
79.05447	3.8
81.03383	3.2
81.07026	16.0
83.08578	0.8
85.02870	25.5
87.04431	9.8
91.05437	3.8
93.07025	8.1
94.69093	0.6
94.89782	0.7
95.04910	0.9
95.08566	21.4
97.02854	25.6
97.06494	0.8
99.04392	1.3
99.08098	5.1
101.02322	0.6
105.06990	10.5
107.04939	0.6
107.08550	16.3
109.02840	1.5
109.06435	1.1
109.10126	8.4
111.08000	0.7
113.09596	2.9
113.56202	0.7
115.03878	16.1
119.08535	56.1
121.10105	7.0
121.24723	0.6
123.04391	0.8
123.07999	3.3
123.11639	6.7
125.09630	1.2
127.03885	5.5
131.08484	1.3
133.04906	10.4
133.10083	100.0
135.11636	29.2
137.05951	0.7
137.09532	5.4
139.11131	1.2
145.04890	3.4
145.10083	0.8
147.11642	5.2
149.09506	0.7
149.13171	1.1
150.07574	1.0
151.11127	0.8
163.05971	1.2
175.14755	77.9
193.15807	18.3
211.16849	42.4
211.18867	1.4
259.07916	1.3
295.10077	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.9
53.03926	5.6
55.01856	8.3
55.05492	14.0
57.03422	7.3
57.07060	6.2
59.04963	1.0
61.02902	6.7
67.05484	15.3
68.99772	4.4
69.03404	30.5
69.07044	23.9
71.04964	24.5
73.02877	6.1
73.06521	1.3
77.03871	0.5
79.05002	0.9
79.05458	20.1
81.02945	0.9
81.03391	19.9
81.07025	100.0
82.07343	0.6
83.04930	3.2
83.08596	8.5
83.67112	0.6
85.02877	66.8
85.06493	2.8
87.00797	38.4
87.04424	2.2
91.03909	0.6
91.05435	14.3
92.21454	0.6
93.07010	49.2
95.04922	6.8
95.08571	48.7
97.02854	28.1
97.06474	5.0
97.10124	2.4
99.04413	9.1
99.08031	4.1
103.03899	1.0
103.05408	0.7
105.01829	27.3
105.06997	52.0
105.57190	0.5
107.04932	0.7
107.08558	67.7
109.02158	1.1
109.02845	19.5
109.06480	2.9
109.10122	43.6
109.10870	1.5
110.10441	0.9
111.04384	1.2
111.08019	3.1
111.11676	2.5
115.03869	3.8
117.01797	2.2
117.06966	4.4
119.08538	67.9
121.06474	2.2
121.10098	23.3
123.08003	2.7
123.11653	23.3
125.09577	3.1
127.03868	29.7
127.04810	0.7
127.11147	18.8
129.01787	3.3
129.06967	1.3
131.08572	5.8
133.10086	34.7
135.04405	0.7
135.08032	1.0
135.11646	82.4
137.05904	1.2
137.09549	3.1
137.13211	3.6
139.11076	0.7
141.06992	0.7
142.07744	1.2
143.08517	3.4
143.10600	5.5
144.09294	0.7
145.04910	9.8
145.10095	10.6
147.02864	1.2
147.11642	36.2
149.09612	0.7
149.13225	12.7
151.07436	0.8
151.11188	4.9
153.12750	6.4
155.08466	0.8
156.09216	0.8
157.10071	7.0
159.02802	6.8
159.07936	1.3
159.11644	9.8
161.09579	0.8
161.13211	15.0
163.07478	1.2
163.11183	0.9
163.14697	4.6
167.10576	0.9
169.10115	0.7
171.07990	0.8
171.11617	3.9
173.09517	0.8
173.13242	3.2
175.11104	0.6
175.14746	3.7
177.09019	2.5
177.16293	1.0
179.08585	0.8
181.10066	1.3
183.11578	2.1
185.09496	0.7
185.13194	2.1
187.14738	1.3
189.03902	1.2
189.08984	0.7
189.12668	1.3
189.16354	2.3
191.14206	0.7
197.13248	1.2
199.14671	0.8
201.12662	0.8
201.16321	2.7
203.17886	49.0
205.19411	3.0
211.16772	0.9
213.16347	0.7
215.14342	0.7
215.17952	1.2
219.17308	1.0
221.18938	58.2
223.14847	0.8
225.12686	0.8
225.16251	0.6
226.32144	0.7
231.04979	4.3
233.18851	1.0
239.19957	2.9
245.18881	1.1
249.05942	2.8
251.19981	1.0
263.19934	1.0
275.20090	0.7
287.20090	0.9
305.24500	0.9
306.24847	0.7
311.20071	4.0
316.08771	1.0
323.25659	0.8
324.25961	0.8
329.20947	2.6
343.07861	0.8
344.08362	4.1
345.09134	1.4
347.22113	0.8
359.11200	5.7
360.11435	13.2
415.21042	1.1
433.22037	2.8
451.23044	4.8
460.39590	0.6
469.24088	1.0
495.60165	0.6
515.51776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
53.03925	5.0
55.01859	9.3
55.05499	15.0
57.03423	6.9
57.07051	7.3
59.04987	1.5
61.02906	5.8
65.03922	1.8
67.05484	17.6
68.99791	1.4
69.03410	32.2
69.07046	22.7
70.26481	1.1
71.04971	25.0
72.78986	1.0
73.02881	7.0
74.58757	1.0
79.05460	20.1
81.03391	19.3
81.07030	100.0
83.04946	1.8
83.08604	8.5
85.02882	62.6
85.06543	1.8
87.00802	37.0
87.04433	1.5
87.92432	1.2
91.05456	13.5
91.47730	1.1
93.07015	54.2
95.04959	6.1
95.08576	46.4
97.02855	31.1
97.06500	6.3
97.10128	2.8
99.04417	7.7
99.08080	4.8
105.01828	17.9
105.07001	49.0
106.01405	1.2
107.04921	1.5
107.08566	69.2
109.02842	18.9
109.06500	5.1
109.10121	45.0
111.04429	1.8
111.08038	2.6
111.11688	1.9
115.03889	1.9
117.07014	4.6
119.08544	71.0
119.29308	1.1
121.10098	24.0
123.08029	2.3
123.11665	23.1
125.09595	7.0
127.03895	28.5
127.11147	17.9
127.94477	1.1
129.01826	2.2
129.06949	2.2
131.08534	7.8
133.10078	35.0
135.11652	71.4
135.12703	2.4
137.09607	2.3
137.13237	4.9
143.08502	2.3
143.10651	4.3
145.04898	8.1
145.10086	7.6
147.02855	1.3
147.11649	30.1
147.36801	1.2
149.09607	1.6
149.13216	12.7
153.12746	6.7
155.08459	1.5
156.09230	1.1
157.10098	5.4
159.02853	7.0
159.11624	8.4
161.13164	12.9
163.14755	2.7
165.12718	2.3
169.10042	1.7
171.11644	2.1
173.13222	2.2
175.11153	1.5
175.14758	6.7
177.16362	1.6
183.11670	1.5
189.08907	1.3
189.16377	2.0
193.15744	2.2
201.12822	1.5
203.17902	46.0
203.19739	2.1
205.19510	2.8
211.16942	5.9
211.66147	1.1
221.18932	51.4
223.20811	1.3
231.04947	2.4
239.20056	1.8
245.18997	1.3
294.39536	1.1
311.19907	2.1
329.21011	2.3
345.09024	1.7
360.11499	2.4
363.15598	1.2
424.26111	1.3
433.22278	1.8
451.23068	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01846	0.6
55.05489	2.2
57.03154	0.5
57.03418	14.1
61.02893	2.1
61.41438	0.3
63.32960	0.4
69.03407	3.5
71.01314	0.7
71.04962	80.2
73.02880	3.5
75.04456	5.1
81.03397	0.8
83.04942	10.4
85.02872	100.0
87.04427	2.3
89.03872	0.4
90.09015	0.4
91.05439	1.0
92.09326	0.6
93.06991	0.5
95.04923	2.1
97.02850	4.7
99.04431	2.7
101.05961	0.6
103.03835	0.5
105.07029	0.9
107.08559	0.6
109.02841	0.9
109.06473	0.8
111.04412	5.1
119.04925	0.7
119.08541	1.0
121.10059	0.8
127.03860	2.8
129.05431	24.9
131.04831	0.5
133.10075	1.7
137.05925	40.9
141.00476	0.4
145.02808	0.7
145.04930	0.8
147.04417	2.1
147.06465	11.8
147.11635	0.7
151.07468	4.2
153.09067	0.5
161.05865	0.6
162.07536	0.5
163.03816	1.8
164.09186	2.0
167.07072	0.5
173.05957	0.4
175.07529	0.7
177.05431	1.7
179.06970	10.6
187.07506	0.5
191.06979	2.1
191.14198	0.5
193.08507	0.5
197.08078	2.6
201.08981	0.6
203.06996	2.1
205.08569	0.6
209.15239	0.9
211.09601	2.6
221.08038	2.5
227.16307	1.6
229.08455	0.6
231.03618	0.4
231.06245	0.6
233.08127	0.5
239.09090	2.4
247.09604	0.9
249.07498	1.0
255.08482	0.5
263.09161	0.9
271.09674	0.8
289.10565	5.8
307.11734	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
54.81075	0.1
57.62751	0.1
59.24520	0.1
59.28367	0.1
60.02266	0.1
61.60939	0.1
64.32658	0.1
65.91795	0.1
72.21053	0.1
79.05462	0.6
81.99310	0.1
84.94234	0.1
85.02904	0.1
91.05437	0.3
93.07021	1.2
101.41743	0.1
103.05431	4.9
107.04916	1.8
119.04913	0.3
119.07320	0.1
120.08062	100.0
121.08389	0.8
131.04871	2.8
147.04382	2.3
149.05910	1.7
163.03824	0.3
166.08575	25.9
208.97606	0.1
401.22491	0.1
413.80844	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	521.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01848	11.9
55.05497	31.0
57.03425	3.8
57.07057	50.7
62.40108	1.6
67.05476	25.1
69.07044	16.2
71.04964	3.0
71.08604	27.3
73.76263	1.5
74.22157	1.6
78.19255	1.9
79.05453	28.1
81.03385	12.9
81.07030	42.0
82.21153	2.1
83.01310	9.3
83.04938	14.4
83.08582	19.5
85.02881	3.0
85.10156	9.9
88.30753	1.8
91.05450	20.9
92.08676	4.5
93.07018	24.7
95.04931	9.9
95.08564	31.4
96.48559	1.8
97.02874	2.5
97.06481	3.2
97.10156	3.3
103.05465	2.9
105.06998	11.6
107.04867	3.8
107.08569	9.0
109.06506	4.1
109.10134	10.5
114.80575	2.0
117.07011	3.3
119.08540	8.4
121.10081	7.7
123.08032	4.4
123.11656	2.9
130.07730	2.1
135.11668	7.7
135.25662	2.0
145.10110	12.6
147.08040	2.2
163.11124	16.2
209.11781	3.3
239.23811	2.9
414.43115	2.0
442.47308	2.0
521.38184	100.0
523.19373	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
54.22427	1.7
55.01841	4.8
55.05244	2.9
55.05495	64.1
55.77676	1.9
56.75307	1.7
57.03414	11.2
57.07061	23.5
58.90857	1.9
67.05480	37.2
67.33621	2.0
69.07038	50.6
70.38457	2.1
71.04974	4.3
71.08607	14.0
77.85066	1.9
79.05457	28.5
80.32574	2.0
81.03384	30.7
81.07029	47.3
83.04954	12.3
83.08586	47.4
85.02877	15.3
85.10155	2.2
91.05447	40.7
93.07014	32.3
95.04946	14.8
95.08575	25.4
97.06488	5.3
97.10130	25.6
105.06989	26.7
107.04942	4.2
107.08566	10.7
109.10131	3.8
111.08030	3.4
111.11661	3.3
117.06977	2.3
119.08543	15.0
121.10098	16.2
124.11951	2.3
124.42331	2.8
129.06970	4.9
131.08507	9.9
133.10094	12.2
135.11655	2.8
142.07718	2.8
147.11664	9.9
149.09599	2.8
149.13176	2.2
157.10014	3.9
175.11119	4.6
193.12135	20.1
211.13200	12.9
225.04405	2.4
237.21994	5.4
267.15854	3.9
311.25616	3.7
521.38580	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3465
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
50.72356	1.3
53.03904	1.7
55.01847	2.9
55.05494	14.3
57.03422	2.5
57.07058	3.0
66.09903	1.4
66.36797	1.4
67.05475	17.2
69.03388	8.7
69.03724	1.3
69.07040	29.0
71.04965	6.3
73.06535	1.7
74.72382	1.4
75.04453	2.7
76.54765	1.9
79.05458	19.2
81.03372	2.3
81.07024	45.0
83.04958	5.5
83.08579	9.6
85.02871	8.4
85.06516	3.7
86.78091	1.5
89.54733	1.4
91.05433	24.7
92.08726	3.1
93.07003	58.6
95.04910	9.2
95.08569	50.8
97.02810	1.6
97.06475	9.9
97.10120	3.1
99.04420	1.7
99.08050	2.7
105.07001	60.5
107.04927	1.8
107.08555	66.2
109.06478	7.0
109.10120	38.6
111.08063	10.7
113.06006	3.0
115.05423	1.5
117.06976	9.3
119.08533	78.3
120.08859	2.4
121.06464	5.1
121.10099	64.3
123.08017	7.7
123.11671	18.2
125.09589	2.1
127.11075	2.3
128.06160	1.9
129.06963	6.4
131.08517	35.0
133.06465	2.2
133.10080	80.6
135.08006	7.1
135.11644	28.2
137.05954	3.6
137.09552	8.5
137.13188	3.2
142.07744	6.9
143.08524	28.7
144.09291	3.6
145.10081	67.3
147.08058	2.8
147.10477	3.2
147.11638	80.5
149.09560	6.7
149.13222	14.4
151.07573	2.5
151.11086	2.9
151.14742	2.0
155.08496	8.3
156.09285	7.4
157.10081	32.8
158.10872	6.7
159.07957	3.0
159.11633	59.7
161.09615	5.8
161.13162	20.1
163.03888	2.0
163.07492	1.8
163.11098	13.0
163.14786	6.6
165.12701	1.9
169.10072	12.8
170.10812	1.9
171.11627	38.6
173.09625	1.9
173.11723	1.9
173.13188	46.2
174.13838	1.6
175.11150	9.0
175.14740	30.8
177.09021	2.8
177.12732	7.0
177.16328	29.3
182.10846	6.1
183.11658	12.2
184.12408	2.2
185.13193	21.7
187.11099	2.4
187.14749	49.5
189.12726	3.3
189.16315	19.0
191.14203	2.6
191.17845	3.7
197.13193	25.9
199.14790	10.5
201.12721	9.7
201.16333	16.9
203.14261	8.1
205.15804	79.0
207.17433	3.5
211.14761	3.2
213.16234	11.7
215.14233	42.1
215.17830	6.0
217.15700	2.2
219.17360	6.7
227.17963	2.2
233.15219	15.1
237.18456	2.5
261.14749	3.6
279.15771	24.2
279.20898	1.9
300.74271	1.7
305.24567	3.2
319.08517	2.0
323.25674	7.2
329.06531	3.5
341.20718	3.0
344.08627	1.6
353.28162	2.3
359.10916	3.0
359.21713	3.0
391.29456	2.2
403.29807	6.5
409.30719	3.8
421.30820	12.9
439.31897	22.3
449.30856	2.2
455.31458	3.6
457.32855	9.4
467.31442	26.2
485.32468	100.0
486.32867	2.4
503.33502	13.8
517.79926	1.7
521.26941	47.8
522.27484	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3467
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
52.23958	1.7
54.81108	2.1
55.05499	13.2
57.07059	3.4
67.05475	14.6
69.03413	2.6
69.07037	22.8
71.04958	2.4
79.05456	16.5
81.07023	42.6
83.04964	2.8
83.08565	9.4
85.02876	2.0
85.06499	2.0
91.05434	21.7
93.07008	36.2
95.04919	8.4
95.08566	63.8
97.06487	7.6
99.08038	3.5
101.06004	2.0
105.06992	47.3
105.81661	1.9
107.08557	57.8
109.06461	7.8
109.10111	35.0
111.08047	12.9
116.98620	2.0
117.06969	7.3
119.08537	66.4
121.06462	6.1
121.10102	36.7
123.07999	7.9
123.11652	17.2
125.09581	2.4
129.06880	2.4
131.08513	39.7
133.10080	57.6
135.08002	7.8
135.11623	15.9
137.09549	3.4
137.13176	3.0
139.07510	2.3
139.11148	1.9
143.08517	15.2
145.10081	69.5
145.76605	2.0
147.07977	3.7
147.11620	32.6
149.09573	7.8
149.13203	13.6
151.07538	2.5
151.14851	1.9
153.09053	2.5
155.08534	1.7
155.10684	2.0
156.09160	2.5
157.10139	13.5
158.10793	2.4
159.07990	2.0
159.11658	35.0
161.09520	4.3
161.13174	21.0
163.07622	1.6
163.11160	2.3
163.14735	14.3
165.09003	2.2
165.12712	9.0
167.06984	11.4
169.09953	2.8
171.11592	9.9
173.13191	28.4
175.11182	2.9
175.14742	25.6
177.16356	12.7
178.13197	1.7
179.10614	8.3
179.36528	1.6
183.10071	1.9
183.11670	3.3
185.13214	15.0
187.14746	100.0
189.16319	22.9
191.10669	2.0
191.14268	2.0
191.17862	3.8
193.15906	2.7
197.11649	3.2
199.14740	9.8
201.16306	65.0
202.16655	2.1
203.14261	7.5
203.17862	38.7
205.15880	3.1
207.13800	3.0
213.16306	11.9
215.17886	8.8
219.13771	2.9
219.17307	6.9
221.15195	2.2
225.14799	4.3
227.17909	3.5
229.19441	4.3
237.14699	8.1
239.16313	2.6
241.19456	3.5
247.16800	8.9
251.16240	2.6
255.15744	24.9
255.20901	2.8
265.17923	3.0
269.22504	2.0
359.21753	3.0
393.31000	2.2
421.30554	2.3
439.31857	28.3
457.33023	41.3
458.33334	2.0
459.34421	4.0
467.31140	2.2
475.34048	2.2
485.32153	3.7
503.33218	9.3
521.27411	2.0
538.95892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15203	1.4
55.05495	15.8
55.50248	1.7
57.03431	1.6
57.07055	2.8
59.88187	1.8
66.12663	1.7
67.05482	18.5
68.44653	1.9
69.03388	3.7
69.07044	21.7
71.04946	2.9
74.20351	1.7
75.02037	1.8
78.97795	1.7
79.05457	23.6
81.07022	48.9
83.04946	8.1
83.08584	12.2
85.02863	2.4
85.06503	3.5
91.05450	27.3
93.07008	50.8
95.04923	9.2
95.08568	59.8
96.08894	2.3
97.06477	8.8
99.08048	10.4
105.06988	59.4
107.08559	73.9
108.08877	3.4
109.06478	12.6
109.10127	30.6
111.08054	20.5
117.06953	10.3
119.08530	82.7
120.08884	2.9
121.06425	3.5
121.10094	44.4
123.08017	4.8
123.11630	15.0
125.09535	3.0
129.06970	2.5
131.08536	47.7
133.10085	56.5
134.10396	2.3
135.08002	3.0
135.11627	20.1
136.00452	1.9
137.09541	4.0
137.13188	2.7
143.08528	17.0
145.10081	65.0
147.11638	59.1
149.09563	9.7
149.13200	12.8
151.07558	3.5
155.08487	2.6
156.09270	2.2
157.10080	21.5
158.10835	2.1
159.11636	39.2
161.09607	3.3
161.13213	28.3
163.11116	4.3
163.14738	10.4
165.09108	3.2
167.06958	2.2
168.53305	2.3
169.09978	2.6
170.10834	3.0
171.11633	11.7
173.13206	40.9
174.13567	4.2
175.11166	1.9
175.14760	22.0
177.09030	2.5
177.12637	2.2
177.16348	4.7
179.10561	2.1
179.14281	4.2
183.11600	7.7
185.13144	19.2
187.14763	81.9
188.15097	3.5
189.16341	14.9
191.14191	7.7
195.11545	2.1
197.11630	3.7
197.13245	3.4
199.14737	12.4
201.16304	46.8
203.14195	9.6
203.17807	15.1
205.15767	8.4
211.14836	2.4
213.12488	2.4
213.16304	12.5
215.17839	9.0
217.15759	2.2
219.17274	8.9
221.15337	3.1
227.17827	7.5
234.26105	2.3
236.41153	2.3
237.14682	6.4
239.16106	2.6
243.20940	2.3
247.16815	3.7
249.14839	3.5
255.15753	11.8
292.06747	2.3
298.29358	1.8
344.68161	2.4
356.26578	2.1
359.21793	100.0
409.31201	2.0
410.31137	3.0
415.29062	2.2
421.30746	8.0
427.31915	9.6
439.31952	24.9
440.32227	4.8
442.88187	2.3
456.31766	4.6
457.32928	38.0
458.33240	18.0
467.31979	2.8
485.32080	8.4
486.32538	3.3
503.33182	9.0
521.26953	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	521.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.6
53.48189	1.0
54.15764	1.0
55.01845	5.2
55.05243	2.2
55.05494	37.4
57.03413	2.4
57.07059	16.6
59.04966	2.3
60.94339	1.1
65.03905	1.5
67.05482	29.3
68.12269	1.2
69.03413	9.1
69.06682	2.6
69.07045	64.6
71.04964	11.7
71.08599	4.5
71.40866	1.0
79.05457	23.1
81.03379	2.4
81.07026	100.0
83.04954	18.5
83.08591	32.5
85.02869	7.6
85.06508	5.7
86.83568	1.3
87.04433	2.3
90.13046	1.1
91.05455	17.6
93.07010	74.0
94.07345	1.8
95.04932	16.8
95.07951	2.3
95.08566	71.9
96.08824	1.5
97.02844	1.9
97.06488	15.9
97.10115	8.5
99.04427	1.6
99.08047	4.3
99.70904	1.2
105.07005	29.5
107.08556	44.2
109.02831	1.2
109.06493	20.3
109.10126	48.0
111.08037	25.3
111.11705	2.0
116.65588	1.3
117.06956	4.8
119.07742	1.6
119.08549	33.0
121.06474	2.4
121.10103	64.2
122.10427	5.4
123.08023	10.2
123.11662	29.7
125.05936	1.8
125.09581	4.8
127.07452	1.7
127.11169	2.2
131.08525	11.3
133.10094	20.2
134.10356	1.3
135.08032	2.9
135.11653	15.1
137.09589	8.3
137.13208	14.6
139.07578	3.8
139.11122	2.5
143.08484	3.0
145.10060	13.8
147.08014	1.7
147.11642	18.1
149.09547	2.6
149.13200	17.2
151.11089	2.6
155.10576	1.4
156.09305	1.4
157.10081	7.4
159.11681	9.9
161.09541	7.5
161.13173	8.1
163.11154	2.2
163.14761	7.0
165.08940	1.4
165.16451	1.8
167.10570	2.0
167.14276	1.9
169.12218	1.8
173.13148	8.7
175.11128	2.1
175.14775	7.7
177.12775	2.4
177.16325	5.7
181.12183	2.1
183.17433	4.8
187.14703	6.1
189.12657	1.4
189.16327	4.8
191.14258	1.4
193.12221	1.5
199.14828	2.0
201.16284	2.7
203.14392	1.7
203.17871	4.9
207.17343	4.6
213.16261	1.4
217.15651	1.4
219.17314	1.7
221.18857	1.8
229.19388	2.4
235.20581	2.5
237.18420	2.0
243.21133	1.3
245.22595	2.4
246.10991	1.4
269.22443	6.8
275.23453	1.4
277.25073	2.3
279.23010	2.2
287.23636	10.3
293.24628	6.1
305.24640	43.8
323.25720	40.7
341.26935	4.5
443.21405	1.3
521.27136	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	521.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
54.80189	0.9
55.01859	0.8
55.05495	12.3
56.58865	0.6
57.03414	3.3
57.03695	0.6
57.07056	5.9
59.04977	1.4
67.05482	14.6
69.03405	6.4
69.06676	1.4
69.07042	34.3
71.04964	4.7
71.08590	0.8
75.68414	0.7
79.05461	10.6
81.03397	2.9
81.07023	47.8
82.07330	1.1
83.04962	3.8
83.08566	5.5
85.02881	5.5
85.06521	1.8
91.05438	7.2
93.07009	42.1
95.04933	8.0
95.08566	39.2
97.02877	1.3
97.06486	7.5
97.10128	1.5
99.04398	0.8
99.08079	1.3
105.06990	15.6
107.04882	0.9
107.08562	20.1
109.02825	1.1
109.06478	6.7
109.10119	20.4
111.08047	6.5
111.11684	3.0
117.06940	1.2
119.04874	0.7
119.08537	12.9
121.06433	1.1
121.10097	32.0
123.08043	4.9
123.11660	14.8
124.94018	0.7
125.09578	3.7
127.03902	1.1
127.11164	1.4
131.08504	4.9
133.10098	10.8
135.07980	1.5
135.11661	8.1
137.09579	3.1
137.13210	4.9
139.11150	5.7
143.08553	1.0
145.10107	4.6
147.11635	8.1
149.09572	4.0
149.13239	4.1
151.07530	0.9
151.11147	3.0
153.12683	4.1
155.10612	0.8
155.14346	1.3
157.10051	4.5
159.11620	7.2
161.09592	0.9
161.13213	3.6
163.11081	1.8
163.14729	0.8
165.12660	1.2
167.10606	7.6
171.11681	1.5
173.13226	3.0
175.11203	1.7
175.14806	3.0
177.16353	1.1
179.10626	0.8
185.13290	0.8
187.14815	3.5
189.16399	1.0
193.15901	0.9
199.14835	1.4
201.16286	1.1
203.17894	1.0
213.16336	1.1
261.22141	0.8
267.06555	0.9
269.07965	18.3
269.22614	1.6
270.08670	8.3
283.05957	0.9
285.07516	1.0
287.23520	5.6
293.24548	3.2
297.07498	2.6
298.08215	11.4
300.06073	1.0
301.07089	3.4
305.24628	16.5
313.06973	16.9
314.07507	1.4
315.08475	4.8
323.25702	16.2
325.06915	7.1
326.07666	1.3
329.06409	18.1
329.10263	1.1
330.06912	1.2
343.08051	9.9
344.08694	1.2
359.11108	100.0
360.11386	9.2
438.56171	0.7
521.27051	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	521.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.80524	1.5
55.01847	3.4
55.05495	19.2
57.03408	8.4
57.07055	16.0
59.04957	2.6
67.05478	27.9
69.03401	13.2
69.06682	2.9
69.07040	68.5
71.04955	11.8
71.08604	2.1
73.06492	1.5
79.05460	24.1
81.03371	3.3
81.07024	100.0
82.07359	2.1
83.04941	8.5
83.08589	12.2
83.74511	1.3
85.02863	9.3
85.06495	6.3
87.00780	2.0
91.05437	19.7
92.09355	3.4
93.06429	2.9
93.07007	81.9
95.04928	14.6
95.08569	80.7
97.02871	2.4
97.06488	11.0
97.10135	3.4
99.04392	3.1
99.08073	2.9
100.17152	1.4
105.06997	35.0
107.07901	2.3
107.08565	43.9
108.08893	1.7
109.06493	12.7
109.09417	2.3
109.10114	44.1
111.08060	18.9
111.11678	6.6
117.06956	2.6
119.08540	31.3
121.06486	1.6
121.10098	59.5
122.10415	2.3
123.08016	6.7
123.11662	34.2
125.09544	6.9
127.03809	1.8
131.08514	10.4
133.10089	32.0
135.08005	2.0
135.11641	19.9
137.05902	7.1
137.09558	6.1
137.13188	8.5
139.11143	13.7
143.08539	2.6
145.10094	17.6
146.10477	1.6
147.07988	2.3
147.11639	20.9
149.09550	6.2
149.13199	10.5
151.11128	6.9
152.24866	1.5
153.12688	2.7
155.10732	1.5
157.10101	6.6
159.11574	10.6
161.09535	2.5
161.13211	7.2
163.03847	1.6
165.12729	2.7
167.10600	18.8
171.11629	3.5
173.13187	6.2
175.11046	2.2
175.14761	7.7
177.16296	2.8
179.10558	2.0
183.11520	2.1
183.13795	1.8
185.13170	2.7
187.14642	3.1
189.16344	7.0
193.04947	2.8
193.15761	2.1
201.16313	8.5
203.17986	3.4
209.37393	1.6
213.16324	3.3
231.17255	1.6
269.22546	2.0
287.23602	15.6
293.24725	6.3
305.24634	41.8
323.25668	34.6
381.19180	1.5
382.53732	1.6
395.00522	1.7
439.86948	1.5
521.20203	2.0
521.26636	2.7
521.33276	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	521.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.8
53.03932	1.5
55.01849	4.1
55.05493	16.3
57.03417	5.4
57.07050	4.6
59.04984	6.6
65.03905	0.9
65.48048	0.6
67.05484	28.3
68.74285	0.6
69.03403	7.7
69.07043	41.4
71.04962	8.7
71.08585	0.7
73.75303	0.7
79.05461	18.7
81.03401	1.6
81.07026	100.0
83.04949	4.5
83.08598	10.6
85.02882	6.7
85.06509	15.2
86.03214	1.0
87.04447	4.5
91.05439	13.7
93.07008	84.7
95.04342	1.2
95.04931	24.8
95.08571	69.2
97.02856	0.9
97.06490	10.9
97.10135	4.6
99.08055	3.6
105.06997	30.0
106.07310	1.1
107.08556	37.1
108.08902	1.7
109.06491	8.7
109.10124	34.5
111.08044	11.2
111.11655	1.9
114.35858	0.8
115.07640	0.9
117.03350	0.9
117.06989	1.7
119.08533	23.7
121.06477	1.7
121.10105	39.9
122.10509	0.8
123.08035	4.0
123.11658	36.1
125.09579	9.4
127.07534	1.4
127.11121	2.8
131.08517	8.1
132.93044	0.8
133.10092	16.9
135.11650	18.8
137.09604	3.3
137.13228	5.9
139.11122	9.4
143.08513	1.4
143.10594	1.6
145.02826	3.9
145.10098	14.5
147.11635	21.5
147.24448	0.8
149.09599	1.6
149.13205	11.9
151.11147	3.5
153.12721	1.6
157.10083	3.9
159.11647	11.4
161.09541	0.9
161.13214	6.4
163.11121	1.4
163.14781	3.3
165.12698	7.4
167.10612	3.2
170.10983	0.9
171.11646	1.5
173.13234	6.5
175.11101	0.9
175.14758	3.5
177.05351	6.5
177.12665	1.4
177.16331	4.0
183.13687	1.6
185.13220	3.5
187.14749	5.2
189.16347	3.1
191.14272	1.5
199.14755	1.5
201.16396	6.5
203.17900	3.8
213.16339	3.8
215.18097	0.9
217.19495	1.2
219.17281	1.6
220.17834	1.0
229.19359	1.1
257.22415	1.1
269.22476	5.4
275.23508	3.6
287.23590	10.1
293.24680	12.7
305.24634	36.4
311.25632	3.3
323.25717	21.7
341.26791	1.5
359.27774	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	521.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48196	0.6
55.01868	0.6
55.05485	4.0
57.03419	0.8
57.07047	1.3
58.35262	0.7
67.05470	5.9
69.03395	1.0
69.07043	6.1
73.18446	0.6
74.28372	0.6
79.05479	5.6
80.61239	0.6
81.03395	0.9
81.06547	1.2
81.07019	16.0
83.04962	1.6
83.08597	1.5
83.18417	0.6
85.02863	0.8
85.06505	0.9
85.96799	0.7
91.05467	6.6
91.05930	0.7
91.13022	0.6
92.09430	1.3
93.07015	12.8
95.04937	4.8
95.08573	14.0
97.06484	3.3
99.08059	1.3
99.65081	0.6
105.07000	14.1
107.08570	16.0
109.06491	5.6
109.10129	9.2
111.08037	6.3
111.11674	0.7
117.06983	1.3
119.08541	17.2
121.06455	1.4
121.10097	11.3
123.08023	1.2
123.11684	4.5
129.06964	0.9
131.08531	12.3
133.06442	0.7
133.10091	14.0
135.08003	3.2
135.11652	4.5
137.09570	2.3
137.13234	1.0
139.11174	0.6
139.66435	0.7
143.08519	4.6
144.73755	0.6
145.10095	14.8
147.11636	14.6
149.13246	3.0
157.10089	3.8
159.08051	0.7
159.11647	8.9
161.09612	1.6
161.13191	5.0
163.14803	1.2
165.12630	0.8
171.11659	4.3
173.13220	7.5
175.11177	1.0
175.14812	5.9
176.56958	0.8
183.11804	0.9
185.13127	6.7
187.14748	13.3
189.16362	4.3
191.14310	1.3
199.14771	3.5
201.16302	8.5
203.14310	2.8
203.17938	2.7
207.13815	0.8
213.16360	3.1
215.17964	0.8
217.15834	0.9
219.17337	1.0
227.17932	0.8
249.14790	2.5
255.15855	1.6
305.24609	2.9
308.39917	0.9
323.25775	1.1
359.21814	100.0
360.22351	1.1
409.31070	1.0
421.30847	1.4
439.32043	4.9
457.32962	4.5
485.32516	1.3
503.33319	1.3
510.76361	0.8
517.60284	0.8
521.27051	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61821	0.3
53.95308	0.3
55.05461	0.6
57.07028	0.7
57.62362	0.3
65.03905	0.3
65.42536	0.3
66.63128	0.3
67.05451	0.7
69.07007	0.8
79.05418	1.5
81.07014	3.6
83.04917	1.3
85.02838	0.4
91.05419	1.5
92.09414	1.0
93.06992	3.1
95.04897	0.6
95.08551	2.9
97.06471	0.4
105.06995	2.8
106.07294	0.5
107.08574	3.6
109.06443	0.4
109.10078	2.0
111.07997	0.5
117.06927	0.6
119.08549	3.1
121.10082	2.5
123.11614	1.4
125.09539	0.4
131.08517	2.7
133.10095	3.0
134.10402	0.4
135.07999	1.3
135.11665	0.5
136.08124	0.4
143.08504	0.6
145.10091	3.1
146.10384	0.5
147.11589	2.2
149.13161	0.6
157.10027	1.4
159.11633	1.7
161.13121	0.5
163.07448	0.7
173.13159	1.9
175.14798	0.8
177.16264	0.6
183.11624	0.6
185.13116	1.4
187.14713	2.3
188.15039	0.6
189.16278	0.5
201.12657	0.8
201.16293	0.8
205.15739	0.8
233.15303	0.4
247.13211	0.5
298.14398	0.4
315.22787	0.6
323.25598	0.4
341.20721	0.5
359.21802	100.0
360.22247	0.7
421.30933	0.5
439.32047	0.4
449.30505	0.4
457.33109	1.6
458.33429	0.5
467.31381	0.7
468.31870	1.5
474.04553	0.4
521.27014	62.0
522.27277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71291	0.3
55.05493	3.0
57.07065	0.5
59.57441	0.4
65.54021	0.4
67.05477	2.1
69.03406	0.6
69.07031	2.4
71.04954	0.9
79.05447	2.8
81.07029	7.3
83.04944	1.9
85.02876	0.9
91.05444	1.6
93.07011	5.5
94.07369	0.5
95.04924	2.2
95.08563	6.9
96.08940	0.5
97.06481	0.7
99.08065	0.6
105.07006	4.2
107.04869	0.4
107.08561	6.0
108.08818	0.4
109.06453	0.9
109.10137	2.9
111.08022	1.5
119.08536	6.1
121.06443	0.5
121.10079	3.7
123.11662	0.9
131.08537	3.2
133.10086	2.7
135.11644	2.4
137.09584	1.6
137.13245	1.6
139.03877	0.4
143.08521	1.8
145.10065	3.5
147.11630	2.9
147.61293	0.4
149.09622	0.5
149.13217	0.9
151.11172	0.5
157.10080	1.7
159.11665	2.8
161.13185	1.6
163.11053	0.6
163.14758	0.9
171.11679	1.9
173.13229	1.9
175.14787	0.7
177.16272	0.5
183.11566	0.6
185.13275	1.0
187.14771	2.5
188.15045	0.5
189.16357	0.6
191.14284	0.9
199.14842	0.8
201.12645	0.7
205.15898	0.5
215.14174	0.6
305.24622	0.6
323.25665	0.6
359.21881	0.6
369.15057	15.5
421.31000	0.6
439.32184	0.7
457.32822	1.6
467.31381	2.6
468.31769	0.5
478.58521	0.5
485.32797	0.6
521.27020	100.0
522.26849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86148	0.5
79.79514	0.6
85.02887	1.1
86.09649	1.0
91.05450	0.8
93.15440	0.6
97.28433	0.7
98.97539	1.5
115.05453	1.0
117.06960	1.3
118.06506	22.3
127.03871	0.7
130.06479	1.4
132.08058	7.5
135.04381	0.9
137.60280	0.7
142.06519	1.4
143.07248	3.1
144.04391	0.9
144.08049	17.3
145.02831	1.2
146.05972	96.0
147.04391	0.8
151.85695	0.8
159.09100	9.7
163.03824	5.0
170.05920	5.0
174.51773	0.6
177.05412	0.8
188.07005	100.0
205.09660	28.1
209.82532	0.6
212.93512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1641
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
53.03930	0.3
53.26808	0.1
54.80456	0.2
55.01844	0.3
55.05482	0.9
57.03408	0.4
57.07057	0.6
61.02889	0.7
67.05492	1.2
69.03412	1.8
69.07041	2.5
69.84884	0.2
71.04958	0.4
73.02866	0.3
79.05447	1.1
81.03367	0.9
81.07021	3.1
83.04951	0.2
85.02878	3.4
91.05431	0.8
93.07010	3.1
95.04922	0.2
95.08576	3.2
97.02875	1.3
97.06469	0.3
99.04403	0.2
105.06999	1.2
107.08552	2.1
109.06435	0.2
109.10106	1.2
111.08082	0.2
119.08547	0.7
121.10095	2.4
123.08026	0.2
123.11655	1.0
127.03850	0.3
131.08521	0.2
133.10075	0.9
135.11653	0.8
137.13208	0.2
145.05019	0.2
145.10081	0.4
147.11658	0.3
149.09572	0.2
149.13206	0.2
153.12688	0.3
159.11664	0.2
161.13243	0.2
167.03340	1.1
167.10626	0.4
185.49919	0.2
216.51668	0.2
243.06349	0.3
244.07204	0.2
256.07355	1.2
267.06433	2.2
268.07169	1.4
269.07980	22.1
270.05682	0.3
270.08749	9.1
271.06009	0.2
272.06668	1.3
273.07468	0.4
283.06009	0.4
285.07480	1.1
286.04736	0.3
287.23517	0.7
297.07483	4.0
298.08246	17.6
299.08746	0.2
300.06207	2.1
301.06976	4.8
305.24588	1.3
313.06946	17.5
314.07611	0.8
315.04831	0.8
315.08499	4.6
323.25723	1.4
325.06970	7.3
325.10757	0.3
326.07651	2.0
327.04813	1.8
327.08273	0.3
329.06412	23.2
330.06937	0.6
343.07990	12.3
344.08740	1.9
359.11105	100.0
360.11374	1.7
418.99731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65510	0.4
53.03920	0.5
56.96543	2.4
57.03422	0.9
58.99841	0.7
59.91861	0.5
60.30198	0.5
61.02891	1.0
69.03407	5.4
71.04971	0.6
73.02881	2.4
74.02401	2.5
77.00886	1.0
81.03387	2.4
84.04474	2.8
85.02877	10.5
86.06012	0.7
92.09345	0.6
96.04445	2.5
97.02856	5.3
97.86983	0.6
98.97549	25.4
99.04422	2.3
101.00844	11.4
102.05517	0.8
114.05470	6.5
115.02367	0.6
116.98592	12.0
119.01880	41.4
119.04852	1.2
126.43272	0.6
127.02399	1.2
127.03868	3.0
128.98557	1.1
129.03065	1.1
129.03922	0.8
130.04967	1.4
131.00168	1.4
131.01865	1.0
132.06523	2.9
133.03438	2.8
134.99619	3.7
135.04410	0.7
137.02907	8.2
139.02353	5.3
139.03748	0.6
143.00117	3.8
143.01871	8.4
145.03426	18.0
145.04713	1.6
145.04944	1.4
146.99559	0.8
147.04318	6.8
148.06007	1.0
149.01170	4.8
153.02994	0.8
154.36794	0.6
157.03418	48.8
158.99571	4.5
160.06032	0.8
161.01178	3.9
161.02896	10.9
163.04410	4.6
165.74942	0.5
167.02289	1.1
169.03365	2.4
170.03281	0.7
173.01161	3.3
173.02919	1.2
175.02907	0.9
175.04459	27.5
177.00604	3.3
177.04082	0.9
178.07027	5.3
179.02190	3.4
181.05499	3.8
187.04509	2.4
191.02258	1.4
191.03931	0.8
192.04608	2.7
192.99911	1.0
197.03267	3.9
201.00641	0.8
201.05066	0.7
205.05513	20.8
219.01730	0.9
221.03307	3.1
223.06552	100.0
224.06702	1.4
225.06375	0.7
232.04832	1.1
237.02795	0.9
239.04288	24.6
239.06599	1.1
241.07590	40.7
245.05234	0.8
246.08197	0.7
249.08093	2.9
257.05359	7.9
258.06635	0.7
261.02826	0.8
265.07596	7.3
275.06085	0.9
277.07599	24.4
279.05621	2.5
279.09128	5.5
281.04984	1.0
282.07755	0.8
293.07031	1.4
303.05414	1.1
321.06659	15.1
339.07855	38.2
359.07919	0.8
387.13330	58.4
504.03452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22430	2.4
55.05489	20.0
57.07059	5.8
60.27358	3.1
63.03321	2.6
67.05482	27.5
69.07052	24.7
71.07353	2.7
79.05455	18.7
79.51115	2.7
81.07029	59.8
83.08581	14.8
86.09676	22.3
87.10009	3.4
91.05437	25.8
92.08707	4.5
93.07015	39.2
95.04954	4.3
95.08575	69.6
97.06503	4.5
97.10156	3.9
104.19887	2.8
105.07002	38.6
107.08553	57.0
109.06516	5.1
109.10124	44.8
117.06973	15.4
119.08543	100.0
121.10108	38.5
123.08027	5.5
123.11640	25.4
124.99938	21.0
127.00407	3.9
129.06969	6.0
131.08531	38.7
133.10080	37.5
135.11646	17.7
137.13225	7.3
139.42668	3.0
142.07767	4.7
143.08548	32.4
145.10081	82.4
147.08092	3.5
147.11621	33.7
149.13226	5.2
151.07498	20.7
155.08505	5.8
156.09329	4.3
157.10066	54.4
159.11636	51.7
161.13206	12.5
163.07518	11.3
163.14799	4.4
165.09038	12.3
169.08501	7.2
169.10031	4.3
170.10866	17.8
171.11610	46.0
173.13162	42.5
175.11037	4.3
175.14767	14.2
177.12656	3.7
177.16327	4.9
183.10110	5.0
183.11607	14.6
184.07272	46.6
185.07542	4.8
185.13177	48.9
186.07805	3.8
187.14763	52.5
189.16322	11.1
197.11617	4.0
197.13197	12.3
199.11052	4.5
199.14763	66.3
201.12660	3.5
201.16278	22.5
209.13193	3.4
213.16351	19.2
215.17696	3.9
217.12202	6.0
217.15742	5.5
221.15181	3.8
225.16328	5.1
227.18008	5.9
233.15340	5.4
239.16266	59.3
239.18138	4.1
245.15234	7.2
249.14809	3.1
251.16261	24.1
253.17838	4.2
421.30762	5.9
439.31894	54.6
441.33328	13.9
457.32770	6.2
467.31122	4.0
485.32550	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	520.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14225	1.1
55.05487	10.2
57.07045	2.5
65.03889	1.7
67.05489	16.4
69.03394	2.8
69.07062	13.7
73.19915	1.4
79.05472	14.6
81.07034	43.2
82.07928	1.6
83.04955	61.7
83.08575	3.5
85.02877	1.4
91.05447	25.6
92.08694	8.8
93.07011	45.2
95.04929	9.8
95.08572	47.3
97.02859	1.8
97.06477	3.5
97.10120	2.2
99.08044	2.1
105.06310	1.7
105.07003	65.7
107.08566	72.9
109.06478	10.6
109.10136	27.7
111.08047	7.7
117.06979	13.5
119.07732	2.8
119.08549	67.6
121.06448	2.2
121.10103	35.0
123.08029	8.3
123.11652	17.3
123.12416	1.7
125.09599	19.7
129.06958	3.9
131.08534	42.5
133.10088	44.7
135.08009	9.3
135.11636	15.7
137.09608	6.2
137.13220	2.0
141.06943	2.0
142.07729	6.4
143.08539	24.4
145.10091	64.4
147.07967	2.8
147.11650	25.7
149.05959	3.7
149.09615	3.2
149.13210	10.7
151.11157	2.8
153.09180	1.5
155.08560	11.8
156.09245	6.8
157.10080	34.7
158.10905	2.9
159.08026	5.7
159.11638	50.1
161.09592	3.2
161.13220	14.4
163.07465	13.9
163.14784	3.9
169.10106	15.8
170.10867	2.2
171.11652	17.2
173.11818	1.8
173.13196	50.1
175.11092	2.7
175.14742	12.4
177.12729	2.9
177.16350	8.4
178.07230	1.7
181.10023	6.0
182.10817	3.7
183.11642	39.8
184.12427	1.8
185.13184	23.9
187.11153	3.4
187.14755	46.4
189.14853	1.6
189.16302	12.9
191.14279	2.2
195.11668	9.3
197.13208	14.2
199.11130	2.2
199.14696	16.1
201.12689	85.3
201.16293	11.6
203.14270	9.0
205.12169	12.1
205.15796	17.2
207.17436	2.0
209.13101	12.7
211.14752	8.8
213.16267	6.6
215.14211	8.6
217.15778	6.8
219.13655	2.2
223.14713	6.1
223.16760	3.6
225.16231	1.8
227.14359	1.9
227.17831	1.9
229.15756	2.9
233.15305	7.3
237.16286	3.4
239.17757	3.5
243.13818	2.2
247.13144	27.8
249.16388	1.8
251.18022	2.2
257.15213	2.9
263.17896	2.0
265.19333	3.0
297.18140	1.8
298.72018	1.8
305.24808	1.7
339.26666	3.6
385.27948	1.8
391.26154	2.9
403.29916	19.1
409.26685	1.9
421.30792	20.2
431.29282	9.8
437.30533	2.4
439.31827	8.4
449.30405	34.2
457.32635	3.6
467.31458	100.0
485.32385	10.4
503.33197	6.3
521.27258	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	520.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83570	1.1
54.80496	1.1
55.05493	9.7
57.03414	1.6
57.07046	6.5
59.04968	1.9
65.03925	1.8
67.05482	16.2
69.03399	6.2
69.07049	20.8
70.44563	1.2
71.04965	15.9
79.05457	8.1
81.03377	1.4
81.07024	100.0
83.08565	3.2
85.02863	11.5
85.06491	1.9
91.05434	11.3
91.35033	1.2
93.07011	67.4
95.03983	1.5
95.04938	62.5
95.08570	84.5
97.02823	5.6
97.06483	1.8
99.08034	1.7
105.06999	25.2
107.08566	24.2
109.06458	3.1
109.10133	21.2
111.08035	7.9
117.06982	1.6
119.08524	18.1
121.06471	1.4
121.10106	22.0
123.08012	3.0
123.11660	23.6
127.11205	2.2
131.08522	7.8
133.10056	10.5
135.11647	9.0
135.12576	1.5
137.13211	68.9
141.12688	3.0
143.08507	1.9
145.10054	10.8
147.11642	36.4
149.13234	2.2
157.10106	14.5
159.11629	20.7
161.13205	10.8
163.14694	2.2
165.12680	9.7
167.10518	1.7
171.11554	7.1
173.13226	7.7
175.14828	2.8
183.13710	5.7
187.14754	2.7
199.14783	2.6
201.14696	2.8
201.16345	10.6
213.16373	7.2
233.18823	2.1
239.71703	1.3
269.22415	2.7
277.25183	7.4
277.45544	1.5
287.23566	27.5
293.24652	7.3
305.24640	41.0
308.98080	1.4
311.25790	6.6
323.25732	18.1
341.26465	2.2
417.34503	1.5
470.58911	1.4
503.33026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21626	0.8
53.03924	1.3
55.05494	8.8
57.03397	1.2
57.07061	7.4
59.04969	1.2
60.10080	0.9
61.95787	0.9
65.03922	1.0
67.05482	15.9
68.89285	1.1
69.03396	6.2
69.07044	18.5
71.04962	16.7
71.08576	1.1
79.05452	9.1
81.03372	1.2
81.07026	100.0
83.04953	1.0
83.08590	5.2
85.02867	10.7
85.06526	1.8
91.05453	10.9
93.07011	62.0
95.04336	2.2
95.04933	60.0
95.08572	76.5
97.02846	1.2
97.06496	5.2
97.10136	1.4
99.08060	3.9
105.06997	28.2
107.08566	22.8
108.65990	1.0
109.06481	6.6
109.10121	24.8
111.08051	10.0
111.11695	1.3
117.06932	1.1
119.08540	21.6
121.10103	20.7
123.08034	4.6
123.11662	25.3
125.09565	2.0
127.11112	4.2
129.07011	0.9
131.08545	9.2
133.10081	11.6
135.11673	7.6
137.09644	1.4
137.13205	63.1
139.11096	1.2
141.12704	2.3
143.08484	3.6
145.10066	10.7
147.11641	28.3
149.13226	3.9
151.11211	1.1
153.12688	2.2
157.10092	12.0
159.11627	19.0
161.13222	8.5
163.14719	2.1
165.05128	0.9
165.12680	8.7
171.11566	7.1
173.13193	5.6
175.14742	4.5
183.13811	4.6
185.13190	1.5
187.14783	2.0
189.03494	1.1
189.16290	1.8
199.14735	4.3
201.14723	5.2
201.16367	7.9
206.22903	1.0
213.16336	9.0
213.18134	1.3
215.17944	1.1
217.19579	1.3
261.22180	1.6
269.22574	5.3
277.25064	4.6
279.23080	1.3
287.23584	33.7
293.24655	5.4
305.24664	37.6
310.72919	1.0
311.25662	5.7
323.25684	17.2
503.33447	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	520.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05015	0.3
56.16044	0.1
57.03424	0.1
57.07069	0.1
58.06568	0.4
58.65119	0.1
60.08141	9.1
60.12626	0.1
67.05481	0.9
69.07027	0.5
71.07337	3.6
74.74435	0.1
79.05463	0.2
81.07028	0.6
86.09672	47.4
92.09324	0.1
93.07009	0.2
95.08574	0.8
98.98428	3.5
104.10700	4.2
104.51938	0.1
109.10147	0.1
124.99954	34.4
143.00980	0.2
184.07272	100.0
226.67110	0.2
337.27493	0.2
502.33057	0.9
520.33783	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	520.3386
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.65573	0.6
53.65000	0.5
55.05502	1.1
56.04998	0.7
57.03402	0.5
57.66735	0.5
58.06572	0.8
60.08145	20.0
67.05486	5.0
69.07047	2.4
71.07341	8.3
71.07685	0.7
78.27501	0.6
79.05482	0.8
81.07018	4.4
83.08623	0.5
86.09675	72.5
93.03275	0.5
93.07021	1.0
95.08572	2.7
98.98412	4.5
104.10706	97.5
109.10117	0.7
124.99956	45.9
153.75671	0.6
163.01472	0.7
184.07277	100.0
258.10849	0.9
274.25378	0.6
313.91092	0.5
337.27737	0.6
502.32745	7.6
520.33777	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	520.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.3
53.03919	1.9
55.01852	3.9
55.05491	7.8
57.03403	1.4
57.07043	1.7
59.04971	1.6
61.02891	1.9
67.05479	13.8
69.03407	13.7
69.07047	8.4
71.04965	21.9
73.02888	1.7
73.06503	3.5
79.05462	18.8
81.03379	8.6
81.06545	2.0
81.07023	53.0
83.04936	4.8
83.08591	4.8
85.02880	21.2
85.06510	5.3
87.00802	12.3
87.08114	1.0
91.05441	19.4
92.08630	1.5
93.07009	28.7
95.04920	5.0
95.08569	20.5
97.02849	12.1
97.06475	5.4
97.10132	4.6
99.04403	1.8
99.08056	17.3
103.05422	1.5
105.01824	9.7
105.03313	1.1
105.06993	68.3
107.08566	33.1
109.02832	5.6
109.06476	5.4
109.10123	20.2
111.08035	1.4
115.03876	1.1
117.03330	3.4
117.06979	3.9
119.08543	25.4
121.10087	18.3
123.08018	1.7
123.11681	7.5
125.09586	33.1
127.03856	10.9
127.07498	8.1
127.11142	4.7
130.07742	0.8
131.08524	12.2
133.10088	100.0
135.11636	7.9
137.09534	1.9
139.11165	1.5
143.08484	1.1
143.10628	51.7
145.02797	13.6
145.04898	3.6
145.10063	13.9
147.11649	27.5
149.05951	1.1
149.09555	1.5
149.13206	8.6
151.11099	6.4
157.10068	1.0
159.02777	1.5
159.11621	12.3
161.13190	7.7
163.11107	1.5
167.14255	8.6
169.12123	1.6
173.13197	3.7
177.05405	18.2
191.14264	3.7
191.17921	1.0
201.16324	11.2
219.17360	37.8
219.19498	1.3
231.04892	1.3
237.18443	9.3
361.68213	0.9
446.87479	0.9
453.44907	0.9
520.30182	1.0
546.70612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01012	1.6
53.03934	3.5
53.48227	1.5
55.01860	8.4
55.05494	13.2
57.03418	20.3
57.07056	4.0
57.40871	1.6
59.04975	3.9
59.17646	1.6
61.02898	9.5
66.35482	2.0
67.05473	24.7
68.99776	2.5
69.03403	45.6
69.07041	26.4
71.01313	2.5
71.04964	43.9
73.02885	37.1
73.23180	2.2
79.05460	26.7
81.03380	19.5
81.07027	70.7
83.04944	8.1
83.08586	10.6
85.02874	75.3
85.06511	9.0
87.00803	20.3
87.04452	3.7
91.05444	28.1
93.07010	68.4
95.04933	21.3
95.08570	65.6
97.02855	45.6
97.06486	13.7
97.10131	4.7
99.04443	4.2
99.08055	8.9
105.01813	4.9
105.07001	97.8
107.08564	66.1
109.02847	12.5
109.06497	7.7
109.10127	47.6
111.08041	9.7
115.03896	11.1
115.05399	2.7
117.03350	2.0
117.06982	12.0
119.08546	64.3
119.40830	1.9
121.10097	52.3
123.08029	3.2
123.11667	13.8
125.09569	24.2
127.03875	29.4
127.11143	20.2
129.01868	3.7
129.06990	4.8
130.07796	2.9
131.08536	38.9
133.04918	2.7
133.10088	100.0
135.07994	3.6
135.11635	15.9
139.11163	2.8
143.08536	4.0
143.10641	24.3
144.09268	2.6
145.02811	16.2
145.04901	7.8
145.10071	60.2
147.11639	99.7
149.13211	24.3
151.11163	3.3
157.10097	8.4
158.10826	3.7
159.02904	3.5
159.11636	25.9
161.13213	8.6
167.14244	20.6
171.11626	8.0
173.13210	63.0
175.14764	29.5
177.05392	16.0
179.16936	2.0
189.16299	3.0
191.14241	52.5
201.16295	26.1
203.18021	2.7
205.82631	2.2
219.17393	34.3
231.04802	2.8
237.18394	13.6
321.24155	2.1
322.24329	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	520.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
54.92089	0.9
55.01851	1.3
55.05498	9.7
57.03419	20.7
57.07052	1.1
60.87393	0.9
61.02900	4.6
67.05485	8.7
69.03403	23.3
69.07044	12.2
69.59663	1.0
71.04967	12.3
73.02885	28.2
79.05453	9.3
79.39967	1.0
81.03394	4.2
81.07030	20.4
83.04951	2.0
83.08598	2.3
85.02871	29.9
85.06505	4.0
87.00811	2.1
87.04445	1.6
91.05451	17.3
93.07006	22.0
95.04942	1.7
95.08565	17.7
97.02854	26.5
97.06490	4.7
98.27585	1.1
99.04395	1.6
99.08047	1.5
100.05669	1.1
105.07000	56.8
107.04965	1.4
107.08562	21.4
108.08836	1.6
109.02846	2.5
109.06477	1.9
109.10112	11.4
109.80066	1.0
115.03889	10.5
117.06984	7.2
119.08535	42.9
121.06507	1.3
121.10101	25.1
123.08070	1.8
123.11662	2.5
125.09600	5.1
127.03879	5.8
127.11158	1.5
130.07686	1.2
131.08522	30.0
133.04959	4.3
133.10077	42.0
135.07986	2.1
135.11653	5.0
143.08519	2.4
143.10658	5.9
145.04913	4.0
145.10071	22.6
147.11646	100.0
148.11969	1.4
149.13226	7.9
151.11113	1.5
153.06848	1.0
157.10088	2.5
158.10883	2.4
159.11641	5.6
161.13260	2.2
163.14737	1.4
167.14209	9.9
169.10059	1.7
171.11543	3.9
173.13194	48.2
174.13358	1.0
175.14746	38.7
177.05397	1.3
181.12106	1.0
183.11638	1.3
185.13226	1.2
189.12657	1.6
191.14241	44.4
201.16353	2.2
209.15294	4.5
219.17320	7.9
237.18416	1.9
326.07806	1.4
359.11237	1.6
374.89844	1.2
382.95572	1.1
484.30865	1.2
501.30881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.6
53.03922	9.2
55.01847	8.3
55.05493	18.7
57.03407	8.8
57.07055	5.2
57.70303	1.2
59.04981	2.6
61.02885	3.5
67.05479	25.4
69.03401	27.8
69.07040	22.1
71.04967	25.4
73.02866	2.6
77.74879	1.6
79.05459	21.2
81.03382	22.1
81.06545	3.0
81.07023	94.1
83.04938	7.0
83.08566	7.3
85.02871	51.9
85.06516	10.7
87.00799	21.5
87.04394	1.6
91.05439	25.7
92.09296	2.8
93.07004	100.0
95.04922	16.2
95.08568	65.5
97.02846	18.0
97.06488	36.2
97.10141	5.1
99.04402	10.8
99.08050	6.7
105.01839	11.8
105.06994	63.0
107.08557	58.2
107.09135	1.4
108.08889	2.1
109.02832	17.2
109.06465	18.3
109.10121	38.6
111.08027	11.7
111.11665	1.7
113.05909	2.6
117.06962	9.1
119.07735	2.9
119.08536	57.9
120.08910	2.2
121.06439	2.6
121.09290	1.9
121.10104	42.5
121.65681	1.4
123.08018	19.3
123.11654	49.2
125.09567	9.7
127.03860	25.3
127.11139	11.9
129.06935	2.0
131.08522	20.7
133.10083	54.6
134.10396	1.8
135.04437	1.5
135.08044	2.3
135.11647	23.0
137.05951	2.6
137.09549	6.5
137.13191	2.8
139.11137	6.0
143.08492	6.7
143.10612	3.4
144.09373	2.2
145.04892	7.8
145.10077	27.1
147.07970	2.0
147.11629	35.8
149.09593	13.7
149.13185	9.8
151.11115	23.3
155.08388	1.5
155.10577	3.5
156.09239	1.8
157.10065	9.6
158.10497	1.8
159.02840	10.7
159.11630	28.3
161.09583	3.5
161.13127	11.0
163.11118	6.4
163.14684	2.6
165.12682	2.1
171.11589	7.2
173.13226	18.0
173.25362	1.6
174.13542	1.6
175.14757	10.0
177.16324	2.3
185.13112	2.9
187.14769	3.2
189.12703	2.0
189.16373	2.1
191.14311	2.2
195.11572	1.6
199.14825	6.2
201.16290	24.8
203.17847	2.2
207.13719	3.3
213.16371	1.8
219.17368	85.8
228.38286	1.7
231.04889	2.0
231.17215	1.8
237.18390	26.4
287.23456	3.3
305.24664	9.1
323.25555	3.7
464.82028	1.5
485.23660	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	520.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
53.32705	0.5
56.05003	0.5
56.96538	0.5
57.03411	0.8
59.04983	2.6
61.02910	0.7
65.38612	0.5
67.03476	0.5
67.39121	0.5
68.05005	2.8
69.03397	3.6
70.06572	0.6
73.02864	0.6
74.02410	44.2
81.03411	0.6
84.04470	10.2
85.02874	5.8
86.06038	14.7
87.04434	1.2
95.05025	0.5
96.04454	36.1
97.02860	8.8
98.97549	2.6
102.05502	2.4
112.07607	0.6
114.05490	84.1
115.03888	0.9
116.98571	0.9
119.04919	0.6
127.03875	1.3
129.03084	1.2
130.04977	2.8
131.12376	0.6
132.06517	54.3
139.03976	0.8
142.04955	11.1
147.04347	3.6
148.06007	4.5
154.69501	0.6
154.94110	0.9
160.04660	0.9
160.05998	21.4
161.01160	1.1
163.02684	0.6
163.03896	3.4
172.95203	1.1
174.98405	0.6
177.00642	0.6
178.07039	100.0
189.00607	1.2
190.96231	1.1
191.57668	0.5
199.79076	0.6
201.05304	0.6
214.96199	0.8
219.01683	1.2
237.02661	0.7
239.04276	1.1
284.51364	0.5
347.00262	0.7
431.08719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.6
55.13503	0.9
57.03417	1.3
60.63981	0.9
69.03394	1.3
85.02878	6.5
89.03873	1.1
89.06017	0.9
91.05457	2.3
95.04954	2.1
97.02850	1.1
107.04906	8.3
117.03326	2.0
119.04908	17.9
123.04385	28.7
131.04889	4.7
133.02840	6.1
133.06407	6.7
135.04391	2.2
139.03716	0.9
145.02789	2.1
145.06517	1.2
147.04364	100.0
149.05948	2.4
159.04390	3.8
161.02243	7.8
161.05922	11.4
163.03850	19.9
164.04218	1.8
165.05421	5.4
166.07127	1.0
166.48802	1.0
171.04303	2.2
173.05920	1.5
177.05428	2.3
179.03316	2.3
182.42744	0.8
187.03864	6.6
189.05426	28.8
199.03874	9.9
205.04907	4.1
217.04897	33.7
237.02765	1.3
253.07033	1.2
262.25415	1.0
263.05402	35.0
305.06396	1.6
323.07498	46.2
323.11124	2.0
338.46280	1.1
341.08490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47293	2.1
53.03922	2.2
55.05502	18.5
57.07051	3.9
58.20397	2.2
59.04977	2.0
67.05480	23.1
68.41362	2.1
69.07042	19.7
71.08594	2.2
71.09196	2.0
72.11537	2.3
79.05457	22.8
81.07029	35.6
83.04951	3.3
83.08591	15.3
85.06515	4.2
87.12252	2.0
91.05454	31.3
93.07016	57.9
95.04913	4.5
95.07960	2.5
95.08570	69.4
95.09137	3.4
97.06472	9.8
97.10159	2.6
99.08022	21.0
102.63811	2.2
105.07003	73.3
107.07885	4.6
107.08565	73.9
109.06474	4.2
109.10128	51.9
115.07536	3.0
117.06973	9.3
119.08542	100.0
121.10098	55.6
123.08058	5.2
123.11659	28.8
125.09588	3.3
127.01125	2.4
127.07526	4.7
129.06941	2.6
129.09068	2.7
131.08527	51.9
133.10098	64.8
135.11647	26.6
137.13220	9.2
143.08536	4.3
145.10075	43.1
147.07993	4.3
147.11646	94.5
149.09657	3.4
149.13252	17.0
157.10088	15.0
159.11623	27.5
161.09528	3.5
161.13167	16.2
163.14749	9.9
165.09100	12.4
165.16264	3.6
170.10875	2.8
171.10173	3.8
171.11613	5.1
173.13184	26.7
175.11050	3.1
175.14757	23.2
177.16316	13.6
179.10596	4.4
183.11723	3.4
184.07224	2.6
185.13214	15.0
187.14749	57.0
189.16336	24.6
191.18169	2.5
193.12201	3.6
193.15735	2.5
199.14752	4.1
201.16325	42.4
203.17839	4.4
213.16336	5.2
215.17897	13.9
219.17365	4.1
227.17921	5.4
235.16855	4.5
249.18437	2.7
253.17804	26.0
265.17966	3.7
267.19382	22.1
306.86255	2.2
371.33240	3.6
395.32962	9.3
413.33792	3.6
423.32532	9.3
441.33221	5.2
455.35141	30.1
473.36093	15.0
501.35495	11.6
519.36212	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	519.3666
Annotation	Methyl quadrangularate I
Peak:m/z	Relative Intensity
54.10854	1.3
55.05494	15.3
57.07041	4.6
59.20231	1.7
67.05470	20.7
69.03414	1.9
69.07048	17.9
71.04931	2.1
71.08581	2.4
72.79337	1.7
76.28739	1.8
78.50407	1.8
79.05463	14.5
81.07024	35.4
83.04949	4.5
83.08563	7.9
85.06483	2.2
86.09673	10.1
91.05437	25.8
91.64748	1.6
93.06995	47.1
95.04915	2.7
95.08566	54.4
97.10127	4.6
99.08057	17.4
104.10704	47.2
105.06998	70.5
105.11042	8.6
107.08553	56.9
109.06482	3.5
109.10110	35.7
111.08075	3.6
113.60933	1.8
117.06989	8.0
119.08533	86.8
121.10087	41.7
123.08018	3.1
123.11665	17.5
125.09596	2.2
127.07539	3.4
131.08514	41.3
133.10078	53.1
135.11635	21.7
137.09523	2.2
137.13203	7.2
138.71890	2.1
143.08493	3.4
145.10080	39.4
146.98146	3.2
147.11633	100.0
149.13225	13.4
151.14789	3.0
157.10065	4.4
159.11633	23.2
161.09573	3.6
161.13217	17.3
163.14786	3.9
165.09059	8.6
165.16330	3.2
171.11552	3.7
173.13171	18.5
175.11127	2.7
175.14752	23.0
177.16330	4.5
179.10603	7.8
183.11583	2.1
185.13176	11.4
187.14720	42.8
189.16278	14.7
193.12152	4.6
193.15736	2.5
199.14769	4.0
201.16309	50.3
201.18118	2.1
203.17813	3.8
211.13220	2.4
215.17880	3.6
217.15703	2.2
219.17397	7.2
225.14619	2.6
227.17747	3.1
235.16789	2.4
237.18457	1.9
243.21017	2.0
247.20445	2.5
253.17824	33.3
265.17816	4.6
267.19412	9.9
314.27753	4.5
315.37677	1.9
395.33054	14.6
413.33875	2.3
423.32529	4.1
441.33438	4.2
443.49603	2.3
455.35065	20.0
459.24591	9.4
460.24884	12.2
469.32697	7.9
473.36115	21.7
501.34882	3.6
518.32050	2.8
519.32263	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	19.7
57.03410	2.5
60.71127	1.4
65.03912	1.6
67.05491	18.2
68.86091	1.3
69.03410	7.7
69.07036	17.1
71.04967	2.2
79.05470	21.9
81.03381	3.3
81.07023	43.4
83.04949	2.9
83.08589	10.1
85.02905	1.7
85.06528	1.6
91.05440	28.5
92.38052	1.5
93.07009	51.2
95.04919	11.6
95.08569	52.2
97.06491	7.3
99.08036	11.0
105.06990	72.6
107.04922	1.5
107.08565	71.8
109.06490	10.8
109.10123	18.7
111.08039	2.9
113.06009	1.8
115.05405	2.3
117.06968	15.4
119.08542	100.0
119.09408	3.3
120.08836	1.7
121.06463	42.1
121.10090	26.4
123.04412	1.8
123.08013	12.5
123.11654	7.8
125.05929	2.4
125.09551	1.9
128.06215	2.1
129.06952	10.6
131.08524	54.4
133.06432	3.1
133.10091	47.2
135.08023	18.4
135.11647	15.3
137.09599	6.7
139.07510	2.0
141.06912	1.7
142.07721	8.8
143.08521	34.8
144.09325	2.3
145.06419	2.9
145.10080	84.8
147.08003	9.5
147.11644	35.9
149.09605	9.1
149.13232	7.9
151.11134	2.5
153.06990	1.8
153.12715	6.0
155.08543	13.2
156.09291	6.8
157.10088	38.3
158.10851	6.0
159.08008	9.1
159.11636	49.0
161.09602	15.4
161.10724	1.6
161.13197	28.8
163.07512	9.5
163.11154	3.8
163.14769	7.0
165.12793	1.9
169.10068	15.2
170.10837	6.2
171.11626	26.3
173.09625	8.1
173.13193	43.8
175.11145	12.7
175.14778	29.0
177.12695	7.2
177.16359	3.6
179.14214	2.0
181.10059	6.5
182.10904	6.6
183.11623	16.9
184.12434	3.2
185.09590	13.7
185.13196	48.3
187.11119	11.0
187.14767	54.9
189.12730	12.4
189.16318	7.7
191.14264	3.7
193.10147	2.0
193.12152	2.4
195.11681	6.8
197.13210	15.3
198.86725	1.9
199.11163	6.5
199.14751	33.0
201.12708	11.6
201.16321	22.4
203.14273	22.0
205.15831	2.9
207.11687	2.4
207.13753	6.9
209.13338	6.6
211.14748	12.4
213.12759	3.3
213.16290	25.8
215.14218	13.1
217.15837	3.7
219.11870	2.2
219.13817	7.6
221.13263	2.9
223.14778	2.7
225.16345	3.8
227.14195	5.6
227.17943	7.1
229.15720	6.9
231.17334	1.7
233.15297	9.9
235.14680	2.7
237.16383	2.3
239.17928	2.7
241.15770	2.6
241.19380	5.7
245.15273	14.0
247.16774	2.0
249.14719	6.6
251.17963	3.3
253.19371	3.6
259.16873	7.1
261.16220	1.9
263.17923	2.5
265.19495	2.1
267.17365	1.8
267.21063	2.3
297.18521	1.9
317.22586	2.3
321.22131	2.1
337.21628	1.9
365.24783	2.6
375.26926	2.1
389.28403	10.8
391.29877	7.3
401.28305	6.5
407.29309	18.9
409.30923	3.3
417.27707	2.9
419.29315	35.4
423.28812	5.7
435.28870	8.3
437.30331	20.5
439.28262	45.9
447.28714	14.5
453.29889	18.7
455.31265	2.8
465.29807	39.7
467.65070	1.8
471.30579	3.6
483.30887	47.3
501.31973	38.4
519.32343	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	519.3309
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
50.40670	2.8
53.46356	2.5
55.01849	3.5
55.05486	13.6
57.03391	2.7
57.07054	7.0
57.38678	2.6
59.04972	4.4
67.05479	38.3
69.03408	13.8
69.07037	14.4
70.66868	2.9
71.04960	25.6
76.55370	3.6
79.05462	19.3
81.03409	3.2
81.07030	44.5
83.08600	14.8
83.20653	2.6
85.06524	24.4
85.06977	2.6
91.05447	32.8
91.27912	2.8
92.09378	5.6
93.07019	48.4
95.04932	31.6
95.08578	45.2
97.06507	5.7
97.10147	3.0
105.06375	4.5
105.07001	61.9
107.08559	58.2
109.06500	13.8
109.10123	14.2
113.05968	78.4
115.05397	3.6
117.06966	13.3
119.08530	100.0
121.06461	42.2
121.10085	25.8
123.08013	6.6
128.06171	4.5
129.06955	7.8
131.08521	58.0
133.10100	45.2
135.07996	18.8
135.11647	16.5
137.09578	3.5
139.07495	3.5
142.07796	4.0
143.08501	35.4
145.06563	3.9
145.08589	6.8
145.10088	66.2
147.07967	5.4
147.11652	32.6
149.13202	6.5
151.07457	3.5
155.08533	6.3
157.10106	35.4
159.07997	4.6
159.11638	48.6
161.09547	19.7
161.13188	37.7
163.11176	7.4
163.14708	13.8
164.21404	3.0
167.08408	4.0
168.09349	3.4
169.10072	15.4
170.10823	4.0
171.11630	28.0
173.09532	4.7
173.13191	44.7
175.11128	6.3
175.14732	28.9
177.12650	5.0
177.16330	4.1
179.10753	4.0
179.14229	3.5
181.10040	5.4
183.11598	12.6
185.13165	59.1
187.11165	6.9
187.14742	50.4
189.12679	13.2
189.16348	13.9
191.14310	5.7
195.11711	6.1
197.13219	17.8
199.14778	29.5
201.12840	4.5
201.16347	25.9
203.14229	21.7
203.17917	3.7
207.13751	6.4
211.14668	7.1
213.12910	3.5
213.16273	25.4
215.14233	7.3
217.15779	6.8
219.13770	4.3
223.14720	5.7
225.16315	4.1
227.17834	6.7
237.16403	3.7
239.17793	5.6
245.09682	3.6
245.15195	20.9
249.14726	5.6
251.17938	5.2
253.19566	3.7
259.16977	4.2
273.18365	4.5
293.22562	3.4
339.23102	17.0
342.36847	3.7
357.24216	6.7
363.23642	3.8
375.25668	4.9
389.28082	6.1
407.29361	14.9
410.91919	3.3
411.29810	3.2
419.29477	26.5
421.31396	5.2
435.28912	4.2
437.30179	17.9
439.28177	51.6
447.28857	14.0
453.29858	12.7
465.29742	30.9
471.31000	12.7
483.30936	55.3
501.32019	38.2
549.23401	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	519.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01849	2.6
55.05494	5.0
57.03408	2.6
57.07064	1.0
59.04971	1.4
61.02890	3.8
61.06255	0.5
61.49302	0.6
63.58290	0.6
67.05486	10.6
69.03401	9.1
69.07043	10.8
71.04966	6.8
71.25741	0.6
73.02882	0.8
79.05460	6.4
81.03371	3.0
81.07027	22.6
83.04964	1.1
83.08592	1.4
85.02365	1.1
85.02876	23.1
85.06513	3.0
86.15473	0.6
87.04418	0.9
91.03926	1.3
91.05437	7.3
93.07011	17.4
95.04914	5.7
95.08574	30.3
97.02869	5.1
97.06504	5.0
97.10114	1.1
99.04420	1.0
99.08065	1.5
103.05452	0.9
105.01852	0.8
105.06989	14.4
107.04904	2.4
107.08558	17.7
109.02827	2.8
109.06482	7.1
109.10117	15.6
111.08040	10.2
111.11665	0.7
115.05387	0.9
117.06977	1.5
119.04876	1.2
119.08539	15.3
121.06457	1.0
121.10099	10.9
123.08038	3.4
123.11639	8.9
125.05918	1.0
125.09570	2.9
127.03850	3.8
127.07495	0.8
129.06940	1.3
131.04871	0.8
131.08517	6.1
133.06508	1.1
133.10097	11.5
135.08014	3.7
135.11653	5.5
137.05911	3.1
137.09572	100.0
139.11147	1.2
143.08475	1.5
143.10634	0.9
145.02760	0.8
145.04944	4.8
145.06416	1.4
145.10065	9.0
146.07210	1.4
147.08102	0.8
147.11607	6.2
149.09552	1.4
149.13264	1.2
151.03835	0.8
151.11124	7.1
153.05449	1.5
157.10088	3.3
159.08086	0.9
159.11627	7.3
161.09602	1.2
161.13188	2.4
163.03818	1.3
163.05954	0.9
163.11169	1.0
165.12732	1.3
167.07018	0.8
167.10616	1.0
169.10060	1.1
171.11598	2.7
171.50641	0.8
173.09575	1.0
173.13235	4.4
175.14746	2.9
177.05486	0.8
179.10654	1.2
183.11577	0.7
185.13203	2.3
187.14825	2.2
189.12708	0.9
189.16309	0.9
191.14264	1.5
197.13112	0.9
199.14708	3.0
201.16296	2.7
203.14223	1.0
211.14642	0.7
215.17812	0.7
217.15820	1.4
219.17261	1.2
235.16960	1.0
257.72107	0.7
270.87546	0.7
273.21997	0.9
285.22021	3.5
291.23044	3.9
303.23093	13.8
309.23962	0.9
321.24133	41.6
339.25064	7.6
483.29855	1.1
501.31406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01848	0.7
55.05489	2.4
57.03408	1.8
57.07056	4.5
59.04968	1.4
60.02522	0.3
61.02901	0.7
65.03877	0.4
67.05114	0.6
67.05479	16.6
67.67020	0.3
69.03400	4.4
69.07037	1.6
71.04951	0.5
73.02884	3.1
76.73955	0.3
79.05453	1.6
81.03404	0.4
81.07033	3.4
83.04942	2.2
85.02876	5.4
85.06514	10.7
87.04411	0.3
91.05452	2.1
93.07014	6.9
95.04927	2.7
95.08570	100.0
96.08872	0.4
97.02859	2.8
97.06504	0.7
103.24139	0.3
104.62887	0.3
105.06995	5.8
107.08559	9.5
107.64845	0.3
109.06496	2.9
109.10128	1.6
111.08035	0.8
113.05975	8.6
115.03889	1.4
116.65847	0.4
119.04838	0.6
119.08540	17.3
121.06460	1.8
121.10105	8.5
123.04402	0.4
123.08020	30.7
123.11626	3.6
127.03887	1.6
131.08496	2.7
133.04922	0.7
133.06451	1.4
133.07536	0.5
133.10091	3.1
135.08003	1.5
135.11642	12.6
137.09618	2.5
137.13153	0.5
139.07515	0.8
141.09030	0.4
144.72951	0.3
145.04968	0.4
145.10069	0.5
147.04391	0.5
147.08037	2.4
147.11632	7.0
149.09572	39.5
151.07510	1.6
151.14778	2.7
156.09283	0.7
159.08040	0.7
161.09624	0.6
161.13200	10.9
161.14540	0.4
163.03809	0.6
163.11096	4.0
165.09084	0.7
165.12679	6.1
171.11598	2.6
174.10362	2.0
178.67931	0.4
179.14285	2.6
189.12672	12.7
198.96085	0.3
207.13736	60.0
225.14746	4.0
326.21945	0.5
423.32550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80940	0.6
55.01841	1.1
55.05484	3.0
57.03399	4.2
59.04974	7.5
59.18257	0.6
60.73492	0.7
61.02901	0.9
67.05478	6.9
69.03407	10.0
69.07029	3.5
71.04976	1.5
71.97576	0.6
73.02879	6.7
79.05444	4.6
81.03383	3.4
81.07026	5.4
83.04933	3.0
85.02869	10.3
87.04427	0.9
91.05431	9.4
91.57592	0.7
93.07004	11.9
95.04926	5.4
95.08555	11.0
95.98259	0.8
97.02842	7.3
97.06477	1.6
101.05968	1.6
105.06303	0.8
105.06998	18.5
107.04886	3.2
107.08553	34.0
109.02877	1.0
109.06487	17.2
109.10117	14.8
109.14397	0.8
111.04388	1.3
111.08043	1.0
115.03947	2.3
117.06970	1.1
119.04887	4.1
119.06001	0.8
119.07738	1.2
119.08539	20.4
121.06438	3.7
121.10098	7.6
122.07195	1.4
123.08015	28.4
123.11661	1.0
125.05978	0.8
125.09592	1.0
127.03863	3.3
131.04982	0.8
131.08495	2.8
133.04860	0.8
133.06436	3.9
133.10037	6.8
135.08022	9.0
135.11642	15.9
137.09567	100.0
143.08472	1.3
145.04922	1.8
145.10085	0.9
147.04359	6.0
147.07983	3.2
147.11650	12.3
148.49469	0.8
149.09564	36.9
151.07471	4.2
153.09065	6.7
156.09286	3.1
159.11642	0.8
161.13200	15.0
163.11090	1.1
165.12634	2.8
171.11620	5.0
174.10356	5.3
177.12712	1.3
179.03328	1.3
189.12686	20.5
207.13728	47.7
225.14740	10.4
239.06903	5.3
452.32480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85897	0.4
54.80677	0.5
55.01848	0.6
55.05478	2.4
57.03411	1.1
57.07060	4.4
59.04999	0.6
64.63018	0.4
65.71294	0.5
67.05478	16.6
69.03391	3.5
69.07027	2.0
73.02885	1.3
79.05453	0.7
81.07024	3.2
83.01737	0.5
83.04948	2.5
85.02864	3.2
85.06512	14.4
91.05424	1.1
93.07008	5.3
95.04929	1.1
95.08569	100.0
97.02855	2.6
97.06479	0.9
97.75247	0.6
105.06985	5.2
107.08559	9.2
109.06479	2.9
109.10103	2.5
111.04425	0.7
113.05964	8.4
117.24945	0.6
119.08539	15.7
121.06492	0.8
121.10094	6.5
123.08019	31.9
123.11671	2.6
131.08513	2.3
133.06398	0.6
133.10085	2.6
135.11642	12.6
137.09514	1.9
137.13185	0.7
145.04947	0.7
147.08029	2.6
147.11641	5.1
149.09572	34.9
151.07463	2.1
151.14758	2.2
161.13197	10.7
162.46405	0.6
163.11096	4.6
165.12679	6.2
171.11638	2.5
174.10349	1.1
179.14224	3.5
189.12701	12.6
207.13730	51.8
215.03093	0.5
225.14761	4.4
226.96739	0.5
241.98482	0.6
269.70184	0.6
336.48639	0.5
366.18149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.70268	0.4
57.03393	0.4
69.03397	2.5
70.58912	0.4
71.50939	0.4
71.66799	0.4
79.05448	0.7
82.00346	0.5
83.04958	1.0
85.02844	0.5
89.03888	8.2
91.10722	0.4
107.04955	3.5
111.04433	1.1
117.03340	11.4
129.05548	0.5
135.04372	28.8
145.02802	17.8
147.06519	0.4
147.39685	0.5
163.03845	100.0
164.04213	0.6
174.99344	0.5
178.35780	0.6
328.03674	0.5
473.91574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51819	0.7
62.70007	0.7
66.12769	0.9
67.05498	0.9
69.03382	1.6
70.06565	100.0
82.35067	0.8
85.02867	1.5
91.05436	2.2
94.06517	1.4
97.02867	1.1
98.97543	2.1
99.12192	0.9
106.19715	0.9
107.64531	0.8
108.08089	1.5
112.07571	99.8
116.07054	26.9
118.06564	1.0
119.04920	3.8
122.05995	11.1
122.31507	0.8
125.29578	1.0
135.04434	1.3
136.07527	12.5
140.07019	32.4
147.04361	13.7
148.04674	1.4
154.08571	10.8
158.08069	76.7
163.03853	5.2
164.04222	1.4
164.07011	1.5
165.05505	1.3
182.08052	12.0
188.78302	1.0
200.09117	47.6
225.18822	1.0
232.04808	1.5
256.26566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28828	0.7
52.56309	0.8
52.85637	0.8
55.05494	4.3
56.30029	0.8
58.05428	0.7
65.03912	8.3
67.05478	16.3
67.64120	0.9
68.25999	0.8
68.99752	1.0
69.03396	16.3
79.05452	3.5
81.03367	1.2
83.04472	1.5
83.04950	44.0
85.02872	19.6
87.00806	0.9
89.03876	8.3
91.05447	22.7
91.59584	0.8
93.03371	21.2
95.04932	17.9
97.02847	1.2
99.00770	19.7
107.04921	17.1
109.02823	1.5
111.04404	61.6
115.03844	1.2
117.01791	4.5
117.03304	10.2
119.04900	49.9
120.05740	1.3
121.02800	9.2
123.04369	7.7
129.05432	26.9
131.04811	1.1
135.04359	31.0
135.57253	1.0
139.03857	23.7
142.76324	1.0
145.02817	19.6
147.04366	100.0
155.08478	3.5
157.04922	17.5
163.03836	82.8
165.05389	4.1
165.06915	9.7
175.03824	1.2
175.05943	8.9
177.05310	3.3
179.08440	1.4
181.06465	1.3
183.07968	10.2
187.03854	2.1
189.06898	1.3
193.06860	2.1
194.21613	1.0
203.03342	5.4
207.08012	10.8
209.04485	1.3
211.07477	7.6
217.06535	1.2
225.05133	1.0
225.08965	1.5
227.05440	1.5
229.08549	8.7
235.07431	22.8
239.07021	2.0
245.06693	1.4
253.08496	8.6
263.06891	30.3
273.05869	17.0
281.07986	22.3
291.06479	6.4
309.07492	11.7
327.08484	1.9
351.95068	1.1
483.12405	4.4
519.20416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56570	3.3
55.05493	10.9
57.07052	4.0
67.05473	18.3
67.43004	3.7
69.07041	21.1
71.04958	4.3
73.49333	4.3
79.05445	19.1
80.22361	5.4
81.06598	3.6
81.07021	44.2
83.04987	4.6
83.08588	8.5
91.05448	29.6
93.07005	51.4
95.08572	61.6
105.06983	59.1
107.08548	65.6
109.06480	4.8
109.10113	38.3
111.08047	75.5
117.06984	18.5
119.08541	98.4
121.10122	59.6
123.08027	5.2
123.11682	8.9
125.09573	5.5
131.08525	41.2
133.10101	54.0
135.07979	6.4
135.11659	31.0
137.09563	6.5
137.13210	5.5
139.11203	4.5
143.08540	23.1
145.10071	100.0
147.11624	37.0
150.58847	4.7
156.09251	5.8
157.10109	41.5
158.02765	5.8
159.08083	5.9
159.11629	70.9
161.13222	25.3
163.07484	8.8
163.11098	6.4
163.14821	10.2
165.12758	6.0
169.10132	6.4
170.10907	11.5
171.11652	45.4
173.13229	54.8
175.14801	10.7
177.16386	7.7
179.14227	6.6
183.11613	17.7
185.13208	39.4
187.14774	54.4
189.16245	6.2
191.10593	8.1
191.14268	4.5
197.13188	10.0
199.14742	35.6
199.25304	5.2
201.12662	11.0
201.16313	22.6
203.14363	5.3
205.15811	6.2
211.14832	6.6
213.16301	9.7
225.16345	5.8
244.26443	4.7
247.13716	5.9
249.14746	19.0
365.28391	6.5
411.28952	9.9
437.30417	40.6
439.31927	19.2
455.31247	24.3
465.29599	8.3
469.33759	6.1
483.30902	94.2
501.31686	9.5
517.40698	18.8
518.31378	6.1
518.40521	5.9
519.30872	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	518.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	10.7
57.03407	2.4
57.07055	4.1
59.04968	5.3
67.05477	18.1
69.03401	22.7
69.07046	14.8
69.74667	2.2
71.04966	4.5
79.05456	15.5
81.07020	30.0
83.08602	4.0
85.06536	3.2
91.05440	30.9
93.07011	34.4
95.04929	9.0
95.08566	33.5
97.02873	2.7
97.06505	3.4
99.08073	18.9
103.08703	2.4
105.06998	80.9
107.08575	51.6
109.06490	5.6
109.10124	22.7
111.08054	4.0
113.05983	11.8
115.05399	2.8
117.06985	13.8
119.08543	90.3
121.06491	5.3
121.10090	44.8
123.08038	6.0
123.11670	9.9
125.05990	4.6
125.09560	3.7
129.06992	10.6
130.16289	2.8
131.04861	14.6
131.08525	65.1
133.06477	3.3
133.10077	41.6
135.07979	9.0
135.11656	9.9
137.09552	4.3
137.13219	5.6
139.88358	2.5
141.09151	2.7
141.72189	2.4
142.07703	9.2
143.08498	28.8
144.09364	2.9
145.10077	71.5
147.08006	35.5
147.11641	23.6
149.05927	38.5
149.09592	16.9
149.13216	15.1
155.08495	11.9
156.09280	10.7
157.10091	32.0
158.10765	6.0
159.07961	5.9
159.11639	55.5
161.09566	14.7
161.13206	23.3
163.07503	3.0
163.11137	4.7
163.14763	6.2
168.09283	4.0
169.10075	17.3
170.10883	5.2
171.11620	32.6
173.13197	60.9
175.11116	11.9
175.14790	21.3
177.12741	4.6
181.10086	5.2
182.10866	5.2
183.11627	32.8
185.13162	39.4
186.13661	3.6
187.11147	3.6
187.14743	40.5
189.12694	5.7
191.14275	5.5
195.11594	4.2
197.13188	18.9
199.14752	30.0
201.12724	56.6
201.16383	15.0
203.14224	25.9
205.12112	5.7
205.15700	3.2
207.11493	3.3
209.13165	5.8
211.14792	11.3
213.16327	5.4
215.14194	5.5
217.15848	9.9
219.13727	36.2
221.15288	14.8
225.16354	3.8
227.17809	3.1
229.15842	4.1
237.14734	3.4
247.13284	13.0
247.16882	2.6
251.17949	2.9
303.23215	3.5
307.20517	2.6
332.40097	3.1
365.24551	15.4
401.28314	4.0
419.29297	22.3
437.30417	22.3
439.32199	10.8
447.28476	5.2
455.31415	100.0
465.29944	23.0
483.31027	31.8
501.32047	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	518.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37709	1.2
53.00298	2.0
53.03921	2.4
54.80420	1.6
55.01858	2.0
55.05495	12.1
57.03418	3.0
57.07050	2.6
59.04974	2.5
61.02901	1.5
67.05203	1.2
67.05483	20.8
69.03389	8.3
69.07036	16.5
71.04962	34.8
73.06535	2.8
75.04418	1.6
79.05455	27.3
81.03367	3.6
81.07027	84.4
83.04966	2.7
83.08583	9.8
85.02893	10.9
85.06509	6.2
91.05440	25.7
93.07009	100.0
95.04923	12.4
95.08569	54.6
97.02847	3.2
97.06499	10.3
97.10144	2.8
99.04397	2.3
99.08056	1.6
105.07011	23.9
107.04864	2.4
107.07885	2.5
107.08562	49.2
109.06461	17.4
109.10123	41.1
111.08038	19.5
117.06953	5.8
119.08543	55.3
120.08841	2.0
120.21542	1.4
121.06464	2.2
121.10094	27.6
123.08044	8.9
123.11649	16.4
125.09601	11.6
127.11134	8.8
131.08482	12.0
133.10081	15.9
135.08026	7.4
135.11652	10.7
137.09576	73.1
141.09106	2.1
142.07719	3.0
143.08556	6.9
143.10617	20.4
145.10086	19.8
147.07991	2.4
147.11613	12.5
149.09547	3.4
149.13228	23.9
151.11089	3.0
155.08582	2.0
155.10616	36.6
157.10033	15.5
159.00531	2.6
159.10216	3.6
159.11633	15.7
161.09496	1.9
161.13210	8.5
163.03745	2.1
163.11145	6.1
165.12750	2.2
167.14249	61.2
169.10080	2.0
171.11612	6.6
173.09550	1.9
173.13239	6.5
175.11092	2.8
175.14746	3.4
177.12646	1.7
183.11484	2.4
185.13248	3.5
185.15375	1.6
187.11182	1.5
187.14803	2.0
189.12698	1.8
189.16431	1.8
197.13239	2.4
199.14793	13.8
201.12749	1.9
201.16383	2.3
203.14185	2.1
211.14844	1.6
213.16348	2.0
217.15718	5.7
243.77342	1.5
247.34848	1.6
269.12610	1.8
285.21918	10.6
303.23026	26.8
321.24115	27.5
339.25348	3.3
469.14609	11.7
483.30396	2.7
487.15552	3.4
500.30933	1.9
518.31628	2.5
519.18152	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	518.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43393	0.5
53.03926	4.0
53.18223	0.5
55.01859	1.5
55.05496	9.3
57.03413	4.2
57.07053	1.4
61.02902	1.0
65.03914	0.9
67.05481	11.2
69.03403	10.0
69.07049	5.7
71.04964	3.3
73.02898	1.0
75.04435	3.1
79.05464	22.5
81.03387	9.6
81.07024	32.5
82.94052	0.6
83.04945	4.1
83.08602	3.1
85.02866	8.3
85.06524	4.3
91.05445	18.2
93.07009	100.0
95.04949	10.3
95.08568	28.9
97.02862	7.3
97.06522	4.3
97.10126	2.8
99.04428	3.3
99.08066	0.7
105.04491	0.9
105.06992	24.0
107.04922	2.3
107.08560	58.8
109.02814	4.3
109.06490	6.6
109.10130	11.6
111.04413	3.2
111.08047	5.6
113.05947	1.0
117.06977	2.9
119.04745	0.6
119.08536	21.5
121.06481	3.4
121.10099	58.6
123.04374	1.3
123.08012	2.6
123.11647	12.1
125.09639	1.9
127.03892	3.5
129.06976	2.8
131.08531	7.6
133.06433	0.7
133.10091	11.3
135.04362	0.6
135.08005	4.0
135.11650	16.9
137.05952	2.8
137.09578	4.6
137.13252	1.4
139.03911	0.7
139.11151	1.5
142.07726	1.1
143.08513	5.0
143.10654	0.9
145.06425	1.0
145.10089	9.3
147.07996	1.1
147.11641	11.0
148.11946	0.8
149.05870	0.8
149.09576	9.6
149.13213	3.1
151.07404	0.8
151.11154	6.0
153.12697	1.0
155.08492	0.9
156.09319	0.7
157.10074	4.9
157.36140	0.6
159.11626	9.3
161.09554	3.6
161.13222	3.3
163.03792	1.3
163.11104	3.8
163.14763	0.6
165.12665	1.2
167.10597	10.2
167.14192	0.7
169.10130	2.4
169.12122	2.6
171.08006	0.9
171.11635	3.7
173.09563	1.1
173.13216	3.8
175.11127	2.5
175.14796	3.9
177.12624	1.5
179.07034	0.9
181.10057	0.9
181.12123	1.4
183.11656	2.6
185.13197	3.3
187.11101	2.4
187.14763	5.3
189.12645	1.3
189.16354	1.1
191.10645	0.7
193.12178	0.8
197.13217	1.2
199.14706	2.2
201.12692	0.8
201.16321	1.2
211.14738	1.2
213.12810	0.8
213.16335	0.9
215.09122	1.5
225.16180	0.8
227.17854	0.9
229.12286	1.3
229.16011	0.7
231.13570	0.8
243.17397	1.0
247.13147	0.7
257.22491	1.5
259.13138	2.4
267.20972	3.1
277.14252	3.3
285.22113	4.3
293.13721	1.3
295.15311	4.0
303.23184	5.4
311.14850	6.0
313.16602	1.4
321.24277	1.0
429.26138	3.7
447.27295	3.4
455.30991	0.9
462.23709	0.7
465.28531	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	518.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	2.0
53.03913	3.9
55.01842	2.1
55.05490	20.4
57.03406	4.1
57.07050	3.4
58.75782	1.5
59.04967	7.9
61.02903	4.2
67.05482	18.5
67.14125	1.8
69.03410	20.7
69.07037	24.1
71.04964	89.0
73.02885	2.2
73.06491	2.1
75.02753	1.9
79.05466	18.0
81.03382	4.7
81.07022	72.1
83.04939	4.8
83.08578	10.7
85.02871	48.5
85.06504	15.9
87.04452	2.3
91.05446	27.3
93.07005	69.3
95.04921	10.0
95.08572	35.1
97.02843	8.3
97.06493	10.9
97.10120	11.5
98.97495	2.1
99.08057	9.0
105.06995	89.7
107.07882	3.7
107.08559	71.4
108.08915	2.0
109.02814	3.4
109.06478	8.6
109.10127	36.2
115.05421	2.2
117.06955	8.6
117.98914	1.9
119.08541	95.1
121.06427	2.6
121.10102	36.7
123.08009	9.3
123.11662	19.2
125.09592	30.3
126.00526	2.0
126.12980	2.2
127.03873	10.5
127.11120	12.5
129.06976	8.6
130.07706	3.5
131.08504	24.5
133.10081	32.1
135.07912	2.2
135.11653	15.2
137.05867	3.3
137.09547	11.8
139.11130	14.8
141.06963	2.1
141.12657	4.6
142.07741	10.6
143.08511	25.9
143.10637	62.3
144.09294	3.6
145.04916	4.4
145.10081	100.0
147.04375	2.3
147.11646	61.1
149.13208	9.5
151.11153	8.1
153.12589	2.4
155.08478	2.8
156.09299	4.1
157.10075	51.3
159.11627	36.1
161.09613	2.6
161.13200	11.1
163.11121	4.2
169.10065	13.2
169.12166	14.2
171.11604	14.0
173.13177	13.8
175.11217	2.7
175.14729	9.2
182.10780	3.0
183.11646	7.3
185.13181	2.9
187.14713	3.9
189.16328	2.2
191.14288	2.6
197.13261	4.4
199.14778	40.5
201.16327	10.1
203.14331	2.1
211.14806	8.7
213.16298	4.3
215.17665	2.1
217.15854	7.9
233.18860	4.5
235.16811	3.9
267.20926	4.6
285.22061	27.4
303.23093	31.8
321.24179	3.9
475.73318	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37892	0.5
55.05481	1.2
55.76863	0.6
56.05013	0.8
58.06572	1.4
60.08141	23.4
64.32610	0.7
67.05472	4.4
69.07029	1.1
71.07339	8.2
79.05444	3.1
81.07021	3.1
86.09675	79.6
92.62962	0.8
93.07000	1.8
95.08589	1.2
98.98421	5.2
104.10705	100.0
109.10146	1.1
119.08497	0.9
124.99954	46.3
163.01366	0.9
184.07275	94.3
185.09828	0.8
331.58585	1.0
439.79822	0.9
500.30908	10.1
518.32239	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	518.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19902	0.5
53.00288	0.7
53.03923	2.1
55.01858	0.8
55.05495	7.1
57.03408	0.8
57.07053	3.0
59.04973	2.0
59.34561	0.4
61.02902	0.9
66.47108	0.4
67.05485	7.0
67.39916	0.4
69.03401	11.0
69.07037	6.0
71.04572	1.1
71.04966	30.4
73.02883	0.6
73.06520	3.9
79.05460	14.1
81.03387	1.3
81.06546	1.0
81.07026	26.7
83.04939	4.7
83.08588	6.3
85.02868	6.1
85.06516	16.1
91.05452	8.6
92.09332	2.0
93.07007	42.9
95.04939	4.8
95.08575	8.6
97.02869	1.2
97.06489	3.9
97.10129	13.3
99.04417	1.1
99.08076	0.6
105.07000	14.3
107.04918	1.2
107.08561	53.7
109.06484	3.0
109.10117	7.6
111.04440	0.5
111.08056	1.2
117.06958	2.6
119.07752	0.5
119.08535	17.5
121.06458	2.0
121.10101	44.5
123.08025	2.8
123.11648	5.2
125.05991	0.9
125.09587	49.3
127.03906	1.8
127.11134	2.1
129.06927	1.0
131.08534	4.4
133.10069	6.6
135.08014	1.1
135.11662	12.8
137.09569	2.5
139.11136	2.9
141.12749	0.7
142.07726	0.9
143.10632	100.0
145.10088	6.9
147.07990	0.9
147.11647	4.7
149.09622	2.1
149.13245	0.6
151.11150	0.6
157.10112	4.5
159.11673	5.3
160.18834	0.5
161.09557	1.0
161.13257	1.8
163.11128	10.0
167.10616	3.0
169.10057	0.8
171.11646	2.6
173.13179	2.1
175.11151	0.7
175.14667	1.2
183.11642	0.5
185.13141	0.9
187.14728	2.5
197.13289	0.8
199.14796	3.5
201.16263	1.1
211.14865	0.6
217.15871	2.6
235.14795	0.6
235.16727	3.4
269.12311	2.1
285.22067	2.0
303.23074	18.2
321.23981	3.5
455.31387	2.0
462.11914	0.5
483.30042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.05014	0.6
57.03417	0.2
58.06581	0.2
59.07357	0.2
60.08140	9.1
67.05482	0.9
69.07033	0.2
71.07339	3.7
79.05445	0.7
81.07034	0.5
85.72738	0.1
86.09673	47.2
91.05408	0.1
92.08637	0.3
93.07024	0.5
95.08566	0.6
98.98421	4.5
104.10698	3.7
119.08511	0.2
121.10062	0.1
124.99950	35.6
132.43330	0.1
140.64023	0.1
143.00993	0.7
157.64070	0.2
166.82439	0.1
184.07269	100.0
185.07607	0.1
305.42197	0.1
493.16364	0.2
500.31009	0.9
518.32202	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	518.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
53.72491	0.1
54.81456	0.1
55.01850	0.2
57.03412	0.3
61.02895	0.7
65.03904	0.3
69.03409	1.5
73.02865	0.2
76.69812	0.1
81.03366	0.7
83.04946	0.2
85.02872	4.0
89.03905	0.2
91.05449	5.6
97.02878	1.4
99.04380	0.2
109.02881	0.2
111.04395	0.6
115.03869	0.2
119.04901	21.7
123.04415	0.6
127.03893	0.8
131.04884	0.2
135.04362	0.3
145.04906	0.2
147.04366	100.0
148.04692	0.6
149.02293	0.8
149.05902	0.2
161.05956	0.2
163.03864	2.0
165.05354	0.4
173.05888	0.1
175.03879	0.2
177.01773	1.0
177.05412	0.8
187.03807	0.9
189.05453	0.6
203.03331	14.2
205.04906	0.8
215.03307	1.6
219.02837	0.2
220.44807	0.1
229.04958	0.3
229.89459	0.1
231.02834	2.1
233.04359	0.7
261.03775	1.1
279.04852	1.9
291.04855	2.1
301.92273	0.1
321.05939	0.7
324.74738	0.1
339.06952	4.4
339.10733	1.5
357.07928	0.2
508.82358	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	518.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38480	0.3
53.03921	0.6
55.01851	2.3
57.03415	2.9
57.08673	0.3
61.02890	3.1
69.03403	7.7
71.04946	0.5
73.02873	0.6
74.80137	0.3
81.03379	4.5
84.00622	0.4
85.02870	28.3
87.04423	0.6
91.03917	0.5
94.98419	0.3
97.02850	9.3
99.04405	0.6
101.02291	0.5
109.02849	2.8
115.03867	0.8
115.05466	0.6
117.03311	0.6
123.04369	3.4
127.03872	4.3
130.67900	0.4
131.04887	2.0
135.04329	4.0
139.03859	0.5
143.04915	0.8
145.02802	2.2
145.04895	2.3
147.04361	13.9
149.02290	6.1
149.05919	2.2
159.04314	1.8
161.05917	0.9
163.03842	20.9
173.05872	0.5
175.03821	2.6
177.01758	8.6
177.05360	4.2
179.03403	0.6
181.44167	0.4
185.05988	0.5
187.03807	4.4
189.05380	2.9
191.03313	0.8
193.04836	0.4
195.02795	0.4
201.05356	1.5
203.03322	100.0
205.04851	9.5
213.05354	1.9
215.03307	10.4
217.04773	0.6
219.02779	1.7
229.04878	2.5
231.02814	12.6
231.06516	0.8
233.04359	7.8
261.03824	7.4
263.18668	0.4
275.05536	0.5
279.02008	0.7
279.04883	15.2
291.01950	0.6
291.04846	16.4
303.04843	0.9
321.05865	6.0
339.06985	21.6
357.08026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01849	2.1
57.03409	2.3
59.88219	0.4
61.02905	3.1
61.49434	0.3
65.57706	0.4
69.03404	7.3
71.04943	0.6
73.02867	0.6
81.03372	3.9
85.02367	0.9
85.02875	28.0
97.02851	8.8
99.04403	0.8
103.05460	0.4
109.02816	2.6
109.51009	0.4
117.03300	0.8
119.04893	0.5
121.02820	0.8
123.04377	2.7
127.03845	3.4
131.04858	2.2
135.04396	3.5
139.03815	0.8
143.04895	0.6
145.02805	2.7
145.04926	2.2
147.04370	12.2
147.14116	0.5
149.02298	5.2
149.05907	1.0
150.24930	0.5
150.78061	0.4
151.20723	0.4
159.04385	2.1
161.05959	0.9
163.03839	22.1
165.05399	0.8
173.05951	0.5
175.03816	2.9
177.01772	8.6
177.05388	3.9
185.05899	0.5
187.03810	4.8
189.05432	2.0
191.03249	1.4
193.05209	0.6
195.02844	0.7
203.03329	100.0
204.03622	0.8
205.04919	8.2
213.05402	1.8
215.03314	12.4
216.04240	0.5
217.04883	0.6
219.02840	1.7
221.04222	0.5
229.04837	2.5
231.02803	13.5
233.04366	7.7
261.03821	9.5
279.04861	15.3
291.04849	15.7
321.05914	6.1
339.06982	22.6
357.08115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97260	2.1
55.05493	10.5
67.05473	17.6
69.03397	2.5
69.07032	10.7
71.04920	2.8
75.95705	2.4
79.05441	28.8
81.03394	5.8
81.07024	20.5
83.08575	6.1
91.05447	17.1
93.07016	33.2
95.04935	9.3
95.08553	23.5
97.10169	3.0
99.08039	5.8
100.91761	2.4
105.06982	25.9
107.08558	100.0
109.10108	14.0
117.06978	4.8
119.08530	42.8
121.10114	28.1
123.11669	4.2
125.09602	3.3
129.06920	2.9
131.08519	22.6
133.10085	55.7
135.11623	11.0
143.08536	5.5
145.10081	29.9
147.11621	11.7
149.13199	17.9
153.88878	2.5
157.10062	14.0
159.11642	21.1
161.13249	20.0
171.11617	14.0
173.13188	16.7
175.14803	5.5
177.12590	3.5
179.14288	5.1
183.11597	4.8
185.13275	6.1
187.14793	32.0
199.14743	15.2
201.16307	6.0
205.15868	4.6
209.13239	3.4
213.16347	10.4
279.19351	6.1
293.21069	3.5
296.78494	2.7
311.23740	2.9
331.22543	3.1
369.31070	2.8
399.28809	6.0
433.14969	3.1
453.33655	22.4
471.34393	53.3
487.26270	3.1
499.33878	12.0
517.27283	12.2
517.34338	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	517.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.0
53.03919	2.5
55.01845	4.9
55.05278	1.1
55.05490	19.3
56.46505	0.8
57.03407	7.6
57.07061	1.3
65.03905	2.3
66.52052	1.0
67.05477	64.6
69.03394	2.0
69.07043	21.8
69.31630	1.2
71.04967	2.5
79.05460	45.6
81.02942	1.7
81.03387	29.3
81.07021	46.1
81.22045	1.0
83.04955	4.6
83.08579	6.3
85.02873	10.1
85.06496	1.1
91.05441	100.0
93.07004	65.5
93.07487	1.0
95.04939	10.7
95.08564	48.5
97.06522	3.9
97.10098	1.9
104.10732	1.2
105.06994	22.0
107.08550	21.2
109.06486	4.3
109.10114	17.3
117.06957	13.4
119.08528	64.9
121.06464	4.2
121.10110	15.5
123.08015	2.2
123.11641	2.2
128.06140	1.3
129.06976	4.5
131.08531	14.1
133.10075	9.2
135.07986	1.6
135.11618	8.7
137.09566	22.5
137.13208	1.0
141.07034	1.2
143.06995	1.4
143.08492	4.3
145.10057	9.2
147.07999	5.4
147.11635	5.9
149.13255	2.6
155.08467	1.4
157.10075	4.8
159.11670	8.0
161.13245	5.3
165.09050	15.6
169.10025	2.0
171.11612	2.6
173.13219	4.8
181.10077	1.4
183.10155	3.9
183.11633	1.5
185.13205	2.6
187.14774	1.8
197.13280	1.7
223.14445	1.2
239.12741	4.2
248.94304	1.0
259.16830	1.4
261.22061	2.5
261.88449	1.1
335.25754	7.2
407.29779	1.6
425.30298	1.9
499.34067	14.1
517.35095	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3514
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
53.00290	1.1
53.03923	5.7
55.01854	5.7
55.05249	1.2
55.05499	34.8
57.03419	15.6
57.07060	1.7
65.03897	2.4
65.61737	1.1
67.05482	55.7
68.62954	1.1
69.03409	2.9
69.07051	13.1
71.04962	6.0
71.92368	1.1
79.05464	87.7
81.03389	45.6
81.06548	1.9
81.07027	56.8
83.04959	12.2
83.08594	21.7
85.02891	24.6
85.06515	1.5
90.03246	1.1
91.05450	53.6
93.07011	79.3
95.04933	29.5
95.08574	25.5
97.06510	4.6
97.10130	8.3
99.08061	2.4
103.05431	1.4
105.04498	1.7
105.06998	43.5
107.04930	4.6
107.08556	16.8
109.06499	4.8
109.10132	8.7
111.08063	6.1
113.06004	1.5
117.06973	14.0
119.08540	24.0
121.06435	2.3
121.10102	31.1
123.08018	1.8
123.11675	2.6
125.09595	4.3
129.06975	12.0
131.08539	22.0
131.09471	1.9
133.06477	2.1
133.10095	16.6
135.11658	6.3
142.07707	1.9
143.08557	5.1
145.10059	8.4
147.08057	1.9
147.11630	15.4
147.61476	1.2
149.09584	6.5
155.08566	1.2
157.10077	13.1
159.11699	2.9
169.10106	2.4
173.13268	4.7
175.11139	7.3
182.14830	1.4
183.11588	1.8
189.11142	1.5
193.12170	24.2
197.13286	2.1
211.13229	18.2
215.17952	2.3
220.29790	1.4
233.19028	2.0
267.15826	8.1
281.51550	1.2
307.22604	5.0
407.29065	2.0
425.29935	1.3
499.34061	12.5
517.35046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3152
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
53.17082	0.6
55.05479	1.1
56.96543	10.3
67.05476	1.9
69.07039	1.7
71.04946	1.3
79.05449	1.4
81.07001	5.9
83.04936	1.1
85.02856	0.8
91.05435	4.9
93.07013	7.1
95.04935	1.8
95.08578	6.5
97.06478	1.2
98.97536	6.8
100.51773	0.8
105.06987	14.8
107.08555	10.2
109.06494	1.4
109.10124	3.5
115.00657	1.5
115.85614	0.9
116.98599	1.4
117.06964	3.8
119.08531	27.2
121.06435	1.5
121.10094	6.3
123.08020	3.1
123.11633	1.1
128.06126	1.1
129.06914	3.2
130.07767	1.1
131.08514	12.8
133.01671	0.9
133.06514	0.9
133.10088	10.3
135.08058	5.2
135.11623	3.1
141.06877	0.8
142.07719	3.1
143.08511	7.5
144.09256	4.9
145.10077	78.1
147.08002	3.3
147.11620	10.4
149.09541	3.0
149.13196	1.0
155.08464	1.8
156.09273	5.5
157.10065	18.9
158.10875	1.3
159.03258	1.3
159.11635	100.0
161.04793	4.5
161.09573	5.2
161.13202	4.6
163.11102	1.6
168.09258	4.8
169.10052	6.5
170.10802	1.6
171.11627	14.7
173.09573	3.2
173.13188	22.3
175.11087	4.3
175.14720	6.4
177.12630	1.4
179.05896	1.3
181.09955	1.0
182.10854	1.8
183.11635	15.9
185.13176	16.8
187.11124	4.5
187.14740	9.1
189.12708	4.0
189.16327	4.6
197.13155	4.5
199.14783	5.8
201.12689	26.5
203.14204	5.5
205.15868	1.5
209.08408	5.1
211.14780	1.5
213.07860	1.0
213.16386	1.0
215.14305	1.6
217.15807	8.4
219.13664	1.7
223.14714	1.2
225.16350	1.4
227.09488	6.6
229.15707	1.3
233.15457	0.9
235.16849	1.6
237.11557	0.8
243.12602	0.9
245.10764	0.8
247.13197	1.0
255.12523	3.5
267.12564	4.6
273.18527	0.9
277.14523	1.6
285.13541	1.4
295.15720	15.4
313.16675	3.2
337.16760	1.0
417.28000	0.8
421.09491	1.1
435.28986	0.9
437.29977	1.0
453.29837	61.4
454.30325	1.1
455.31302	16.8
457.20908	20.5
471.30972	3.3
473.29108	1.8
489.99545	0.9
499.30383	13.5
517.23370	2.3
517.31311	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3152
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
50.20668	0.7
53.03931	0.7
55.01859	0.9
55.05487	4.3
57.03412	0.9
57.07041	1.0
60.53033	0.6
67.05470	4.7
69.03417	1.0
69.07030	5.6
71.04948	1.7
79.05457	4.8
81.03381	1.1
81.07024	12.2
83.04933	3.1
83.08580	1.0
85.02883	3.2
85.06499	1.6
91.05440	8.2
92.09314	0.9
93.07007	10.4
95.04915	3.4
95.08574	8.3
97.02892	0.9
97.06474	3.7
99.08035	1.2
105.06986	20.5
107.04916	1.1
107.07866	1.1
107.08553	15.7
109.06468	3.2
109.10132	4.8
111.07961	1.5
115.05457	0.8
117.06984	4.2
119.08534	33.5
121.06450	4.0
121.10101	10.4
123.08010	3.1
123.11623	1.3
125.09496	0.8
128.06105	0.8
129.06937	3.9
131.08507	12.4
133.06511	0.9
133.10068	14.9
135.08047	5.4
135.11670	3.5
137.09575	1.8
141.06876	1.0
142.07759	3.5
143.08530	10.3
144.09285	5.8
145.10074	86.6
147.07986	5.1
147.11624	13.0
149.09555	1.4
149.13222	1.8
155.08488	3.3
156.09280	5.2
157.10063	18.9
158.10820	1.7
159.08005	1.5
159.11633	100.0
160.12051	0.8
161.09526	8.6
161.13135	6.9
163.03862	0.9
163.11166	2.7
163.14815	1.7
167.08531	1.1
168.09276	4.2
169.10056	7.4
170.10822	3.1
171.11610	15.6
172.08847	0.8
173.09564	3.0
173.13184	27.6
175.11105	4.8
175.14705	7.0
177.12688	3.2
182.10857	1.7
183.11630	18.6
185.13177	21.0
187.11110	4.3
187.14720	9.9
189.12666	6.2
189.16304	4.0
191.14323	1.4
195.11598	1.3
197.13173	7.5
198.19362	0.7
199.14813	7.2
201.12685	25.8
201.16310	3.1
203.14270	7.8
203.17870	0.8
205.15851	1.2
209.13167	1.1
211.14795	1.7
213.12549	0.9
213.16371	1.4
215.14270	3.1
217.15807	9.2
219.13766	4.2
223.14804	0.9
225.16432	1.6
227.14368	1.1
229.15700	1.1
233.15205	1.3
235.16971	1.4
247.13095	1.4
253.85921	0.9
303.20538	0.8
319.22687	1.3
370.71484	0.7
377.15405	0.8
389.28458	0.8
395.44684	1.0
397.24069	0.7
417.27692	1.1
435.29102	5.2
453.29837	63.1
454.30148	1.1
455.26273	0.9
455.31485	16.2
471.30957	4.5
473.28979	1.7
499.30389	14.1
517.31439	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	517.3149
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
50.78564	0.9
54.81347	0.9
55.05497	5.2
57.03420	1.0
61.02894	1.5
67.05478	5.3
69.03409	2.1
69.07051	4.3
71.04966	1.7
79.05469	8.8
79.05853	0.9
81.03382	4.1
81.07027	14.3
83.04964	3.5
85.02882	2.0
85.06519	2.3
86.78665	0.9
91.05444	25.4
93.07010	14.8
95.04919	4.2
95.08573	11.1
97.06502	4.0
99.08062	14.7
103.05431	1.3
105.06997	75.3
107.04942	4.9
107.08562	15.6
109.06493	4.4
109.10136	4.8
115.05435	1.2
116.06207	1.0
117.06969	11.1
119.08541	51.0
121.06469	6.3
121.10090	15.6
123.08056	1.9
123.11636	1.9
125.06005	9.0
129.06985	5.7
131.04898	25.1
131.08525	51.4
131.15771	1.0
133.06458	2.5
133.10085	16.3
135.08006	6.4
135.11646	4.2
137.09515	1.4
137.99469	1.2
142.07750	1.1
143.08496	11.8
145.06505	2.4
145.10088	16.3
147.08006	68.2
147.11630	9.6
149.05939	60.2
149.07109	2.4
149.09592	2.4
149.13232	2.3
155.08467	1.7
156.09300	2.4
157.10078	7.1
158.10817	1.5
159.08046	4.1
159.11600	11.8
161.09546	7.7
161.13211	3.9
163.03888	4.3
163.07545	2.3
163.11121	1.8
163.14796	3.8
168.09236	1.4
169.10092	2.3
171.11607	8.9
173.13194	45.9
175.11139	5.8
175.14774	5.2
177.12706	1.3
183.11681	4.3
185.13240	2.4
187.11107	1.4
187.14761	6.4
189.03932	1.2
189.12682	7.0
189.16258	1.2
191.14220	2.5
195.11743	1.3
197.13289	2.0
199.14807	2.2
201.12711	21.1
203.14235	7.9
209.13300	1.5
211.14864	1.3
215.14185	2.0
217.15746	2.0
219.13728	62.0
221.02884	1.3
223.14885	1.2
237.14636	7.4
251.11218	2.0
269.12296	11.4
270.12421	1.7
287.69446	1.0
321.21927	1.2
370.15436	1.0
389.28818	1.5
399.25140	4.1
405.27603	5.3
417.27762	2.3
425.29767	1.2
435.28671	8.1
453.29807	18.9
455.31232	5.6
463.74033	1.2
471.30917	100.0
472.31207	1.4
473.32162	1.1
499.30383	6.3
503.13477	1.1
517.31622	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3153
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.05496	4.4
57.03429	1.0
57.07057	1.4
67.05476	3.6
69.03407	1.6
69.07037	4.2
74.21240	0.7
79.05468	7.0
81.02702	0.7
81.03387	1.2
81.07028	9.7
83.04957	2.5
83.08595	1.1
85.06527	1.1
91.05441	10.6
93.07001	11.7
95.04939	3.0
95.08572	10.3
97.06521	2.4
99.08051	9.6
105.06998	20.4
105.16277	0.6
107.04947	1.2
107.08569	23.3
109.06493	4.0
109.10121	2.7
111.08023	1.0
117.06980	5.7
119.08535	30.3
121.06511	2.6
121.10097	12.5
123.08047	2.9
123.11663	0.8
125.09522	0.7
128.06161	0.8
129.06984	4.0
131.08519	16.9
133.06456	7.2
133.10088	19.1
135.08018	5.8
135.11646	5.3
137.09607	1.5
142.07727	1.3
143.08514	8.8
144.09306	0.9
145.06445	1.6
145.10072	18.4
147.04356	0.7
147.08003	4.6
147.11658	7.8
149.05981	1.0
149.09587	3.0
149.13258	1.3
151.07553	1.0
153.72755	0.7
155.08574	3.5
156.09340	2.8
157.10072	10.4
159.08049	5.2
159.11629	17.4
161.09558	11.9
161.13213	11.2
163.07494	1.6
163.11098	1.3
167.08510	0.7
169.10098	6.1
170.10828	1.1
171.11618	12.0
173.09584	5.0
173.13174	14.4
175.07484	0.7
175.11105	5.3
175.14751	6.1
177.12787	1.3
178.39928	0.7
181.10086	2.6
183.11539	4.8
185.09563	3.7
185.13184	10.3
187.11099	8.8
187.14754	10.5
189.12746	6.8
189.16370	1.2
191.14253	1.3
193.10165	1.1
195.11705	3.6
197.13249	6.8
199.11188	3.3
199.14812	2.9
201.12648	8.1
203.10645	1.2
203.14172	5.4
205.12155	1.4
207.11658	1.5
209.13274	3.2
211.11177	1.3
211.14790	1.5
213.12706	4.7
215.14290	3.7
219.11761	1.2
219.13737	2.2
221.13258	2.9
221.15262	1.3
223.11189	1.4
223.14841	3.6
225.12698	1.6
227.14307	1.1
229.12242	3.8
229.15770	1.1
231.13776	3.0
233.13191	1.4
233.15242	1.6
235.14867	1.3
237.16356	1.3
239.14291	1.0
241.15915	1.3
243.11749	0.8
245.13135	0.8
247.14876	1.6
249.16399	0.8
251.17770	0.9
259.17007	1.1
261.16415	1.2
267.17313	1.4
273.16257	0.7
275.17819	0.8
277.15912	1.4
279.17322	0.9
281.18793	1.5
283.16534	0.7
303.17709	0.8
317.22702	1.4
319.20538	0.8
321.18390	0.8
321.21988	1.0
335.23492	2.6
337.21356	1.1
339.23297	0.9
351.23117	1.2
363.23056	4.4
381.24072	7.5
385.40128	0.7
393.27927	1.5
399.25443	4.1
405.28107	0.7
407.29193	1.0
409.27322	1.1
417.27774	3.3
421.27356	1.0
427.24609	1.5
435.28711	8.8
439.28140	0.8
451.28381	1.0
453.29892	17.4
455.27545	7.1
463.28223	1.5
471.30853	13.1
480.19110	0.7
481.29266	10.2
499.30377	33.4
517.31451	100.0
518.31964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3153
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
51.16218	2.4
51.30085	2.6
51.88519	2.9
53.03942	2.2
55.01849	4.8
55.05487	12.6
57.07044	2.8
67.05480	20.1
69.03416	11.2
69.07041	14.3
71.04942	3.5
79.05454	33.4
81.03383	4.7
81.07019	33.2
83.04942	7.0
83.08601	3.2
85.02867	13.0
85.06494	6.2
91.05428	36.6
93.07001	50.7
95.04922	16.8
95.08572	33.9
97.02841	3.3
97.06476	6.5
99.08068	17.4
105.06992	60.5
107.04901	4.4
107.08554	100.0
109.06474	13.9
109.10102	21.5
111.04349	3.3
117.06962	15.1
119.06075	3.2
119.08532	67.6
121.06493	4.6
121.10071	33.1
123.08033	11.2
123.11629	3.6
128.06165	3.9
129.06970	7.4
129.24834	2.8
131.08508	62.2
131.59715	3.2
133.06499	4.6
133.10075	39.7
135.04341	4.3
135.08012	17.1
135.11656	5.4
137.09566	16.1
142.07747	3.8
143.08508	37.6
145.10085	39.5
147.08032	7.1
147.11632	26.7
149.09590	6.7
151.07533	3.7
155.08485	6.9
156.09305	4.1
157.10072	36.4
159.07990	6.2
159.11639	30.0
161.09573	14.9
161.13200	25.6
163.03899	19.2
163.11125	4.4
167.08441	4.0
169.10074	24.3
170.10994	3.3
171.11604	27.6
173.09555	5.0
173.13214	35.7
175.11142	6.2
175.14798	7.1
177.12634	4.5
181.10040	6.3
183.11667	18.6
185.09599	6.1
185.13184	18.6
187.11014	3.9
187.14778	17.1
189.12656	6.4
189.16322	3.6
191.14278	6.3
193.10115	3.7
195.11612	13.4
197.13217	11.7
199.11032	5.2
199.14761	4.3
201.12717	6.2
201.16383	3.5
207.11566	5.6
209.13289	13.4
211.14833	5.4
213.16322	4.0
215.14227	4.7
217.15866	6.1
219.11673	3.7
219.13670	3.7
219.17438	3.3
221.13223	4.5
223.14798	3.6
225.16286	3.3
233.13135	4.7
235.14761	3.9
237.16457	4.2
249.16399	3.4
251.17850	6.0
257.15442	3.2
269.12308	13.8
345.22006	5.5
363.22980	12.9
381.24142	16.6
399.25229	22.0
407.29193	4.8
417.27835	15.0
435.28757	40.8
453.29947	71.2
463.28204	5.6
471.30899	78.9
481.29233	16.1
499.30270	17.0
517.31531	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	517.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02094	0.6
53.03926	1.0
54.50560	0.7
55.05492	1.8
56.96307	1.3
56.96545	34.0
57.07040	1.0
64.32526	0.7
67.05479	4.0
69.03394	4.4
69.07040	3.3
71.04960	7.4
79.05454	4.5
81.03387	1.5
81.07021	11.0
83.04948	1.8
85.02884	1.9
85.06510	5.2
91.05434	4.7
93.07027	6.5
95.04932	3.2
95.08575	9.4
97.02866	1.4
97.06489	1.4
98.97544	26.4
102.72195	0.7
105.06998	6.4
107.04910	0.9
107.08554	9.1
109.02824	1.1
109.06487	4.0
109.10105	1.9
115.00661	7.4
116.98586	18.7
119.04916	1.1
119.08541	7.6
121.06494	0.7
121.10107	7.7
123.08026	3.2
123.11654	4.1
125.09605	6.1
125.64801	0.8
127.00665	0.8
131.08517	3.5
133.01691	9.1
133.10069	4.9
134.99611	12.1
135.04358	1.0
137.02713	3.2
137.05945	1.4
137.09605	1.0
141.02185	1.1
141.08937	1.0
142.07751	0.9
143.03749	3.5
143.08488	1.5
143.10661	9.2
145.01704	3.1
145.02768	1.1
145.10066	5.5
147.03215	1.3
147.04361	1.8
147.11662	4.0
149.09595	1.3
151.02747	0.9
155.03755	4.2
157.10088	4.1
158.01329	1.0
158.99614	4.8
159.03241	5.2
159.11641	1.9
161.01173	1.3
161.04802	19.2
161.13194	1.8
163.02670	1.0
163.03850	4.2
167.10536	0.9
171.03224	1.8
173.04745	2.0
173.13243	2.0
175.06387	1.3
177.00694	8.4
177.04144	0.8
179.05809	8.9
181.05315	1.1
183.11508	1.2
185.04796	1.3
187.06233	1.4
187.14630	0.9
195.06844	3.2
197.08383	1.5
197.13194	0.9
199.06308	5.9
201.07919	1.5
203.05833	1.1
207.06888	1.4
209.08408	13.8
213.07819	6.0
215.09433	7.0
219.09055	1.0
223.10016	0.9
225.07779	1.6
225.11429	1.4
227.09467	26.6
231.09062	1.8
233.10388	1.3
237.11514	8.6
241.11055	6.6
243.12497	7.0
245.10533	3.1
253.11119	1.1
255.12569	17.4
261.13611	1.5
267.12546	12.1
277.14694	4.3
279.12561	3.3
285.13657	4.9
289.21844	0.9
293.14172	7.6
295.15707	100.0
311.15298	1.2
313.16721	18.5
319.15335	1.1
319.22589	1.8
337.16733	53.5
337.23267	1.8
439.67694	1.0
451.27908	0.9
453.29398	0.9
457.20947	72.8
499.30399	1.0
517.21295	2.0
517.30048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91301	0.7
55.05491	4.4
56.96548	35.0
57.07066	0.8
58.82183	0.8
61.19362	0.9
67.05479	5.1
69.03407	4.3
69.07045	4.7
70.06557	1.5
71.04974	4.5
79.05473	3.8
81.03389	1.8
81.07034	14.1
83.04956	3.5
83.08611	1.5
85.02872	4.0
85.06494	2.0
91.05453	6.3
93.07010	7.6
95.04933	2.0
95.08559	10.6
97.02878	3.6
97.06491	2.0
98.97543	27.0
105.07012	7.3
107.04890	1.1
107.08539	9.7
109.06470	1.4
109.10119	4.5
115.00645	8.3
116.98586	21.2
117.07010	1.7
119.04910	1.3
119.08548	6.4
121.06506	1.1
121.10101	5.6
123.08027	1.8
123.11708	1.1
125.09590	5.9
127.00616	1.6
127.03880	1.4
131.08521	2.1
133.01682	8.0
133.10085	5.0
134.99620	9.3
135.04436	1.3
135.07990	1.3
135.11632	1.5
137.02687	1.4
137.05934	1.6
139.11150	1.5
141.02179	0.9
141.09035	1.0
143.00143	1.1
143.03783	4.7
143.10626	9.3
145.01704	3.8
145.02783	1.2
145.10051	6.5
147.03282	4.7
147.04338	3.1
147.11670	2.1
155.03748	1.7
155.08519	1.1
158.99649	5.6
159.03172	1.6
159.10336	1.0
159.11635	4.2
161.04796	16.8
161.06017	1.0
161.09610	1.5
161.13144	1.1
163.02698	1.7
163.03883	6.9
171.11694	1.5
173.04868	3.2
173.13200	1.4
175.06270	1.3
177.00648	9.8
177.04224	1.1
179.05896	5.4
185.04724	1.6
191.05820	1.3
195.06862	2.0
197.08363	1.1
199.06401	4.1
201.07939	1.3
209.08401	14.8
213.07954	5.8
215.09515	6.8
215.14377	0.9
218.80084	1.1
225.07950	1.8
227.09468	25.1
231.08868	1.1
237.02684	1.3
237.11526	8.1
241.11108	4.8
243.12637	4.6
245.10544	1.6
255.12540	15.8
259.12003	1.8
261.13684	1.9
265.11221	1.1
267.12506	10.9
277.14581	4.4
279.12631	1.7
281.96387	0.9
285.13666	7.3
293.14194	6.1
295.15701	100.0
311.15491	0.9
313.16745	14.0
314.11926	1.5
319.15604	1.2
319.22473	1.2
337.12598	1.7
337.16718	52.5
349.16956	1.4
435.29031	1.3
444.02859	1.2
457.20935	69.1
517.20459	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	517.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01846	0.3
57.03407	0.7
61.02903	1.5
67.05455	0.2
69.03412	2.3
79.05455	1.3
81.03377	1.3
83.04932	0.4
85.02373	0.3
85.02873	7.6
87.04418	0.2
87.76929	0.2
89.03885	4.9
91.03922	0.2
92.87395	0.2
95.04909	0.3
97.02852	2.5
99.04389	0.3
107.04911	2.1
109.02841	1.0
111.04408	0.2
117.03339	8.6
127.03875	1.5
135.04367	20.7
145.02802	15.2
145.03958	0.4
145.04887	1.0
163.03841	100.0
164.04156	0.3
238.45714	0.2
251.06693	0.3
279.06610	0.3
439.92648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	13.1
55.05490	2.7
57.53636	1.9
59.36989	2.1
61.02892	2.6
61.77517	1.8
69.03385	5.2
69.07038	2.4
79.05472	3.1
81.07017	11.7
83.04946	2.2
83.23515	2.0
85.02851	8.9
86.09656	3.8
91.05450	3.8
93.06998	4.7
95.04936	3.2
95.08550	8.4
103.03893	2.7
105.07062	2.4
107.04876	3.8
107.08587	3.1
109.06468	2.0
117.03308	3.4
119.04893	13.9
119.08538	3.5
121.02821	64.4
122.09597	5.3
127.03819	2.6
134.16211	2.3
137.05940	2.4
137.09590	2.9
145.02789	15.3
147.04330	3.1
152.87428	2.3
155.14232	2.7
159.04388	4.1
163.03801	3.8
175.03857	2.8
177.05310	4.3
181.04893	4.5
185.36671	2.2
187.03833	5.0
189.01740	9.2
191.03233	3.3
195.02887	8.6
201.05376	4.4
203.03372	37.4
205.04855	3.0
207.02826	5.3
215.03474	15.6
217.04959	10.3
221.04253	16.8
231.02852	2.5
233.04372	8.6
233.08049	10.8
234.08470	3.6
239.07121	2.9
241.04849	4.3
243.02788	2.3
245.04277	5.0
252.74513	2.2
269.04352	2.6
273.04034	2.8
279.06412	11.8
281.08109	2.7
293.07910	9.4
294.05127	8.2
295.05911	65.8
295.09286	2.9
296.06558	2.8
297.07510	9.9
304.07053	2.6
305.08069	4.9
307.05890	47.9
308.06696	21.4
309.04031	4.0
309.07285	22.8
313.54541	2.7
317.08115	5.4
319.05902	4.9
320.06656	11.1
321.07477	100.0
322.08121	16.6
323.09158	15.8
325.06973	36.6
329.07877	4.9
333.07446	39.3
334.08093	3.9
335.08957	35.9
337.06961	31.1
345.07404	25.7
346.08173	3.0
347.08914	16.0
349.06973	62.8
351.08466	35.3
359.08871	7.9
361.06946	37.2
363.08545	35.9
367.07870	10.8
371.08923	3.5
373.06839	25.9
375.08572	22.6
377.10187	4.3
379.07919	63.5
387.08316	19.4
389.09930	4.8
391.07999	48.7
393.09464	2.8
397.09097	28.8
399.08350	4.2
403.07825	21.1
405.09412	21.7
409.09048	33.7
415.08115	17.3
417.09415	13.8
421.08740	4.5
427.09943	21.3
433.08975	45.7
436.78088	2.6
445.08932	20.0
451.10144	43.0
463.09946	21.0
469.11215	72.8
481.11075	79.6
499.12125	60.2
516.27368	2.6
517.13110	29.4
517.22058	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	517.1332
Annotation	Isochlorogenic acid A
Peak:m/z	Relative Intensity
53.45063	0.3
55.01857	6.3
55.05509	0.5
63.02334	0.3
65.03925	0.4
67.05470	0.8
68.99766	0.3
71.04948	0.4
73.02895	0.5
79.05458	1.5
81.03373	0.9
81.07001	0.5
83.04951	0.8
85.02863	0.8
89.03889	5.9
91.05421	0.5
95.04980	0.5
100.11220	0.5
104.49069	0.4
107.04913	2.9
111.04397	0.7
115.05427	1.5
117.03349	9.1
121.02797	0.4
124.42791	0.5
127.03935	0.6
131.04877	1.9
135.04372	26.2
135.05415	0.9
137.02307	18.1
137.03381	1.4
143.04901	0.6
145.02814	19.1
145.03947	0.7
147.04366	1.6
152.06158	0.6
153.06953	0.6
159.04366	6.5
161.05957	0.8
163.03845	100.0
165.06993	0.7
173.02327	0.5
181.06418	13.0
185.06018	0.6
187.03833	3.0
189.05418	6.1
199.07443	0.6
209.05917	26.9
213.05382	11.5
215.03348	2.5
215.30562	0.4
227.06934	3.7
227.51985	0.4
233.07968	1.4
234.08308	0.4
237.05386	45.8
238.05734	0.4
239.06929	0.4
241.04869	32.3
251.06824	0.5
255.06438	9.8
265.04852	32.4
266.05542	0.4
283.05914	54.7
325.06924	10.0
479.41656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28480	7.1
54.72356	6.9
55.05476	7.7
62.06061	49.4
64.76248	6.9
67.05465	14.8
69.07034	15.4
79.05476	7.3
81.07019	38.0
83.08575	9.4
91.05450	10.9
93.06992	32.0
95.08562	56.8
97.30595	7.2
98.83889	7.4
105.07005	38.0
107.08556	56.4
109.10123	36.0
119.08530	51.9
121.10088	44.0
123.11655	45.6
131.08514	16.9
133.10072	48.9
135.11641	33.6
145.10062	15.3
147.11646	38.4
159.11629	30.1
161.13229	34.4
163.11150	11.7
163.14723	10.5
171.11674	10.9
175.14845	10.7
183.11552	8.4
185.13196	10.7
187.11142	8.7
189.16354	17.5
201.16435	10.8
229.19452	18.2
270.94998	8.2
331.95914	7.6
409.34787	17.1
480.37936	12.5
498.39450	96.2
513.27460	8.3
515.36926	14.7
516.37866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28480	7.1
54.72356	6.9
55.05476	7.7
62.06061	49.4
64.76248	6.9
67.05465	14.8
69.07034	15.4
79.05476	7.3
81.07019	38.0
83.08575	9.4
91.05450	10.9
93.06992	32.0
95.08562	56.8
97.30595	7.2
98.83889	7.4
105.07005	38.0
107.08556	56.4
109.10123	36.0
119.08530	51.9
121.10088	44.0
123.11655	45.6
131.08514	16.9
133.10072	48.9
135.11641	33.6
145.10062	15.3
147.11646	38.4
159.11629	30.1
161.13229	34.4
163.11150	11.7
163.14723	10.5
171.11674	10.9
175.14845	10.7
183.11552	8.4
185.13196	10.7
187.11142	8.7
189.16354	17.5
201.16435	10.8
229.19452	18.2
270.94998	8.2
331.95914	7.6
409.34787	17.1
480.37936	12.5
498.39450	96.2
513.27460	8.3
515.36926	14.7
516.37866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
53.25453	0.3
55.01840	0.8
55.05496	5.3
57.03411	3.8
57.07059	0.5
60.29396	0.3
61.02905	0.5
65.03913	0.5
67.05479	4.0
69.03402	6.4
69.07047	3.1
71.04958	0.7
73.02876	0.7
75.04445	4.3
77.03908	0.5
79.05459	18.6
81.03378	5.0
81.07026	7.2
83.04947	1.6
83.08616	0.5
85.02877	5.2
87.04438	0.4
91.05441	17.1
93.07005	100.0
95.04929	6.4
95.08570	7.5
95.09150	0.5
97.02835	4.0
97.06506	2.3
99.04376	0.5
103.05394	0.4
105.04475	1.3
105.06985	12.6
106.07830	0.5
107.04896	0.6
107.08556	48.2
109.02837	2.3
109.06489	3.8
109.10127	3.4
111.04442	0.5
111.08041	4.5
117.06981	1.5
119.06055	0.8
119.08535	9.9
121.06476	1.4
121.10094	51.8
123.08051	2.6
123.11659	0.8
125.05932	0.8
127.03876	2.1
129.93111	0.3
131.08528	3.9
133.07634	0.4
133.10098	3.2
135.08046	0.5
135.11636	15.9
139.11153	2.3
143.08530	1.4
145.04884	0.7
145.10069	2.3
147.11662	2.3
149.09531	6.1
151.11125	0.6
157.10092	1.4
159.11638	2.1
163.03699	0.5
163.11108	0.7
167.10608	10.8
167.11935	0.5
171.11597	0.6
173.13179	0.4
175.11034	0.6
177.05379	0.5
185.13179	0.6
191.10599	0.5
199.14645	0.5
201.16316	0.4
213.16281	0.5
255.21085	0.5
283.20544	0.6
293.13776	2.2
301.21320	0.4
311.14783	7.9
329.15863	0.5
415.67737	0.4
445.25772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88666	2.0
53.03925	5.5
55.01852	12.0
55.05504	23.6
56.96542	5.4
57.03408	3.3
57.07065	2.0
58.36600	1.9
65.03922	2.9
67.05225	1.9
67.05487	34.2
69.03407	35.6
69.07048	26.3
71.01331	4.3
71.04965	18.7
79.05458	38.7
81.03392	45.2
81.06561	3.3
81.07027	100.0
81.64091	2.3
83.04961	17.4
83.08560	4.3
85.02885	21.8
85.06509	4.6
89.06030	4.3
91.05442	30.6
93.07010	85.7
95.04935	33.4
95.08573	79.8
97.02861	51.9
97.06497	28.8
97.10139	10.1
98.97527	15.3
99.04413	18.7
99.42941	2.4
103.03868	2.8
105.06995	53.7
107.04902	13.9
107.07892	3.8
107.08562	75.1
109.02831	4.8
109.06486	23.7
109.10133	40.5
111.04415	17.7
113.05978	4.5
115.05404	2.5
116.98603	2.9
117.06968	10.9
119.04895	3.8
119.08558	34.7
121.06438	17.9
121.10091	31.4
123.04403	22.1
123.08021	5.3
123.11656	42.4
125.05934	3.3
125.09573	12.7
127.03838	3.8
127.72636	2.2
128.06210	4.5
129.06970	11.8
131.04852	3.9
131.08519	23.7
133.06436	9.9
133.10094	35.3
134.99710	3.0
135.04343	14.8
135.08005	15.5
135.11632	39.0
137.05965	17.6
137.09566	18.6
139.03879	5.5
139.07495	3.6
139.11182	2.5
142.07732	3.2
143.08533	17.2
143.10648	3.0
144.52292	2.4
145.04927	3.7
145.06445	4.5
145.10095	25.0
147.04407	3.8
147.08015	5.6
147.11639	14.2
149.05945	3.6
149.09555	24.6
151.03906	3.8
151.07538	4.7
151.11148	33.3
153.05437	4.2
153.12682	11.3
155.08583	3.0
155.45230	2.6
157.04936	3.9
157.10063	13.5
158.07268	2.5
159.07968	11.9
159.11658	15.1
161.05948	10.5
161.09515	23.8
163.03833	5.6
163.11137	30.0
165.06897	2.8
169.10007	2.6
169.12125	13.1
171.07979	3.7
171.11635	5.3
173.09557	5.0
175.07495	2.7
175.11084	12.9
177.05368	4.9
179.06973	16.2
179.10559	4.8
181.12157	25.7
183.11609	2.4
187.07341	2.7
187.11101	4.7
189.09111	4.3
189.12700	4.4
193.12242	2.4
197.08084	9.3
199.13266	3.1
205.12192	3.6
207.39626	2.5
212.89894	2.5
213.12730	4.5
215.09074	20.0
217.12190	5.9
229.12137	5.8
231.13707	11.5
235.13171	4.0
241.12053	3.6
247.13120	18.6
259.13147	33.0
277.14240	50.0
289.10843	3.2
295.15262	28.6
313.16443	18.7
337.25931	3.1
408.84213	2.9
455.19241	3.3
456.20050	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	515.372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50385	5.6
55.05492	9.4
57.07048	6.4
57.23852	5.6
67.05476	11.4
69.07034	27.1
79.05441	12.6
81.07033	51.6
81.07427	5.7
83.08612	7.3
84.24931	7.3
91.05440	25.9
93.07005	50.8
93.44517	6.3
95.08572	88.1
100.62659	6.2
105.07001	42.9
107.08556	74.6
107.60492	6.6
109.10123	52.0
117.06899	7.6
119.08546	100.0
121.10116	52.8
123.11631	12.3
131.08534	33.3
133.10095	70.3
135.11647	45.6
145.10083	59.7
147.11638	46.0
149.13301	11.4
159.11668	55.0
161.13190	34.7
163.07480	8.0
163.14769	28.9
171.11612	6.9
172.62613	5.7
173.13196	26.2
175.14751	31.8
177.16190	5.9
187.14769	47.8
189.16316	42.0
191.17830	55.1
199.14807	7.2
201.16302	92.8
203.17830	30.7
215.17900	12.5
241.19441	22.0
247.16733	11.4
391.33389	11.7
409.34610	93.2
437.33832	31.1
455.34665	8.5
515.31494	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91286	4.2
55.05503	9.9
58.04749	4.3
59.66169	4.4
67.05495	9.0
69.07048	11.1
70.17665	4.2
79.05482	8.0
81.07011	35.3
83.57050	6.1
85.01619	4.1
89.90075	4.6
91.05479	19.4
92.50739	4.6
93.07025	27.7
95.08574	39.2
103.25090	4.9
105.07017	28.8
107.08562	54.2
109.10123	18.0
119.08539	77.4
121.10134	46.4
123.11708	5.0
131.07709	6.0
131.08530	33.8
133.10077	51.8
135.11708	30.6
138.23549	4.7
143.08522	9.6
145.10091	100.0
147.11710	30.9
149.13249	23.5
157.10094	19.4
159.11670	35.4
161.13185	44.2
163.14780	8.0
171.11678	11.5
173.13190	50.9
175.14792	26.7
185.13213	19.2
187.14758	72.1
189.16345	9.2
199.14841	21.2
201.16411	32.3
211.14769	5.2
213.16322	11.8
216.38231	5.2
247.16902	4.8
272.20993	6.2
272.59622	6.3
295.01746	5.5
295.06079	7.6
409.30948	19.4
419.29568	7.3
437.30560	8.1
451.31812	22.1
455.31314	6.0
469.32944	40.3
515.36646	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05508	17.7
57.03405	8.8
57.07050	6.9
57.94710	1.5
61.02895	7.1
62.15642	1.9
65.03915	2.4
65.20359	1.6
67.05483	94.0
69.07043	23.5
71.04920	1.9
73.02905	2.0
79.05460	53.2
81.03403	2.9
81.07026	100.0
83.04971	2.9
83.08589	8.7
85.02890	3.0
91.05451	36.3
93.07011	67.9
95.04927	4.2
95.08572	80.9
97.06495	3.4
97.10123	2.2
99.08041	2.6
105.07011	27.0
107.08562	44.5
109.06494	2.8
109.09502	2.2
109.10133	29.8
109.43739	1.9
110.91933	1.7
117.06976	12.9
119.08537	21.3
121.10105	35.4
123.07986	2.5
123.11671	11.8
129.06903	2.7
131.08543	28.4
133.10089	18.0
135.11668	25.2
137.13251	2.1
145.10074	14.4
147.11662	12.2
149.13216	15.7
157.10040	2.1
159.11633	9.6
161.13202	10.3
163.14772	8.4
173.13182	9.0
175.14725	2.9
177.16266	1.7
187.14738	7.1
187.57178	1.7
201.16278	2.5
215.17924	2.0
220.00069	2.1
243.21065	13.6
261.22055	40.2
283.02353	1.9
313.15726	2.1
335.25809	13.7
353.26755	15.4
441.12677	2.5
474.36404	3.8
490.92670	1.8
493.21414	2.0
497.30704	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2993
Annotation	(-)-Euphomine A
Peak:m/z	Relative Intensity
55.05494	3.0
60.81182	1.4
62.13880	1.7
67.05476	6.7
69.03378	1.9
69.07047	18.0
70.64785	1.8
71.04993	1.7
79.05473	3.6
81.03381	7.0
81.07015	16.8
83.04945	2.8
83.08601	1.9
91.05457	10.6
91.83258	1.5
93.07014	10.6
95.04920	2.1
95.08558	9.6
97.06496	1.8
99.08070	9.2
105.06998	20.9
107.08523	13.1
109.06511	3.3
109.10116	3.9
117.06979	3.7
119.08562	21.5
121.06498	3.6
121.10124	3.2
123.08025	3.0
129.06990	2.2
131.08469	14.5
133.06482	3.6
133.10103	12.3
135.07994	7.1
135.11668	6.8
137.02307	15.2
143.08524	6.0
145.10085	19.1
147.08040	7.4
147.11655	3.6
149.09592	3.7
151.07571	2.9
155.08554	2.3
157.10127	8.2
159.08023	2.5
159.11652	18.8
161.09575	13.0
161.13237	2.6
163.11151	3.5
171.08023	2.1
171.11652	3.6
173.09564	3.2
173.13264	11.1
175.11089	3.9
175.14729	1.6
177.12727	9.3
183.11674	5.9
185.09604	7.3
185.13148	2.1
187.11136	6.5
187.14778	4.1
195.11629	2.0
197.09608	2.7
197.13220	2.0
199.11172	3.0
199.14737	2.0
201.12686	3.5
203.07048	6.3
203.10634	3.3
213.12692	3.0
219.13872	2.3
221.05940	2.0
269.15186	2.0
295.05899	3.3
323.05472	3.6
348.15472	1.8
378.72882	1.7
379.22787	3.7
391.26465	2.0
409.27362	3.7
451.28223	12.5
455.27704	49.6
459.35104	1.8
469.29358	11.0
470.36368	1.9
479.27615	3.4
497.28589	14.0
515.29901	100.0
515.36890	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	515.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
54.81116	0.8
57.03405	3.5
61.02887	1.6
64.32624	0.6
67.05494	1.4
69.03401	12.1
69.07042	10.3
69.25829	0.7
70.06535	0.8
71.04974	1.0
72.86617	0.7
73.02881	1.3
74.28766	0.7
79.05462	1.3
81.03372	4.2
81.07010	3.3
81.10818	0.6
81.61704	0.7
83.04948	3.0
85.02872	14.1
91.05440	0.8
92.04974	0.7
95.04916	3.1
97.02867	11.5
97.06475	2.9
99.04372	0.8
100.32858	0.6
106.06472	0.9
107.08566	1.4
108.04421	1.1
109.02822	1.0
111.04388	1.7
119.04910	1.0
121.06376	0.7
121.10132	0.8
122.06033	0.9
124.07558	6.4
125.09583	5.0
127.03848	4.4
133.07565	3.4
137.05923	1.1
137.09589	3.1
138.05446	9.9
140.06989	0.9
145.08829	1.0
147.04410	6.4
148.04730	1.0
149.07002	0.7
150.05466	13.4
161.07085	11.7
161.08258	2.0
162.09052	1.3
163.03822	2.7
165.06955	1.1
166.04942	7.0
167.10583	1.5
170.08247	0.8
172.11121	0.9
173.07008	1.1
175.04985	1.3
176.03374	1.3
177.06956	1.0
178.04863	1.7
182.08128	4.2
184.09738	0.8
185.11684	1.1
188.10658	0.9
190.12158	1.3
192.02809	4.5
193.06274	1.2
196.09914	1.0
197.10638	3.7
198.07712	9.8
202.12161	1.5
203.03271	1.7
203.12708	1.4
205.06342	3.7
210.03894	4.1
210.07794	1.6
211.12212	1.2
212.09392	3.0
213.06607	0.9
213.10141	14.5
215.08017	1.3
215.11777	0.8
216.10155	1.3
218.11705	1.6
219.07593	1.2
221.05916	19.0
221.13864	1.2
223.07394	5.5
225.10156	7.6
226.07286	4.0
227.11710	11.1
228.10121	2.8
229.18556	0.8
233.05992	1.3
237.10246	1.1
239.06999	1.0
241.09572	8.1
243.11223	5.8
245.12779	1.1
246.11133	1.6
249.05368	17.7
251.06958	6.4
253.09613	8.3
255.11266	5.6
257.09253	1.7
259.10709	4.2
261.12286	4.5
267.06473	4.1
268.08264	3.7
269.08923	4.5
271.10693	24.1
272.08929	1.3
273.12274	8.5
277.04947	4.9
279.06439	1.1
281.09119	1.3
283.10617	1.5
285.07568	0.9
287.10153	100.0
288.10785	1.2
289.11664	12.0
295.05905	29.7
299.10165	28.8
301.11621	5.4
305.11191	0.8
313.06931	3.3
317.11206	65.6
323.05377	12.8
335.12247	36.1
341.06433	4.6
344.57870	0.8
353.13373	1.3
397.37561	0.8
452.93631	0.8
479.16269	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	515.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
53.20690	0.6
54.65930	0.6
55.01856	0.8
57.03410	1.7
59.62200	0.6
59.72163	0.7
60.23882	0.6
61.02878	1.0
65.03902	0.8
67.05473	3.5
69.03406	9.4
69.07041	11.4
71.04946	1.0
73.02885	0.9
74.09645	0.8
79.05451	1.0
81.03380	3.4
81.07030	1.3
83.04929	1.3
85.02876	13.3
91.05444	1.0
92.63161	0.8
93.07032	0.9
95.04945	1.6
96.08078	0.7
97.02859	11.8
97.06473	3.2
99.04429	1.3
106.06519	1.0
107.04853	0.7
107.08583	1.0
108.04459	1.0
109.02819	1.4
111.04424	1.4
114.52420	0.7
121.61518	0.8
123.04452	0.9
124.07522	5.5
127.03857	5.1
133.07570	1.5
135.04364	0.8
137.02295	4.4
137.05875	1.2
138.05472	13.4
145.02820	1.2
147.04352	3.9
149.07063	1.3
150.05441	12.2
152.06984	1.0
160.05164	1.0
161.07050	9.3
161.08250	2.3
162.09006	0.9
163.03838	3.9
165.06920	3.3
166.04980	6.3
167.10628	1.1
170.08353	1.2
176.03299	1.1
177.06946	1.5
178.04901	0.8
182.08176	3.3
183.09192	1.2
192.02840	4.1
193.06299	1.4
196.09828	1.4
197.10660	1.9
198.07755	11.8
200.10750	1.1
201.06422	0.9
203.03288	1.9
205.06421	3.0
209.10422	0.8
210.03839	5.8
210.07736	1.5
211.07373	1.1
211.12152	1.0
212.09390	5.3
213.06529	1.1
213.10152	13.8
215.11656	3.0
216.10182	1.6
218.11668	1.4
221.05894	26.0
223.07468	8.0
225.10065	6.7
226.07069	1.6
226.08919	1.1
226.10765	0.9
227.11708	12.6
228.10146	1.3
231.02782	3.0
233.05887	1.5
239.06972	3.8
241.09659	7.3
243.11356	6.3
245.12769	1.9
249.05360	20.9
251.06917	5.3
253.09685	6.8
255.11195	7.7
256.08508	1.2
257.09119	4.5
258.10107	1.0
259.07095	1.4
259.10654	1.6
261.12234	4.9
267.06430	5.3
268.08206	3.7
269.08902	5.0
271.10681	21.7
272.11633	0.9
273.12238	10.0
277.04779	8.6
279.06366	1.9
281.04193	1.3
281.09183	1.4
285.07419	1.9
287.10159	100.0
288.10602	1.2
289.11743	12.9
295.05899	45.1
299.10135	28.7
301.11667	4.9
305.04337	1.4
313.06827	1.8
317.11215	74.0
318.09909	0.9
323.05408	22.9
335.12247	39.9
338.13019	0.8
341.06534	8.9
448.58942	0.8
479.16257	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75562	0.4
55.01841	0.7
65.03899	0.9
67.05453	0.5
69.03393	0.5
81.03368	0.5
83.04950	3.0
85.02858	0.5
95.04890	0.6
100.19479	0.5
109.02836	0.9
111.04380	1.2
114.57200	0.4
131.04897	0.9
137.02319	0.8
139.03830	0.6
144.73260	0.6
153.06877	0.6
159.04373	0.6
160.05122	9.4
161.05931	0.9
163.03741	1.0
165.06941	2.9
167.08524	1.2
169.06390	0.6
177.06932	3.2
181.06386	7.5
187.03842	2.9
193.06424	2.3
195.04498	0.5
195.07957	3.5
197.05997	0.5
199.07570	0.7
205.06406	17.7
211.07500	0.8
221.05888	64.6
223.07457	34.5
223.09680	1.1
231.02679	1.7
233.05887	7.5
234.06664	3.3
239.06871	2.0
249.05356	38.0
250.06143	2.6
251.06944	36.2
266.05484	0.6
267.06406	6.4
269.07974	14.5
271.06021	1.0
277.04828	7.8
281.04291	1.0
285.07410	8.8
295.05890	100.0
296.06244	0.7
297.07352	0.8
313.06958	21.5
323.05490	5.2
341.06085	0.7
404.25443	0.7
416.22330	0.6
424.29385	0.6
515.11230	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1177
Annotation	(-)-Brainic acid
Peak:m/z	Relative Intensity
51.50430	0.4
54.80672	0.5
55.01865	0.7
56.96561	0.6
57.03424	0.4
60.98735	0.4
63.55665	0.4
65.03908	0.8
67.05471	0.6
69.03401	3.4
69.07034	2.3
71.33665	0.4
71.99956	0.4
81.03394	1.0
83.04938	1.1
85.02879	7.2
91.05424	0.6
92.09250	0.5
93.03373	0.6
95.04935	2.3
96.08002	0.5
97.02869	4.0
97.06506	0.9
98.97526	0.6
103.05433	0.5
106.04147	1.0
109.02896	0.5
111.04440	0.6
119.04868	0.7
121.06467	0.8
123.04389	2.2
124.07583	1.1
127.03873	2.0
127.07494	4.1
131.04843	0.5
133.02805	0.9
137.02303	0.7
138.05479	3.7
140.07021	0.6
141.06984	0.7
145.04927	0.6
145.10023	0.5
147.04442	0.8
149.05954	2.0
150.05429	4.3
155.08459	0.6
161.08340	0.8
163.03893	1.8
165.06944	14.0
166.04929	2.0
168.05580	0.5
169.06357	0.7
175.05222	0.5
177.05432	0.7
177.06885	1.1
182.08215	0.6
187.03842	1.1
190.12201	0.8
192.02823	2.0
193.06396	11.7
196.09889	0.6
197.05954	2.0
197.10698	0.7
198.07805	5.1
203.04881	1.1
205.06418	3.0
207.02658	0.6
209.07997	1.9
210.03900	1.0
210.08263	0.6
211.07469	6.1
212.09402	1.0
213.10155	8.8
218.11623	0.9
219.01849	0.6
220.17570	0.6
221.05910	47.7
223.07477	1.0
224.04460	0.6
225.05408	3.7
225.10126	3.0
226.07312	2.8
227.11632	4.0
233.05884	2.9
237.02763	0.9
239.06931	10.6
241.05891	0.5
241.09737	3.8
243.11229	2.5
249.05377	59.6
250.06007	1.1
251.06821	1.1
253.04907	0.6
253.09682	2.6
255.11118	2.3
256.08450	0.7
257.09155	0.7
259.03854	1.1
259.10510	1.6
261.12173	0.7
266.05765	0.9
267.06451	13.9
268.08206	0.7
269.09000	3.7
271.10681	7.3
273.12213	3.4
277.04846	29.0
278.05603	2.0
279.06387	8.1
287.10162	63.1
289.11795	4.2
294.05240	0.8
295.05911	63.8
299.10211	10.3
301.11743	0.8
305.04324	8.1
317.11206	32.6
323.05389	100.0
324.05756	0.9
335.12250	12.9
479.16266	0.8
515.21027	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	514.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80769	2.4
55.05494	16.3
57.07049	10.6
65.03941	2.2
66.78433	2.1
67.05483	26.5
69.07040	30.6
71.08611	2.4
79.05452	18.2
81.07025	63.7
83.08591	15.1
86.25532	2.0
91.05434	16.2
92.09328	9.5
93.07008	54.1
95.04924	2.1
95.08569	100.0
97.06505	3.1
97.10123	4.9
105.07000	44.7
107.08560	81.9
109.10128	49.8
111.08057	44.5
119.08537	71.2
121.10106	69.7
123.11678	24.1
131.08481	16.2
133.10088	71.4
135.11638	33.2
137.13223	5.1
139.11137	10.8
143.08574	4.3
145.10088	36.3
147.11650	40.4
149.13214	27.4
151.11086	3.3
157.10069	4.7
159.10468	3.8
159.11609	27.7
161.13210	33.7
163.14760	56.1
167.22649	2.4
171.11574	3.8
173.13199	24.5
175.14771	27.4
177.09064	3.6
177.16302	26.0
185.13110	4.4
187.14761	20.3
189.16327	65.0
191.17905	11.5
195.17418	2.5
199.14792	2.4
201.16318	54.8
203.17889	57.9
207.17386	12.9
213.16327	14.8
215.17892	37.0
217.19557	3.6
219.17366	9.2
221.18901	18.4
227.17670	2.6
229.19466	5.0
233.18768	3.0
235.16925	3.9
238.42674	2.1
241.19508	8.8
243.21042	10.8
247.16933	12.9
247.20360	2.4
249.18340	2.7
249.46936	2.4
253.19461	2.7
255.20972	10.1
261.18530	8.1
267.21033	3.0
277.45770	2.5
315.22891	3.2
391.33392	15.3
397.30740	3.4
409.34637	28.9
411.36206	4.9
425.34052	16.7
427.35379	10.6
437.33994	69.5
455.35092	26.6
473.35971	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	514.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.92176	0.2
56.96534	0.3
57.03413	0.2
57.92484	0.2
69.03381	0.3
72.39648	0.2
77.03892	0.2
82.74127	0.2
83.04939	0.8
85.02864	1.1
89.03918	0.4
91.05434	2.6
92.08756	0.2
93.07001	4.7
95.04911	0.9
97.02843	0.3
98.97543	1.4
102.12902	0.2
103.05428	2.7
105.04422	0.4
111.04395	0.9
116.98579	0.4
121.06460	100.0
122.06782	1.0
135.04344	1.1
137.05881	0.3
138.09091	16.7
139.03848	0.2
145.02844	0.7
147.04358	0.4
163.02550	0.3
163.03844	5.0
164.04190	0.4
177.00587	0.3
177.05611	0.3
203.03313	1.2
204.03793	1.5
237.02777	0.8
257.48505	0.3
261.03784	0.3
280.04877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71251	2.1
57.07050	18.0
71.08596	15.9
81.07043	3.6
85.02866	12.6
85.10147	6.4
89.05471	4.6
89.05999	100.0
97.02821	2.9
107.07050	6.0
133.08574	35.0
149.06004	3.6
195.12216	63.4
196.10173	2.5
295.05627	2.9
301.18768	2.9
316.06290	3.0
335.27820	49.7
341.09985	3.0
431.54092	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	514.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.81262	0.3
55.01871	0.4
55.05495	3.6
56.73808	0.2
57.03423	5.0
63.06273	0.2
65.68868	0.2
67.05480	2.0
69.03407	13.2
69.03773	0.6
71.04972	1.5
72.50092	0.3
73.02879	0.7
75.04121	0.4
75.04460	5.3
75.29885	0.3
79.05464	16.1
81.03390	11.5
81.07025	5.7
83.04954	1.5
85.02877	7.9
87.04453	0.7
91.05443	15.5
93.07012	100.0
95.04932	5.1
95.08570	2.3
97.02856	8.5
97.03439	0.6
97.06467	0.7
99.04427	2.1
103.05430	0.6
104.41385	0.3
105.04462	0.7
105.06999	9.5
106.07776	0.5
107.04918	0.6
107.08565	11.0
109.02841	4.8
109.06454	0.7
111.04401	1.4
111.08054	5.2
115.05484	0.3
116.06190	0.4
117.06986	1.2
119.08546	15.9
121.06499	2.8
121.10105	81.4
123.08007	2.1
123.11665	0.5
125.05932	1.1
127.03883	3.9
129.06973	1.2
131.08534	7.1
133.06439	0.3
133.07605	0.5
133.10103	0.6
137.05923	0.6
139.11111	2.7
145.04930	1.7
145.10054	0.3
147.04378	0.4
149.08394	0.6
149.09583	17.2
151.03882	1.3
165.09044	0.4
167.10625	13.8
169.10060	0.3
173.09554	0.4
175.11206	0.3
187.11227	0.4
189.05209	0.3
193.08585	0.3
204.07742	0.3
211.09639	0.5
213.07568	0.3
223.04181	0.4
229.12274	0.3
283.15353	0.7
293.13760	5.8
299.12671	0.7
311.14807	10.2
311.18182	0.5
329.15668	0.6
482.97675	0.3
512.45587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.5
53.03924	2.8
53.22618	0.4
55.01849	0.8
55.05505	4.8
57.03411	4.8
61.02896	0.7
63.75157	0.5
67.05473	3.4
69.03405	11.3
69.55849	0.5
71.04943	2.1
75.04462	6.4
79.05462	19.3
81.03393	11.7
81.07024	8.3
83.04940	0.9
84.06110	0.5
85.02863	7.4
91.05442	16.2
92.09353	1.1
93.07010	100.0
95.04929	4.5
95.08565	5.3
97.02853	8.1
97.06464	0.6
99.04417	2.3
105.07007	9.6
106.07820	0.6
107.04938	3.0
107.07886	0.9
107.08569	15.1
108.05254	0.6
109.02833	4.7
109.06490	1.0
111.04449	0.7
111.08051	6.8
118.66286	0.5
119.08537	10.8
121.06445	0.7
121.10101	89.8
123.08041	3.1
123.11684	2.0
125.05922	1.0
127.03860	4.2
129.06950	0.7
131.08522	6.9
133.06509	0.7
133.07521	1.1
133.10112	2.3
137.02261	0.6
139.11162	3.9
141.09004	0.5
142.07707	0.7
145.04941	0.7
145.10094	1.1
149.09564	11.8
157.10092	0.8
159.08060	0.6
159.11606	0.8
167.10614	17.7
185.13277	0.8
293.13724	3.1
311.14792	11.1
320.23309	0.6
329.15936	0.9
336.02438	0.7
431.44409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80410	0.3
55.01850	0.9
67.05468	1.0
69.07021	1.5
81.03382	2.7
81.07009	0.9
83.08582	0.6
91.05423	0.5
94.06505	0.6
95.04923	2.0
95.08560	0.9
105.07033	0.5
108.04435	6.5
115.25621	0.4
122.05981	2.3
138.05460	0.9
140.06996	5.6
146.05945	4.9
148.07497	1.8
150.05440	1.9
152.59372	0.4
166.04924	0.7
168.06503	7.7
172.03877	0.9
174.05444	4.4
176.07108	0.4
181.08746	0.5
190.87137	0.4
193.12173	1.9
196.11263	0.7
199.08533	0.5
204.06451	2.8
206.08046	3.6
210.16833	0.4
211.08543	9.4
211.12305	1.7
212.09300	3.5
213.10210	2.1
221.10718	2.2
222.09071	2.5
223.08574	1.7
223.12221	0.6
224.10867	4.3
225.06679	0.4
225.10159	10.4
226.10930	1.6
227.08199	0.9
227.11746	0.5
236.09286	0.5
237.09999	0.7
238.10815	0.5
239.08095	2.4
239.11691	18.3
240.08868	2.4
240.12445	0.8
241.09647	3.9
241.13197	0.7
242.10330	0.6
249.10204	1.8
250.08531	2.1
250.10869	0.5
251.08182	1.8
251.11688	1.6
252.08591	3.9
253.09590	12.5
254.10303	2.7
255.11166	0.7
256.11841	0.6
257.12814	0.7
265.09958	0.5
267.07983	0.9
267.11157	23.1
267.15811	1.4
268.11969	0.6
269.09885	0.3
269.12692	3.0
277.09653	0.7
278.07858	0.5
280.08249	0.6
281.08997	2.1
283.10751	1.6
285.12265	2.9
285.16937	0.6
295.10654	12.3
296.08960	0.5
297.12225	2.6
298.10312	0.5
299.10211	2.2
313.11691	70.7
314.12048	0.6
323.10016	4.8
324.10901	0.6
341.11169	26.2
342.11850	0.6
345.14392	0.7
355.12714	3.8
356.13779	0.6
359.12332	4.1
373.13785	100.0
374.14145	1.0
443.20096	0.4
464.18164	0.7
472.43237	0.4
482.19025	7.8
496.20377	2.8
514.21759	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	514.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.7
56.96500	0.5
58.63170	0.5
67.05476	2.5
69.03373	0.6
69.07039	6.0
79.05439	2.2
81.02948	0.8
81.03387	16.0
81.07024	3.5
83.04939	1.0
83.08572	3.2
83.10148	0.5
85.02846	1.1
85.06477	0.8
86.03239	0.5
91.05437	2.2
93.07005	2.2
95.04921	5.7
95.08551	0.7
97.02882	0.8
97.06470	0.8
103.05436	0.7
105.06987	2.4
105.66813	0.5
105.95782	0.5
107.04911	0.6
107.08523	0.7
108.04455	4.2
109.02824	0.8
109.06465	1.2
111.08038	2.2
119.08508	1.2
121.06435	0.7
122.05943	0.8
127.07523	0.7
129.06946	1.0
131.04890	2.1
131.08492	0.8
138.05449	1.2
140.07002	12.3
146.05966	3.4
147.11588	0.7
148.07582	1.2
149.09593	1.0
157.10016	0.9
157.31888	0.6
166.04953	1.2
168.06470	5.3
172.03937	0.7
174.05420	2.4
175.11160	2.1
178.52692	0.6
182.38710	0.6
193.12175	7.4
204.06516	1.2
206.08092	2.2
211.08633	8.5
212.09351	2.5
213.10178	0.8
221.10626	0.8
222.09074	1.2
223.08533	0.6
223.12260	1.2
224.10646	2.8
225.10135	8.1
226.10873	0.8
239.08008	0.6
239.11696	13.4
240.08949	0.7
240.12407	0.6
241.09584	2.7
241.13280	0.9
249.10069	1.2
250.08537	1.2
251.07977	1.9
252.08919	2.8
253.09586	10.6
254.10648	0.6
255.11269	0.7
267.08527	0.7
267.11179	20.1
267.15558	4.6
268.09561	0.7
268.12112	0.8
269.12869	2.3
277.09631	0.9
281.09366	0.5
284.11502	1.1
285.12195	2.2
285.16888	9.5
295.10623	9.1
297.12134	0.8
298.10330	0.6
313.11707	57.5
314.12097	0.7
323.09930	1.0
341.11215	6.8
355.12720	2.7
373.13800	100.0
374.14236	1.3
482.19028	4.0
514.20880	1.0
537.15668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.0
55.05479	0.7
61.24318	0.5
64.33009	0.7
67.05483	0.6
69.03388	0.7
69.07040	0.9
79.05454	1.0
79.08018	0.6
81.03385	3.4
81.07030	2.3
83.08587	0.7
94.06528	0.8
95.04924	3.0
95.08558	1.1
108.04457	8.1
122.05985	1.4
138.05463	2.4
140.06975	4.0
146.05981	5.9
148.07579	2.6
150.05490	1.3
153.72972	0.6
155.01772	0.6
166.04926	1.3
168.06516	9.5
172.03848	1.1
174.05418	4.0
193.12167	2.5
196.11226	0.6
204.06497	2.5
206.08072	3.5
211.08606	13.1
211.12132	1.0
212.09383	3.3
213.10165	1.2
221.10669	2.3
222.09097	3.9
223.08644	2.8
223.12180	0.7
224.10609	3.0
225.10146	12.7
226.10925	1.2
237.09927	0.8
238.10800	0.7
239.08125	0.9
239.11705	17.4
240.08838	2.8
240.12404	1.0
241.09657	3.9
241.13313	1.1
249.10080	2.6
250.08456	2.7
250.10942	1.0
251.08157	1.4
252.08971	3.2
253.09610	13.2
254.10382	0.8
265.09702	0.7
267.07953	0.8
267.11203	26.5
267.15768	2.4
268.12024	1.1
269.12723	2.2
279.11172	0.7
281.09134	2.2
283.10809	0.9
284.11240	0.8
285.12262	3.4
285.16812	2.6
295.10739	10.3
297.12222	3.5
312.20938	0.6
313.11722	69.4
323.06778	0.7
323.10092	4.9
341.11172	27.8
355.12781	5.0
359.12308	4.2
373.13818	100.0
374.14224	1.1
482.18961	6.6
496.20578	3.8
514.21747	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	514.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63816	0.4
51.79784	0.4
55.01844	1.1
63.66858	0.5
64.90405	0.5
67.05467	0.8
69.07032	2.0
81.03374	4.6
81.07010	0.8
83.04958	0.7
83.08576	0.6
93.06982	0.7
94.06509	0.6
95.04940	1.2
95.08514	0.6
96.39221	0.5
105.38094	0.5
105.74908	0.5
108.04436	6.4
122.05987	2.2
129.07033	0.5
138.05469	0.8
140.07005	3.4
146.05975	4.3
148.07538	1.2
150.05420	0.6
166.04947	2.0
168.06438	7.6
174.05463	3.1
193.12189	2.3
199.08548	0.7
204.06480	2.0
206.08093	3.4
211.08617	12.1
211.12189	1.1
212.09348	2.7
213.10236	1.8
221.10645	1.0
222.09097	2.5
222.11183	0.6
223.08492	0.9
223.11993	0.6
224.07076	0.5
224.10822	3.7
225.10129	10.2
226.08893	0.7
226.11046	2.0
227.08096	0.8
227.11725	0.5
238.10753	0.6
239.07964	0.8
239.11697	15.4
240.08842	2.4
240.12442	2.0
241.09731	3.6
241.13216	1.2
242.10274	0.5
249.10135	1.9
250.08534	3.2
250.10870	0.9
251.08047	3.4
252.08937	3.2
253.09593	8.6
254.10400	1.1
255.11166	0.9
257.12756	0.8
267.08038	1.5
267.11166	23.0
267.15652	0.8
268.11978	0.8
269.08997	0.5
269.12692	2.7
281.09119	1.2
283.10654	1.0
284.11505	0.8
285.12103	1.2
285.16827	2.6
295.10638	10.2
297.12189	1.1
299.10196	0.6
313.11716	58.4
323.10107	2.7
341.11191	16.9
341.15137	1.0
355.12732	3.3
359.11975	3.5
373.13791	100.0
374.14050	0.8
397.20914	0.5
482.19083	3.6
496.20950	1.0
514.21350	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	514.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28770	1.4
51.63338	1.6
53.03901	2.2
55.01836	2.1
55.05494	2.6
57.03411	3.9
57.10916	1.7
67.05473	8.0
69.03384	13.0
69.07043	30.5
70.06562	4.2
75.04410	2.7
79.05463	17.5
81.03375	10.3
81.07011	12.1
84.98119	1.7
85.02867	11.9
86.09661	2.2
91.05432	13.0
91.39989	1.8
93.07001	72.3
94.06570	2.0
95.04922	9.5
95.08555	4.3
97.02830	9.1
97.33620	1.7
97.86298	2.2
98.97565	3.2
99.04424	2.0
103.05431	4.1
105.06982	7.2
105.09673	1.9
107.08550	9.1
108.08088	3.5
109.02845	3.0
109.06486	13.2
111.04432	1.8
111.08037	4.2
119.08536	16.0
121.06425	2.1
121.10097	58.2
123.11588	2.0
127.03817	4.7
131.04875	13.1
131.08531	4.6
135.04353	7.5
137.05904	7.8
137.67242	2.4
140.07019	42.2
149.09581	16.2
154.08582	3.3
163.07494	2.5
167.10623	8.2
177.05385	2.7
192.10054	2.4
199.08553	3.9
211.08495	13.7
212.09363	2.7
213.10147	11.2
225.10144	17.2
226.07104	2.6
226.10985	3.4
227.08087	10.5
227.11618	3.1
239.11786	13.7
240.08672	2.5
241.09573	11.1
242.10361	3.4
243.11034	2.8
252.08983	2.3
253.09612	14.0
254.10445	9.7
255.11296	14.2
267.11215	22.1
268.11884	4.2
269.09058	2.6
269.12686	4.5
281.09265	2.5
283.10559	13.7
285.12122	8.9
293.13635	3.0
295.10727	14.3
297.12204	8.0
299.10074	4.4
301.11679	8.1
311.14780	9.9
313.11710	100.0
314.12241	3.2
315.13107	4.4
315.97363	2.0
324.11124	2.2
329.11093	4.1
341.11145	26.0
342.11758	8.2
343.12769	2.2
345.13986	3.4
356.13696	2.4
373.13834	25.0
391.16159	2.2
409.17581	2.7
436.18298	4.8
437.16699	4.1
438.19983	3.7
440.17807	3.7
454.19632	28.8
464.18005	4.1
482.19067	75.7
496.20328	17.5
514.21582	78.8
514.28748	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	513.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62950	2.9
54.80415	3.2
55.05486	20.7
56.15566	2.7
57.03411	18.1
61.02896	7.8
62.30691	3.2
64.46239	3.3
64.65374	2.9
67.05482	50.3
67.92447	3.8
69.07032	23.3
71.04977	4.6
73.02886	3.8
79.05459	48.8
81.07024	100.0
83.04949	5.6
83.08584	3.9
84.61006	3.0
85.02883	4.3
85.06488	6.3
89.58676	3.9
91.05450	56.5
93.07005	66.5
95.04912	5.1
95.08574	38.2
97.02880	5.2
97.06451	6.4
97.94446	3.4
99.52291	4.2
103.65961	3.6
105.07000	71.4
106.74851	3.3
107.08572	45.4
109.06452	4.8
109.10121	8.9
117.05172	3.5
117.06989	14.6
119.08553	62.8
121.10101	37.4
121.54139	3.5
123.11666	29.2
128.01703	3.6
129.06970	5.5
131.08543	19.5
133.10123	37.2
135.11650	16.5
143.08559	6.1
144.76062	3.9
145.10065	19.3
147.11652	62.1
149.13206	5.2
157.10049	7.6
159.11661	7.2
161.13216	8.0
165.12761	13.2
171.11618	7.5
173.13228	7.3
175.14722	4.1
185.13226	8.1
193.22743	3.9
241.19353	14.2
259.20459	38.0
267.15851	23.1
285.16782	32.2
351.25262	43.2
357.23785	4.4
477.28159	5.9
495.29068	7.9
513.32037	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	512.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	16.6
57.07059	18.2
59.04989	2.1
67.05478	15.8
69.07036	18.4
70.06561	1.9
70.87431	1.6
71.08595	2.2
72.91305	1.5
79.05453	13.5
81.07022	38.3
83.08589	16.9
85.06501	1.7
88.07586	1.7
91.05431	11.5
92.08668	1.6
93.07011	26.7
95.08574	66.4
97.06461	1.6
97.10123	3.4
99.08037	13.4
102.09146	2.3
105.07004	36.6
107.08559	70.2
109.06477	3.3
109.10130	38.7
109.19965	1.6
113.09628	2.0
117.06985	2.9
117.12958	1.6
119.08534	72.5
121.10104	70.7
121.10977	1.7
123.11653	28.3
123.21626	1.6
125.09563	2.3
131.08519	34.7
133.10085	53.8
135.11638	33.4
136.41162	1.9
137.09619	2.0
137.13232	20.5
143.08516	25.2
145.10089	50.9
147.11646	47.8
149.13214	37.2
151.14792	8.3
155.08444	2.6
157.10094	27.8
159.11633	32.2
161.13193	27.2
162.47359	1.7
163.07391	2.8
163.14760	34.4
165.12700	2.0
169.10023	7.4
171.11621	19.1
173.13174	28.9
175.14752	34.9
177.12704	2.0
177.16298	13.4
181.10025	2.3
183.11555	13.3
185.13187	64.1
187.14754	43.4
189.16318	15.0
191.17792	3.8
193.15749	3.0
197.13202	12.0
199.14749	30.7
201.16313	36.0
203.14238	58.3
203.17915	14.2
207.17419	3.1
209.13112	2.8
211.14774	10.8
213.16273	15.3
215.17851	9.8
219.13670	2.6
219.47290	1.7
223.14777	3.1
225.16316	7.8
227.17851	10.6
229.19489	2.3
233.15257	3.8
237.16341	3.5
239.17831	3.5
245.15324	7.9
247.16948	4.2
249.14708	36.9
251.17989	2.9
253.19397	3.6
256.26239	9.3
259.16730	7.1
273.18417	2.9
279.20969	6.6
283.26221	2.8
295.24023	1.8
307.24255	2.2
337.25101	3.0
349.28690	6.7
367.29861	3.9
389.31940	3.6
395.29355	15.5
407.32947	39.5
413.30090	2.1
425.33850	11.4
435.32373	23.9
453.27136	1.8
453.33447	49.7
471.34512	100.0
512.49939	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	512.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55259	2.5
55.05482	16.7
57.07046	3.5
67.05472	16.5
69.07040	6.0
79.05445	12.5
81.07028	41.9
83.04951	100.0
83.08564	3.6
87.78912	2.3
88.05845	2.4
91.05441	16.7
91.57940	2.3
93.07012	39.1
95.04926	16.1
95.08567	60.8
102.47444	2.3
105.07001	41.1
105.19164	2.3
107.08555	65.6
109.10141	30.4
111.07996	2.4
117.06960	5.8
119.07714	5.0
119.08530	71.9
121.10095	30.6
123.08035	12.7
123.11652	16.2
125.09592	5.0
129.06999	3.4
131.08531	21.3
133.10083	47.5
135.11652	31.5
142.01320	2.8
143.08516	6.0
145.10085	41.1
147.11649	31.7
149.13214	19.8
153.09024	2.6
157.10069	10.3
159.11629	51.4
161.13203	48.2
163.14748	17.0
171.11617	6.0
173.13191	22.1
175.14738	19.5
177.16359	10.8
187.14757	28.4
189.16306	54.7
191.17841	4.0
199.14774	11.8
201.16342	37.9
203.17889	15.6
213.16307	13.8
215.17883	19.4
217.15813	19.0
219.17340	3.9
239.18004	3.1
241.19295	3.9
247.16820	3.1
259.16870	9.8
261.18369	3.4
357.63467	2.7
362.62317	3.3
371.29276	5.9
389.31870	6.1
395.29224	9.8
407.33157	22.5
409.34174	2.9
435.32404	6.1
453.33478	88.7
468.35312	10.0
511.33853	10.3
512.34143	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	512.372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80990	1.0
55.05494	11.3
57.07056	1.4
67.05479	12.2
68.43003	1.1
69.07045	10.6
79.05468	9.8
81.07025	39.2
83.04952	100.0
83.08597	5.5
91.05432	12.7
92.62785	1.4
93.07003	33.6
95.04942	11.7
95.08570	50.8
97.06473	1.6
97.10165	2.3
105.07005	37.6
107.08556	58.1
109.06480	5.4
109.10123	28.6
111.08052	2.4
117.06980	6.5
119.08534	56.2
121.10110	28.8
123.07999	9.6
123.11666	12.5
125.09624	10.5
131.08531	18.3
133.10072	38.9
135.08017	1.9
135.11633	18.2
137.09613	1.8
137.13058	1.4
143.08508	5.5
145.10065	32.0
145.11125	2.2
147.11661	24.2
149.13200	13.5
153.09068	1.9
157.10085	8.9
159.11635	39.6
161.09607	1.5
161.13219	33.9
163.14792	9.7
165.78362	1.3
170.69418	1.2
171.11661	5.0
173.13214	16.9
175.11122	1.3
175.14760	19.0
177.16284	10.6
179.10600	1.5
182.42297	1.1
184.12433	1.4
185.13252	1.4
187.14804	18.2
189.16328	39.2
191.17848	6.7
197.13240	1.5
199.14764	10.0
201.14543	2.6
201.16324	49.7
203.17851	9.5
205.15884	6.1
213.16272	10.0
215.17892	16.9
217.15810	10.2
219.17346	10.3
225.16402	2.1
227.17859	3.0
229.19377	3.1
231.17313	1.7
235.16884	5.6
239.17662	1.4
241.19392	4.7
243.21036	1.8
247.16821	5.6
253.19359	1.6
255.20961	1.7
261.18457	5.6
267.20844	1.3
325.28748	2.2
349.28900	6.7
357.27679	6.8
371.29279	6.4
389.31976	5.3
395.29227	8.8
407.32980	18.8
435.32422	9.0
453.33456	80.1
468.34509	1.7
511.33481	7.4
512.34045	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	512.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55259	2.5
55.05482	16.7
57.07046	3.5
67.05472	16.5
69.07040	6.0
79.05445	12.5
81.07028	41.9
83.04951	100.0
83.08564	3.6
87.78912	2.3
88.05845	2.4
91.05441	16.7
91.57940	2.3
93.07012	39.1
95.04926	16.1
95.08567	60.8
102.47444	2.3
105.07001	41.1
105.19164	2.3
107.08555	65.6
109.10141	30.4
111.07996	2.4
117.06960	5.8
119.07714	5.0
119.08530	71.9
121.10095	30.6
123.08035	12.7
123.11652	16.2
125.09592	5.0
129.06999	3.4
131.08531	21.3
133.10083	47.5
135.11652	31.5
142.01320	2.8
143.08516	6.0
145.10085	41.1
147.11649	31.7
149.13214	19.8
153.09024	2.6
157.10069	10.3
159.11629	51.4
161.13203	48.2
163.14748	17.0
171.11617	6.0
173.13191	22.1
175.14738	19.5
177.16359	10.8
187.14757	28.4
189.16306	54.7
191.17841	4.0
199.14774	11.8
201.16342	37.9
203.17889	15.6
213.16307	13.8
215.17883	19.4
217.15813	19.0
219.17340	3.9
239.18004	3.1
241.19295	3.9
247.16820	3.1
259.16870	9.8
261.18369	3.4
357.63467	2.7
362.62317	3.3
371.29276	5.9
389.31870	6.1
395.29224	9.8
407.33157	22.5
409.34174	2.9
435.32404	6.1
453.33478	88.7
468.35312	10.0
511.33853	10.3
512.34143	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	512.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
53.69620	0.4
55.01848	0.7
55.05500	4.6
57.03417	3.3
57.07067	0.5
61.02908	5.1
67.05474	3.6
69.03410	9.8
69.07041	4.7
71.04964	3.6
73.02876	2.0
78.92014	0.5
79.05460	11.8
81.03383	5.0
81.07031	6.3
83.04952	3.0
83.08582	0.9
85.02873	39.1
87.04436	2.2
88.12592	0.6
91.03911	1.2
91.05439	15.1
92.09361	0.6
93.07005	75.7
95.04939	4.3
95.08560	18.6
97.02854	10.8
97.06474	2.9
99.04439	2.0
99.14451	0.6
105.04461	0.6
105.07009	6.1
107.08557	100.0
108.08895	0.5
109.02833	3.5
109.06472	3.7
109.10113	4.0
111.08012	0.5
114.02036	0.5
115.03906	2.2
116.16499	0.6
119.06039	0.9
119.08559	1.1
121.10078	0.8
123.11632	0.6
124.91145	0.5
127.03868	7.3
131.08519	0.7
133.04933	1.1
135.04372	0.6
135.11642	55.1
137.13194	0.7
145.04924	10.0
153.12692	13.5
159.11659	0.7
163.03833	1.2
163.05928	3.7
164.43349	0.5
165.12689	0.7
249.43510	0.5
263.90518	0.5
279.15775	0.7
288.93933	0.5
314.35953	0.5
465.22021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.5
53.03923	1.1
55.01845	2.5
55.05487	3.1
57.03418	4.7
57.07061	0.6
59.04972	3.3
61.02904	7.9
67.05472	1.1
69.03403	17.9
69.07053	4.4
71.01299	0.8
71.04567	1.1
71.04961	31.4
73.02878	3.9
73.06523	7.8
79.05460	5.5
81.03380	7.0
81.06543	1.2
81.07021	33.7
85.02872	100.0
85.06503	0.6
87.04435	1.4
88.30703	0.6
91.03927	4.3
91.05442	1.3
93.07005	19.2
95.08566	4.0
97.02850	21.6
97.06494	3.0
99.04395	4.7
99.53838	0.6
103.03884	0.6
103.71530	0.5
105.06999	0.6
107.08559	15.7
109.02834	8.6
109.10130	2.8
119.08548	0.7
123.39649	0.6
127.02979	1.1
127.03865	19.6
133.01471	0.5
135.11644	31.2
145.04912	26.5
153.12692	95.1
163.05952	14.1
180.45316	0.6
271.08289	0.6
298.27505	0.6
325.11160	6.4
420.11316	0.6
424.69226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
53.69620	0.4
55.01848	0.7
55.05500	4.6
57.03417	3.3
57.07067	0.5
61.02908	5.1
67.05474	3.6
69.03410	9.8
69.07041	4.7
71.04964	3.6
73.02876	2.0
78.92014	0.5
79.05460	11.8
81.03383	5.0
81.07031	6.3
83.04952	3.0
83.08582	0.9
85.02873	39.1
87.04436	2.2
88.12592	0.6
91.03911	1.2
91.05439	15.1
92.09361	0.6
93.07005	75.7
95.04939	4.3
95.08560	18.6
97.02854	10.8
97.06474	2.9
99.04439	2.0
99.14451	0.6
105.04461	0.6
105.07009	6.1
107.08557	100.0
108.08895	0.5
109.02833	3.5
109.06472	3.7
109.10113	4.0
111.08012	0.5
114.02036	0.5
115.03906	2.2
116.16499	0.6
119.06039	0.9
119.08559	1.1
121.10078	0.8
123.11632	0.6
124.91145	0.5
127.03868	7.3
131.08519	0.7
133.04933	1.1
135.04372	0.6
135.11642	55.1
137.13194	0.7
145.04924	10.0
153.12692	13.5
159.11659	0.7
163.03833	1.2
163.05928	3.7
164.43349	0.5
165.12689	0.7
249.43510	0.5
263.90518	0.5
279.15775	0.7
288.93933	0.5
314.35953	0.5
465.22021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.4
53.03922	7.2
55.01841	3.8
55.05492	11.0
57.03416	6.4
57.07054	1.5
65.44027	1.3
65.79575	1.2
67.05484	16.5
69.03401	22.5
69.07036	8.1
71.01343	1.7
71.04958	3.2
75.04462	2.3
77.14970	1.3
79.05465	22.1
81.03382	28.4
81.07027	47.3
83.04967	2.3
85.02874	14.9
85.06451	1.3
91.05439	22.8
92.33546	1.4
93.07005	100.0
95.04941	12.2
95.07947	1.9
95.08561	46.0
97.02860	23.9
97.06504	6.1
99.04409	7.5
105.06997	30.2
107.04888	2.1
107.08553	43.7
107.09225	2.6
109.02829	6.4
109.06481	7.8
109.10110	16.6
111.04408	8.0
111.08025	2.6
113.05962	2.4
117.06940	1.9
119.04900	6.7
119.08531	19.6
121.06442	9.5
121.10097	74.4
123.04381	5.6
123.08003	3.3
123.11653	28.9
125.05896	1.8
127.03880	3.4
128.06194	1.8
129.06956	2.4
131.08504	16.4
133.10078	9.0
135.04323	3.1
135.08006	7.3
135.11624	10.9
137.05927	7.9
137.09532	1.9
139.11101	1.9
142.07718	2.0
143.08495	3.2
145.04877	1.8
145.06468	2.3
145.10071	8.5
147.04356	19.9
147.11639	9.6
148.05138	1.7
149.05928	1.6
149.09581	27.6
151.07474	1.6
151.11127	18.1
153.12697	2.6
159.08009	2.7
159.11665	5.5
161.05920	2.2
161.09566	10.2
163.11076	14.6
165.12619	1.8
167.06999	17.5
167.10611	8.1
169.12224	8.6
173.09523	2.5
175.11082	2.5
177.12727	3.6
179.07001	2.9
179.10512	2.3
181.12146	9.3
187.11169	2.1
189.09158	1.8
191.10742	1.8
215.09128	9.6
217.12247	2.4
229.12117	2.8
241.12032	2.4
247.13110	6.7
259.13217	9.5
277.14249	18.2
293.13660	3.4
295.15277	29.0
311.14807	10.3
313.16351	12.4
430.25247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.6
53.03918	1.1
54.80722	0.6
55.01850	1.3
55.05484	0.8
57.03410	2.3
65.03900	0.7
67.05466	1.1
67.78502	0.6
69.03392	3.1
71.04979	0.7
73.02888	1.2
73.52034	0.5
75.04449	0.9
78.04659	0.7
79.05461	5.9
81.07009	3.8
83.04942	0.8
85.02873	12.6
91.05444	17.8
92.09277	0.7
93.03351	3.1
93.07002	12.7
95.04925	4.8
95.08531	1.2
97.02832	2.7
97.06501	0.9
99.04417	0.9
103.05425	15.7
105.06992	8.9
106.04146	7.9
107.04224	1.1
107.04926	31.1
107.05646	1.3
107.08553	9.8
109.06488	0.7
109.10027	0.6
110.19810	0.5
115.05385	3.7
117.06958	2.4
118.04081	0.7
119.04874	5.6
120.05701	0.9
121.06458	16.4
121.10113	2.5
123.04364	2.7
123.07995	0.7
124.05156	1.0
125.05926	2.8
127.03882	1.2
128.06123	0.9
129.06940	7.8
131.04890	15.2
131.08495	3.8
132.05617	4.5
133.02809	0.9
133.04927	0.8
133.06425	4.6
134.03542	2.7
135.04305	1.1
135.08011	7.8
135.11665	5.0
137.05949	6.7
140.04611	0.6
144.05643	1.1
145.04892	2.5
145.06438	2.6
146.03587	0.8
146.07228	4.1
147.04379	2.2
147.08047	0.9
148.04059	0.9
148.05122	8.8
149.05923	15.9
149.09529	2.5
151.03831	0.7
151.07495	5.1
152.04651	0.8
153.05397	0.9
153.09032	2.7
153.12665	0.8
157.06389	2.8
158.07114	0.6
159.04347	0.8
159.07991	1.1
160.05138	3.1
161.05923	100.0
161.09546	27.2
162.01306	0.7
163.06129	1.4
163.07483	27.2
165.05447	4.8
165.06801	0.6
165.09079	0.9
166.06091	0.8
167.06975	34.2
174.06706	4.4
175.07489	6.7
177.05417	12.5
177.08945	2.7
179.05495	0.8
179.06992	4.1
180.07758	9.2
181.08528	15.0
189.09042	51.2
190.00800	0.7
191.06964	12.8
192.07788	8.2
193.08521	1.0
195.08052	0.7
207.10098	51.5
209.07999	15.2
219.10089	2.4
223.04218	6.5
223.07497	1.2
251.10536	0.8
253.08430	0.6
257.11688	1.2
285.11072	2.6
315.12094	1.4
317.13684	3.1
325.10870	0.8
327.12247	0.7
329.13486	1.1
331.15295	0.8
341.13644	2.9
343.15311	6.3
355.15237	0.7
361.16312	20.9
373.16248	3.8
392.47531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39846	0.4
53.03920	1.0
53.97451	0.4
55.01845	2.0
56.91238	0.4
57.03394	0.4
60.29969	0.4
60.37701	0.3
62.63839	0.3
67.05474	1.0
69.03391	0.8
69.07037	0.5
75.04446	0.9
78.04675	1.0
78.47774	0.4
79.05462	6.5
81.03403	0.8
81.07012	2.3
85.02862	7.4
87.87413	0.4
89.03864	0.4
91.03997	0.4
91.05441	16.2
93.03349	2.5
93.06995	6.8
95.04928	4.2
95.08572	0.7
95.65950	0.5
97.02879	0.9
97.06480	1.6
103.05428	15.3
104.06205	0.6
105.03368	0.5
105.06986	8.4
106.04130	8.9
107.04919	26.5
107.08569	3.8
109.02829	0.5
109.06507	0.7
109.11337	0.4
115.05408	3.0
116.06173	0.6
117.03332	0.4
117.06982	0.9
118.04102	1.6
119.04885	4.8
119.08504	0.5
120.05656	0.8
121.06450	12.9
121.10094	0.6
123.04379	2.3
124.05132	1.6
125.05949	2.2
127.03848	0.8
128.06155	0.7
129.06944	6.7
131.04878	13.8
131.08505	2.4
132.05635	6.4
133.02798	0.6
133.06444	4.5
133.10127	0.5
134.03548	1.9
135.04366	1.5
135.08006	7.9
135.11650	3.0
136.05148	0.8
137.05910	6.2
141.06853	0.5
144.05592	0.8
145.04897	0.7
145.06429	1.9
145.07520	0.5
146.03644	1.0
146.07191	4.2
147.07950	0.6
148.05168	5.6
149.05923	15.9
149.09563	0.5
151.07507	5.2
151.41190	0.4
152.04604	0.7
153.05383	1.8
153.09030	2.5
153.12711	1.8
157.06427	2.7
159.04405	0.9
159.08035	1.4
160.05154	2.7
161.05916	100.0
161.09540	27.1
162.01315	0.9
163.03804	0.9
163.06064	0.9
163.07474	23.9
165.05414	4.2
165.06799	0.7
165.09012	0.9
166.06203	1.0
167.06969	32.0
173.05919	0.6
174.06725	4.2
175.07477	7.1
176.04631	0.7
177.05377	9.9
177.09023	1.0
179.06961	2.4
180.07753	7.7
181.08517	15.1
182.09296	0.5
188.71094	0.5
189.09029	53.2
190.00745	0.5
191.06940	12.8
192.07736	7.0
193.08479	0.7
195.07950	0.8
197.09602	0.6
204.27596	0.4
207.10089	48.9
209.08018	12.2
219.10078	3.0
221.05881	0.6
222.06700	0.5
223.04169	5.9
223.07469	0.5
225.09032	1.8
235.07515	0.5
241.08595	0.8
251.06837	0.6
253.08557	0.8
255.10033	0.8
257.11652	0.7
270.08749	0.6
271.05554	0.5
271.13293	0.5
279.09943	0.4
283.09631	0.8
283.12988	0.7
285.11115	2.7
297.11304	0.8
299.09039	0.6
309.10916	0.5
311.12643	0.7
314.11270	0.8
315.12134	2.5
317.13675	3.1
329.13696	1.7
331.15060	0.6
341.13675	4.3
343.15323	4.8
355.15536	0.6
361.16309	14.3
373.16354	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	511.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
67.05447	0.8
76.23540	0.8
81.07016	1.2
83.04967	1.8
93.06998	1.4
95.08536	1.3
105.07017	1.8
107.08535	1.3
119.08530	1.2
121.10169	1.2
133.10031	1.1
161.13297	1.0
163.19791	0.9
173.13269	0.9
189.16440	1.0
215.17859	1.0
322.89319	0.9
384.52957	1.0
467.34839	16.0
511.33878	100.0
512.34027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46154	1.1
67.05499	1.7
69.07027	1.8
74.11114	1.1
76.30402	1.1
79.05468	1.5
81.07026	4.6
93.07057	1.3
95.08602	5.4
101.47832	1.0
105.06995	1.2
107.08585	5.3
108.08906	1.4
109.10129	2.5
111.08044	1.3
113.95538	1.2
119.08575	5.7
121.10155	4.4
123.11657	1.2
131.08507	1.2
133.10089	1.6
134.10468	1.3
135.11681	1.4
145.10098	2.7
157.10133	1.9
159.11662	1.1
173.13303	1.3
176.92363	1.1
185.13271	1.7
262.45123	1.1
360.22693	1.4
467.35040	1.5
470.33362	2.2
501.33105	1.2
511.33932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07037	0.9
83.04984	1.1
83.08614	4.9
84.08940	1.2
92.09383	1.5
93.07040	1.3
95.08599	1.8
102.95255	0.9
102.97020	0.9
104.37636	1.0
105.06987	1.9
107.08560	1.7
109.10873	1.0
119.08543	1.9
121.10126	1.0
133.10118	1.9
145.42839	0.8
453.33881	1.3
511.33899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93057	2.6
61.42339	2.4
72.37594	2.8
79.87410	2.6
95.08552	4.3
107.08595	3.8
109.82241	3.2
133.10059	2.7
139.69284	2.8
144.52931	3.9
149.02328	11.5
151.50900	3.1
178.41493	3.0
193.04919	15.8
237.07494	6.5
238.07866	3.2
250.87102	3.5
396.30161	3.6
462.93509	3.9
510.33459	5.0
510.70865	3.8
511.27451	5.0
511.33969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89992	1.0
55.01851	1.7
55.05482	4.3
61.02903	2.2
65.03903	4.9
67.05476	9.0
69.03389	4.2
69.07021	1.0
70.06574	1.1
83.04952	21.4
85.02868	5.0
86.09663	5.2
91.05426	1.3
93.03372	4.1
97.02885	1.1
103.05430	2.2
111.04397	8.1
113.03733	1.0
119.04858	1.7
121.06422	1.5
131.04932	1.4
132.39966	1.3
135.04366	1.5
147.04372	16.0
149.38631	1.0
155.04807	1.2
155.11726	5.3
156.12077	1.5
157.02760	1.9
159.04355	6.4
163.03816	7.7
173.05984	1.4
174.41724	1.0
175.03801	8.1
177.05411	11.8
187.03900	4.2
189.05415	3.8
191.03371	1.9
201.05405	5.8
203.03320	21.0
203.97960	1.0
205.04907	33.6
217.04895	10.6
220.91440	1.2
220.93674	1.3
224.33353	1.2
229.04854	19.3
231.02789	100.0
231.06393	2.5
233.04361	78.1
243.02751	2.3
245.04373	13.9
247.02295	2.2
255.02853	2.4
257.04303	7.9
259.02255	61.0
261.03857	4.7
271.02209	11.3
273.03741	4.7
275.05356	9.7
277.03336	5.1
291.04840	5.7
293.06491	13.8
301.03363	22.8
304.75159	1.2
319.04382	81.6
337.05676	1.5
348.16876	4.5
365.19910	1.1
375.72836	1.2
397.65417	1.4
405.07727	1.4
451.08444	10.3
493.09799	1.7
511.03323	1.7
511.10638	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23992	7.6
57.07041	41.0
58.49271	7.8
59.35345	8.3
60.81095	8.7
65.30342	9.1
67.19181	9.0
69.98032	8.6
71.08598	21.9
89.06000	100.0
102.94947	10.6
133.08559	24.7
177.11102	15.5
195.72752	11.6
228.64880	11.3
283.17426	19.4
398.52594	12.8
493.40579	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	510.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	5.0
57.07035	0.7
59.46252	0.7
67.05482	42.7
69.07047	6.0
79.05450	3.9
81.07030	16.1
83.04951	0.8
83.08590	2.9
85.06501	1.0
88.94421	0.8
91.05418	3.8
93.07011	8.6
95.08572	12.0
95.92644	0.8
98.31242	0.7
105.07011	8.9
107.08566	14.8
109.10123	100.0
111.11710	1.3
117.06968	0.9
119.08548	10.8
121.10086	8.0
123.11672	3.4
129.29022	0.7
131.08487	4.4
133.10085	7.6
135.11639	9.9
137.13214	1.3
143.08469	1.6
145.10059	5.8
145.75320	0.8
147.11623	7.1
149.02242	6.4
149.13237	2.0
157.10074	1.1
159.11641	4.3
161.13174	5.7
163.14728	5.0
171.11568	1.6
173.13206	5.1
175.14720	3.5
177.16328	1.8
185.13203	1.8
187.14709	3.7
189.16283	4.8
191.14188	0.9
193.04916	5.6
199.14687	1.3
201.16335	1.0
207.17329	3.4
213.16252	1.3
215.17917	3.0
218.16240	0.8
227.17934	1.4
236.33928	0.9
237.07518	5.0
243.21025	1.0
297.25668	1.1
300.28793	1.2
311.27200	1.7
329.28223	4.3
341.28384	1.4
359.29538	1.5
377.30493	1.0
405.35043	1.4
423.36185	6.1
441.37155	8.5
466.85587	0.9
510.33725	9.0
511.33795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80927	2.3
55.05494	8.4
57.03417	8.1
57.06786	3.3
57.07057	76.5
61.02903	8.2
67.05469	20.8
69.07033	10.7
71.08598	50.6
71.08976	2.4
75.04446	1.8
79.05465	3.1
81.07026	27.7
83.08575	18.3
85.02853	7.1
85.10154	28.6
92.09344	2.2
95.08569	40.2
97.10127	9.2
99.11672	1.8
103.07478	2.1
109.10114	19.6
119.71314	1.6
123.11666	3.9
137.13203	2.7
140.20172	1.8
190.96690	1.8
236.02850	1.9
239.23579	24.6
257.24576	7.9
313.27255	100.0
331.28299	22.9
495.64224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3542
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05484	1.9
56.05005	0.5
57.03427	0.4
57.07059	8.4
58.06572	0.7
60.08142	20.7
67.05486	0.8
68.55307	0.4
69.07033	1.1
71.07335	8.0
71.08604	4.2
73.11724	0.4
73.65437	0.4
79.90881	0.4
81.07026	1.8
83.08585	0.9
85.10150	2.3
86.09676	74.3
95.08564	2.8
97.10152	0.6
98.98420	4.7
104.10706	100.0
109.10116	1.1
124.99955	45.2
125.46747	0.5
143.00960	0.6
163.01526	1.1
177.33517	0.5
184.07275	99.6
217.01288	0.5
221.99564	0.4
228.66391	0.5
239.23718	0.7
243.55191	0.5
302.44162	0.6
313.27219	3.6
327.28955	2.1
492.34213	8.0
510.27777	1.1
510.35385	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	510.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
54.81286	1.4
55.01851	7.2
55.05493	14.4
56.24008	1.2
57.03408	8.7
57.07050	3.3
59.04982	1.2
67.05483	30.2
69.03405	21.8
69.07049	14.0
70.25563	1.2
71.01317	1.6
71.04963	12.1
71.08576	1.4
73.02879	3.6
79.05463	20.6
81.03397	25.2
81.06548	3.1
81.07026	88.2
82.07374	1.6
83.04945	6.4
83.08587	6.5
85.02880	21.5
85.06501	3.4
87.04440	3.1
91.05445	21.4
93.07005	51.0
94.63148	1.3
95.04942	19.1
95.08572	100.0
97.02866	27.6
97.06498	12.8
97.10135	2.7
99.04417	12.0
99.08069	3.1
103.03843	1.6
103.05428	1.9
105.06992	27.2
106.07323	1.7
107.04933	7.8
107.08561	47.6
107.26099	1.7
109.02836	3.2
109.06473	11.4
109.10121	37.1
111.04413	6.6
111.08042	3.1
113.02377	1.6
113.05988	6.2
115.03918	2.2
117.06993	1.9
117.09125	15.2
117.21850	1.7
119.04890	8.3
119.08545	18.8
121.06469	9.9
121.10097	17.0
123.04361	7.7
123.08025	7.5
123.11666	73.1
125.06010	1.9
125.09531	1.8
127.03894	11.0
127.07505	1.8
129.06975	3.4
131.04895	3.0
131.08514	10.5
133.06512	2.3
133.10072	25.4
134.99773	1.6
135.04362	1.7
135.08017	6.4
135.11656	15.5
137.05959	20.3
137.09650	1.6
137.13187	1.9
139.03868	2.7
139.11125	1.7
141.07005	2.1
142.07742	2.5
143.08554	6.8
145.04860	2.9
145.06531	1.9
145.10123	13.6
147.07990	2.0
147.11676	16.7
147.63831	1.6
149.05963	6.0
149.09584	6.6
149.13202	2.8
151.07487	5.7
151.11150	34.3
153.05386	1.6
153.12730	3.6
157.10071	7.4
159.07977	3.3
159.11647	9.2
161.05959	6.8
161.09563	6.8
161.13283	2.0
163.03851	5.1
163.07425	2.5
163.09746	2.6
163.11128	18.6
165.12685	3.3
167.06985	3.0
169.12177	28.1
171.08046	1.9
171.11639	2.8
173.08080	2.8
173.09496	2.2
175.11145	8.4
177.12759	3.0
179.07031	3.3
179.10587	2.1
181.12202	7.6
181.15776	2.0
187.11118	2.8
189.09167	2.0
189.12706	2.3
191.10661	2.4
193.12146	5.7
197.07991	2.7
203.10663	1.7
203.14203	1.7
205.12154	1.8
213.12865	1.9
215.09119	12.5
217.12248	3.0
229.12160	2.2
231.13628	2.4
235.13225	2.1
241.12343	2.1
247.13222	5.9
259.13193	8.4
277.14209	21.6
295.15286	31.5
310.54745	1.7
313.16415	23.7
423.21475	1.9
439.23273	13.5
504.90152	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.9
54.81144	1.9
55.01854	3.8
55.05488	9.5
56.70360	1.9
57.03422	62.4
57.11443	2.1
58.86776	1.9
59.04974	2.6
61.02901	20.0
65.65870	2.1
67.05471	15.1
69.03404	68.9
69.07051	18.4
69.30730	1.8
69.72174	2.0
71.01305	3.8
71.04959	18.8
73.02499	3.7
73.02887	89.1
79.05465	34.1
80.55019	2.4
81.03382	12.6
81.06548	3.4
81.07024	97.5
83.08572	12.4
84.30008	2.4
85.02877	90.2
85.06513	82.6
87.04432	3.7
88.55768	2.3
88.64944	2.3
91.03912	2.8
91.05442	12.3
93.07009	68.3
95.04928	5.4
95.08574	67.2
97.02859	87.9
97.06489	9.7
99.04431	5.9
103.05431	2.9
105.06996	15.3
107.08555	67.7
109.02834	5.7
109.06495	2.5
109.10102	9.6
110.95059	2.8
111.08029	12.9
115.03897	38.6
119.04898	2.6
119.08561	9.7
121.06447	3.1
121.10100	65.6
123.08003	4.3
123.11665	5.8
123.16489	2.4
123.98046	2.7
126.78551	2.4
127.03874	12.4
131.08504	4.6
133.04926	11.3
133.10048	8.9
135.11644	17.5
137.05971	4.0
137.13219	4.0
144.11368	2.7
145.04892	13.9
145.10054	3.6
147.04312	2.8
147.08028	4.2
149.09615	3.7
161.13219	2.9
163.05992	3.3
163.14763	100.0
174.49754	2.7
177.09035	2.5
181.12155	5.3
181.15811	74.5
223.05847	3.2
234.78926	2.6
261.72488	2.9
301.14084	4.1
511.15448	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	510.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.5
53.03925	3.2
53.75846	0.5
54.60940	0.4
54.80753	0.5
54.80999	0.5
55.01857	0.8
55.05492	5.5
57.03425	5.9
57.07060	1.4
63.78834	0.5
66.32809	0.8
67.05472	3.5
69.03400	8.9
69.07034	4.3
71.04973	0.7
73.02878	1.3
75.04463	7.1
79.05467	22.5
81.03394	9.7
81.07028	14.6
82.07378	0.7
83.04972	1.0
83.08588	2.6
85.02882	8.6
91.05450	15.2
93.07010	100.0
95.04926	6.3
95.08563	9.7
96.08910	0.6
96.35938	0.5
97.02860	7.8
97.06498	1.2
99.04453	0.9
103.73376	0.6
105.04467	0.7
105.07001	10.1
107.08569	16.0
109.00848	0.6
109.02829	3.2
109.06447	0.6
109.10114	2.7
111.04413	1.2
111.08063	7.8
111.11642	0.6
117.06989	1.1
119.08545	13.7
121.06487	2.0
121.10107	78.9
123.08043	2.9
123.11659	3.2
125.05926	0.8
127.03883	3.4
129.06963	0.7
131.08536	7.2
133.06447	0.6
133.07506	0.8
133.10123	0.7
135.11627	1.0
137.05865	0.6
137.13199	0.8
138.13570	0.7
139.11172	3.7
145.04904	0.8
145.06454	1.1
145.10100	0.9
149.09576	8.7
149.13174	1.0
157.10123	0.8
159.11646	1.3
163.11238	0.6
167.10619	17.7
177.09027	2.3
283.15271	0.9
293.13770	3.3
311.14725	7.7
329.15869	3.0
450.20041	0.7
466.25049	2.0
509.23193	4.5
509.29639	1.5
510.23755	11.4
510.30505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09410	0.6
50.98988	0.7
51.22525	0.6
53.00278	0.7
53.03918	3.6
54.81258	0.7
55.01853	4.6
55.05486	1.9
55.12253	0.7
57.03431	6.3
57.07057	1.3
59.04987	13.2
61.02900	9.8
63.12333	1.0
65.70299	0.9
67.05477	8.4
68.78709	0.9
69.03405	22.9
69.07037	3.8
71.04969	16.9
73.02887	4.1
79.05456	11.0
80.57538	0.7
81.03384	10.6
81.07028	38.4
83.04990	1.3
85.02878	100.0
87.04437	1.2
91.03918	2.0
91.05444	6.0
93.07014	17.3
95.04932	5.1
95.08575	6.5
97.02856	26.5
97.06496	2.1
99.04399	6.9
105.07008	7.6
107.04922	1.8
107.08562	17.6
109.02854	10.1
109.06493	11.9
109.09409	1.2
109.10130	24.4
111.08070	8.6
111.08701	1.0
115.03844	1.0
117.06939	1.1
119.08556	1.7
121.10072	1.8
123.07977	1.4
123.11661	32.0
127.03880	22.3
127.11171	1.4
129.06915	1.0
131.08534	4.5
133.10092	17.3
145.04922	19.8
147.07967	1.1
147.11716	1.1
151.11139	58.3
151.12369	2.0
152.07045	1.0
153.12677	3.5
157.06447	1.0
157.59917	0.8
159.08003	1.3
161.05931	1.6
161.09549	1.5
163.03946	1.3
163.06024	6.4
163.07237	1.0
169.12169	17.0
174.06749	1.1
189.09044	6.4
209.15431	1.4
219.10126	12.9
259.09613	3.6
295.15332	1.9
313.16498	6.8
325.11148	6.0
331.17395	15.3
401.50934	0.9
525.14502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16451	1.1
52.31678	1.0
53.00283	1.5
53.03915	2.6
55.01844	5.2
55.05487	2.1
55.65325	1.4
56.98985	1.2
57.03414	8.5
57.07037	2.2
58.99554	11.3
59.04974	15.9
60.04494	11.8
61.02895	9.3
67.05472	10.7
69.03403	55.3
69.07033	2.5
71.04965	17.4
73.02881	2.4
74.69397	1.1
79.05457	15.1
79.23569	1.4
80.24961	1.3
81.03385	10.9
81.07024	53.4
83.04942	2.2
85.02874	100.0
85.06525	1.7
86.99017	29.0
87.04431	10.0
91.03931	2.2
91.05446	8.4
93.07000	33.5
95.04920	6.1
95.08564	7.8
97.02853	37.9
97.06519	1.4
99.02644	2.1
99.04414	6.1
103.03913	1.5
105.00054	58.0
105.06979	8.5
107.04922	1.6
107.08560	17.7
109.02869	11.1
109.06479	11.8
109.10126	31.8
111.08042	6.7
117.03679	3.0
119.08533	5.8
121.06465	1.8
121.10101	27.1
123.08028	2.8
123.11656	72.5
127.03876	21.5
131.08540	2.7
133.10066	17.8
135.08000	2.2
135.11609	1.7
136.07555	1.5
145.03114	2.8
145.04918	23.0
149.02600	3.3
149.09567	8.8
151.11137	71.9
153.12660	1.9
163.04153	17.3
163.05962	3.2
167.10622	26.0
169.12180	23.0
191.03624	17.4
191.14240	8.1
209.15279	2.9
295.15369	2.5
303.04849	13.9
304.68283	1.5
305.62244	1.6
313.14590	8.2
325.11020	5.1
330.26315	1.9
331.17169	12.1
348.27386	3.0
510.32156	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.4
55.01852	1.7
55.05494	32.8
57.03421	2.5
57.07048	1.2
59.04967	3.0
61.02908	1.0
64.32674	0.8
67.05480	5.0
69.03408	11.8
69.07038	7.3
71.04951	3.8
73.02875	1.0
79.05466	6.0
81.03385	5.4
81.07020	14.8
83.04949	22.7
83.08591	25.6
85.02876	21.9
85.06502	5.2
87.00808	11.3
91.05459	5.4
93.07000	14.3
95.04929	22.7
95.08572	8.5
97.02824	6.9
97.06487	8.8
97.10115	5.6
99.04413	7.1
99.08047	1.3
104.82204	0.6
105.01820	6.4
105.06989	8.7
107.08551	27.5
109.02832	6.2
109.06487	14.5
109.10114	21.1
111.08014	6.4
113.09604	1.2
117.06982	1.0
119.08546	7.0
121.06431	1.0
121.10099	38.2
123.08026	3.7
123.11670	8.0
125.09580	8.5
127.03863	11.8
131.08498	6.2
133.10089	25.5
135.08003	5.7
135.11644	3.5
137.05882	1.0
139.11159	1.1
145.04893	3.6
145.10077	3.2
147.04469	0.8
147.11664	8.5
149.09528	0.7
149.13185	8.6
151.11131	26.7
153.09058	8.5
155.11760	1.5
158.10916	1.6
159.02841	1.1
159.37617	0.7
163.14754	7.7
167.14256	38.5
171.10132	1.0
173.13182	11.1
175.14763	4.7
191.14236	14.7
209.15302	100.0
227.16356	9.7
231.04997	0.8
249.05785	1.2
297.08609	0.9
401.45639	0.7
403.17303	0.8
421.18790	1.2
439.19339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03926	2.0
55.01854	1.0
55.05494	2.2
57.03420	5.5
59.04978	0.4
61.02905	0.3
65.03922	0.3
67.05485	2.0
69.03403	14.9
69.07034	0.3
71.04955	1.3
73.02889	1.1
74.46854	0.2
75.04450	4.7
79.05461	16.7
81.03383	13.9
81.07024	6.0
83.04964	1.2
85.02881	7.1
85.25306	0.2
87.04427	0.5
91.05444	14.6
93.07008	100.0
94.07340	0.3
95.04932	4.3
95.08563	3.0
97.02847	8.3
97.06517	0.3
99.04412	2.2
103.05428	1.1
105.04489	0.6
105.06999	10.2
106.07793	0.3
107.04920	2.1
107.08561	13.3
107.09286	0.4
109.02840	4.5
109.06525	0.3
109.10149	0.3
111.04414	1.3
111.08057	4.7
116.06184	1.1
117.06982	1.4
119.04936	2.7
119.08533	19.9
121.06497	2.1
121.10098	86.3
123.04380	0.3
123.08022	2.6
123.11705	0.4
125.05943	1.2
127.03867	3.7
129.05429	0.5
129.06944	1.1
131.04932	0.4
131.08524	8.1
133.06429	2.0
133.07491	0.6
133.10054	0.6
139.11159	2.0
145.04929	1.4
145.06374	0.3
145.10088	0.6
147.04356	7.6
147.08078	0.3
149.09572	21.8
159.11629	0.3
163.11090	0.3
167.10625	15.1
169.10001	0.3
175.11232	0.3
176.65776	0.3
221.39091	0.3
266.92734	0.3
268.14233	0.3
275.12537	0.4
283.15219	1.1
293.13770	5.5
295.13199	0.3
311.14792	14.1
313.14276	0.4
322.12582	0.3
457.17984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45993	0.1
53.03922	0.2
56.96534	0.1
58.58083	0.1
62.15561	0.1
69.03390	0.1
77.03899	0.1
77.94534	0.1
85.02869	0.4
91.05446	2.1
92.08649	0.1
93.07005	4.3
94.07345	0.1
95.04946	1.0
95.13579	0.1
97.02869	0.2
98.97556	0.1
103.05432	2.7
105.04480	0.1
106.57703	0.1
116.98579	0.2
121.06463	100.0
122.06789	3.9
123.04390	0.4
123.07011	0.4
135.04337	0.2
138.09100	15.7
139.09442	0.8
145.02806	0.3
147.04353	0.1
158.99550	0.1
163.03850	1.4
172.95265	0.1
219.01715	0.1
227.65170	0.1
340.12051	0.1
392.02747	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	510.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01858	4.6
55.05472	0.7
57.03402	2.7
61.02900	2.8
64.00829	0.4
64.35546	0.4
65.03899	2.5
67.05472	2.4
68.99763	2.3
69.03403	11.0
69.07027	0.8
71.04958	2.7
73.02890	3.6
78.91620	0.5
79.05436	0.7
81.03382	11.9
81.07023	4.4
83.01295	0.5
83.04945	2.1
83.08624	0.7
85.02876	24.2
87.00793	14.3
91.05444	100.0
92.08716	0.6
93.03360	0.8
93.07009	1.2
95.08564	1.1
97.02853	17.6
99.04423	4.8
105.01820	6.1
105.06983	2.8
107.04920	0.6
107.08557	0.7
109.02848	7.0
117.01828	2.0
117.03333	2.3
119.04915	0.9
119.08536	2.0
121.10083	2.1
123.11658	0.8
127.03879	10.1
129.01813	1.1
133.02808	2.2
133.06390	0.9
135.11658	1.0
137.02266	0.5
137.05927	2.0
142.18738	0.5
145.02826	5.6
145.04935	4.2
146.03162	0.8
147.11642	0.6
147.24126	0.6
149.02362	0.9
149.05975	1.1
151.07466	0.8
159.02827	4.5
167.03355	6.4
167.06999	1.0
175.03909	0.5
175.07626	0.5
177.05434	8.2
178.05797	2.1
179.03374	2.0
180.06302	1.0
189.05453	1.2
191.03349	2.1
203.03296	1.1
215.03372	0.7
220.71428	0.5
225.55058	0.5
231.05168	0.7
233.04373	0.9
239.07053	0.7
245.04344	4.0
251.06886	2.7
257.04385	0.5
263.05380	0.8
265.08502	0.6
269.07971	6.6
287.09229	0.6
289.08264	0.6
293.07935	3.5
311.08972	3.9
317.07996	0.8
335.08923	10.1
353.09979	4.3
439.10291	2.5
457.11078	2.2
510.22632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01849	2.4
55.05495	26.2
57.03402	3.9
57.07058	22.5
59.04981	1.6
61.02901	2.3
65.07384	1.2
67.05476	29.7
67.61121	1.3
69.03390	3.6
69.07043	61.6
71.04975	2.5
71.08622	12.0
75.96260	1.3
79.05463	19.8
81.03388	3.0
81.07027	100.0
83.04953	7.7
83.08589	37.1
85.02855	18.2
85.06520	10.4
91.05451	14.6
93.07006	43.9
95.04955	3.6
95.08567	88.3
97.02852	3.7
97.06490	6.6
97.10140	23.5
99.08080	8.7
100.11243	2.3
100.53305	1.5
105.06997	13.7
107.04925	2.0
107.08556	43.2
109.06475	2.7
109.10120	44.6
111.04405	1.8
111.08056	7.6
111.11681	12.9
113.09584	1.9
117.06989	1.7
117.95404	1.4
119.08528	12.6
121.10100	27.8
123.11668	36.0
125.09583	6.7
125.13219	2.7
127.03891	2.3
131.08501	7.2
133.10051	6.7
135.08047	2.3
135.11647	21.6
137.05914	2.2
137.09576	2.4
137.13197	15.2
145.06639	1.8
145.10106	10.4
147.07942	1.8
147.11671	3.5
149.09547	3.4
149.13211	28.5
151.11145	3.5
151.14780	3.7
155.14278	1.7
157.10034	2.8
159.07965	1.8
159.11673	3.3
161.09525	1.9
163.07407	1.7
163.11136	3.2
163.14745	10.3
165.16438	2.5
167.14249	3.8
168.13780	2.4
169.09987	2.1
170.15318	6.8
173.09506	2.1
173.13245	1.9
175.11154	2.0
179.18030	2.2
187.14876	2.3
189.12779	2.6
191.17758	2.1
193.19566	2.1
197.11612	5.8
198.14734	2.0
205.19510	2.2
209.11568	2.7
263.27307	2.2
275.27258	12.5
281.28229	3.9
283.15186	1.9
293.28253	40.7
311.29291	10.6
329.30511	2.4
347.18140	1.7
347.21872	12.4
509.28400	3.4
509.40558	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.01849	1.6
55.05495	24.3
57.06826	1.1
57.07059	18.7
58.37102	0.9
67.05152	1.7
67.05481	31.9
69.03408	2.3
69.07042	83.3
71.04945	2.0
71.08607	9.7
79.05460	15.3
81.03385	2.1
81.07027	100.0
83.04954	1.4
83.08589	43.6
85.02879	15.8
85.06516	10.2
85.10136	1.6
91.05430	5.6
93.07005	35.4
95.04931	1.5
95.08570	99.9
97.02856	1.8
97.06503	4.3
97.10128	25.7
99.08044	9.1
105.06988	4.8
107.04897	1.1
107.08561	36.5
109.02850	1.3
109.06561	1.5
109.10120	69.4
111.08050	5.4
111.11690	18.8
113.09580	1.7
119.08549	1.6
121.10123	16.4
123.04477	1.0
123.10796	2.1
123.11666	43.3
125.09580	1.9
125.13246	11.0
127.03811	3.1
131.08508	1.5
133.10112	1.6
135.11642	12.4
137.05940	1.3
137.13210	21.1
139.11192	1.2
139.64716	0.9
141.12730	1.4
144.13321	1.0
145.04951	1.2
145.10080	1.2
147.04291	1.4
149.13208	34.9
149.37932	0.9
151.14763	8.9
153.12726	2.1
159.08066	0.9
159.79395	1.2
163.14717	7.7
165.16330	4.7
167.14221	9.4
174.06691	1.8
177.16318	1.5
179.17891	4.2
183.17345	1.7
189.09070	1.5
193.19466	4.0
201.09119	1.5
211.37959	1.1
219.10132	5.6
219.21039	1.8
249.25690	4.3
270.55518	1.0
275.27240	13.9
293.28296	37.5
311.29327	14.9
340.50748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39161	1.0
54.80888	0.9
55.05496	1.4
64.92381	0.8
67.05482	1.6
67.27386	0.9
69.07049	2.2
73.26756	0.9
78.30407	0.8
79.05450	1.6
81.07028	4.8
92.08646	2.2
93.07006	1.7
95.08572	4.3
107.08612	1.1
109.10121	2.1
111.08121	1.1
119.08509	1.6
123.08042	0.9
128.06247	0.9
225.18263	1.1
256.54932	1.0
390.33530	1.0
465.33203	2.1
509.32227	100.0
510.32443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27858	0.7
53.03930	1.5
54.80706	1.3
55.01832	1.0
55.05497	23.6
57.03411	2.1
57.07055	22.4
58.58265	0.8
62.20448	0.9
67.05485	29.9
69.03416	1.3
69.07040	66.2
71.04967	1.6
71.08609	8.5
71.40130	0.8
74.34270	0.8
79.05458	11.6
80.18762	1.1
81.07024	100.0
83.08590	38.8
85.02876	11.3
85.06500	8.0
85.10136	4.2
91.05445	1.9
92.09317	1.2
93.07008	26.3
95.08569	86.0
96.08865	1.2
97.02796	0.9
97.06525	1.9
97.10129	25.7
99.08046	5.4
105.06990	4.5
106.98847	1.1
107.08562	40.3
109.10119	61.7
111.08044	7.9
111.11691	14.6
113.09617	2.0
116.12244	1.0
119.08556	1.2
121.10091	16.0
123.11659	39.0
125.12360	1.1
125.13226	5.4
127.11113	0.9
135.11627	11.4
137.13203	14.3
139.11174	1.2
139.14792	1.0
141.12683	1.3
149.13210	34.1
151.14766	7.0
153.12701	1.6
155.87445	1.1
161.73167	1.0
163.14780	7.5
165.16351	5.5
167.14267	7.3
177.16345	4.6
179.17918	4.6
191.17894	3.9
193.19476	4.5
205.19490	2.0
249.25697	1.9
260.26746	1.2
275.27194	13.3
281.28412	2.2
293.28296	34.0
311.29251	6.9
329.30234	4.7
469.09140	1.0
509.23160	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.271
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
50.07800	1.0
55.05484	5.8
63.65969	1.1
67.39111	1.0
72.08125	1.6
79.05483	1.2
83.08590	9.3
93.07011	2.1
95.08543	2.1
105.06984	1.8
107.08555	1.5
109.10120	2.2
111.51843	1.1
119.08503	2.5
120.08029	1.7
121.10098	2.7
128.29727	1.2
131.08511	1.1
147.11702	1.3
173.13120	1.5
240.83214	1.2
269.34125	1.2
282.40457	1.1
344.89471	1.2
509.26871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3019
Annotation	Aburatubolactam C
Peak:m/z	Relative Intensity
51.54670	2.4
54.81133	2.5
55.30175	2.4
55.82471	2.3
59.54135	2.2
62.86932	2.1
62.88922	2.5
64.32583	2.7
67.05489	5.9
72.83127	2.5
74.18568	2.5
79.05444	3.3
81.07002	6.4
81.88423	2.5
93.07001	6.9
95.08573	6.6
103.83506	3.1
105.06947	3.9
107.08545	5.0
121.10112	3.3
134.10538	2.8
282.66437	3.3
320.93027	3.1
355.52121	2.9
509.30063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51926	1.5
54.80560	1.7
61.33648	1.8
66.28306	2.2
67.05482	3.1
81.07003	4.7
92.08649	2.4
93.07001	2.7
95.08559	3.9
106.32602	1.9
107.08558	3.2
114.93241	2.2
116.93262	2.0
118.60636	2.0
121.10107	2.3
131.08444	2.4
133.10045	3.1
145.10147	3.4
157.09966	2.4
159.11673	2.7
509.32242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39656	0.8
52.19677	0.7
54.60179	0.6
55.01852	1.8
55.05496	7.9
55.09078	0.7
55.86575	0.7
57.03414	1.9
57.07066	6.9
59.04988	1.6
67.05486	8.8
67.41593	0.6
69.03406	4.0
69.07047	16.3
71.04971	1.7
71.08612	4.2
73.02887	1.7
79.05468	9.3
81.03408	2.6
81.07029	31.3
83.04946	1.0
83.08586	8.7
85.02869	6.6
85.06538	1.8
85.10164	1.2
91.05467	5.7
93.07022	18.4
95.04899	0.9
95.08580	23.3
97.02841	0.9
97.10140	4.3
99.08067	3.7
101.76213	0.7
105.07019	3.7
107.08561	12.7
109.10139	13.9
110.10502	0.8
111.08068	4.6
111.11678	5.3
113.06021	0.9
117.06960	1.5
119.01920	0.7
119.08570	6.1
121.06486	0.8
121.10088	10.7
123.11687	8.2
131.08562	1.0
133.10098	4.4
135.11595	6.6
137.13246	5.6
145.10118	1.7
149.13243	10.9
155.14287	1.5
159.11662	1.0
165.16409	0.9
177.16325	1.0
203.05307	1.5
205.19446	4.3
223.20531	4.2
245.06221	6.5
261.18442	1.2
275.26938	0.9
283.15488	1.9
283.48434	0.8
289.05386	6.0
293.28180	5.8
294.24237	0.8
311.29391	1.1
344.90021	0.9
423.23352	8.4
425.99753	0.9
445.79443	0.8
465.24466	25.5
491.26248	1.3
508.29626	6.8
509.23444	100.0
509.30194	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	508.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.4
53.91079	0.3
55.05494	23.8
57.07051	0.8
67.05481	5.1
69.07042	2.9
74.85392	0.4
79.05472	3.0
81.07032	6.6
83.08588	100.0
85.06489	3.2
91.05439	2.6
92.08719	0.7
93.07001	11.2
95.08567	13.1
97.10123	1.6
99.02823	0.3
105.05136	0.4
105.06993	6.5
107.08554	14.8
109.10120	13.9
109.10870	0.5
111.08053	0.4
117.07005	0.9
119.08527	9.4
121.10101	16.6
123.07983	2.6
123.11650	3.9
131.08531	2.7
133.10057	7.2
135.08011	0.7
135.11644	13.2
137.13170	0.6
143.08493	0.7
145.10094	4.6
147.11646	7.4
148.96429	0.3
149.13202	6.8
151.07516	0.7
151.11201	0.5
157.10085	1.6
159.11635	5.5
161.09526	0.6
161.13200	7.7
163.07507	0.5
163.11095	0.7
163.14774	5.4
165.12749	0.4
169.10081	0.6
171.11627	2.5
173.13171	4.2
175.11143	1.5
175.14716	3.4
177.16304	0.8
179.14233	0.7
183.11702	0.6
185.13196	2.1
187.11023	0.5
187.14734	4.4
189.12680	1.4
189.16267	4.1
191.14323	0.8
191.17883	2.4
193.12158	0.9
197.13187	0.6
199.14760	2.9
199.40257	0.5
201.16316	4.1
203.17915	5.3
205.15854	0.8
207.13821	0.7
211.14792	0.4
213.16418	2.7
215.17946	1.4
217.15872	0.9
225.16501	0.5
227.17923	0.9
229.19443	0.5
231.17216	0.5
233.15240	0.4
239.17834	0.7
241.15814	0.6
243.17406	0.5
259.16928	1.7
283.24084	5.6
301.25186	0.6
309.25610	4.5
311.23758	1.4
327.26691	7.6
329.24557	4.2
345.27682	5.0
355.26126	3.2
373.27206	16.7
391.28342	13.6
391.33453	0.6
408.31204	2.9
409.34393	0.5
437.33975	2.3
455.35245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
53.69908	1.7
54.08368	1.8
55.01851	2.9
55.05492	26.6
57.03420	55.2
57.07045	13.2
61.02912	19.0
67.05482	36.4
69.03405	64.8
69.07045	35.5
69.93479	2.1
71.01328	5.4
71.04968	11.1
73.02888	89.2
79.05459	14.7
81.03384	15.1
81.07024	100.0
83.04957	23.4
83.08588	23.8
85.02876	96.4
85.06522	16.9
87.00832	4.4
87.04418	4.2
91.05458	17.7
92.09330	2.8
93.07014	38.3
95.04926	9.9
95.08569	85.8
97.02857	76.0
97.06502	2.8
97.10138	12.6
99.04427	5.9
99.08070	49.6
105.01876	3.6
105.06993	38.2
107.08572	38.7
109.02834	15.0
109.06492	5.3
109.09430	3.4
109.10120	99.3
111.08060	3.8
113.09643	2.7
115.03889	40.3
115.92075	2.8
117.06992	4.1
119.08532	42.5
120.45727	2.3
121.06495	5.5
121.10125	30.0
123.08031	2.8
123.11657	65.0
127.03844	23.3
127.07505	10.3
129.06961	4.8
131.08510	20.4
133.04973	3.1
133.10089	35.0
133.83064	2.4
135.08051	5.5
135.11638	24.7
137.09564	2.8
137.13205	12.0
143.08513	13.0
145.04918	11.7
145.10074	32.0
146.45418	2.9
147.11578	21.9
149.09613	2.8
149.13228	4.9
157.10046	15.5
159.11630	23.5
161.09645	5.4
161.13220	16.1
163.05975	4.3
163.11162	3.7
169.10114	3.8
171.07771	2.5
171.11639	12.4
173.13228	12.0
175.11171	5.3
175.14754	10.3
177.08926	2.7
177.16306	2.8
179.17868	24.7
183.11668	4.6
185.13190	16.8
187.14763	13.9
189.12726	4.8
189.16356	4.1
191.14185	3.4
191.17883	4.3
195.11864	2.9
197.13255	5.9
197.18929	14.7
199.14801	11.7
201.12598	2.5
202.73462	2.7
203.14224	16.6
205.15869	3.9
209.18967	3.2
211.14696	4.0
217.15733	3.5
221.15324	3.0
233.15289	5.0
323.22256	3.3
323.64807	2.4
328.23151	3.1
359.24152	4.9
415.43961	2.8
419.29074	2.5
437.30243	10.1
449.29959	4.9
455.31461	54.8
473.32446	15.1
507.29230	36.4
508.29495	96.0
508.36093	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	508.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81809	0.9
53.00285	1.8
53.03898	1.4
54.81439	1.2
55.01850	1.9
55.97903	1.1
55.98154	1.0
57.03418	29.8
57.22217	0.9
59.04971	5.3
60.04504	2.4
61.02902	1.9
62.73487	1.0
67.84528	0.9
68.10314	1.0
69.03403	85.6
69.25870	0.9
71.04936	2.0
73.02874	7.8
75.04447	5.3
75.36234	1.1
81.03383	4.9
83.04973	1.4
85.02874	74.9
87.04435	52.0
91.03918	2.4
91.05466	4.2
97.02856	57.9
99.04394	1.4
107.04952	1.6
108.97297	1.1
109.02850	2.1
110.56882	1.1
115.03884	59.1
119.04905	7.5
127.03858	11.2
127.95557	1.1
133.03973	2.3
133.04922	39.5
137.05933	100.0
145.04916	11.0
145.79805	1.3
147.04370	30.6
150.07565	7.6
151.03815	1.3
151.07491	16.8
161.05931	5.0
163.06004	1.3
175.07475	4.4
177.05403	2.2
179.06969	34.2
191.06818	1.5
193.04965	1.4
197.08022	11.5
203.06943	8.1
215.06944	2.3
221.07959	8.5
233.07991	2.2
239.09033	6.4
259.08078	2.6
263.09061	2.5
271.06131	2.2
275.09137	4.2
277.08936	1.8
293.10184	9.7
309.09418	1.7
514.86786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80376	4.7
71.08590	6.6
92.09447	14.0
109.97170	6.8
118.01849	6.8
138.97824	6.4
332.79800	6.7
507.36322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.1
53.03919	0.2
56.96535	0.2
61.75908	0.1
63.98042	0.1
82.83887	0.1
83.04975	0.1
85.02848	0.2
86.09662	0.1
91.05437	1.9
93.06421	0.2
93.07005	5.0
95.04936	0.7
97.02869	0.2
98.78390	0.1
98.97547	0.5
103.05431	2.6
105.04440	0.2
112.00949	0.1
116.98599	0.2
121.06460	100.0
122.06789	0.6
124.64919	0.1
135.04385	0.4
136.06148	0.5
138.09094	16.0
143.27504	0.1
145.02838	0.2
159.67789	0.1
163.03842	1.9
172.95178	0.1
177.00735	0.1
219.01665	0.1
237.02657	0.2
274.06964	0.2
309.09067	0.1
429.48691	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	507.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96559	0.8
55.01839	1.2
55.05494	16.5
57.07058	12.6
59.04966	5.4
60.77665	0.8
65.03895	1.2
67.05482	26.4
69.03402	1.1
69.06680	2.1
69.07040	47.6
71.04967	15.4
71.08593	4.0
73.06517	1.2
79.05455	8.4
81.07024	67.3
83.08588	32.3
85.02885	1.7
85.06501	5.0
89.05978	7.1
91.05431	5.6
93.07011	35.5
95.04944	2.0
95.08571	100.0
97.06483	4.6
97.10136	8.0
99.08022	1.5
102.76951	0.9
105.07014	11.7
107.08561	33.9
109.09410	1.6
109.10122	37.2
109.94490	0.8
111.08051	26.1
111.11676	7.7
119.08530	9.6
119.66199	0.9
121.10099	20.1
123.08003	1.1
123.11655	24.7
125.09541	4.1
125.13232	1.6
133.10054	6.4
135.11636	12.2
137.13214	9.3
144.98277	1.1
147.11607	7.5
149.13203	19.4
151.11093	1.7
151.14778	2.4
153.12691	1.1
161.13194	5.9
163.14732	7.4
165.16318	3.6
167.14250	1.5
175.14745	2.0
177.16293	4.6
181.59183	1.1
189.16327	1.8
191.17917	1.6
194.75626	1.0
205.19447	1.6
209.19078	1.3
209.57375	1.2
217.19434	4.3
246.06987	1.1
259.10760	1.1
261.25613	6.1
273.25687	10.3
279.26743	12.7
288.52155	1.0
291.26703	41.2
297.27737	2.0
309.27759	36.1
327.28946	8.2
410.21964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.7
53.03918	2.1
55.05495	21.4
57.07058	16.5
59.99617	1.3
62.17086	1.2
67.05479	35.3
69.03397	2.7
69.07042	46.9
70.95026	1.1
71.04953	5.4
71.08608	10.0
79.05458	25.2
81.07026	90.4
83.08594	21.9
85.02880	6.8
85.10146	5.9
91.05442	16.9
93.07011	45.1
95.04949	1.5
95.08569	100.0
97.02866	1.7
97.06506	2.1
97.10136	12.3
105.06995	27.4
107.08562	38.1
109.06488	2.6
109.10123	53.0
111.08040	3.1
111.11670	5.8
119.08527	23.5
121.10108	28.7
123.11664	19.6
125.13232	1.3
133.10103	24.0
134.96796	1.5
135.11652	20.3
137.09612	2.7
137.13242	8.7
139.11211	1.6
144.72911	1.4
147.11650	19.5
149.13205	18.0
151.14816	6.7
155.10611	1.6
161.13184	14.4
163.14786	8.9
165.12715	2.4
165.75345	1.4
175.14734	6.0
177.16344	7.9
179.17801	1.5
189.16296	3.1
203.17929	3.3
217.19456	7.1
261.25854	1.8
273.25635	21.1
279.26797	2.6
291.26764	23.7
309.27728	13.5
327.21747	1.6
345.09201	1.5
430.33563	1.5
507.28894	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01839	1.5
55.05494	18.9
55.52752	0.8
57.03414	1.3
57.07057	10.2
58.91409	0.8
59.04973	5.6
67.05482	25.3
69.03398	4.7
69.07041	56.4
69.07419	2.0
71.04958	14.1
71.08586	2.2
79.05457	8.0
81.07024	63.1
83.08589	30.1
85.02864	6.0
85.06503	4.6
89.05993	5.6
91.05427	3.9
93.07002	31.6
95.04932	1.9
95.08568	100.0
97.02873	1.2
97.06497	4.3
97.10131	10.3
99.08083	1.5
105.06998	10.8
107.08556	34.9
109.06438	1.0
109.10117	37.9
111.08047	29.1
111.11709	7.0
119.08531	9.0
121.10084	21.3
123.11658	31.1
125.09583	2.4
125.13228	1.7
133.10086	6.3
135.11638	12.2
137.13187	10.2
139.11118	1.2
143.56047	0.9
147.11638	10.3
149.13220	21.7
151.11159	2.1
151.14809	5.6
161.13190	6.5
163.14757	6.4
165.16365	4.7
167.03389	1.0
167.14252	1.8
175.14661	1.2
177.16365	4.4
191.17908	4.0
203.17822	1.6
209.18907	1.2
217.19460	1.8
261.25623	7.9
273.25592	10.7
279.26682	13.1
291.26730	43.3
297.27774	2.1
301.07043	4.9
309.27777	39.9
327.28812	9.6
329.06473	11.8
330.07211	3.9
345.09534	30.0
346.09814	1.8
415.65372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.292
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
55.05487	1.2
57.07076	0.3
67.05481	1.0
69.03400	0.3
69.07055	2.1
71.04995	0.3
75.24125	0.2
79.05473	1.1
81.07036	3.7
83.04939	0.4
83.08614	0.8
85.02888	1.0
85.06514	1.4
85.28047	0.2
91.05434	0.6
93.07005	2.1
94.07332	0.3
95.04930	0.3
95.08578	3.4
97.02851	0.4
97.06489	0.3
99.08082	0.4
105.06990	2.4
107.08566	2.4
109.10126	1.9
119.08533	1.9
121.06426	0.3
121.10085	2.0
123.11661	0.4
124.22980	0.2
130.35814	0.2
131.08565	1.4
133.10071	0.9
135.11682	1.1
137.13252	0.3
140.24814	0.2
143.08516	0.3
145.10126	0.9
147.08015	0.3
147.11623	0.6
149.13242	0.4
157.10098	0.4
159.11697	0.5
160.12100	0.3
163.14705	0.4
163.81075	0.2
173.13271	0.5
174.13568	0.3
187.14748	0.4
189.16301	0.3
201.03674	0.4
201.12634	0.4
203.05225	3.8
324.20490	0.3
327.22845	6.3
329.24280	3.0
345.23923	2.6
352.15546	0.3
453.32382	0.3
489.35278	0.3
507.29135	100.0
508.29422	1.6
518.56476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01851	1.7
55.05243	1.1
55.05493	17.9
57.07059	11.0
57.41142	0.7
59.04983	5.7
63.61992	0.7
67.05479	27.2
67.06969	0.6
69.03398	1.8
69.07040	62.6
71.04964	14.7
71.08591	4.4
71.70626	0.8
72.73917	0.8
79.05441	10.5
81.07024	78.9
83.04941	1.7
83.08587	35.0
85.02876	3.1
85.06513	6.1
85.10167	0.9
89.05988	8.2
91.05430	5.5
93.07001	40.3
95.04925	5.1
95.08568	100.0
97.06482	7.0
97.10127	11.0
99.08055	4.3
105.06992	13.8
107.08556	40.6
108.22489	0.8
109.06458	1.9
109.10120	42.6
111.08044	28.5
111.11697	10.5
113.09641	1.3
119.08527	9.7
121.10100	29.5
123.08040	1.1
123.11656	30.5
125.09547	5.7
125.13181	1.8
131.08549	1.3
133.06467	1.1
133.10072	10.6
135.11639	18.0
137.13203	15.9
139.11124	1.4
145.10091	1.2
147.11632	10.2
148.12022	1.1
149.13219	24.4
151.11105	1.7
151.14774	5.0
153.12711	1.1
157.10091	1.0
159.11548	1.2
159.26218	0.8
161.09523	0.8
161.13191	8.3
163.14798	11.1
165.12729	1.4
165.16304	4.5
167.14281	1.6
171.11610	1.1
175.14745	3.4
177.16325	8.0
179.03175	1.1
189.16301	1.6
191.17920	6.3
203.17906	3.5
205.19511	3.8
208.05673	0.9
209.18976	3.1
210.15099	0.7
217.19426	3.0
242.53172	0.9
255.51134	0.8
261.25607	7.8
273.25626	14.2
279.26709	20.1
291.26706	45.5
309.10434	0.9
309.27753	53.1
312.06281	1.9
315.04935	11.9
316.05444	1.4
327.28683	2.9
330.07251	3.5
345.09552	13.4
346.10187	1.4
415.62622	0.9
507.21512	0.9
522.31116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2788
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
50.89204	0.5
52.28835	0.5
53.03928	0.6
55.01849	1.2
55.05497	7.9
57.03418	8.8
57.07047	2.3
57.35095	0.5
59.04986	0.8
61.02904	0.8
67.05478	3.4
69.03403	24.5
69.06675	0.9
69.07040	17.8
71.04967	4.2
73.02886	5.1
75.04430	0.7
79.05460	4.9
81.03375	1.2
81.07025	17.2
83.04930	0.9
83.08586	9.0
85.02876	22.7
85.06514	2.4
87.04427	10.3
90.19804	0.7
91.05443	2.8
92.09409	0.9
93.07003	15.7
95.08570	33.8
97.02856	18.5
97.10145	7.2
99.08052	13.9
103.03912	0.8
105.06988	2.9
107.08557	43.3
109.10126	9.8
111.08048	7.2
113.09605	1.4
115.03883	12.4
121.10099	66.8
123.11678	1.2
125.09583	6.7
127.03849	2.8
133.04909	8.3
135.11659	14.7
137.13213	7.4
145.04959	2.9
149.13226	6.1
177.16315	100.0
195.17366	15.1
213.18408	30.0
254.63040	0.6
277.08948	0.6
303.04993	2.4
467.35098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2789
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.03928	1.1
55.01851	2.6
55.05492	8.5
55.78955	0.5
57.03414	9.3
57.07045	0.8
59.22141	0.5
61.02897	3.6
61.22614	0.6
67.05471	3.9
69.03403	18.5
69.07040	16.6
71.01317	0.8
71.04951	4.6
71.17877	0.5
73.02501	0.8
73.02885	15.3
77.97421	0.6
79.05453	5.9
81.03382	1.3
81.07024	16.5
83.08595	10.9
85.02876	22.8
85.06496	2.6
91.03912	0.6
91.05438	1.3
92.09332	1.2
93.07013	14.3
93.81179	0.6
95.04922	1.0
95.08572	38.3
97.02855	19.7
97.10123	6.8
99.04435	0.9
99.08050	15.4
99.73660	0.6
102.10579	0.7
105.06976	4.2
107.08559	41.3
109.02837	3.0
109.06446	0.8
109.10117	9.7
111.08032	7.6
113.09600	1.4
115.03904	7.0
119.08549	0.9
121.10100	71.1
123.11658	2.5
125.09621	4.8
127.03890	4.1
133.04903	2.3
133.10100	2.3
135.11635	13.3
137.09615	1.0
137.13220	7.3
139.11122	0.9
145.04892	2.8
149.13261	5.6
163.05922	0.8
177.16319	100.0
178.16634	0.7
187.60783	0.6
195.17372	18.2
213.18422	31.8
238.07431	0.7
295.10065	0.9
344.53342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2709
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.00286	1.6
53.03921	2.4
53.35005	1.1
53.85023	1.1
54.81213	1.1
55.01855	1.6
55.05493	29.2
57.03421	19.4
57.07045	1.6
67.05480	82.8
69.07044	21.5
71.04958	1.3
75.54387	1.3
79.05461	57.6
81.07023	66.7
83.04949	2.7
83.08591	7.8
91.05444	33.0
93.07005	62.8
95.04938	9.1
95.08570	54.7
97.06483	2.8
97.10140	2.3
98.98431	87.7
105.06993	24.2
107.08560	29.6
109.06488	1.8
109.10110	20.1
115.25891	1.2
116.99458	2.4
117.06966	6.9
119.08528	21.0
119.32396	1.3
121.10089	18.8
122.10482	1.4
123.08023	1.7
123.11692	2.8
131.08530	11.7
133.10085	10.6
135.11656	13.1
137.09610	1.7
143.08473	1.6
145.10129	9.6
147.11639	6.3
149.09636	1.5
149.13243	5.3
155.00984	24.8
159.11592	3.3
161.13216	7.1
173.02095	8.0
173.13130	2.5
187.14816	2.8
206.27861	1.4
243.20938	5.6
244.12242	1.7
255.95233	1.4
261.21936	10.8
292.47891	1.6
317.24762	5.6
335.25690	100.0
443.76425	1.4
471.24783	5.3
507.30981	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.7
54.92047	1.0
55.01839	5.4
55.05490	14.9
56.96536	1.0
57.03406	7.9
57.03650	1.2
57.07055	7.8
67.05479	14.7
69.03402	16.9
69.07040	27.4
70.07370	2.2
71.04959	6.9
71.08571	1.3
75.04451	2.1
79.05464	25.5
81.03383	16.1
81.07021	63.1
82.07369	11.4
83.04941	1.7
83.08585	13.1
84.08936	1.5
85.02876	19.4
85.06503	7.5
85.13290	1.1
91.05441	19.9
93.07010	90.4
94.07313	5.1
95.04922	6.2
95.08571	42.8
96.08903	7.6
97.02843	7.3
97.06469	8.0
97.10137	3.0
99.04399	1.9
99.08038	2.9
103.05395	2.6
105.06991	22.8
106.07322	1.6
107.04903	8.0
107.08563	26.1
108.08898	5.1
109.02841	2.3
109.06493	2.7
109.10133	18.3
110.10452	3.1
111.08036	21.1
111.11671	2.5
112.08334	1.5
117.06977	5.6
119.04862	1.2
119.08531	38.6
120.05704	1.7
120.08881	2.1
121.06467	34.0
121.10098	65.5
122.10448	2.7
123.08012	3.0
123.11677	11.9
124.12003	2.7
125.09590	1.5
127.03880	5.7
129.07019	2.4
131.04883	7.6
131.08521	6.7
133.10078	8.5
134.10410	2.7
135.04376	1.4
135.07990	7.6
135.11623	9.9
136.11981	1.7
137.05933	33.8
137.09584	1.9
137.13214	7.7
140.13197	1.2
143.08542	1.6
145.04924	1.5
145.10074	6.5
147.11650	9.5
148.11996	1.9
149.05986	2.2
149.09549	18.9
149.13206	6.8
151.07529	8.1
151.11143	1.3
151.26326	1.3
153.12692	2.6
157.06425	5.9
157.10065	5.0
159.11620	3.0
161.05876	2.2
161.13228	2.0
162.10086	1.2
163.03828	5.9
163.07492	15.3
163.14845	5.4
164.04562	5.2
167.07001	9.4
167.10579	8.2
171.08005	5.3
173.13200	2.1
175.07487	5.3
175.14819	1.6
179.06961	100.0
187.07530	2.4
187.14793	2.0
189.05487	1.5
189.09050	17.6
191.06966	53.2
191.08669	2.1
195.02808	9.6
201.09044	6.1
202.16664	1.5
203.10512	5.3
205.08524	6.5
209.07986	23.7
211.11157	1.6
215.07063	2.1
219.10097	1.3
221.09503	2.9
231.10175	9.6
232.33734	1.3
247.09473	1.8
259.09647	2.0
271.13211	5.6
278.25668	1.5
278.36490	1.5
283.15445	1.4
285.14713	5.0
290.25485	6.4
291.26672	2.5
293.13992	1.5
299.16248	7.5
307.26245	2.8
308.26413	6.3
309.14728	3.0
309.27539	5.1
312.71362	1.6
325.27356	2.3
326.27747	2.1
327.15771	13.9
327.28232	1.6
345.16788	9.6
361.08987	3.0
453.18491	1.3
489.21124	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	507.1487
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
50.08075	0.1
52.19252	0.1
53.00285	0.3
53.03921	0.8
55.01856	1.4
55.05242	0.2
55.05491	4.9
57.03415	1.8
57.07051	2.9
57.47393	0.1
57.94817	0.2
59.04970	1.8
60.14217	0.1
61.02900	1.9
61.08615	0.1
62.00568	0.1
64.80962	0.1
65.03920	0.2
67.05476	5.8
69.03404	4.4
69.07040	16.2
71.04964	3.4
71.08590	1.0
73.02884	0.7
73.06525	0.2
77.90869	0.1
79.05457	2.5
80.70324	0.1
81.03384	1.9
81.07021	17.1
83.04932	0.3
83.08585	7.6
85.02873	10.3
85.06524	1.4
85.10110	0.3
87.04442	0.2
89.06012	1.6
91.03918	0.3
91.05461	1.2
92.09253	0.2
93.07005	9.0
95.04937	1.5
95.08565	24.1
97.02847	3.5
97.06508	1.8
97.10133	2.4
99.04391	0.3
99.08022	1.3
104.95551	0.2
105.06991	3.4
107.08555	9.7
109.02805	1.2
109.06490	0.7
109.10119	10.5
111.07323	0.3
111.08038	5.9
111.11678	2.6
111.28152	0.2
113.09559	0.2
119.08549	2.9
120.08857	0.2
121.02851	0.3
121.09290	0.2
121.10086	6.2
123.08028	0.3
123.11656	7.5
125.09571	0.9
125.13206	0.4
127.03847	1.4
131.08539	0.9
133.06490	0.2
133.10086	2.4
135.04344	0.7
135.08060	0.2
135.11635	3.5
137.09526	0.3
137.13197	3.5
139.11133	1.0
143.08524	0.3
145.04939	0.6
145.10060	0.7
146.03601	0.9
147.04330	0.2
147.11615	2.8
147.90048	0.2
148.12050	0.2
149.13211	5.7
151.03864	0.4
151.07524	0.7
151.14790	0.8
153.05421	4.2
153.12732	0.2
157.10078	0.2
159.11612	0.7
161.13144	1.7
162.02986	0.3
163.03812	1.4
163.14748	2.3
165.01743	0.2
165.05391	1.8
165.12691	0.4
165.16333	0.9
167.03331	4.3
167.14220	0.2
167.17331	0.2
173.13199	0.4
175.14757	0.7
176.15099	0.2
177.16302	2.0
179.03328	1.0
179.06920	0.3
187.14818	0.4
189.16359	0.8
191.06963	0.4
191.14435	0.2
191.17903	0.9
197.04361	0.2
201.16315	0.8
203.17860	1.6
205.15881	0.5
205.19426	0.4
208.03604	1.4
217.19463	0.9
221.18933	0.3
223.02246	0.3
227.06990	0.3
229.04854	0.2
241.04910	0.9
243.06427	0.6
244.07233	0.4
253.04834	0.2
255.06439	0.4
256.07129	0.3
257.07971	0.3
259.05936	0.3
261.25693	1.6
269.04279	0.3
271.05917	0.8
272.06781	0.6
273.07416	0.3
273.25598	2.4
279.26718	3.0
283.05850	1.8
284.06644	1.4
285.07462	2.2
286.04654	0.3
286.08179	0.3
287.05429	0.4
289.05267	0.3
289.10706	0.4
291.26715	8.6
297.03857	0.3
297.27844	2.6
299.05460	0.4
300.06021	0.4
301.06943	9.6
302.07721	0.7
309.27756	10.3
311.05493	1.3
312.06168	2.6
313.06943	4.2
314.07739	1.0
315.04947	1.3
316.05640	1.0
316.09042	0.2
327.28769	2.5
329.06415	29.7
330.07144	6.5
345.09549	100.0
346.09991	0.9
407.33090	0.2
505.85809	0.2
507.21832	1.6
507.28467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1487
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
52.01633	0.2
55.01820	0.3
55.05494	1.7
57.03387	0.3
57.07006	0.4
59.04943	0.2
67.05485	2.1
69.03352	1.3
69.07044	2.2
71.04918	1.0
74.02377	0.5
79.05461	1.6
81.03349	1.0
81.07022	5.0
82.07353	0.3
83.04918	0.2
83.08538	1.3
85.02870	2.0
85.06486	0.5
91.05393	1.5
92.09267	0.3
93.07000	4.3
94.07290	0.4
95.04885	0.9
95.08571	4.7
96.08846	0.3
97.02818	0.3
97.06443	0.4
97.10101	0.3
99.08001	0.4
105.06992	2.5
107.07871	0.2
107.08543	3.5
108.08853	0.3
109.02821	0.4
109.06463	0.7
109.10102	2.9
110.10410	0.3
111.07997	1.0
111.11633	0.2
119.08539	2.9
120.08845	0.2
121.06352	0.2
121.10088	2.3
122.10411	0.3
123.07944	0.4
123.11620	1.3
125.09612	0.3
131.04842	1.3
131.08504	1.5
132.05171	0.3
133.10071	1.8
134.10347	0.3
135.04393	0.3
135.07935	0.3
135.11620	0.5
137.09526	0.3
137.13239	0.3
139.07471	0.2
141.08569	0.2
143.08498	0.4
145.04936	0.3
145.10019	1.8
146.10371	0.4
147.07967	0.5
147.11624	1.9
148.12004	0.3
149.05907	0.3
149.13162	1.3
157.10048	0.5
159.11571	1.1
161.13228	1.9
163.03801	1.0
163.14732	0.5
165.09077	0.2
165.12735	0.4
167.03333	1.3
168.04176	0.2
173.13074	0.8
175.14679	0.9
177.16324	0.4
185.13277	0.3
187.14674	0.5
189.12686	0.8
189.16263	0.2
192.04085	1.0
201.16348	0.4
203.17773	0.3
205.15762	0.3
227.06876	1.1
255.06541	0.3
256.07162	6.1
269.04340	0.4
272.06738	3.8
272.56995	0.3
283.05896	0.4
284.06674	24.1
286.04843	0.3
287.05371	2.5
290.20352	0.2
291.26672	0.3
293.09225	0.3
300.06158	3.0
301.06949	10.2
312.06189	2.2
313.06998	2.1
315.04840	3.6
316.05612	4.8
327.05017	1.8
327.23178	0.2
329.06424	82.8
330.07214	19.0
330.11252	0.4
341.42593	0.2
345.09555	100.0
346.09940	0.3
387.10379	0.3
463.94003	0.2
471.30176	0.3
472.31317	0.4
507.14798	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	507.1489
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
54.32084	0.2
55.05469	0.3
57.30697	0.2
61.93991	0.1
66.58121	0.2
67.05455	0.1
69.03374	0.8
69.07001	0.3
71.04929	0.2
79.05425	0.3
79.58662	0.2
81.03365	0.3
81.07025	1.6
83.01311	0.2
83.08578	0.2
85.02871	1.2
87.00762	0.4
87.04405	0.2
91.05442	0.2
93.03341	0.2
93.06937	0.9
95.08520	1.0
97.02799	0.4
97.06455	0.2
105.01778	0.2
105.06953	0.4
106.07354	0.2
107.08516	0.8
108.08905	0.2
109.10069	0.8
119.08495	0.8
120.08878	0.2
121.06445	0.2
121.10088	0.4
123.11575	0.2
129.06924	0.3
132.04800	0.2
132.05672	3.0
133.06473	3.1
133.10002	0.3
134.07182	0.3
135.04353	2.8
135.11630	0.4
136.11940	0.2
141.06927	1.3
145.06494	0.2
147.11566	0.2
148.12022	0.2
152.00975	0.2
153.06917	0.7
154.99644	1.1
157.06461	0.2
159.07961	0.3
161.05884	0.7
163.03757	0.2
169.06433	6.9
170.02045	0.4
171.07944	0.7
172.08760	0.4
177.05377	0.4
181.06349	0.4
182.99219	1.4
183.07930	0.4
184.08768	4.2
185.05978	1.2
190.84152	0.2
197.00970	0.2
197.05922	6.8
198.01566	0.8
199.07390	0.8
200.08281	0.8
201.00291	2.1
203.17821	0.2
210.06654	0.2
211.07442	1.5
212.08282	3.8
213.03751	0.4
213.05508	0.6
214.06186	0.3
216.02682	0.3
216.07750	0.2
225.05377	2.4
227.06969	4.1
228.04056	1.1
228.07732	5.1
229.04890	0.3
230.05675	0.4
239.06920	1.2
240.07727	15.5
241.07794	0.2
255.06392	0.8
256.07202	1.7
283.05948	0.9
284.06671	3.5
287.05493	2.6
300.06192	1.0
301.06961	0.9
312.06177	37.4
313.06870	0.4
315.04892	25.9
318.95676	0.2
329.06378	0.9
330.03159	0.4
330.07233	27.0
345.09583	100.0
346.09637	0.4
363.09485	0.2
454.82803	0.2
507.14798	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	507.1138
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
52.73815	0.1
53.03698	0.1
53.03930	3.6
55.01848	1.2
55.05476	0.2
55.23836	0.1
56.75663	0.1
57.03418	1.8
59.04951	0.2
61.02906	1.0
65.03900	0.1
67.05466	0.7
68.99744	0.6
69.03403	12.9
69.07026	0.8
71.01315	0.2
71.04968	1.4
73.02891	1.5
79.05457	0.2
81.03385	17.9
81.07004	0.8
83.01285	0.2
83.04943	0.7
85.02874	7.1
87.04436	0.2
91.05414	0.2
92.09367	0.3
93.03322	0.3
93.07007	1.4
94.07322	0.3
95.04929	0.3
95.08572	1.8
96.08903	0.2
97.02850	6.6
97.06464	0.2
99.04408	2.7
103.03872	0.2
105.06954	0.6
107.04885	0.2
107.08556	1.3
108.08884	0.3
109.02845	9.0
109.06470	0.6
109.09409	0.2
109.10117	3.7
110.06868	0.1
110.10446	1.5
111.00778	1.5
111.04371	0.2
111.08092	0.2
119.08546	1.6
120.08866	0.6
121.02811	1.4
121.10083	1.4
122.10402	0.3
123.04417	0.5
123.08038	0.6
123.11613	0.3
124.08450	0.2
127.03867	6.2
133.10071	0.8
134.10442	0.5
135.04376	0.2
135.11633	2.7
136.11966	2.1
137.02293	4.6
137.05888	0.1
137.09558	0.3
138.09904	0.2
145.04890	1.1
145.06389	0.2
149.02281	0.6
149.09601	0.3
149.13187	0.2
151.11131	0.2
153.01782	5.1
153.03008	0.2
155.04829	0.2
161.06013	0.4
163.03864	1.2
165.01758	2.7
166.02626	0.2
173.05923	0.6
175.14755	1.1
176.15094	0.9
177.01738	0.1
177.05441	0.3
183.02855	1.1
183.04315	0.3
187.04108	0.4
187.05948	5.6
191.03548	0.2
191.07016	0.2
193.15771	1.4
194.16170	0.9
195.02815	0.2
195.16539	0.2
201.05405	2.4
205.04871	0.2
211.16838	2.1
212.17152	1.8
213.17592	0.2
219.06422	0.2
228.04021	0.2
229.04886	6.0
247.05925	1.1
257.04321	3.5
274.04590	1.4
285.03815	1.9
303.04874	100.0
304.05145	1.1
353.51532	0.2
415.02988	0.2
449.87384	0.2
507.27798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	15.1
56.05827	1.8
57.07059	3.0
62.16340	1.7
67.05483	18.6
69.07042	19.3
79.05450	14.7
81.07024	32.3
83.04951	2.9
83.08597	10.7
91.05425	20.3
92.08691	2.3
93.07007	39.5
94.07312	3.6
95.04976	2.1
95.08572	50.8
95.17265	1.7
96.08882	2.7
99.08047	14.7
103.12096	1.8
105.06997	58.7
106.07336	4.3
107.08562	62.9
108.08888	4.3
109.06512	2.2
109.10129	32.4
110.10446	1.9
111.08048	2.2
119.08537	100.0
120.08871	4.5
121.10094	48.8
123.08006	2.2
123.11645	14.5
131.08533	49.9
132.08896	2.9
133.10089	55.8
134.10432	4.3
135.07996	4.0
135.11644	32.0
137.09639	2.9
137.13243	2.0
143.08511	8.5
145.10071	56.9
146.10463	4.4
147.11642	91.3
149.13210	16.0
155.08548	2.3
157.10078	16.2
158.10536	2.4
159.11639	48.2
160.11989	2.8
161.09480	2.5
161.13225	30.1
162.13542	4.2
163.11125	10.7
163.14767	14.7
169.10095	2.9
170.10915	1.8
171.11617	10.8
173.13206	23.4
174.13533	4.1
175.14745	24.9
176.15094	7.3
177.12732	3.1
177.16345	22.0
179.14165	2.1
183.11662	2.5
185.13210	15.4
186.13562	2.8
187.14743	58.6
188.15077	4.0
189.12567	2.3
189.16307	33.7
191.17853	4.4
199.14763	12.3
200.15239	2.4
201.16310	93.9
202.16603	4.2
203.14276	3.9
203.17870	8.2
205.15810	64.5
206.16135	2.1
207.17407	9.3
211.14647	2.4
213.16396	17.3
214.16776	2.1
215.14417	2.7
215.17902	9.7
217.15836	2.1
217.19473	2.7
219.17366	13.0
222.60059	2.1
223.16861	8.3
225.16321	2.5
227.17862	3.6
229.19559	3.2
235.18703	2.1
240.54367	2.2
241.19464	2.4
316.11154	2.0
377.32028	3.9
391.12430	2.0
394.28131	2.7
395.33008	13.1
406.31726	7.1
407.33020	31.3
412.29419	2.1
423.32404	4.4
424.32477	3.4
425.34018	30.4
441.33420	20.8
443.34869	2.7
452.32111	10.2
453.33719	21.1
470.33279	4.3
471.34769	16.8
488.34119	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85350	1.7
53.84274	1.9
55.05489	16.8
57.07047	4.3
59.85920	1.9
67.05475	23.2
69.03407	2.6
69.07044	17.7
79.05469	15.5
81.07024	49.4
83.04951	53.4
83.08576	11.3
83.26912	2.2
91.05424	16.8
92.63798	2.5
93.07012	51.6
95.04943	4.6
95.08570	71.4
97.10114	2.6
105.07003	48.2
107.07883	4.4
107.08566	82.4
109.06501	8.4
109.10114	42.7
111.08016	4.4
117.06992	4.9
119.08530	77.9
121.10102	49.4
123.08041	5.3
123.11631	16.4
125.09592	14.6
131.08531	27.5
133.10085	61.5
135.11662	27.6
137.13257	2.9
143.08557	9.8
145.10081	44.4
146.56819	2.3
147.11626	27.5
149.13214	16.6
151.11148	3.7
157.10086	11.8
159.11623	42.9
161.13210	32.2
163.14787	12.0
171.11618	9.5
172.45662	2.0
173.13165	30.7
175.14771	28.6
177.16316	18.9
185.13277	5.2
187.14729	36.7
189.16310	44.6
191.17937	8.4
193.15834	3.6
199.14716	18.9
201.16327	46.0
203.17888	11.2
205.15822	3.2
213.16298	28.0
215.17865	30.0
217.15831	13.6
217.19391	2.2
219.17427	2.8
225.16359	4.3
231.17384	2.7
233.18953	3.3
241.19415	3.9
255.20886	2.5
259.16858	9.3
267.20868	4.1
299.71640	2.2
389.31708	4.4
395.29285	6.8
407.32883	27.1
409.34567	4.9
435.32565	19.2
453.33475	100.0
471.34137	9.9
489.35001	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	506.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86167	3.3
55.05495	13.6
63.28348	3.2
67.05483	20.5
68.32917	3.4
69.07041	8.4
74.29044	2.8
79.05471	17.8
81.07031	47.8
81.29739	3.7
83.04952	67.7
83.08599	6.5
91.05443	20.2
93.07012	56.5
95.04953	6.3
95.08563	82.3
97.06532	4.0
99.08103	4.3
105.06996	52.8
107.07882	5.0
107.08556	94.5
109.06506	6.3
109.10122	39.1
111.08022	6.7
115.24167	3.8
117.06995	6.1
119.08533	87.2
121.10080	50.2
123.08017	6.5
123.11668	24.0
125.09596	24.3
129.06999	5.2
131.08511	23.1
133.10071	60.4
135.11620	36.5
137.13219	4.1
143.08525	14.8
145.10057	45.4
147.11636	32.9
149.13199	16.6
157.10120	15.5
159.11617	54.5
161.13197	32.8
163.07510	5.9
163.14761	6.4
170.56302	3.4
171.11647	16.4
173.13184	36.7
175.14778	28.6
177.16318	18.4
185.13150	4.9
187.14696	37.0
189.16315	34.7
191.17816	5.5
193.15730	5.8
199.14766	15.6
201.16344	39.8
203.17821	15.7
206.83554	4.2
211.14929	4.1
213.16293	29.9
215.17905	37.5
217.15868	6.8
219.17247	4.3
225.93634	3.9
227.17807	4.2
239.17905	4.2
243.87265	3.7
259.16931	20.6
261.18265	6.4
267.20871	3.7
341.24902	4.4
389.31766	4.3
395.28925	5.7
407.33078	24.7
425.29816	4.7
435.32373	21.8
453.33493	100.0
471.34796	5.7
489.35434	4.6
533.88007	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	506.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20770	0.3
56.96525	0.4
57.03405	0.7
61.02887	0.8
65.03903	0.4
69.03403	3.8
73.02863	0.6
81.03371	1.5
85.02871	17.4
87.04433	0.5
91.03927	0.5
91.05429	3.1
93.98549	0.4
97.02854	4.9
109.02834	1.7
119.04897	17.6
127.03858	2.6
135.04385	0.8
145.04921	1.9
147.04361	100.0
163.03836	3.9
165.05411	36.0
327.10620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81420	2.7
55.05487	11.9
64.33150	2.3
67.05473	13.9
69.07036	21.5
76.56085	2.2
78.24141	2.5
79.05453	14.0
81.07023	25.6
83.04956	3.0
83.08614	7.8
91.05446	19.3
93.07000	41.3
95.04932	2.3
95.08570	48.7
97.10087	3.2
99.08056	10.5
105.07003	50.7
106.07264	2.6
107.08561	70.2
108.08836	2.5
109.06472	2.6
109.10136	28.5
117.06973	5.0
119.08533	86.0
121.06503	2.7
121.10094	52.8
123.11668	12.4
131.08510	40.8
133.10092	68.8
135.08009	4.0
135.11641	27.9
137.09561	2.8
137.13202	2.7
143.08513	3.3
145.10081	54.8
147.10512	3.3
147.11649	77.4
149.09555	2.7
149.13188	14.3
155.08556	3.0
157.10057	14.3
158.10844	3.7
159.11620	44.7
161.13188	28.2
163.11121	20.1
163.14723	19.2
169.09920	2.5
171.11624	5.3
172.12378	3.7
173.13179	26.1
175.11180	2.5
175.14748	36.7
177.16330	24.0
185.13219	13.2
187.14778	57.7
189.16330	58.8
191.17909	10.5
192.93832	2.9
194.28282	2.3
199.14742	5.6
201.16321	100.0
203.17935	18.0
205.13852	2.8
205.15804	74.6
207.17422	5.1
211.14680	2.8
213.16339	8.4
215.17952	5.2
217.19449	2.4
219.17398	5.5
223.16872	3.6
227.18033	3.5
247.16707	3.0
309.95541	2.2
353.28305	2.9
389.32053	3.4
407.32852	41.9
409.34354	2.5
425.34006	32.5
435.32391	4.7
443.34848	3.8
453.33603	38.8
471.34369	12.9
489.35376	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	506.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
54.34365	0.2
55.01837	0.3
57.03414	0.4
60.32069	0.2
61.02900	1.1
65.49606	0.2
67.34931	0.2
69.03082	0.2
69.03412	2.6
70.36345	0.2
71.04990	0.2
73.02905	0.2
75.98207	0.2
81.03384	1.4
83.01320	0.2
84.16624	0.2
85.02373	0.4
85.02874	10.3
86.80902	0.2
91.03925	0.4
91.05436	4.6
97.02863	2.8
105.07018	0.9
109.02863	1.3
119.04900	21.0
123.04375	1.5
124.13508	0.2
127.03866	2.2
135.04323	0.3
145.02802	0.2
145.04892	1.8
147.04366	100.0
153.97945	0.2
163.03835	1.1
163.05946	0.4
165.05412	26.0
168.60489	0.2
180.08591	0.8
278.54480	0.3
309.09424	0.4
327.10184	0.2
344.13220	0.4
349.55179	0.2
353.70938	0.2
385.11346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3513
Annotation	Yardenone A
Peak:m/z	Relative Intensity
53.03932	1.6
55.01832	2.7
55.05490	18.5
57.03403	1.4
57.07046	7.9
59.04982	1.3
59.45996	1.3
67.05483	23.3
69.03379	2.0
69.06679	2.2
69.07037	48.0
71.04965	3.4
71.08585	2.4
79.05454	18.3
81.07015	51.3
83.04964	5.6
83.08585	25.0
85.06522	2.2
91.05440	26.8
93.07005	100.0
95.04926	18.1
95.08567	62.2
97.06463	9.3
97.10114	7.4
99.08045	7.1
105.06993	39.2
107.08557	42.4
109.06485	5.5
109.10113	36.8
111.08050	12.4
111.11662	1.5
117.06950	6.1
119.08533	52.0
121.10086	41.1
121.10896	2.5
123.07996	3.3
123.11660	20.6
124.99333	1.3
125.09544	1.5
131.08513	25.8
133.10080	33.9
135.08023	2.0
135.11644	17.8
137.09544	1.7
137.13194	8.0
139.11148	2.8
143.08473	3.4
145.10068	27.1
147.08020	2.5
147.11639	43.5
149.09537	1.8
149.13188	18.7
151.07512	1.8
151.11131	2.1
155.08546	1.5
157.10052	5.3
159.11650	21.0
161.09526	1.5
161.13181	11.6
163.11172	2.5
163.14754	8.8
165.08990	1.8
169.08614	1.9
171.11589	4.7
173.13199	10.9
175.14789	9.9
177.12732	2.1
177.16278	3.3
177.29445	1.6
178.24487	1.5
179.10609	2.1
183.11591	2.5
183.34502	1.6
185.13184	6.6
187.14735	27.1
189.16306	10.8
195.17368	2.0
199.14803	2.7
201.16273	20.8
203.17844	3.5
205.15894	2.0
211.14935	2.3
213.16237	1.9
215.17896	5.5
219.17427	2.1
227.17862	2.1
239.16309	13.8
255.20929	1.6
257.28482	1.8
271.24100	5.5
289.25137	8.9
294.33087	1.6
295.26309	3.5
307.26193	39.4
325.27328	10.0
360.21594	1.6
395.32791	3.3
405.26190	6.0
405.31332	3.2
415.31598	1.7
423.32373	7.3
441.33472	15.7
451.32117	3.2
459.34622	9.7
469.32861	2.5
487.34372	4.7
505.20151	2.6
505.34656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3515
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03908	1.9
55.05494	19.9
57.03397	3.1
59.03846	2.0
59.78864	1.8
67.05476	20.0
69.03381	4.5
69.07034	15.1
75.98694	2.4
79.05457	24.9
81.07021	65.7
83.04937	9.5
83.08571	10.2
91.05432	21.9
93.07005	58.3
95.04928	3.8
95.08563	73.2
97.06496	4.6
99.08076	14.4
99.12625	1.9
103.80061	2.1
105.06992	69.7
106.07318	2.4
107.08556	71.6
108.08845	2.1
109.06446	3.9
109.10106	39.8
111.08000	4.9
116.45593	1.9
117.06945	10.4
119.08536	100.0
121.06453	2.0
121.10091	46.3
123.08025	5.1
123.11635	16.7
125.09558	8.3
129.07007	6.8
131.04839	2.2
131.08505	43.3
133.10080	52.2
135.11630	34.4
137.09619	2.6
137.13258	2.9
139.11171	2.8
140.89055	2.4
142.07726	3.8
143.08504	26.2
145.10071	62.7
147.07983	2.5
147.11632	43.9
149.05937	8.3
149.09541	2.6
149.13190	12.8
151.11073	2.6
155.08461	7.9
156.09279	4.3
157.10068	32.4
159.11615	41.5
161.09549	3.2
161.13197	30.2
163.07483	4.0
163.11150	2.6
163.14755	9.4
169.10068	10.5
170.10681	2.7
171.11572	22.0
172.12282	2.3
173.13170	34.8
175.14775	22.5
177.09023	2.7
177.16371	5.1
183.11583	13.8
185.13196	37.0
187.14769	39.6
189.16319	37.3
190.16618	8.3
191.14296	2.6
197.13152	12.5
199.14763	33.2
201.16324	28.5
203.14253	24.1
203.17929	4.0
205.15755	8.9
207.17395	31.0
208.17719	12.2
209.13255	7.7
211.14743	4.5
213.16302	25.7
215.14139	2.5
215.17828	5.2
217.15820	2.8
219.13675	9.1
219.17346	3.6
225.16240	3.5
227.17757	8.0
231.17303	7.8
233.15219	2.2
237.16187	2.5
239.17805	4.4
241.19437	4.2
245.15216	5.0
249.14719	10.4
253.19536	4.0
257.28253	2.7
259.16721	4.0
267.21170	2.7
279.21085	2.6
281.22601	3.4
283.20242	2.7
320.41818	2.4
387.30237	4.1
393.27551	13.2
405.31384	36.4
407.32794	3.5
423.32236	11.7
424.32898	3.5
433.30817	12.8
441.33093	11.9
442.33856	22.2
451.31772	29.3
469.32959	15.4
487.33926	22.5
488.34586	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.9
55.05494	19.9
57.03397	3.1
59.03846	2.0
59.78864	1.8
67.05476	20.0
69.03381	4.5
69.07034	15.1
75.98694	2.4
79.05457	24.9
81.07021	65.7
83.04937	9.5
83.08571	10.2
91.05432	21.9
93.07005	58.3
95.04928	3.8
95.08563	73.2
97.06496	4.6
99.08076	14.4
99.12625	1.9
103.80061	2.1
105.06992	69.7
106.07318	2.4
107.08556	71.6
108.08845	2.1
109.06446	3.9
109.10106	39.8
111.08000	4.9
116.45593	1.9
117.06945	10.4
119.08536	100.0
121.06453	2.0
121.10091	46.3
123.08025	5.1
123.11635	16.7
125.09558	8.3
129.07007	6.8
131.04839	2.2
131.08505	43.3
133.10080	52.2
135.11630	34.4
137.09619	2.6
137.13258	2.9
139.11171	2.8
140.89055	2.4
142.07726	3.8
143.08504	26.2
145.10071	62.7
147.07983	2.5
147.11632	43.9
149.05937	8.3
149.09541	2.6
149.13190	12.8
151.11073	2.6
155.08461	7.9
156.09279	4.3
157.10068	32.4
159.11615	41.5
161.09549	3.2
161.13197	30.2
163.07483	4.0
163.11150	2.6
163.14755	9.4
169.10068	10.5
170.10681	2.7
171.11572	22.0
172.12282	2.3
173.13170	34.8
175.14775	22.5
177.09023	2.7
177.16371	5.1
183.11583	13.8
185.13196	37.0
187.14769	39.6
189.16319	37.3
190.16618	8.3
191.14296	2.6
197.13152	12.5
199.14763	33.2
201.16324	28.5
203.14253	24.1
203.17929	4.0
205.15755	8.9
207.17395	31.0
208.17719	12.2
209.13255	7.7
211.14743	4.5
213.16302	25.7
215.14139	2.5
215.17828	5.2
217.15820	2.8
219.13675	9.1
219.17346	3.6
225.16240	3.5
227.17757	8.0
231.17303	7.8
233.15219	2.2
237.16187	2.5
239.17805	4.4
241.19437	4.2
245.15216	5.0
249.14719	10.4
253.19536	4.0
257.28253	2.7
259.16721	4.0
267.21170	2.7
279.21085	2.6
281.22601	3.4
283.20242	2.7
320.41818	2.4
387.30237	4.1
393.27551	13.2
405.31384	36.4
407.32794	3.5
423.32236	11.7
424.32898	3.5
433.30817	12.8
441.33093	11.9
442.33856	22.2
451.31772	29.3
469.32959	15.4
487.33926	22.5
488.34586	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.7
55.05497	23.7
57.03412	4.3
57.07046	4.2
57.50544	2.2
61.70116	2.3
65.29404	2.3
67.05486	24.7
69.03407	4.8
69.07047	27.6
71.04962	4.5
73.57255	2.1
77.54595	2.2
79.05456	27.5
81.07028	82.0
83.04949	41.7
83.08604	11.6
85.02870	13.0
89.72030	3.4
91.05454	35.2
93.07004	83.5
94.07333	6.4
95.04942	24.0
95.08566	74.2
96.08931	3.3
97.02847	4.6
97.06493	14.1
99.08055	9.7
105.01846	3.1
105.06992	70.9
107.07884	4.5
107.08562	96.9
109.06475	10.5
109.10139	58.1
110.10500	2.9
111.08035	12.8
117.06942	10.8
117.53890	3.0
119.08541	100.0
120.08856	3.6
121.06445	3.4
121.10101	49.9
123.07987	5.6
123.11674	25.1
125.09590	5.8
127.03917	2.6
129.06996	3.1
131.04857	3.2
131.07843	2.6
131.08533	40.5
133.10081	55.9
134.10443	3.0
135.07935	2.9
135.11620	26.6
137.05978	4.0
137.09538	2.9
137.13205	2.5
142.07758	3.2
143.08499	13.0
144.09361	4.3
145.02876	3.2
145.10072	63.4
147.11642	52.8
148.12021	3.9
149.09500	3.0
149.12080	2.8
149.13176	19.2
156.09323	6.3
157.10065	28.9
159.11632	54.3
161.13214	29.2
163.03812	6.4
163.14726	6.3
169.10115	6.1
171.11617	23.3
173.13225	25.8
175.14755	26.3
176.36002	3.0
177.16394	4.5
182.74614	3.1
183.11659	9.6
185.13211	10.7
187.14767	33.7
189.16312	14.0
191.14247	3.1
191.18024	2.7
193.66043	2.9
197.13121	3.1
199.14780	21.6
201.16348	29.7
203.14322	4.4
203.17891	14.3
204.18283	5.7
205.15805	10.3
211.14764	4.1
213.16266	10.6
217.15808	15.5
219.17450	6.1
227.17928	2.5
231.17319	13.1
239.20044	2.6
245.15141	3.0
257.04504	4.0
289.25177	3.7
307.26038	10.6
343.22775	2.9
393.31693	3.6
405.31210	13.8
411.28622	5.0
423.32480	18.9
451.31891	11.1
469.32889	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3517
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03911	2.7
55.05497	23.7
57.03412	4.3
57.07046	4.2
57.50544	2.2
61.70116	2.3
65.29404	2.3
67.05486	24.7
69.03407	4.8
69.07047	27.6
71.04962	4.5
73.57255	2.1
77.54595	2.2
79.05456	27.5
81.07028	82.0
83.04949	41.7
83.08604	11.6
85.02870	13.0
89.72030	3.4
91.05454	35.2
93.07004	83.5
94.07333	6.4
95.04942	24.0
95.08566	74.2
96.08931	3.3
97.02847	4.6
97.06493	14.1
99.08055	9.7
105.01846	3.1
105.06992	70.9
107.07884	4.5
107.08562	96.9
109.06475	10.5
109.10139	58.1
110.10500	2.9
111.08035	12.8
117.06942	10.8
117.53890	3.0
119.08541	100.0
120.08856	3.6
121.06445	3.4
121.10101	49.9
123.07987	5.6
123.11674	25.1
125.09590	5.8
127.03917	2.6
129.06996	3.1
131.04857	3.2
131.07843	2.6
131.08533	40.5
133.10081	55.9
134.10443	3.0
135.07935	2.9
135.11620	26.6
137.05978	4.0
137.09538	2.9
137.13205	2.5
142.07758	3.2
143.08499	13.0
144.09361	4.3
145.02876	3.2
145.10072	63.4
147.11642	52.8
148.12021	3.9
149.09500	3.0
149.12080	2.8
149.13176	19.2
156.09323	6.3
157.10065	28.9
159.11632	54.3
161.13214	29.2
163.03812	6.4
163.14726	6.3
169.10115	6.1
171.11617	23.3
173.13225	25.8
175.14755	26.3
176.36002	3.0
177.16394	4.5
182.74614	3.1
183.11659	9.6
185.13211	10.7
187.14767	33.7
189.16312	14.0
191.14247	3.1
191.18024	2.7
193.66043	2.9
197.13121	3.1
199.14780	21.6
201.16348	29.7
203.14322	4.4
203.17891	14.3
204.18283	5.7
205.15805	10.3
211.14764	4.1
213.16266	10.6
217.15808	15.5
219.17450	6.1
227.17928	2.5
231.17319	13.1
239.20044	2.6
245.15141	3.0
257.04504	4.0
289.25177	3.7
307.26038	10.6
343.22775	2.9
393.31693	3.6
405.31210	13.8
411.28622	5.0
423.32480	18.9
451.31891	11.1
469.32889	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58958	1.3
54.57341	1.6
55.01044	1.5
55.05491	22.5
57.07049	10.5
59.04971	2.0
67.05218	1.6
67.05482	25.7
69.03408	2.7
69.07039	45.6
71.04959	4.0
78.26071	1.9
79.05435	19.3
81.07024	63.1
83.04945	3.7
83.08582	23.6
85.06499	4.2
87.04471	1.6
91.05441	25.9
92.09355	3.1
93.06421	3.8
93.07008	100.0
95.04930	20.0
95.08571	69.9
97.06499	9.5
97.10111	7.5
99.08045	8.1
105.06994	51.0
107.08559	71.8
109.06475	7.2
109.10127	38.2
111.08056	10.0
113.37758	1.6
117.06994	6.8
119.07730	3.2
119.08538	64.8
121.06455	2.6
121.09285	2.4
121.10102	47.0
123.08028	4.0
123.11663	21.5
125.09581	3.8
126.03165	1.8
127.07496	1.8
131.08528	34.8
133.10092	37.2
135.08009	2.4
135.11659	21.0
137.09575	2.3
137.13203	3.6
137.66411	2.0
139.11124	2.9
143.08496	9.0
143.99821	1.8
145.10083	35.6
147.07973	2.4
147.11618	47.3
149.09523	2.3
149.13223	17.5
151.11150	1.8
157.10062	12.9
158.10793	2.3
159.07872	1.9
159.11641	26.6
161.09456	2.9
161.13226	15.8
163.11116	3.4
163.14810	12.0
165.09024	3.8
169.10098	3.6
171.11650	7.8
173.13148	17.9
175.11110	3.0
175.14763	14.8
177.16269	7.4
181.12123	2.0
183.11610	3.6
185.13208	13.5
187.14760	38.3
189.12679	2.2
189.16353	14.8
191.17838	3.2
199.14748	4.2
201.16321	24.7
203.14192	2.7
203.17952	7.2
205.15891	2.4
211.14857	2.1
213.16222	3.2
215.14272	3.1
215.17831	2.7
219.17357	2.5
221.15306	2.0
225.16425	2.2
227.17810	2.3
229.15698	2.1
229.19447	2.2
239.16293	14.3
247.16861	1.8
253.17863	2.8
255.20932	2.1
271.24005	7.3
289.25040	8.9
295.26184	4.0
307.26205	35.4
325.27216	12.7
405.26056	3.7
405.31183	4.2
415.31287	2.5
423.32611	13.0
441.33572	20.4
451.31985	14.3
459.34467	15.5
469.32941	12.8
487.33920	7.8
505.20035	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	505.3515
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
55.01848	3.3
55.05493	18.1
57.07049	5.3
67.05463	18.6
69.03414	3.0
69.07047	27.5
77.54525	2.0
79.05460	20.2
79.14655	2.1
79.90528	2.1
81.07024	58.4
83.04947	2.7
83.08588	11.6
85.02891	2.9
86.10590	2.2
87.00842	2.6
91.05457	24.4
92.38914	2.3
93.07001	50.3
95.04945	3.4
95.08571	65.7
97.02839	3.2
97.06503	5.4
97.10129	4.7
99.08056	3.9
103.05507	2.8
105.06996	84.4
107.07879	4.5
107.08566	75.2
107.09296	2.4
109.06506	5.9
109.10119	37.1
111.08043	40.2
117.06994	11.9
119.08536	100.0
121.06459	14.4
121.10098	48.7
123.08052	10.1
123.11665	13.4
125.09588	3.9
129.06949	5.1
130.07756	2.5
131.08530	63.0
133.10080	78.3
134.10423	2.8
135.08023	10.8
135.11641	28.1
137.09627	3.6
137.13251	3.6
143.08469	19.4
145.10075	82.9
147.08109	3.7
147.11636	51.8
149.09578	3.5
149.13242	15.7
155.08553	2.3
156.09296	4.2
157.10112	30.8
158.10802	3.2
159.10391	4.5
159.11638	69.9
159.12813	4.4
161.09596	9.6
161.13181	41.9
163.11159	9.6
163.14729	28.2
170.10828	3.5
171.11635	18.9
173.13200	67.2
175.11108	9.6
175.14764	48.1
177.16376	14.9
179.10783	2.7
183.11592	9.4
185.13223	14.6
187.14760	66.6
189.12679	4.7
189.16306	29.7
191.14238	93.0
191.17975	4.4
199.14792	19.0
201.12650	3.0
201.16330	96.4
203.14325	27.5
203.17892	43.4
205.15784	17.0
211.14754	2.8
213.16321	14.3
215.14043	3.2
215.17882	11.5
217.15828	5.5
219.17403	12.6
221.15273	31.1
222.19080	2.4
229.15802	3.9
229.19279	2.8
229.70999	2.4
231.17239	3.1
235.16893	3.1
239.16165	2.9
247.16861	23.3
307.26282	5.4
405.31226	18.2
407.32446	2.5
423.32489	41.6
425.33908	10.5
433.30493	2.5
438.56418	2.9
439.32004	4.2
441.33380	16.0
451.31616	10.2
459.34460	4.6
469.33035	15.0
487.34671	16.7
505.27634	8.5
505.34592	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40191	1.6
55.05491	15.1
57.07049	6.5
67.05482	19.6
69.03390	2.4
69.07048	14.2
71.04953	2.9
79.05461	19.3
81.03374	2.4
81.07025	35.9
83.04926	9.0
83.08579	8.8
85.06517	6.4
91.05427	27.0
93.07014	47.5
95.04945	3.3
95.08571	46.4
97.06489	2.9
97.10117	2.2
99.08055	19.9
104.14961	1.9
105.06997	69.8
107.08563	74.7
109.06483	7.7
109.10123	28.3
111.08012	8.1
117.06976	11.5
119.08536	100.0
119.84510	1.6
120.74192	1.7
121.06474	2.5
121.09303	2.4
121.10109	45.2
123.08011	11.6
123.11670	15.2
129.06950	6.6
131.08516	42.1
133.10080	60.7
135.08006	9.8
135.11629	24.6
137.09549	10.4
137.13214	1.9
141.01674	1.8
142.07745	6.6
143.08542	15.6
145.09000	2.9
145.10071	52.9
147.07941	3.2
147.11630	70.0
149.09523	9.7
149.13210	14.2
155.08485	2.6
157.10086	22.1
159.11626	37.5
161.09535	7.2
161.13190	24.7
163.11150	7.0
163.14749	9.9
169.10033	2.7
170.10809	2.1
171.11591	16.2
172.12260	2.5
173.13162	33.0
174.91483	2.1
175.11125	6.8
175.14764	20.6
177.12729	3.7
177.16331	6.5
179.14192	2.0
183.11606	3.3
184.12247	2.2
185.13234	18.2
187.14754	60.3
189.12648	3.3
189.16299	17.6
191.14256	8.3
195.11607	2.5
195.13634	3.3
197.13185	8.0
199.14767	19.0
201.12486	2.3
201.16313	38.2
203.14249	13.0
203.17955	3.3
205.15782	12.0
209.13126	2.1
211.14731	9.1
213.16373	14.8
215.14253	2.9
215.17900	8.8
217.15831	11.0
219.17342	1.9
221.15298	2.3
225.16344	2.6
227.17871	3.3
229.15869	13.3
231.17456	15.1
235.16795	2.8
239.17780	2.0
243.17444	2.9
247.16866	3.4
249.18492	2.3
255.21179	2.2
257.18954	1.8
260.20343	1.7
339.26483	1.8
351.26697	3.2
387.29800	3.1
405.31363	31.5
423.32330	62.9
441.33456	27.4
451.31909	31.8
459.34525	14.5
469.33017	32.6
487.34363	15.1
505.27161	11.2
505.34521	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	505.3509
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05487	10.8
57.07045	6.9
61.95460	1.1
67.05480	19.0
69.07042	14.7
71.04961	1.7
71.08579	1.2
79.05444	16.1
81.07025	38.1
83.04951	2.6
83.08586	8.1
85.06503	5.3
91.05431	21.1
93.07009	45.1
95.04951	2.1
95.08574	62.2
97.06494	5.5
97.10136	5.1
99.08044	20.0
101.05977	2.0
105.06995	74.3
106.90247	1.1
107.08556	61.6
109.06460	2.3
109.09402	1.7
109.10120	38.7
109.20930	1.0
111.08045	2.4
113.05949	2.1
115.07497	1.5
117.06960	5.9
119.08535	95.1
121.06397	1.1
121.09287	1.8
121.10103	38.2
123.08016	5.7
123.11662	23.5
125.09581	1.7
127.07493	1.5
129.05414	2.0
129.09087	1.4
130.07687	1.2
131.08521	53.2
133.06436	1.7
133.10089	57.2
135.10681	1.8
135.11639	29.8
137.09586	1.6
137.13191	7.6
143.06979	2.1
143.08479	8.5
145.10072	39.5
147.07979	1.9
147.11635	100.0
149.09604	1.6
149.13237	13.5
151.07477	9.5
151.14751	2.5
155.07030	1.2
157.08649	1.2
157.10085	10.4
158.10823	1.6
159.11632	26.9
159.87184	1.1
161.09529	1.3
161.13171	15.8
163.11197	1.7
163.14754	6.5
165.09068	7.1
169.08559	7.8
169.09906	1.3
171.11620	5.2
173.13191	21.9
175.11098	1.6
175.14760	17.4
177.12735	1.3
177.16325	8.4
179.10599	7.2
183.10068	4.6
183.11626	1.3
185.13124	11.8
187.11205	1.2
187.14751	59.3
189.16330	17.9
191.17854	1.4
193.12149	2.1
193.15804	2.1
195.17328	5.4
197.11719	1.8
199.14764	5.2
201.16310	44.7
202.16579	1.3
203.14374	1.4
203.17874	6.4
207.17336	2.0
211.13159	5.3
211.14938	1.7
213.16296	5.7
215.17883	4.7
217.19409	1.2
219.17377	7.6
221.15192	2.1
227.17920	4.5
229.19391	1.5
239.16324	52.5
241.19664	1.6
243.20956	1.4
251.16411	5.4
253.17923	5.2
255.20914	4.1
265.17871	1.9
269.22791	3.6
283.23846	1.3
287.23471	1.5
387.29086	1.9
395.32889	8.5
413.33932	5.7
415.31863	9.5
417.01611	1.5
423.32373	7.4
441.33475	43.1
459.34521	24.2
469.32648	6.5
487.34015	9.9
488.33887	1.1
505.34747	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3514
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
54.73878	1.4
55.05495	22.9
57.03418	2.5
57.07051	3.9
67.05479	32.9
69.03397	1.9
69.07039	28.7
70.30633	1.5
71.04974	2.0
79.05458	26.7
81.07023	68.8
81.93736	2.0
82.07359	3.4
83.04948	4.1
83.08587	18.0
85.06507	1.7
91.05422	21.0
93.06064	1.8
93.07001	59.8
94.07346	3.3
95.04951	2.0
95.08568	100.0
96.08878	1.9
97.06484	4.4
97.10138	11.1
99.08044	2.8
101.05962	3.2
105.06993	60.5
106.07339	3.1
107.08557	89.7
108.08892	2.9
109.06516	7.4
109.10124	63.0
111.08060	12.5
111.11655	2.3
115.07551	2.3
117.06963	3.7
119.08533	73.5
120.08887	3.5
121.06499	2.1
121.10104	68.1
122.10481	2.0
123.08007	4.3
123.11660	27.3
129.05411	3.1
129.06963	4.2
131.08540	24.7
132.08842	2.3
133.06447	3.2
133.10066	62.9
133.11041	2.4
135.08037	3.0
135.11642	36.7
136.12018	2.2
137.05911	2.2
137.09593	7.0
137.13200	8.2
139.07526	2.3
143.07092	2.2
143.08519	10.8
145.10080	42.7
146.10460	2.6
147.08047	3.2
147.11633	41.6
149.09630	4.6
149.13214	38.0
151.07507	4.4
151.11127	2.7
157.10085	10.9
158.10674	1.9
159.11644	20.4
161.09541	3.0
161.13194	25.7
163.11125	3.5
163.14787	29.1
165.09087	4.6
165.12700	3.0
167.07076	3.4
167.10706	2.1
171.11641	9.5
173.13214	21.3
174.13614	3.4
175.11128	4.1
175.14748	39.5
177.09041	2.5
177.16318	28.7
179.10635	3.2
183.11656	2.8
185.13164	17.2
187.14780	31.3
188.15154	2.7
189.16316	52.4
191.14223	2.2
191.17914	10.5
193.15796	2.2
199.14740	10.3
201.16342	12.5
203.14313	16.6
203.17877	78.1
203.19716	2.7
205.15794	8.4
213.16299	7.6
215.17799	16.7
216.18289	7.3
217.19550	4.3
219.13736	2.4
221.15306	3.0
223.16823	3.3
225.14705	2.7
229.19530	2.4
231.13826	2.2
231.21143	3.7
233.15370	2.5
233.19020	2.4
234.19185	2.3
235.16838	2.0
237.14714	3.9
241.19556	2.7
245.22629	2.2
249.14731	2.1
249.18326	3.7
251.16409	3.9
253.19681	2.8
255.15848	4.3
264.19885	2.1
270.03873	1.9
271.24268	2.3
312.29910	2.4
326.23972	2.4
395.33105	2.8
405.26443	2.9
423.32364	9.6
441.33496	48.2
444.30789	2.3
451.31686	3.4
452.32034	2.3
459.34415	48.7
469.32663	7.5
470.33572	2.4
487.34119	27.4
505.34604	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3512
Annotation	weigelic acid
Peak:m/z	Relative Intensity
55.05488	28.3
57.07064	3.4
57.71358	1.9
64.41917	1.8
67.05484	21.8
69.07043	17.6
79.05466	22.4
81.07020	63.3
83.04949	72.4
83.08577	16.1
91.05445	29.4
92.08694	3.0
93.06999	61.5
95.04922	15.9
95.08569	67.0
97.06477	2.4
105.06988	71.5
107.08551	100.0
109.06476	9.0
109.10115	37.2
111.08054	5.4
117.06975	10.3
119.08533	98.1
121.10095	46.1
123.08044	11.8
123.11650	21.8
125.09594	22.6
129.06961	5.2
131.08511	49.8
133.10080	56.8
135.07997	2.5
135.11615	22.9
143.08517	23.0
145.10077	60.8
147.11644	42.7
149.09578	3.1
149.13210	18.5
153.09103	2.8
156.09282	4.4
157.10078	25.0
159.11639	44.8
161.13205	46.1
163.14760	9.9
169.10074	5.5
170.10847	3.2
171.11653	18.1
173.13193	42.6
175.07515	3.3
175.14783	27.1
177.16339	4.4
183.11639	10.9
184.12503	3.8
185.13188	44.9
187.14746	36.1
189.16353	14.1
191.14249	3.3
191.17940	2.4
195.11592	2.2
197.13284	10.2
199.14767	31.5
201.16301	46.3
203.14211	20.6
203.17935	3.1
205.15862	9.9
209.13322	3.5
211.14790	9.9
213.16348	20.2
215.14238	4.1
215.17932	9.2
217.15735	8.6
219.17297	3.9
225.16327	4.0
227.17923	10.4
231.17386	2.6
239.17789	4.8
247.16974	4.2
249.14839	14.1
253.19518	3.7
259.16824	4.1
261.16983	2.3
262.10184	2.3
263.16245	2.2
267.20959	2.3
281.22556	3.8
282.70255	2.5
325.38733	2.3
387.29935	4.4
388.73462	2.3
389.31757	3.4
393.27493	3.0
405.31442	28.2
407.32825	3.2
411.28738	3.7
423.32397	11.2
433.31009	19.5
439.31934	2.8
451.31921	32.1
468.10992	2.4
469.32932	59.3
487.33884	3.1
505.27417	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	505.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.05495	18.6
57.07059	1.9
59.04958	1.3
62.55230	1.1
67.05482	19.2
69.03409	1.7
69.07042	20.6
71.04939	1.5
79.05469	21.2
81.07025	53.2
81.28033	1.4
83.04472	3.1
83.04952	66.1
83.08604	9.7
85.06502	1.8
91.05443	31.1
93.07014	54.0
95.04928	14.7
95.08566	68.4
97.02886	1.9
97.10133	3.0
99.08049	2.4
105.07004	67.5
107.08562	100.0
109.06480	8.5
109.10123	35.0
111.08057	6.8
117.07006	10.6
119.06052	1.5
119.08544	94.2
119.09420	3.3
121.10104	45.9
123.08044	7.9
123.11633	17.7
125.09594	24.1
126.12147	1.9
129.06964	6.3
130.07753	1.9
131.08525	51.0
133.10097	51.3
135.08034	2.0
135.11639	20.0
137.09457	1.5
137.13191	1.4
138.36198	1.3
142.07791	2.1
143.08545	22.9
145.10086	54.1
147.08049	2.2
147.11655	29.9
149.09538	2.3
149.13222	15.9
151.07645	1.5
151.11124	3.5
153.09041	5.4
155.08484	5.9
156.09300	2.4
157.10110	20.7
158.10820	2.3
159.11646	45.7
161.09555	1.8
161.13208	34.0
163.07559	1.8
163.11154	2.5
163.14760	9.5
169.10103	8.0
170.10846	5.9
171.11649	20.4
172.12323	1.9
173.13210	44.8
175.11028	1.8
175.14774	22.6
177.09023	2.2
177.16391	8.7
181.10063	1.7
183.11635	10.5
184.12483	1.9
185.13202	45.9
187.14748	35.1
187.52805	1.4
189.12552	1.6
189.16336	14.7
191.14270	8.9
191.17838	2.2
195.30742	1.4
197.13193	9.6
199.14780	28.3
201.16331	42.0
203.14207	17.6
203.17937	5.4
205.15891	9.7
209.13264	2.4
211.14763	6.4
213.16325	21.8
215.14279	2.5
215.17877	6.5
217.15820	8.3
219.13953	1.7
219.17357	5.6
223.14735	1.8
225.16348	3.2
227.17804	9.1
229.15869	2.1
231.13759	2.5
231.17352	6.7
233.15248	2.3
239.17796	6.5
241.19414	3.4
245.15321	6.8
247.16876	2.8
249.14648	11.8
253.19386	6.9
257.18692	2.9
259.16922	2.5
263.16110	1.9
267.21078	2.7
279.21045	2.1
281.22375	1.8
341.24677	1.7
349.25049	2.5
367.37161	1.6
387.29819	3.4
393.27399	2.7
405.31427	30.1
407.32883	5.8
411.28799	6.3
415.29913	2.0
423.32510	11.6
433.30856	16.0
441.32834	1.6
451.31894	34.0
469.26675	2.4
469.32971	51.3
487.33960	2.9
505.27377	7.8
505.34113	2.6
507.85541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37316	1.2
54.81053	1.5
55.01857	1.2
55.05496	24.9
57.03413	2.6
57.07054	9.5
57.31639	1.0
62.42235	1.2
66.24912	1.1
67.05480	21.6
69.03436	1.4
69.07047	42.5
71.04964	8.4
71.08582	1.1
72.81407	1.2
79.05466	21.1
81.07029	55.7
83.04952	5.9
83.08588	22.6
85.02902	1.9
85.06530	2.0
91.05453	19.7
93.07008	100.0
95.04933	17.7
95.08570	65.6
97.06489	8.4
97.10131	5.7
99.08073	8.6
105.06989	34.8
107.08556	55.4
109.06491	6.3
109.10123	39.0
111.08043	13.2
111.11675	1.7
115.07504	1.6
117.06985	5.4
119.08540	56.8
121.06452	2.4
121.10104	38.9
123.08038	8.5
123.11662	20.4
125.06023	1.7
125.09605	6.7
129.06953	2.4
130.07806	1.9
131.08531	26.1
133.10092	42.5
135.08020	2.3
135.11658	19.2
137.09616	3.0
137.13242	5.7
139.11137	2.8
142.07738	2.3
142.51065	1.4
143.08539	7.6
144.09290	1.9
145.10072	31.2
147.11635	42.0
149.09618	2.6
149.13223	22.1
151.07487	3.0
157.10071	11.5
159.11620	22.9
161.09534	2.2
161.13190	12.3
163.11142	2.6
163.14804	10.4
165.09085	1.9
167.14290	2.0
169.10034	2.2
170.10864	1.7
171.11641	7.6
173.09529	1.8
173.13210	16.1
175.11174	2.2
175.14792	13.1
177.16310	5.3
183.11658	2.4
185.11809	1.5
185.13196	11.3
187.14764	30.1
189.12738	1.8
189.16359	11.0
199.14806	8.0
201.16336	19.9
203.14209	3.1
203.17900	2.7
205.15863	2.4
213.16347	2.2
215.14323	2.4
215.17957	3.2
219.17390	1.9
227.14377	1.4
229.19492	1.7
239.16254	9.9
271.24225	2.0
289.24966	9.8
293.70963	1.4
295.26175	3.2
307.26236	26.0
325.27258	10.2
387.24850	1.7
405.26279	6.2
405.31369	5.2
413.33755	1.6
423.32458	7.0
433.30591	1.7
441.33453	13.6
451.31903	8.7
459.34393	8.0
469.33081	11.0
487.33722	2.6
505.20279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.2
53.03908	2.1
55.01848	2.8
55.05495	17.3
57.03403	2.0
57.07043	8.5
59.04968	2.2
61.51040	1.1
63.67591	1.2
63.84350	1.1
64.32727	1.4
67.05477	22.1
67.83401	1.2
69.03385	5.8
69.06675	2.4
69.07037	49.4
70.20078	1.1
71.04948	6.9
71.08594	1.4
79.05456	17.9
79.46970	1.4
79.54258	1.4
81.06553	2.0
81.07024	57.7
82.07341	1.3
83.04945	8.8
83.08575	21.3
85.02868	5.7
87.00765	1.9
91.05446	19.1
93.07001	100.0
95.04910	16.2
95.08560	55.7
96.08900	1.5
97.06469	5.7
97.10100	2.8
99.08057	2.0
105.06979	27.2
105.14908	1.6
107.08550	41.3
109.06448	6.5
109.10120	28.5
111.08048	19.4
111.11711	1.8
114.81305	1.9
117.06953	6.2
119.08530	24.4
121.10090	35.1
123.11634	17.4
125.09605	3.6
131.08511	14.6
132.92711	1.4
133.10037	16.6
135.11621	16.7
135.25702	1.5
137.13220	1.7
139.11148	5.8
143.08350	1.5
145.10080	12.6
147.11627	20.9
149.09596	2.0
149.13208	17.4
151.11115	2.9
157.10016	5.8
159.11623	13.1
161.13223	6.9
163.14767	5.6
165.12741	1.5
171.11646	6.0
173.13199	7.9
175.14746	7.2
177.16260	2.9
185.13229	4.7
187.14787	9.5
188.68782	1.4
189.16367	5.6
195.17245	2.4
199.14700	3.3
201.16299	3.1
203.17804	5.3
213.16319	2.3
225.16302	1.4
269.22443	1.4
271.24130	5.7
277.25238	1.6
289.25208	10.6
292.38004	1.6
295.26160	7.4
307.26160	39.7
325.27219	16.6
328.94196	1.4
343.28082	1.7
365.27890	1.8
421.18631	1.5
441.33231	2.4
465.10007	1.5
469.32794	2.0
505.27512	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2632
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.03928	0.6
55.05492	6.6
57.03408	2.2
57.07049	2.4
58.79498	0.4
59.04965	1.8
60.35650	0.4
66.86070	0.4
67.05483	12.5
69.03407	7.8
69.07045	14.0
71.04955	3.1
71.08583	0.7
73.02883	2.1
74.72116	0.4
79.05450	2.6
79.19180	0.5
80.07299	0.4
80.72288	0.4
81.06547	0.7
81.07024	18.3
83.04941	7.9
83.08598	6.4
85.02871	4.9
85.06521	3.0
85.52407	0.4
91.05443	0.7
93.07000	9.3
95.04927	0.9
95.08567	29.9
97.02837	0.9
97.06477	1.1
97.10134	2.8
99.08070	2.6
105.07011	5.0
107.08559	19.9
109.06486	10.1
109.10120	100.0
111.08035	3.5
113.09627	1.9
115.03989	0.5
119.08540	30.7
119.09396	1.2
121.10107	10.5
123.08032	12.3
123.11649	8.9
125.09587	0.8
127.03919	0.7
129.90312	0.4
133.10088	19.3
135.11644	86.5
137.09573	15.0
139.11134	1.8
144.68344	0.5
147.11632	2.1
149.13222	7.4
151.11150	7.7
151.14771	11.7
153.12711	2.9
165.16318	3.1
165.17577	0.5
175.14755	30.8
193.15813	47.5
211.16864	62.5
373.22021	1.0
380.25623	0.5
398.60901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02266	0.6
53.03918	2.9
55.01847	1.4
55.05241	0.9
55.05495	16.5
56.76166	0.7
57.03403	1.8
57.07058	10.8
59.04956	1.2
67.05483	17.4
69.03397	4.1
69.07043	50.8
69.07419	1.8
71.04956	3.9
71.08584	2.8
79.05469	11.8
81.03395	1.1
81.07025	44.1
83.04938	1.2
83.08595	21.3
85.02873	3.3
85.06512	1.1
87.04429	1.9
91.05459	13.8
92.09315	1.2
93.07008	100.0
95.04929	20.7
95.08570	44.4
95.09035	0.9
97.06485	6.3
97.10136	5.3
99.08038	0.9
105.06997	11.5
107.07892	1.4
107.08565	24.1
109.06495	4.2
109.10117	23.6
111.08040	13.5
111.11709	1.4
113.09520	1.0
117.06974	1.3
119.08531	10.2
120.70441	0.7
121.06475	1.3
121.10100	29.3
123.08031	3.8
123.11663	15.7
125.09579	1.8
127.03870	1.1
131.08516	4.1
133.10115	8.6
135.11658	5.8
137.09567	1.7
137.13225	2.8
139.11131	3.3
144.09207	0.7
145.10057	6.2
147.11652	4.9
149.09575	1.5
149.13217	9.6
151.11084	1.4
159.11650	8.0
161.13216	4.1
163.11075	1.6
163.14754	3.5
167.10667	1.4
167.14215	3.0
173.13173	1.5
175.14758	1.6
177.12701	1.1
177.16345	1.5
185.15306	3.1
187.14818	1.1
193.40704	0.8
201.16324	1.0
209.18922	1.1
215.17871	1.2
217.19333	0.9
253.54808	1.0
271.24133	4.9
289.25168	12.4
295.26172	5.9
307.26196	50.4
314.92664	0.7
325.27228	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	505.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15031	0.9
53.00267	1.3
53.03916	4.6
53.79616	0.9
53.99820	0.9
55.01836	2.0
55.05486	17.8
56.96545	1.4
57.03405	2.8
57.07045	7.1
59.04966	2.1
61.02855	1.2
67.05477	21.2
67.49009	1.2
69.03397	12.1
69.06683	1.5
69.07039	39.1
71.04961	13.0
71.08578	2.4
73.02873	2.6
74.59640	1.0
79.05453	20.5
81.03356	7.7
81.07018	100.0
83.04933	6.9
83.08595	14.4
85.02873	18.7
85.06488	7.8
86.09632	1.1
87.00802	8.8
91.05434	24.0
93.06420	2.3
93.06997	53.8
95.04906	8.1
95.07941	2.5
95.08559	67.8
96.08075	1.2
96.94569	1.1
97.02843	5.8
97.06483	11.4
97.10096	4.9
98.97520	1.9
99.04417	1.6
99.08031	8.4
101.05951	1.6
103.05401	1.2
105.01803	5.5
105.06989	54.9
106.07273	1.6
107.08554	65.2
108.08864	1.6
109.02844	5.7
109.06462	6.9
109.10107	42.5
110.10377	1.1
111.08022	16.2
111.11679	2.8
112.36092	0.9
116.10674	1.6
117.06937	7.8
119.08527	76.4
120.08864	2.2
121.06462	2.3
121.09279	1.8
121.10088	30.8
123.08038	6.0
123.11652	24.7
125.09559	6.6
127.03888	8.0
127.11143	8.5
128.06151	1.4
129.06966	2.0
131.08525	26.5
133.10077	38.0
133.95534	1.1
134.10411	2.1
135.08002	4.7
135.10678	2.3
135.11641	40.4
137.05991	1.4
137.09528	2.2
137.13193	7.5
139.11131	4.3
142.07686	1.5
143.08508	8.2
144.09306	1.4
145.05000	1.9
145.06476	1.4
145.10072	30.7
147.07973	2.3
147.10474	1.4
147.11636	36.0
148.11981	2.5
149.09607	2.4
149.13187	18.2
151.11125	6.0
153.12717	12.1
155.14217	1.1
156.09232	2.4
157.10049	11.1
159.11626	26.8
161.09538	2.1
161.13194	20.7
163.03853	2.8
163.11102	6.7
163.14821	11.1
165.12737	2.1
169.10056	1.7
171.11591	11.2
172.12314	1.3
173.13202	19.9
175.11168	2.1
175.14778	14.4
177.12669	1.8
177.16290	4.3
179.14165	2.0
181.12111	1.9
183.11633	5.2
185.13094	9.4
187.14734	19.6
189.10573	1.2
189.12659	2.8
189.16260	8.8
191.14293	10.0
191.17839	1.4
193.15800	1.7
195.11578	1.1
197.13203	2.8
199.14714	4.8
201.16277	18.0
203.14275	5.7
203.17891	21.9
205.15833	6.7
209.13271	2.0
211.14787	2.0
213.16258	5.1
215.14073	1.6
215.17931	4.9
217.15729	1.4
219.17287	7.4
221.15280	5.5
221.18907	16.2
226.14270	2.1
227.17775	1.9
229.15945	1.4
229.19608	1.2
235.16733	1.1
243.02809	1.7
244.15266	4.6
245.15509	1.4
249.14870	1.2
265.17850	1.7
271.23959	1.6
289.25302	13.4
295.26105	1.8
307.26111	13.0
325.27142	5.1
393.31421	1.4
405.31345	2.2
411.28519	2.4
423.32333	11.1
441.23785	1.3
441.33133	4.8
451.31778	7.0
469.33038	13.0
487.33823	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14568	0.7
53.00293	0.9
53.03922	4.1
55.01857	4.3
55.05497	15.4
57.03412	2.2
57.07058	9.2
61.02891	1.8
67.05479	20.3
69.03402	10.5
69.06675	1.7
69.07040	32.0
71.04958	11.5
71.08607	1.8
73.02876	1.3
78.70908	0.8
79.05461	20.9
81.03382	7.4
81.07025	100.0
82.07368	0.9
83.04942	3.6
83.08599	16.8
85.02874	17.5
85.06502	11.7
86.09655	0.9
87.00798	10.3
89.62067	0.8
89.99824	0.8
91.05430	12.1
92.08660	1.0
93.07008	40.7
95.04919	4.2
95.08574	57.2
97.02848	8.3
97.06470	6.6
97.10128	5.7
99.04401	1.5
99.08036	3.4
102.67953	0.9
105.01831	3.6
105.06992	29.5
107.08561	49.0
109.02844	1.9
109.06493	6.7
109.09399	1.6
109.10121	34.2
109.10872	1.3
111.07320	1.7
111.08045	30.8
111.11690	4.1
113.09654	1.1
117.06992	2.1
119.08535	33.5
121.06477	1.0
121.10095	23.6
123.08023	3.8
123.11664	28.8
125.09584	1.5
127.03876	6.3
127.11135	7.5
131.08514	8.0
133.10088	23.5
135.04419	1.4
135.07983	3.2
135.11647	38.1
137.09592	1.7
137.13260	10.8
139.11140	3.4
141.12688	1.0
143.08530	3.9
145.04912	1.5
145.10062	9.1
147.11636	20.7
149.09639	1.2
149.13200	12.9
151.11201	3.8
153.12735	3.6
157.10112	4.3
159.11647	10.5
160.12344	0.9
161.09596	1.3
161.13196	8.9
163.03929	1.2
163.11099	4.0
163.14789	5.4
165.12701	3.9
171.11646	2.2
173.13185	6.3
175.14769	4.6
177.12756	1.0
177.16324	4.7
183.11696	1.2
185.13240	3.4
187.14740	3.5
189.16310	5.2
199.14679	1.1
200.49677	0.9
201.16321	1.8
203.17885	18.9
207.17381	1.2
209.18954	4.3
209.84235	0.9
213.16223	1.0
215.17841	1.8
220.56602	0.9
221.18935	13.4
271.24088	5.3
272.33023	1.0
277.25208	4.7
289.25156	17.5
295.26297	1.2
307.26163	23.0
325.27258	13.0
343.28174	1.2
451.31863	1.3
469.33035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.1
53.03923	3.6
55.01842	5.2
55.05495	15.3
57.03413	5.4
57.07047	3.8
61.02903	5.2
64.32930	1.0
67.05479	16.4
68.99751	1.9
69.03410	19.8
69.07044	18.4
71.04967	22.5
73.02887	3.4
73.30968	0.8
79.05473	26.5
81.03384	14.1
81.07026	100.0
82.07327	1.2
83.04942	1.6
83.08578	7.3
85.02877	40.6
85.06518	2.1
87.00801	25.8
89.03882	1.2
91.05440	16.6
93.06424	1.9
93.07006	48.0
95.04922	4.3
95.08570	47.1
97.02853	21.0
97.06501	6.5
97.10126	3.7
99.04417	5.4
99.08062	4.8
105.01834	14.0
105.06998	45.2
107.04897	1.5
107.08562	68.2
109.02864	10.3
109.06487	2.1
109.10126	38.4
111.04415	1.8
111.08047	3.7
115.03870	3.2
117.03355	4.4
117.06972	4.1
119.08537	55.2
121.06468	1.6
121.10101	19.3
123.08022	3.5
123.11674	23.7
125.09585	4.4
125.13272	0.8
127.03867	16.6
127.11140	15.3
129.06979	1.3
131.08505	6.2
133.10091	33.7
135.04398	10.0
135.11649	84.2
137.05934	1.5
137.09520	1.4
137.13214	8.7
142.07747	1.0
143.08505	4.3
143.10616	4.9
145.02815	4.8
145.04945	5.2
145.06285	0.8
145.10081	12.4
147.11646	32.8
149.13219	8.6
151.11153	1.7
153.12743	4.9
157.10101	4.6
159.02847	4.7
159.11621	9.2
161.13219	12.8
163.03867	26.4
163.14743	2.0
165.12697	1.4
169.10049	1.3
171.11647	3.5
173.13206	4.2
175.11147	1.0
175.14801	2.0
177.16438	3.2
187.14810	2.0
189.16368	1.5
191.14188	1.0
195.11592	1.2
199.14702	1.0
201.16301	2.2
203.17900	46.9
205.19493	1.1
213.16292	1.3
221.18929	40.4
225.12631	1.4
231.04865	1.2
239.19989	3.7
307.26410	1.4
311.20139	1.2
329.21210	1.2
335.08914	0.9
415.20920	1.1
451.23129	1.8
505.37280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2629
Annotation	Foliasalacioside B2
Peak:m/z	Relative Intensity
51.06532	0.4
53.00266	0.6
54.44122	0.4
55.05492	4.5
56.47945	0.4
57.03415	4.5
57.07042	1.9
59.04971	0.9
61.02897	0.9
61.36096	0.4
67.05482	5.7
69.03405	4.9
69.07038	11.8
70.07372	0.5
71.04952	3.3
71.08611	0.7
73.02876	2.2
79.05452	3.3
79.36488	0.4
81.03380	2.1
81.07023	15.7
83.04942	2.7
83.08585	3.8
85.02872	11.8
85.06508	2.6
89.05981	0.6
91.05419	2.5
93.07005	10.2
94.07327	0.8
95.04922	1.2
95.08561	21.0
97.02834	3.7
97.06495	4.0
97.10088	0.6
99.08033	1.0
105.06992	5.2
107.07869	0.9
107.08552	12.5
109.02842	0.7
109.06474	5.1
109.10116	33.7
111.07327	0.9
111.08038	16.2
113.05923	0.6
119.08533	19.3
121.06530	0.6
121.10092	13.7
122.10419	0.7
123.08013	16.9
123.11656	14.1
125.09566	2.6
127.03838	0.8
131.08514	0.5
131.97726	0.6
133.10077	19.1
135.11638	20.4
137.09564	39.0
137.13179	2.3
138.10347	3.1
139.11122	2.5
144.73531	0.5
145.02649	0.5
145.04929	0.8
147.11638	3.5
149.13228	6.9
151.11127	3.1
151.14784	4.7
163.03857	0.8
165.12695	5.8
165.16356	2.7
175.14755	27.6
177.05426	1.0
178.05708	1.0
193.15823	20.9
211.16847	100.0
212.17303	0.5
225.69893	0.6
244.44382	0.6
263.71643	0.7
271.24197	0.5
289.24951	0.6
307.26144	4.1
373.21988	0.8
485.94357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97831	0.9
53.03921	1.3
54.81277	1.1
55.01857	1.2
55.05490	6.8
57.03409	7.3
60.40934	0.9
61.02901	9.3
69.03400	18.5
71.04941	1.2
73.02895	6.0
73.06528	60.3
81.03372	7.2
83.04951	1.2
85.02874	100.0
87.04434	2.0
88.40801	1.1
91.03904	5.2
97.02853	21.7
98.97523	9.1
99.04392	5.5
99.08021	1.6
99.39648	1.0
109.02849	8.9
110.97577	1.5
114.23010	1.4
116.98575	6.2
117.03338	1.1
121.06462	4.8
127.03863	21.6
128.98515	2.0
134.99655	1.5
135.04382	5.0
136.06129	2.4
145.02779	2.1
145.04915	26.7
146.99628	1.4
152.06956	1.2
163.03856	19.8
163.05933	11.7
164.04208	1.8
167.06903	1.9
177.00621	1.0
203.02371	1.3
219.01788	1.5
228.29425	1.2
237.02690	5.2
253.12756	9.1
265.03857	1.2
367.06436	1.7
405.07248	1.2
413.18649	1.1
445.10016	2.5
454.50055	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65822	0.4
55.98297	0.3
56.96546	0.5
69.03389	0.7
74.02373	0.8
85.02868	2.4
89.03886	0.7
91.05421	0.8
92.09338	0.4
95.29665	0.4
97.02856	0.7
98.97552	1.0
115.05417	0.9
116.98605	0.6
117.06992	0.8
118.06498	27.2
122.12551	0.5
128.75366	0.4
130.06421	0.8
130.71198	0.5
130.98380	0.5
132.08028	7.9
135.04367	2.6
142.06461	2.4
143.07256	3.9
144.08032	20.5
145.02765	0.8
146.05960	93.3
159.09100	10.0
160.07558	0.6
163.03848	7.3
170.05965	6.4
188.06995	100.0
205.09650	24.6
237.02718	2.2
239.95624	0.5
318.94330	0.5
505.16089	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	504.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63589	3.0
55.05494	28.4
57.07052	5.1
58.64312	3.1
59.94126	3.1
67.05482	13.8
69.07045	46.5
71.08620	7.0
74.29703	3.2
76.32655	3.9
79.05453	16.1
81.07029	38.1
83.08588	21.4
91.05445	16.6
93.07014	53.8
95.08567	58.8
97.06487	5.4
97.10139	3.8
99.08028	4.7
105.06999	48.5
105.17518	3.3
107.07880	5.7
107.08555	96.4
109.06513	6.1
109.10109	33.1
111.08077	3.7
117.06983	6.5
119.08533	95.7
121.06474	4.2
121.10098	62.7
123.11641	14.4
129.06953	5.6
131.08533	41.3
133.10095	66.7
135.07922	4.9
135.11620	30.7
137.13170	4.7
139.71132	3.4
143.08514	27.7
145.10078	83.1
147.07945	4.9
147.11629	47.7
149.09589	6.2
149.13229	15.1
151.14778	4.1
152.41957	4.2
153.09065	6.3
155.08463	5.4
157.10091	34.7
159.11612	44.8
161.09563	5.7
161.13197	25.1
163.11124	5.9
163.14786	7.8
167.10600	4.1
169.10040	11.7
171.11586	25.9
173.13196	50.8
175.14767	47.5
177.16176	6.3
179.10651	4.4
183.11642	7.9
185.13200	64.7
187.14771	78.4
189.16364	19.3
197.13239	6.2
199.14717	35.8
201.16284	35.5
203.14250	26.9
211.14714	13.5
213.16339	21.7
223.14847	7.1
225.16248	5.4
227.17924	6.6
229.15836	4.8
233.15283	5.0
234.57008	4.3
245.15263	4.7
249.14716	21.5
285.18286	5.3
293.22498	4.1
332.57559	3.7
338.62695	3.7
339.22992	4.5
381.31332	3.6
405.31439	37.6
423.32410	100.0
425.33771	22.2
433.31097	7.6
441.33350	20.8
451.31894	44.1
469.33112	68.4
487.33923	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	504.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80502	3.7
55.05486	7.5
55.54913	2.7
67.05488	24.9
69.07040	21.1
69.53286	3.1
72.98341	3.5
79.05459	20.0
81.07029	51.0
83.08571	4.3
85.55893	3.5
86.78822	2.9
91.05421	24.9
93.07008	65.3
95.04929	14.2
95.08572	60.0
97.06510	3.5
99.08041	16.4
105.06998	61.9
106.07345	4.4
107.07904	5.6
107.08566	100.0
109.06438	3.9
109.10110	31.3
117.06995	13.5
119.08533	76.5
119.67574	3.4
120.08883	3.7
121.10107	65.0
123.04364	21.9
123.11666	7.9
129.06947	4.5
131.08525	30.9
133.10066	51.7
134.10425	4.2
135.08055	4.3
135.11658	35.8
137.09514	5.5
143.08601	24.8
145.10094	52.5
147.08006	3.8
147.11662	40.3
149.13199	24.4
151.11189	3.9
155.08498	3.5
156.09177	4.0
157.10081	31.1
159.11629	58.4
160.12022	4.0
161.09535	3.7
161.13222	36.9
163.14752	30.7
169.10051	7.3
171.11641	29.0
173.13214	40.4
174.13594	3.8
175.11124	3.5
175.14799	30.3
177.16284	13.9
179.14349	5.7
183.11598	18.3
185.13213	21.6
187.14720	47.3
189.16313	20.8
191.17953	6.8
197.13213	14.6
199.14716	15.4
201.12639	4.4
201.16319	27.5
203.14302	6.0
203.17830	4.0
205.15791	13.8
209.13185	4.0
211.14749	7.6
213.16306	14.2
215.17654	5.2
217.15807	4.5
227.17857	7.4
231.17308	5.6
237.16481	5.3
245.18982	4.2
253.19426	17.8
321.25797	6.1
339.26682	8.2
375.30066	7.7
393.31418	43.4
405.31122	3.5
411.32458	70.1
421.30890	5.7
422.31296	6.1
423.32565	7.5
433.30981	4.4
439.31949	40.6
440.32510	11.8
441.33533	17.6
444.68713	3.9
451.31802	18.1
457.32669	7.8
458.33542	6.3
469.32825	17.4
487.34213	75.8
526.95087	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	504.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93311	4.2
51.01446	4.4
52.88263	4.8
53.03920	5.8
55.05496	58.0
55.95348	5.7
56.06196	4.7
56.30730	4.9
57.07051	12.6
58.35496	4.8
62.22876	5.7
62.28584	4.6
62.83855	5.1
67.05474	50.5
69.07029	49.8
71.04950	24.9
79.05458	33.0
81.03385	52.6
81.07022	77.6
83.08606	40.7
85.02854	24.2
91.05441	37.8
93.07004	84.8
93.51367	5.4
95.04916	53.6
95.08565	88.4
97.10123	11.2
105.06983	66.6
107.04924	5.8
107.08562	100.0
109.10117	69.8
115.23872	6.0
119.08522	83.5
121.10082	58.4
123.04373	39.3
123.08040	6.9
123.10153	6.0
123.11672	25.4
131.08549	47.0
133.10040	57.8
135.11638	53.9
137.13185	8.5
141.48253	6.4
143.08449	11.1
145.10094	45.8
146.17987	5.8
147.11644	37.8
149.02368	8.5
149.09552	6.5
149.13242	22.6
151.07495	12.8
155.08551	8.3
157.10123	20.4
159.11664	34.8
161.13228	33.4
163.14630	10.2
171.11610	9.6
173.13199	12.1
175.11061	11.3
175.14755	23.4
177.12679	22.6
185.13243	8.3
191.17873	30.1
201.16298	8.4
203.17838	8.8
262.06094	6.8
381.31473	9.0
487.33838	29.5
504.30264	8.0
504.37164	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.05490	9.2
57.07040	2.5
67.05474	7.0
69.03407	1.6
69.07046	3.5
79.05463	3.8
81.07024	22.7
83.08558	3.8
91.05447	13.4
93.07014	25.3
95.04961	1.8
95.08575	26.9
97.06490	6.5
99.08065	11.6
105.06990	39.6
107.08554	41.7
109.10135	16.6
117.02063	1.8
117.06966	3.1
119.07747	3.6
119.08534	63.2
121.10095	26.0
123.11672	7.9
124.12027	1.7
125.05930	2.0
131.04901	6.6
131.08530	28.2
133.10081	43.7
135.07968	1.9
135.11638	42.8
137.09666	2.5
137.13173	2.3
143.08496	9.9
145.10059	25.7
147.07990	9.0
147.11639	34.1
148.11972	2.3
149.05925	21.4
149.13248	3.4
151.11136	3.6
155.08466	2.5
157.10083	10.1
158.10706	1.6
159.07996	2.4
159.11642	19.1
161.09570	2.2
161.13182	13.4
163.07545	2.1
163.14790	10.8
169.10072	8.7
171.11603	9.2
173.13202	27.3
175.14795	9.6
177.12737	2.7
177.16270	2.7
183.11613	9.4
185.13243	10.3
187.14735	14.7
188.69716	1.7
189.16307	76.0
195.11725	2.5
197.13188	2.8
199.14804	15.9
201.12648	7.5
201.16348	8.3
203.14406	2.5
205.15753	16.5
207.17366	85.5
211.14810	2.5
213.16307	9.4
214.16783	3.1
217.15802	7.5
219.13698	27.1
223.16908	2.1
225.16260	3.1
231.17357	1.8
269.91238	1.8
271.20636	2.4
283.20541	7.3
301.21371	2.3
351.26508	2.6
369.27771	2.3
405.31351	7.3
422.30978	3.7
423.32373	19.4
441.33478	100.0
443.34637	2.0
451.31970	6.4
458.33145	2.2
468.31961	2.0
469.33633	2.2
487.33990	49.6
488.33786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.05490	9.2
57.07040	2.5
67.05474	7.0
69.03407	1.6
69.07046	3.5
79.05463	3.8
81.07024	22.7
83.08558	3.8
91.05447	13.4
93.07014	25.3
95.04961	1.8
95.08575	26.9
97.06490	6.5
99.08065	11.6
105.06990	39.6
107.08554	41.7
109.10135	16.6
117.02063	1.8
117.06966	3.1
119.07747	3.6
119.08534	63.2
121.10095	26.0
123.11672	7.9
124.12027	1.7
125.05930	2.0
131.04901	6.6
131.08530	28.2
133.10081	43.7
135.07968	1.9
135.11638	42.8
137.09666	2.5
137.13173	2.3
143.08496	9.9
145.10059	25.7
147.07990	9.0
147.11639	34.1
148.11972	2.3
149.05925	21.4
149.13248	3.4
151.11136	3.6
155.08466	2.5
157.10083	10.1
158.10706	1.6
159.07996	2.4
159.11642	19.1
161.09570	2.2
161.13182	13.4
163.07545	2.1
163.14790	10.8
169.10072	8.7
171.11603	9.2
173.13202	27.3
175.14795	9.6
177.12737	2.7
177.16270	2.7
183.11613	9.4
185.13243	10.3
187.14735	14.7
188.69716	1.7
189.16307	76.0
195.11725	2.5
197.13188	2.8
199.14804	15.9
201.12648	7.5
201.16348	8.3
203.14406	2.5
205.15753	16.5
207.17366	85.5
211.14810	2.5
213.16307	9.4
214.16783	3.1
217.15802	7.5
219.13698	27.1
223.16908	2.1
225.16260	3.1
231.17357	1.8
269.91238	1.8
271.20636	2.4
283.20541	7.3
301.21371	2.3
351.26508	2.6
369.27771	2.3
405.31351	7.3
422.30978	3.7
423.32373	19.4
441.33478	100.0
443.34637	2.0
451.31970	6.4
458.33145	2.2
468.31961	2.0
469.33633	2.2
487.33990	49.6
488.33786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07867	0.8
55.05497	5.2
57.07052	1.8
67.05476	4.2
69.07042	4.4
75.09666	1.1
76.55248	0.8
79.05473	7.4
79.05875	0.8
81.07018	11.8
83.04964	0.8
83.08578	2.1
85.06509	1.0
91.05441	9.1
92.08683	1.2
93.07001	15.6
95.04951	1.2
95.08569	20.2
97.06493	3.5
99.08057	6.8
105.06996	33.8
107.04922	0.8
107.08559	26.9
109.06449	1.6
109.10130	10.4
111.08041	2.1
117.06984	3.6
119.08528	41.6
121.06461	1.2
121.10094	12.2
123.08013	2.1
123.11684	5.2
125.05991	3.3
129.07002	1.3
131.04898	3.8
131.08524	16.7
133.06427	1.2
133.10080	24.7
134.10458	1.1
135.07961	1.1
135.11644	37.0
137.09593	1.8
143.08488	6.2
145.10066	12.4
146.10468	1.1
147.07991	9.5
147.11646	20.9
149.05919	20.7
149.13220	6.8
151.11148	5.1
157.10068	4.7
159.11662	8.7
161.13147	6.3
163.11154	0.9
163.14784	9.1
165.12700	1.2
169.10042	1.5
171.11583	2.2
173.13202	17.6
175.11133	5.1
175.14752	5.1
177.12723	1.6
183.11615	4.5
184.12062	1.3
185.13246	6.3
186.13474	1.1
187.14743	8.0
189.16319	70.9
190.16765	1.1
197.13159	1.3
199.14751	5.2
200.15268	0.9
201.12646	6.5
201.16328	4.0
203.14288	4.9
205.15854	4.0
207.17375	100.0
211.14778	1.9
213.16283	3.8
217.15831	3.3
219.13712	23.7
225.16258	1.0
237.14691	1.7
241.19342	1.0
301.21451	1.2
371.49374	1.1
405.31461	1.8
422.31146	1.4
423.32449	8.5
425.33942	1.9
441.33456	78.2
442.33813	1.0
443.34900	1.8
450.29996	1.0
469.32782	3.6
486.33078	1.9
487.34036	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.8
55.01854	2.1
55.05495	20.5
57.03410	6.0
57.07064	8.0
58.99730	1.0
61.02900	12.6
63.36573	0.9
67.05482	70.3
69.03403	1.5
69.07043	14.8
71.04960	5.9
73.02885	1.9
79.05004	2.5
79.05464	78.8
81.07027	79.4
83.04942	1.9
83.08582	8.2
85.02894	12.8
85.06499	6.0
87.22637	1.3
91.03916	2.8
91.05441	41.5
93.07008	100.0
95.04918	5.7
95.08573	61.1
97.02860	4.9
97.06475	6.0
98.99819	1.1
99.08047	6.3
105.06995	29.8
107.08565	52.3
109.06465	1.8
109.10121	28.4
111.08021	6.4
114.60405	1.2
117.06995	18.5
119.08524	26.4
121.10099	54.2
123.08009	4.5
123.11631	14.5
125.09592	2.0
129.06979	1.3
131.08531	40.9
133.10075	30.4
135.08005	2.6
135.10675	2.3
135.11649	50.9
137.09581	4.5
137.13206	5.0
139.11092	1.8
143.08548	2.2
143.65054	1.1
145.10083	34.0
147.11632	18.1
149.09541	4.8
149.13222	31.4
151.11174	2.4
157.10095	2.4
159.11641	30.3
161.13206	5.9
163.11130	4.6
163.14778	1.6
171.11606	1.7
173.13202	19.1
175.14815	2.4
187.14771	9.6
189.16296	5.4
191.14262	1.3
201.16321	1.5
205.15884	1.4
205.19460	6.5
215.17880	63.9
233.18919	66.5
307.22595	7.3
325.23642	23.8
416.07645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69914	1.0
53.03920	2.1
55.05490	14.9
57.03418	2.6
57.07061	1.6
61.02907	1.4
62.09613	1.1
65.06083	1.1
67.05479	26.4
68.99746	1.5
69.03392	9.2
69.07050	12.7
71.04966	6.3
71.08590	1.4
73.02879	1.5
77.03910	1.8
78.04511	1.2
79.05448	12.9
81.02945	1.1
81.03384	7.9
81.07019	63.0
83.08575	9.1
84.83714	1.2
85.02876	29.9
86.87886	1.2
87.00793	13.1
91.05439	16.4
93.07001	34.3
95.04886	2.1
95.08566	69.0
97.02840	12.1
97.06487	2.6
97.10119	1.6
99.04419	2.7
103.05452	1.4
105.01834	15.8
105.06991	58.0
107.08554	51.8
109.02849	8.6
109.06488	2.0
109.10122	53.7
110.68448	1.1
111.08051	1.5
116.10648	1.5
117.01779	1.5
117.06933	2.2
119.08533	61.3
121.10103	30.3
123.11651	20.3
127.03864	19.4
131.08510	2.1
133.10081	51.0
135.11639	27.6
136.07201	1.2
145.04909	6.1
145.10060	8.7
147.11641	59.3
149.13181	10.7
153.12737	2.3
157.42796	1.4
159.02861	2.6
159.06348	1.2
159.11642	2.9
161.13217	17.0
171.11600	1.7
173.13214	1.6
175.14746	7.9
196.16844	1.4
203.17892	100.0
214.17982	14.6
221.18941	11.1
231.04942	5.8
249.06064	5.0
284.09662	2.1
423.44937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	1.3
53.03931	2.4
55.01855	5.3
55.05498	12.1
57.03408	5.8
57.07060	2.2
58.16270	0.9
61.02896	2.2
67.05489	14.3
68.99750	1.4
69.03405	22.1
69.07047	16.7
71.04967	18.1
73.02875	1.9
73.06490	1.5
79.05471	13.0
81.03387	13.4
81.07028	75.5
82.07353	1.8
83.04934	2.4
83.08581	6.6
85.02873	36.8
85.06522	2.1
87.00803	24.8
91.05450	14.7
93.07011	42.8
94.07350	1.6
95.04937	4.4
95.08572	51.9
96.08906	1.9
97.02849	15.9
97.06502	5.3
97.10114	2.9
99.04419	2.9
99.08029	5.1
101.05964	1.4
103.20142	1.1
105.01824	16.8
105.06996	62.0
106.07332	2.8
107.08561	56.3
108.08897	2.1
109.02860	10.2
109.06463	5.7
109.10126	50.7
110.10451	1.5
111.08078	4.7
111.11691	1.5
117.01811	1.3
117.06984	5.1
119.08537	100.0
120.08857	4.9
121.06455	2.3
121.10105	24.0
122.10406	2.9
123.08026	5.0
123.11671	14.4
125.09611	2.3
127.03864	20.3
127.11146	22.2
129.07002	1.3
131.08511	20.0
132.08922	1.7
133.10094	34.2
134.10378	6.8
135.08017	2.0
135.11642	55.4
136.12022	1.7
137.13232	1.8
142.07721	1.7
143.08517	5.6
144.08859	1.2
145.04976	4.3
145.10075	32.9
146.10439	7.5
147.07997	1.9
147.11646	42.3
148.11998	2.0
149.09566	2.1
149.13206	12.2
150.13513	1.4
157.10042	10.0
158.10493	1.5
159.02844	1.9
159.11639	18.7
160.11996	5.3
161.09537	2.7
161.13191	14.7
163.14827	4.4
169.10060	2.2
171.11610	10.7
173.13190	16.8
174.13545	5.9
175.14743	11.0
176.15100	1.6
177.12640	1.8
177.16367	4.9
181.09990	1.3
183.11665	2.2
185.13194	8.1
187.11086	2.1
187.14760	26.8
188.15172	6.8
189.03899	1.4
189.12723	2.5
189.16307	8.3
190.16608	1.5
195.11679	1.7
197.13205	2.0
199.14743	5.9
201.16338	17.1
202.16631	9.2
203.17905	50.0
204.18309	2.0
205.15843	1.7
211.14751	1.7
213.16315	4.6
214.16588	1.5
215.14217	1.5
215.17816	2.6
217.15834	4.4
219.13695	1.8
219.17383	1.5
221.18941	54.5
227.17946	2.3
231.05066	1.7
233.15288	1.4
241.19505	1.7
394.31555	1.5
399.88690	1.4
410.31055	1.7
421.30762	1.6
422.30930	1.8
439.32071	7.0
440.32257	7.3
450.30997	1.5
457.33105	11.3
458.33420	11.8
468.31546	1.8
485.32059	2.6
486.32690	4.5
503.33163	5.4
504.33765	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	504.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29699	0.4
55.01844	0.5
55.05496	5.6
55.40540	0.4
57.03400	2.3
57.07049	0.7
61.02884	0.5
67.05479	6.1
69.03404	4.2
69.07040	7.2
70.06557	0.6
71.04954	0.8
72.70953	0.4
73.02882	2.5
77.23145	0.4
79.05453	6.1
81.03392	2.1
81.07023	16.2
82.07368	0.5
83.08588	2.3
85.02878	4.8
86.09666	2.3
86.35200	0.4
87.00793	2.1
91.05447	15.7
93.06999	10.9
95.04926	0.9
95.08569	19.2
96.08862	0.5
97.02875	4.4
98.14986	0.4
99.04398	0.7
103.14193	0.4
104.04898	0.4
105.01823	0.9
105.06993	27.4
107.08555	26.7
108.08880	0.7
109.02866	1.0
109.06487	2.5
109.10118	9.3
113.49109	0.4
115.03896	1.8
117.06979	6.0
119.08534	100.0
120.08847	1.1
121.06499	0.8
121.10074	5.9
122.10455	0.6
123.08012	0.7
123.11636	3.3
124.93000	0.4
127.03870	2.5
129.76418	0.4
131.08528	4.3
133.04985	0.6
133.10075	16.2
134.10403	1.1
135.08067	0.5
135.11638	3.0
137.09665	0.6
143.08546	1.0
145.04877	1.0
145.10056	4.7
147.11644	12.5
148.11946	0.7
149.13220	1.0
151.11063	0.7
157.10129	1.6
159.02791	0.6
159.11650	2.8
161.09637	0.5
161.13174	4.8
163.14798	2.0
171.11655	1.0
173.13148	2.1
174.13516	0.9
175.11201	0.5
175.14748	19.5
175.64069	0.4
183.11630	0.9
185.13197	0.8
187.14760	1.9
197.13162	0.5
199.14883	0.8
199.61636	0.5
201.16342	1.0
202.16602	0.4
203.14296	0.7
203.17860	11.5
213.16321	0.9
221.18872	0.5
265.48914	0.5
397.12961	0.5
421.30765	0.6
422.70294	0.5
440.32233	0.8
450.30695	0.5
457.32770	1.0
458.33139	1.9
467.31393	0.7
468.31808	0.6
518.04749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39111	0.7
52.86502	0.7
57.03417	0.8
59.50991	0.6
62.10650	0.7
64.54172	0.8
65.67135	0.6
69.03406	19.4
73.02888	1.5
81.03402	1.2
83.04936	1.3
85.02898	5.9
87.04437	31.5
89.06000	71.9
90.36462	0.7
95.04950	0.8
97.02859	3.0
107.07018	1.1
109.02852	1.3
111.04414	1.0
113.05971	100.0
121.69148	0.8
127.03860	0.9
129.06998	0.9
130.26039	0.8
131.06952	3.6
133.07608	1.6
133.08557	34.2
134.28473	0.8
135.04375	1.7
143.08516	0.9
144.73625	0.9
145.02800	1.2
147.04355	1.7
154.76060	0.9
161.05846	0.9
163.03856	7.8
167.08366	0.9
175.07483	1.0
177.05472	1.3
177.11142	6.8
178.66959	0.8
185.09515	0.9
187.07484	1.6
189.09116	3.1
191.06918	8.1
193.07030	1.0
197.05930	3.2
215.06966	12.9
219.12183	4.7
221.13756	7.8
239.14743	1.1
259.09564	7.1
277.10617	4.0
307.17438	54.0
324.14609	1.0
325.18448	9.6
451.15863	1.1
469.16678	1.4
505.09195	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	503.372
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.00293	1.1
53.03932	5.4
55.01851	3.8
55.05497	57.6
55.05768	1.8
57.03412	1.8
57.07059	20.4
57.72965	0.8
61.24162	0.9
67.05482	14.3
69.03390	1.9
69.07044	42.1
69.07423	2.0
71.08596	8.4
79.05463	18.3
81.03388	100.0
81.07025	15.8
83.04966	4.0
83.08590	42.7
85.06531	2.1
85.10146	1.8
91.05448	27.4
93.07014	8.8
95.04939	20.7
95.08563	4.1
97.02847	1.7
97.10130	18.1
105.07005	17.8
107.04939	5.7
107.08562	4.1
109.06494	3.6
109.10148	1.0
111.08073	5.3
111.11710	5.3
115.05421	1.1
119.08537	10.4
121.06452	1.4
121.10139	4.0
129.06966	10.2
131.08534	8.0
133.06506	1.4
133.10120	11.6
134.10449	3.9
135.11661	1.1
137.09561	1.6
142.07741	1.0
147.08011	1.6
147.11650	5.3
147.45847	1.0
149.09598	7.4
153.08977	1.2
157.10068	8.3
163.03423	0.9
175.11162	5.8
193.12177	19.4
233.54004	1.0
249.14839	4.9
328.12503	1.1
429.33817	1.1
459.09140	1.1
503.37149	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.3
53.03923	5.8
55.01855	2.3
55.05496	50.1
57.03412	5.4
57.07058	19.8
67.05479	17.2
69.03401	4.7
69.07040	46.7
69.97262	1.3
71.04974	2.3
71.08611	7.4
74.44618	0.9
79.05463	17.3
81.03387	100.0
81.07028	15.5
83.04948	2.4
83.08590	45.3
85.02895	1.5
85.06534	6.3
85.10147	4.4
88.53794	0.9
91.05447	30.9
92.05772	2.3
92.09338	3.8
93.07005	9.2
95.04930	19.8
95.08601	5.8
96.52438	1.0
97.02828	1.4
97.06479	1.5
97.10139	19.2
99.20396	1.1
100.04913	1.0
105.07000	14.9
107.04923	6.4
107.08574	5.6
108.43848	0.9
109.06541	2.0
109.10181	1.9
111.08063	6.6
111.11683	4.4
117.06964	1.4
119.08527	11.7
121.06506	1.2
121.10113	4.8
123.86515	1.1
124.68359	0.9
127.07506	4.0
127.74019	1.0
129.06944	10.8
131.08549	6.4
133.06415	2.5
133.10085	24.7
134.10400	9.0
135.07980	1.6
137.09566	1.3
142.07805	2.2
147.08005	4.6
147.11661	4.0
149.09555	13.0
150.09926	1.5
153.09045	1.6
157.10098	8.1
163.83936	1.0
171.10162	4.0
175.11172	5.2
181.26900	1.1
189.11255	1.7
193.12161	17.4
249.14894	5.8
292.26364	1.2
420.73608	1.0
427.54807	1.1
457.37543	1.1
503.37137	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3357
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05488	19.7
57.03413	6.0
57.07048	5.9
62.74340	4.6
67.05483	21.2
68.45130	4.1
69.07019	36.0
79.05448	21.5
81.07018	55.1
83.08602	10.6
85.06522	7.7
91.05448	21.0
91.60760	4.0
92.09333	9.1
93.07024	37.9
95.08573	45.6
95.96581	5.7
99.08030	10.1
105.06980	52.6
107.08534	59.8
109.09466	5.1
109.10111	38.8
111.99673	4.8
114.34009	5.2
117.06970	8.0
119.08525	100.0
121.10112	70.8
123.08009	8.3
123.11654	5.4
125.09606	9.3
129.06960	6.6
131.08511	43.6
133.10081	66.1
135.07988	5.3
135.11662	25.0
142.07654	5.3
143.08473	54.1
145.10074	67.0
147.11658	29.6
149.13197	21.1
155.08546	8.0
156.09247	5.4
156.38322	5.2
157.10103	30.8
159.11649	52.4
161.13202	24.0
163.14742	6.7
165.47112	5.1
169.10039	11.1
171.11627	43.6
173.13185	47.0
175.14684	22.2
177.12524	6.8
183.11674	24.9
185.13168	30.8
187.14766	56.3
189.16347	9.1
196.10304	5.8
197.13139	20.7
199.14816	38.1
201.16385	9.1
203.14247	8.5
205.15741	8.6
209.13193	5.2
211.14757	29.8
213.16333	53.1
225.16153	7.0
239.17841	10.4
241.19485	5.8
271.66736	6.0
275.05304	4.7
309.22174	5.6
349.24985	9.3
379.29880	7.9
393.30957	6.6
407.29333	52.6
421.31030	35.4
425.30200	5.8
439.31870	29.2
467.31119	25.4
500.68225	5.6
503.33737	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	503.3362
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05487	9.0
57.07056	3.6
57.21446	4.1
65.04610	4.0
67.05478	19.0
69.03410	4.3
69.07040	8.2
79.05454	26.2
81.07027	27.3
83.08592	6.0
90.90308	3.7
91.05464	35.0
91.86804	4.1
92.08788	7.1
93.07001	42.9
95.08559	60.9
99.08065	8.4
105.07001	49.6
107.08561	99.7
109.06506	4.7
109.10131	16.6
117.06992	9.2
119.08533	100.0
121.10063	35.4
123.11658	7.3
129.06950	5.4
131.08524	61.4
133.10075	52.4
135.08041	7.5
135.11639	20.9
137.13283	5.5
141.94478	4.1
143.08519	9.2
145.10081	50.4
147.11613	44.2
149.09612	4.5
151.07512	4.3
151.44563	4.0
157.10088	10.1
159.11716	29.5
161.09618	4.2
161.13187	18.2
163.14746	7.7
165.08974	4.0
169.10176	4.8
171.11626	8.2
173.13229	27.1
175.14755	24.2
179.14281	5.9
183.11662	5.6
185.13197	19.9
187.14793	74.3
199.14697	6.8
201.16336	17.3
203.18149	3.9
213.16312	9.0
215.14368	4.4
231.05278	4.6
345.20273	4.9
385.27271	5.1
421.30801	19.3
439.32043	37.2
457.32834	26.4
467.31448	15.3
485.32840	6.8
503.32944	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	503.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93204	2.3
55.05275	2.4
55.05498	24.6
57.07066	3.9
57.16562	2.3
57.98301	2.6
59.75137	2.5
67.05489	22.7
69.07040	22.1
73.76903	2.9
79.05464	25.4
81.07027	36.8
83.08594	6.7
91.05441	23.4
92.09357	3.1
93.07021	52.6
95.04981	4.1
95.08573	55.7
97.10169	4.1
99.08032	3.2
105.06995	53.1
107.08567	59.2
109.06503	5.6
109.10161	31.7
111.08096	4.9
117.06966	12.5
119.08542	100.0
121.10108	52.8
123.08027	11.0
123.11676	15.9
129.06982	13.7
130.54866	3.3
131.08524	55.7
133.10080	66.2
135.08043	5.4
135.11635	28.2
137.09628	6.6
142.07785	4.5
143.08557	28.0
145.10109	72.6
147.07999	3.4
147.11636	32.1
149.09599	25.9
149.13235	17.8
155.08514	4.9
156.09360	4.1
157.10071	36.3
159.11659	41.2
161.09558	3.6
161.13228	15.8
163.07440	3.1
163.11133	12.5
163.14787	12.7
165.09068	3.8
165.12613	3.6
169.10086	6.0
170.10815	7.5
171.11658	19.6
173.13200	49.0
175.14821	31.7
177.12683	3.5
183.11679	13.5
184.12492	5.1
185.13202	71.1
187.14758	72.0
189.16310	23.2
191.14305	16.5
193.15782	3.4
195.11620	5.5
195.24655	3.6
197.13234	12.4
199.14771	28.6
201.16342	43.0
203.14253	29.9
205.15819	7.3
213.16302	26.2
215.14252	3.8
215.17981	5.6
217.15852	13.5
223.14758	5.2
225.16362	4.6
227.17638	3.7
229.15837	7.1
231.17424	4.5
233.15289	4.2
245.15471	3.6
247.16805	5.8
249.14661	22.7
253.19426	4.6
261.14825	3.6
349.25366	4.6
403.29761	7.1
421.30811	35.1
423.32568	5.3
439.31894	25.9
449.30435	17.4
467.31500	27.1
485.32718	27.0
503.33710	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.32845	1.6
54.80440	1.6
55.05489	13.2
56.21823	1.7
67.05498	18.3
67.05795	2.5
69.03383	2.0
69.07029	13.5
79.05458	13.9
81.07032	42.7
83.04945	3.9
83.08591	3.0
91.05447	21.2
93.07013	37.8
95.04913	7.8
95.08581	43.2
97.06489	2.3
99.08070	3.6
105.06995	76.9
107.08562	49.2
109.06503	3.8
109.10130	18.8
111.08021	3.2
117.06988	13.2
119.08537	62.1
121.06481	2.0
121.10093	28.9
123.08038	3.1
123.11654	8.6
125.09605	4.5
128.06168	2.7
129.06960	8.9
131.08525	53.0
133.10098	35.4
135.11642	11.6
137.09528	2.1
141.06982	3.4
142.07718	7.4
143.08511	25.0
144.09300	2.2
145.10071	56.9
145.11223	2.1
147.11629	24.2
149.05888	4.1
149.13223	10.9
151.11198	2.1
155.08482	14.2
156.09283	10.0
157.10071	40.9
158.10916	4.3
159.11629	51.9
161.09500	2.1
161.13159	18.2
168.09291	7.8
169.10049	21.9
170.10931	3.6
171.11642	23.7
173.13229	41.9
175.14775	10.6
181.10010	8.8
182.10895	2.6
183.11647	49.0
184.12527	3.1
185.13199	22.6
187.14761	20.0
189.16296	2.5
195.11684	11.3
196.12444	3.4
197.13203	19.2
199.14746	21.8
201.12694	100.0
201.16359	12.6
203.14313	2.8
205.12129	14.7
205.15800	2.6
209.13222	8.8
211.14865	15.7
213.16333	4.2
215.14293	4.6
221.13409	5.3
223.14745	3.8
225.16328	7.5
229.12254	2.5
229.15820	3.2
235.14775	4.7
237.16446	2.8
239.17966	3.0
247.13109	35.0
249.16449	3.3
251.17932	2.2
253.19461	2.5
257.15262	4.4
291.20935	2.2
303.21072	2.7
391.26279	7.7
403.29877	21.6
405.31689	2.5
419.28967	2.3
421.30798	13.6
431.29327	8.3
439.31775	3.7
449.30283	18.8
467.31390	23.6
485.32422	16.4
526.18298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3357
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.59593	0.9
55.05486	6.3
57.07069	1.0
57.84689	0.9
67.05476	10.1
67.70966	0.8
69.07039	5.5
71.04977	2.2
79.05457	7.7
81.03397	12.8
81.07029	13.8
83.08581	4.7
85.02874	0.9
91.05431	7.0
93.07003	20.6
94.67265	0.9
95.04929	11.4
95.08571	27.5
97.06496	1.4
99.08038	4.5
105.06997	20.2
107.08559	29.9
107.09228	1.8
109.06492	1.1
109.10123	9.4
111.08058	1.1
117.06976	2.3
118.23867	1.0
119.08537	37.3
121.06467	2.0
121.10100	16.1
123.08019	45.7
123.11668	3.6
125.09582	1.4
128.06241	0.8
129.06958	4.0
131.08528	22.2
133.10094	20.1
135.07991	5.7
135.11650	8.2
137.09596	6.2
143.08499	9.6
144.21703	0.9
145.10086	23.3
147.08076	1.7
147.11662	13.1
147.99863	1.0
149.09631	1.8
149.13243	2.1
151.07500	0.9
151.11070	1.2
155.08524	3.8
156.09253	1.2
157.10080	12.3
159.11673	14.0
161.09589	2.3
161.13194	10.2
163.07497	1.2
163.11116	1.5
163.14781	2.4
169.10077	5.0
170.10782	1.0
171.11604	8.4
173.09596	9.0
173.13202	14.2
173.34026	1.0
175.14810	6.1
177.12766	1.7
177.16289	1.2
179.14281	1.8
183.11649	6.4
185.13202	11.0
187.11095	3.8
187.14769	21.7
189.12735	3.7
189.16333	5.0
191.14305	4.6
195.11603	1.7
196.12576	1.2
197.13243	2.0
199.11230	1.0
199.14795	10.7
201.12703	1.8
201.16281	4.8
203.14334	5.6
205.15788	3.9
209.13234	1.6
211.14754	2.3
213.16292	7.5
215.14270	1.9
215.17833	1.3
216.15161	1.2
217.15788	2.0
221.15178	1.3
223.14754	1.3
223.16927	1.3
227.17764	1.2
229.15691	1.6
230.78055	1.0
231.17429	4.2
233.15215	1.6
241.19466	6.0
242.16389	1.0
243.17305	4.6
245.15172	1.3
253.19403	1.6
267.21039	1.2
269.19183	1.5
287.20041	1.3
299.20239	1.5
307.20471	1.3
323.23264	1.0
349.25049	1.3
367.26016	1.5
376.27155	1.1
377.28339	5.8
395.29465	1.0
403.29752	1.9
421.30795	9.6
423.28555	5.1
439.32181	8.7
441.29825	100.0
442.29800	1.2
449.30334	1.8
457.32953	6.9
467.31442	6.3
485.32553	20.7
503.33542	2.2
517.05701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3355
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.20245	3.5
54.80995	3.2
55.05498	24.8
56.43768	3.5
57.07035	3.2
64.32580	3.6
64.76328	3.6
67.05473	24.1
69.07047	18.5
79.05474	24.2
81.07028	57.2
83.04951	59.1
83.08597	5.9
84.63742	3.6
91.05423	31.5
93.07013	62.0
95.04944	15.1
95.08578	64.1
105.06992	100.0
107.08553	98.1
109.06492	17.8
109.10129	25.9
111.08035	7.2
117.06996	19.9
119.01834	3.8
119.08546	99.9
121.10097	41.4
123.08050	5.5
123.11692	19.8
125.09592	15.6
128.81290	4.3
129.06929	6.8
130.07732	3.8
131.08496	54.0
133.10085	55.3
135.07965	5.8
135.11597	26.4
142.07771	5.1
143.08545	24.3
144.09258	5.8
145.10074	74.2
147.11627	32.8
149.09590	5.4
149.13199	9.4
155.08548	23.7
156.09305	6.2
157.10091	45.1
158.10881	8.7
159.11633	69.6
161.13179	27.6
161.47884	4.0
163.07478	5.6
163.14769	4.2
167.08484	4.0
169.10077	24.9
170.10867	4.3
171.11618	31.4
173.13161	57.5
175.11143	4.0
175.14778	16.1
177.16290	7.6
182.10869	7.0
183.11638	49.3
185.13234	26.4
187.11195	5.0
187.14737	48.1
189.16313	14.2
195.11688	6.0
197.13246	24.8
199.14792	24.3
201.12679	75.5
201.16345	19.5
203.14209	6.5
205.12160	18.4
205.15878	5.7
209.13142	4.2
211.14763	7.0
215.14304	5.1
217.15765	13.5
219.17468	4.9
227.17871	3.9
229.15770	7.2
247.13170	33.7
251.17937	6.7
385.28690	4.8
403.29840	19.8
421.30942	13.1
431.29138	5.6
439.31592	8.9
449.30719	27.1
457.08759	4.0
457.33038	7.4
467.31470	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	503.3354
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
50.01053	1.1
55.05493	8.4
55.18124	1.3
57.07048	2.2
63.20727	1.2
67.05474	7.5
69.07045	5.7
71.04932	1.5
79.05459	15.8
81.07018	14.9
83.04980	2.8
83.08592	2.3
85.06511	2.3
91.05429	12.8
93.07005	21.4
95.04951	2.2
95.08570	24.0
99.08064	9.9
105.07000	30.0
107.08556	100.0
109.10117	7.8
117.06952	5.8
119.08535	67.0
121.10110	20.6
123.08011	5.5
123.11594	2.8
129.06894	1.6
131.08510	29.9
133.10081	53.4
135.08017	14.2
135.11659	9.4
137.09589	1.7
142.07738	2.0
143.08528	12.2
145.10091	42.3
147.07979	2.9
147.11638	26.5
149.09564	2.2
149.13181	5.8
151.07430	2.5
155.08546	1.5
157.10063	12.2
158.10818	2.7
159.07924	1.8
159.11635	23.6
161.09563	8.3
161.13184	26.0
163.11150	2.0
163.14755	6.3
169.10069	3.5
171.11659	10.3
173.09569	8.0
173.13206	16.6
175.11147	9.1
175.14713	12.7
177.12761	2.2
177.16281	2.8
179.14282	9.5
183.11588	3.7
185.13168	13.6
187.11145	6.2
187.14745	50.6
189.12680	9.6
189.16307	6.7
191.14276	2.5
195.11678	2.3
197.13087	2.1
199.14766	7.0
201.16350	10.2
203.14258	11.6
205.15810	7.1
209.13168	2.6
210.13959	1.7
211.14763	5.9
213.16338	8.5
215.14227	11.0
217.15717	2.8
221.15222	2.9
227.17873	2.6
229.15826	10.3
231.17383	1.9
233.15211	5.7
235.14761	2.5
241.15849	1.6
245.15331	2.1
339.18243	1.6
367.25922	2.7
385.27350	3.0
395.29361	8.4
403.29776	7.3
409.30753	3.5
421.30664	31.2
439.31906	44.0
441.29651	2.3
449.30283	2.8
457.32932	53.0
467.31326	24.1
485.32681	10.6
503.33182	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3359
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
54.18410	1.2
55.05484	9.2
57.03432	1.6
57.07056	2.9
67.05478	9.7
69.03386	3.1
69.07032	11.4
71.04967	3.4
79.05469	8.6
81.07024	32.9
83.04955	3.3
83.08595	6.8
85.02864	1.9
85.06536	2.6
85.94563	1.3
91.05453	11.0
93.07006	23.5
95.04944	2.4
95.08570	24.9
97.06487	2.8
97.10139	1.6
99.08039	7.3
105.06993	36.8
107.08552	44.0
109.06504	2.8
109.10120	25.1
111.08066	3.2
117.06964	5.5
119.08537	57.1
121.06424	3.5
121.10091	30.6
123.08009	5.9
123.11695	10.3
127.03975	1.6
127.11096	2.8
129.06964	2.3
131.08534	21.6
133.06448	2.4
133.10075	44.7
135.08025	8.3
135.11636	19.3
142.07718	2.5
143.08528	7.3
145.10080	37.5
146.10397	1.9
147.08025	5.8
147.11630	19.1
149.09554	2.7
149.13210	7.5
151.11130	3.4
155.08505	2.0
156.09364	1.7
157.10074	10.9
159.08060	5.5
159.11600	22.9
161.09598	22.2
161.13219	12.7
163.07515	3.0
163.11182	5.6
163.14796	6.3
169.10071	3.6
169.29216	1.4
170.10747	1.4
171.11627	11.5
173.09598	2.5
173.13206	29.5
175.11108	3.7
175.14729	12.2
177.12732	2.5
177.16357	11.7
181.10158	2.2
182.10797	1.8
183.11664	7.1
185.13176	11.5
187.11139	2.7
187.14749	45.9
189.12686	3.4
189.16370	13.7
191.14259	7.3
193.15717	1.9
195.11646	1.8
197.13240	6.1
199.11078	2.8
199.14755	8.2
201.12692	3.1
201.16411	8.6
203.14262	2.2
203.17894	6.7
205.15755	19.1
207.11691	2.0
211.14824	2.0
213.16350	3.1
215.14276	16.0
217.15839	3.5
219.13821	1.5
221.18816	2.1
223.14868	1.8
223.16872	2.7
233.15289	16.6
251.16409	7.4
317.21198	2.0
330.66620	1.5
356.25729	1.5
385.27429	3.2
403.29898	7.0
421.30954	11.1
439.32086	16.6
449.30185	5.9
455.31348	2.0
457.32953	45.5
467.31073	13.3
469.54730	2.0
485.32437	20.7
503.33490	100.0
522.15625	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48017	1.8
53.03921	3.9
55.01838	1.9
55.05489	19.7
57.03413	2.2
57.07052	4.4
66.12232	2.1
66.26390	1.6
67.05486	33.4
69.03399	13.6
69.07046	34.4
71.04971	5.0
79.05460	27.7
81.03378	2.5
81.07021	71.1
82.10809	2.0
83.04951	20.4
83.08580	11.1
85.02859	12.4
85.06531	3.3
87.00787	2.6
87.04416	2.0
91.05448	31.2
93.07011	61.0
95.04916	12.6
95.08571	79.6
97.02851	3.5
97.06522	7.5
97.10131	3.2
99.04449	4.3
99.08063	4.8
105.07000	71.5
106.44083	2.1
107.04910	2.1
107.08562	83.4
109.06490	13.5
109.10113	48.4
111.08056	10.5
113.05973	3.0
115.05397	2.1
117.06990	15.6
118.45488	1.9
119.08537	100.0
121.06452	12.3
121.10098	59.0
121.10891	4.3
123.08035	9.8
123.11658	15.8
125.09571	11.8
127.03791	3.0
127.11108	2.1
128.06139	2.3
129.06963	8.4
131.08519	45.5
133.10081	61.5
135.08015	14.2
135.11649	25.2
137.05945	2.8
137.09560	9.7
137.13257	5.0
141.06932	2.7
142.07697	7.9
143.08505	25.7
145.10085	77.9
147.08023	10.3
147.11644	54.5
149.09578	13.1
149.13234	11.7
151.07445	2.5
151.11057	3.0
153.09114	2.5
155.08464	9.7
156.09283	4.1
157.10054	26.4
158.10870	3.5
158.18805	2.0
159.08038	3.8
159.11621	43.7
161.09570	12.9
161.13165	35.1
163.07472	2.5
163.11127	11.7
163.14757	15.0
165.09015	8.3
169.10097	17.7
170.10815	5.0
171.11615	20.0
173.09483	4.0
173.13206	35.4
174.13603	7.9
175.11061	8.9
175.14732	24.9
177.12715	2.5
177.16335	4.1
179.10645	2.6
183.11641	18.7
184.74173	2.1
185.13197	33.3
187.11044	3.6
187.14737	53.1
189.12711	17.9
189.16310	14.5
191.14252	10.8
191.17882	4.1
193.09915	2.7
195.11594	8.8
197.13211	8.7
199.14775	24.9
201.12747	5.1
201.16335	42.3
203.14267	14.9
203.17897	24.2
205.15837	4.8
207.11655	3.7
207.13715	3.4
211.14713	9.3
213.16324	15.0
215.14230	5.1
217.15826	4.5
219.17390	4.3
221.15182	3.0
221.18842	3.1
225.16443	3.1
227.17812	3.7
229.15758	3.1
232.79411	2.2
237.16280	4.2
237.18451	2.2
239.17851	8.4
245.15202	3.2
247.16728	3.1
259.16742	2.3
261.15021	2.3
265.19421	2.3
289.08698	3.5
295.80841	2.2
305.24646	4.6
356.98184	2.2
403.29611	9.3
421.30945	21.3
429.29721	2.6
431.29510	4.5
439.32031	19.6
449.30255	20.3
457.32870	11.7
467.31454	25.5
485.32510	15.3
503.24298	15.9
503.32562	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	503.3354
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
50.26509	1.5
52.82657	1.4
55.05490	15.0
55.25590	1.6
67.05486	17.9
69.03403	4.5
69.07044	17.7
71.04955	3.6
77.16940	1.8
79.05448	13.0
81.07021	35.3
83.08587	7.5
83.54485	2.0
85.93936	1.6
91.05441	18.2
92.09364	3.6
93.06994	38.9
94.47959	1.9
95.04903	4.6
95.08562	43.9
97.06490	4.0
104.62186	2.0
105.06991	44.7
107.08557	62.0
109.06480	11.1
109.10118	25.9
110.97678	2.1
111.08045	2.4
113.05992	7.0
117.06952	10.2
119.08533	100.0
119.56669	2.1
121.06482	10.4
121.10101	47.8
123.07992	9.0
123.11642	8.2
129.06944	3.3
131.08502	48.5
133.10078	44.5
135.07999	10.7
135.11658	18.5
137.09547	3.2
137.13239	1.8
142.07759	3.1
143.08479	18.8
144.09341	2.0
145.06505	2.2
145.10086	54.5
147.08038	9.8
147.11641	33.8
149.09569	15.5
149.13182	9.4
151.07494	3.0
155.08499	7.3
156.09300	3.9
157.10092	26.2
159.07924	2.7
159.11639	30.3
161.09573	12.3
161.13205	24.8
163.11125	12.3
163.14754	9.0
165.09070	18.4
165.12743	2.1
169.10010	13.1
170.10893	2.9
171.11649	15.4
173.13168	46.5
175.11147	4.2
175.14771	27.9
177.12675	3.3
177.16258	6.8
179.14276	3.1
183.11621	9.1
185.13177	42.8
187.11165	2.9
187.14755	53.7
189.12665	18.2
189.16335	12.9
191.14247	14.0
191.17902	2.3
192.87402	2.2
195.11639	4.2
197.13220	8.4
199.14772	27.0
201.12666	3.2
201.16306	48.3
203.14276	19.7
203.17943	7.6
205.15889	8.6
207.13765	3.3
209.13268	3.0
211.14742	14.3
213.16333	12.7
215.14241	3.5
215.17928	2.5
217.15800	10.7
221.15257	3.7
223.14642	3.3
225.16353	7.5
227.17818	4.3
229.15877	2.7
231.17387	3.8
233.15181	3.7
239.17851	4.4
245.15230	4.4
247.16890	3.4
249.14783	10.7
251.17908	2.2
253.19389	3.8
259.20700	2.0
265.19324	2.8
267.21323	2.0
307.23761	2.3
319.23911	2.5
353.24585	3.2
375.30481	2.1
379.38425	2.0
393.31314	2.2
403.29703	11.9
421.30841	30.4
423.32745	2.5
431.29016	4.4
439.31799	18.4
441.33737	2.5
449.30331	19.0
467.31271	21.4
485.32281	18.8
503.33353	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	503.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05479	7.7
57.03415	1.6
57.07052	2.8
59.04977	1.3
60.16274	1.2
67.05471	7.7
69.03391	3.2
69.07043	15.3
69.32439	1.3
71.04964	5.1
79.05463	12.4
81.07024	30.7
83.04946	2.2
83.08576	5.7
85.02873	6.0
85.06483	1.7
86.03225	1.7
87.00785	3.4
91.05439	19.9
93.07008	26.6
95.04915	2.7
95.08572	32.7
97.02874	2.5
97.06476	5.6
99.04395	1.6
99.08070	15.5
103.05414	1.9
105.01833	1.9
105.06290	2.9
105.06999	84.2
107.04903	2.6
107.08562	46.4
109.06481	5.8
109.10117	25.1
111.08070	2.3
117.06977	13.2
119.08543	65.1
120.08870	1.5
121.06472	5.2
121.10106	39.3
123.08025	6.4
123.11662	9.1
124.44096	1.3
125.05949	7.1
127.03916	1.4
129.06966	2.7
131.04874	19.3
131.08531	51.5
133.06421	3.2
133.10075	43.7
135.07997	6.1
135.11650	13.6
137.09613	2.3
139.07521	2.6
142.07750	1.8
143.08501	8.2
144.09369	1.6
145.06441	1.8
145.10086	62.4
146.10431	2.7
147.07999	26.1
147.11642	28.6
149.05934	62.7
149.09521	2.2
149.13249	15.9
151.11066	2.0
155.08481	2.1
157.10054	13.2
158.10857	1.6
159.07982	2.5
159.11624	19.8
161.09567	2.3
161.13194	14.7
163.07442	2.0
163.11098	10.2
163.14764	25.9
171.11615	9.9
172.12390	2.1
173.13188	43.1
175.11075	7.0
175.12456	1.6
175.14751	18.0
177.12720	1.9
177.16353	19.1
181.88486	1.6
183.11586	6.3
185.13228	11.0
187.14752	63.6
189.16359	2.0
191.14186	5.3
195.11763	1.8
197.13177	4.9
199.14774	8.3
201.12740	17.3
201.16330	3.4
203.14279	8.2
203.17867	2.2
205.15804	65.9
211.14783	5.3
213.16420	4.5
217.15848	2.4
219.13725	56.1
219.17130	2.5
223.14850	2.8
223.16846	57.0
225.12708	1.6
225.16380	1.6
237.14717	7.5
403.29755	3.0
413.89523	1.4
421.30811	8.8
439.31934	17.5
441.33322	7.0
457.32999	100.0
458.33423	1.6
459.34448	1.8
485.32324	3.0
503.33591	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	503.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	21.3
57.07058	3.5
59.04992	2.4
59.68270	2.1
63.34456	2.2
65.42319	2.2
67.05476	11.9
68.38851	1.9
69.07034	16.2
69.78011	2.1
71.07710	2.4
71.08572	2.4
72.94592	2.1
73.76200	2.1
76.55634	2.4
78.86410	2.2
79.05466	18.0
81.07028	32.1
83.08571	14.2
85.46459	2.0
89.05997	3.0
91.05447	22.3
92.57153	2.1
93.07011	52.8
95.08571	49.6
95.63400	2.6
97.06472	14.7
97.10168	2.1
99.08035	3.7
103.51945	2.6
105.06996	65.1
107.07903	2.8
107.08570	71.1
109.06502	2.7
109.10088	17.8
111.08046	3.3
117.06968	13.9
119.08533	100.0
121.10103	55.9
123.08009	3.0
123.11643	11.6
128.06209	2.7
129.06956	10.4
131.08530	45.7
133.10075	45.1
135.11636	20.8
137.09554	17.1
137.13196	3.6
139.11101	4.2
142.07684	4.5
143.08508	39.2
145.10063	54.7
146.10907	2.6
147.07990	3.7
147.11642	34.2
149.13213	10.0
153.09041	3.3
155.08496	13.8
156.09288	5.0
157.10094	36.3
159.11649	52.0
161.09627	3.3
161.13185	23.5
163.07420	3.3
163.11102	4.4
163.14742	10.7
165.12698	4.0
169.10095	20.1
170.10849	3.6
171.11604	30.2
173.13223	31.3
175.14766	18.0
177.09023	4.3
177.16335	4.0
180.65913	2.4
182.10899	3.0
183.11615	22.2
184.12393	3.1
185.09631	2.6
185.13216	33.9
186.78935	2.6
187.14760	43.5
189.16351	4.7
191.14320	3.6
195.11667	4.8
195.62386	2.9
197.13171	10.1
199.14725	38.3
201.16373	21.2
203.14233	16.9
209.13202	12.0
209.15138	3.4
211.14798	18.0
213.16324	55.8
215.17950	4.5
217.12210	2.8
223.14879	5.7
225.16434	4.3
227.17915	9.2
229.15843	3.0
231.17328	10.6
237.16339	4.2
239.18018	5.4
241.19199	4.0
247.16809	2.9
249.14714	4.7
251.17915	9.8
259.16870	27.8
259.43567	2.7
265.19397	2.5
267.20990	3.7
313.21704	2.8
333.25775	3.8
351.26712	4.1
360.36758	2.6
393.31345	5.6
397.27148	11.9
403.29642	5.9
411.32590	3.2
415.28339	42.8
421.30826	50.9
423.32297	4.5
439.31769	15.4
449.30164	9.5
457.32825	12.9
467.31516	18.8
485.32339	11.5
503.33096	11.6
523.85333	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01847	2.5
55.05494	22.7
55.27825	1.7
55.55119	1.8
57.03411	4.0
57.07045	9.1
59.04980	3.6
59.41428	1.6
61.02902	2.6
65.03894	3.2
67.05482	30.5
69.03406	14.0
69.07046	24.0
71.04961	12.1
73.02859	2.2
79.05466	26.0
81.03371	3.2
81.07024	65.1
83.04966	10.7
83.08579	11.3
85.02858	14.4
85.06491	3.5
86.09671	3.4
87.00809	2.9
91.05453	35.1
92.62734	2.6
93.07005	70.4
95.04934	12.6
95.08569	70.3
97.02854	8.3
97.06508	10.4
97.10178	2.9
99.04414	2.9
99.08031	4.3
102.18149	2.2
105.06995	94.6
107.08562	88.8
108.08949	1.7
108.45840	2.1
109.02867	4.3
109.06490	14.1
109.10108	43.5
111.04406	1.9
111.08045	8.2
115.03897	2.2
116.98577	1.8
117.06976	12.5
119.08537	100.0
120.08895	2.7
121.02775	3.5
121.06455	9.8
121.10098	67.4
123.08031	12.4
123.11635	18.2
125.09605	3.4
127.03801	6.6
127.11161	3.8
128.06190	2.4
129.06943	4.8
131.08533	45.0
133.09081	2.9
133.10088	76.9
134.10384	3.6
135.08015	14.7
135.11647	30.3
137.05942	3.0
137.09541	7.2
137.13226	2.8
142.07690	3.1
143.08533	25.3
143.10657	2.6
144.09291	8.4
145.10086	64.2
145.11234	2.6
147.07977	4.8
147.11649	61.5
149.09601	11.4
149.13249	12.7
151.11128	3.9
155.08496	3.2
156.09253	3.2
157.10110	28.0
158.10829	2.3
159.08049	2.0
159.11638	55.1
160.12012	2.1
161.09602	11.3
161.13173	26.3
163.11133	10.1
163.14761	10.3
165.09044	3.3
168.09248	2.1
169.10031	14.2
170.10896	2.8
171.11627	28.1
173.09621	3.5
173.13210	41.4
174.13551	4.1
175.11130	4.3
175.14763	25.6
177.12682	3.8
177.16385	16.8
183.10144	2.1
183.11642	10.9
185.13202	26.8
187.11148	2.8
187.14763	50.2
189.12677	7.8
189.16376	20.5
191.14281	9.2
191.17870	2.8
195.11572	2.8
197.13202	14.6
199.14732	12.9
201.12703	8.5
201.16281	22.5
203.14285	11.6
203.17902	19.5
205.15797	27.7
207.13710	2.5
207.17467	2.5
209.13084	2.5
211.14822	6.9
213.16347	7.5
215.14256	16.2
215.17947	2.5
217.15794	4.6
219.13747	2.4
219.17384	10.6
223.14725	4.2
229.15849	2.7
233.15266	3.2
237.39984	2.0
279.15930	2.9
287.23499	2.7
305.24527	7.1
315.39703	2.4
403.29901	4.5
409.31158	2.6
421.30759	15.9
439.31976	24.6
449.30405	4.6
455.31555	2.3
457.32944	19.5
467.31891	15.9
485.32712	29.2
503.32809	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3359
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.00282	1.2
53.03917	1.4
55.01833	1.4
55.05492	22.6
57.07048	3.2
59.05003	1.3
63.58248	1.2
67.05480	17.2
69.03398	5.8
69.07043	27.8
71.04959	9.4
79.05461	22.0
81.03385	2.6
81.07023	53.4
83.04919	12.4
83.08599	10.9
83.36992	1.3
85.02862	7.9
85.06519	2.4
91.05441	25.3
92.09395	2.8
93.07002	54.7
95.04925	9.0
95.08565	47.9
97.02871	3.4
97.06506	3.3
97.10118	1.6
99.04420	1.3
99.08069	13.2
101.05944	1.5
105.06996	54.7
107.04867	1.6
107.08559	100.0
109.02815	1.5
109.06474	10.3
109.10128	27.1
111.04403	1.4
111.08037	5.7
112.06861	1.4
115.05363	1.6
117.06968	9.9
119.08538	93.8
121.06464	3.3
121.10094	42.4
123.08028	6.7
123.11644	10.6
125.09595	3.4
129.06979	5.5
130.07742	1.6
131.08513	34.6
133.10075	54.8
135.08020	17.4
135.11623	24.0
137.09581	6.0
137.13263	2.5
140.37726	1.6
142.07726	1.9
143.08524	16.1
144.09323	1.8
145.10078	68.0
147.08037	4.8
147.11636	35.2
149.09589	6.5
149.13225	11.8
151.07518	2.1
155.08487	8.5
156.09271	2.9
157.10066	23.4
158.10924	1.9
159.08011	2.8
159.11626	39.3
161.09610	10.8
161.13191	24.8
163.11125	5.6
163.14745	28.5
169.10091	9.7
170.10838	6.0
171.11612	17.0
172.08865	1.8
173.09581	5.7
173.13203	28.9
175.11163	7.9
175.14772	15.2
177.09073	2.1
177.12634	3.2
177.16310	6.5
179.08424	2.0
179.14209	6.3
181.10068	3.2
183.11665	10.1
185.13153	15.9
187.11110	8.1
187.14737	46.6
189.12672	7.1
189.16330	9.3
191.14236	8.3
191.17924	1.7
193.10226	1.8
195.11559	5.0
196.12267	1.5
197.13147	12.7
199.11113	2.3
199.14786	12.0
201.12659	8.2
201.16331	16.8
203.14256	8.3
203.17947	2.9
205.15831	3.5
207.11765	2.2
207.13716	1.9
209.13257	5.7
211.14799	7.4
213.12761	2.3
213.16328	11.1
215.14235	14.3
215.17924	3.0
217.15797	3.1
219.17361	2.7
223.14752	3.4
225.16368	3.3
227.14223	8.0
227.17776	2.3
229.15831	8.6
229.19385	2.7
231.17444	2.9
231.60416	1.5
233.15250	5.8
235.14751	3.3
237.16313	3.1
239.17880	1.8
241.15733	2.8
243.17339	2.1
245.15208	2.9
247.16855	1.8
249.11314	1.7
251.17880	2.3
253.19617	2.2
255.17290	1.9
259.16824	6.2
269.22351	2.2
281.18906	1.9
287.23718	2.0
305.24789	2.7
349.24622	2.4
351.22943	1.7
367.25958	5.2
379.30252	1.5
391.29373	4.9
393.31277	3.1
403.29782	7.0
409.30927	16.7
411.32794	1.7
421.30844	36.3
431.29446	1.6
437.30405	9.9
439.31924	51.9
449.30396	11.7
455.31134	7.1
457.32910	56.8
467.31409	30.9
485.32596	15.9
503.32782	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	503.3358
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03926	3.6
55.01846	3.1
55.05494	15.4
57.03405	3.5
57.07051	3.5
59.04993	2.4
59.31743	2.1
61.02909	3.2
67.05489	19.2
69.03399	21.2
69.07046	19.0
71.04950	12.1
73.02876	2.6
79.05456	19.5
81.03381	12.8
81.07026	52.5
83.04935	5.5
83.08585	10.4
85.02872	41.2
85.06501	3.8
87.00797	24.4
91.03879	2.7
91.05433	21.4
93.07011	42.6
95.04941	4.5
95.08573	51.8
97.02843	26.0
99.04385	5.0
99.08047	9.6
105.01823	19.1
105.06997	61.7
107.07888	3.8
107.08558	65.0
109.02828	13.0
109.06483	11.7
109.10120	61.6
111.08069	4.3
117.06970	11.9
117.58387	2.3
119.08540	98.9
119.09807	2.8
121.06451	14.1
121.10107	55.9
123.07976	5.2
123.11673	14.3
125.09389	2.0
127.03860	18.5
127.11139	14.1
129.06908	2.9
131.08530	31.0
133.06451	4.0
133.10077	73.2
135.08028	13.9
135.11635	32.1
137.09537	4.2
142.07738	2.4
143.08534	18.6
145.04922	3.1
145.10085	59.4
147.07974	3.7
147.11646	36.8
149.09572	8.2
149.13188	9.3
151.11104	4.8
153.09119	2.6
155.08456	2.6
156.09311	2.7
157.10071	30.3
159.07959	3.9
159.11630	39.6
161.09547	34.1
161.13202	11.8
163.07480	12.4
163.11156	3.9
163.14734	8.5
165.12691	2.8
169.10020	7.9
171.11594	19.1
172.12354	2.9
173.13196	37.0
175.11142	12.2
175.14714	23.4
177.16306	12.6
183.11623	4.3
185.13155	25.8
187.11131	4.5
187.14757	55.2
189.12624	3.2
189.16280	19.9
191.14247	9.6
195.11580	3.3
197.13217	11.8
199.14740	12.8
200.08240	2.7
201.12659	5.2
201.16318	9.0
203.14230	12.3
203.17862	21.0
205.15808	19.8
209.13188	3.8
211.14764	9.5
212.90952	2.4
213.16367	3.3
215.14238	12.6
215.17903	2.8
219.13785	3.8
221.18912	20.3
223.14761	2.9
223.16762	2.9
229.15773	5.0
233.15282	26.4
251.16293	12.3
253.19370	2.9
277.87396	2.3
311.20096	2.6
349.25159	3.4
367.25967	4.6
384.01355	2.4
393.26978	2.5
403.29553	4.5
409.30740	4.2
421.30734	24.2
439.32227	22.5
449.30206	3.3
455.31192	3.1
457.33002	43.9
467.31558	16.7
485.32486	26.4
503.33514	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17967	0.3
53.03915	0.4
55.01854	4.9
55.05487	2.4
56.00719	0.4
57.03411	1.0
57.07049	0.8
59.04971	0.5
61.02891	2.2
63.30021	0.4
66.42488	0.4
67.05475	1.9
69.03402	4.3
69.06679	0.8
69.07042	22.9
71.04956	2.1
73.02876	3.2
73.20703	0.4
79.05457	2.5
81.03370	0.9
81.07030	5.7
82.99081	0.4
83.04940	2.2
83.08564	0.8
85.02873	7.0
85.06475	0.5
89.05991	1.0
91.05452	5.2
93.07006	17.3
95.04921	2.6
95.08560	6.2
97.02835	3.6
97.06499	3.4
105.06454	0.4
105.07012	6.1
107.07886	0.8
107.08562	15.0
109.06468	2.1
109.10124	4.4
111.08038	1.0
115.05408	0.5
116.98586	0.5
117.06985	2.0
119.08528	4.4
119.23420	0.5
121.02833	3.4
121.06458	19.2
121.10098	14.3
123.08006	2.9
123.11646	0.9
127.03873	0.7
131.08524	5.6
133.08507	0.6
133.10091	11.0
135.08020	9.7
135.11612	5.1
137.05952	2.0
137.09558	1.6
139.11121	1.7
143.08533	1.6
145.04878	0.6
145.10091	2.5
147.11646	38.6
149.09587	6.9
149.13217	10.6
151.11182	0.9
157.09999	0.5
158.10884	2.0
159.11644	1.0
161.09561	5.9
163.11180	0.9
163.14775	2.7
173.13208	12.1
175.14641	0.9
176.11890	2.3
189.05392	0.5
191.14247	100.0
209.15271	4.6
212.97528	0.5
323.24503	0.9
351.47552	0.5
371.20609	0.7
503.20380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2478
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
51.68805	0.2
53.03925	0.2
55.05498	1.4
57.03416	0.4
57.07056	0.4
60.08967	0.2
67.05479	1.7
67.39388	0.2
69.03405	4.6
69.07034	2.9
71.04967	0.5
72.11564	0.2
73.02891	0.5
79.05460	3.0
81.03394	0.6
81.07027	5.9
83.04960	1.3
83.08586	1.1
85.02888	2.2
91.05436	2.9
92.73312	0.3
93.07021	2.2
95.04925	0.6
95.08549	2.0
97.02852	0.7
97.06481	0.6
98.91042	0.3
105.07008	4.0
107.04913	1.6
107.08564	17.0
109.06495	6.7
109.10125	5.8
115.05390	0.6
117.06977	1.7
119.08552	2.2
121.06471	1.0
121.10103	15.6
122.07249	2.4
123.08041	1.4
123.11655	0.4
125.09569	0.3
125.24977	0.3
127.03903	0.3
131.08505	2.0
133.10089	100.0
135.08014	15.7
135.11656	1.5
137.09575	66.3
143.08469	0.4
145.10065	1.2
147.11639	2.3
149.09631	0.5
149.13214	13.3
151.11154	1.7
158.10800	1.9
163.14746	2.2
165.12721	1.5
173.13197	6.0
174.72108	0.3
191.14246	33.3
209.15305	22.6
225.58386	0.3
315.05215	0.3
353.65546	0.3
384.01578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.05514	1.6
57.03424	0.3
57.07071	0.3
59.77473	0.3
61.02927	0.4
61.08805	0.2
65.03933	0.3
67.05505	1.5
69.03403	4.5
69.03703	0.3
69.07040	2.1
71.04993	0.4
73.02900	1.4
79.05461	3.2
81.03368	0.3
81.07030	6.8
81.07497	0.4
83.04979	0.3
85.02876	2.4
85.06532	0.3
87.04414	0.3
91.05444	2.8
93.07015	2.5
95.04939	0.4
95.08572	1.3
97.02863	1.1
97.06500	0.4
105.06985	3.7
107.04917	1.4
107.08559	17.2
109.06492	7.0
109.10119	5.7
113.46243	0.3
115.05414	1.3
116.06237	0.2
116.07069	0.2
117.06975	2.2
119.08562	2.8
121.06448	1.1
121.10098	12.8
122.07275	3.4
123.04387	0.4
123.08017	2.0
127.03885	0.3
129.70453	0.3
131.08505	2.2
133.10086	100.0
134.10425	0.5
135.08005	14.2
135.11650	1.5
137.09572	64.7
138.58231	0.3
139.03882	1.1
140.04204	0.4
145.10089	1.3
145.87505	0.3
147.11632	2.0
149.09558	1.5
149.12018	0.5
149.13208	14.0
151.11130	1.2
153.05426	1.4
158.10809	1.7
163.14764	1.6
173.13188	7.2
191.14250	30.3
207.04167	0.3
209.15300	16.8
219.34012	0.3
381.12744	0.3
472.50195	0.3
520.29376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17967	0.3
53.03915	0.4
55.01854	4.9
55.05487	2.4
56.00719	0.4
57.03411	1.0
57.07049	0.8
59.04971	0.5
61.02891	2.2
63.30021	0.4
66.42488	0.4
67.05475	1.9
69.03402	4.3
69.06679	0.8
69.07042	22.9
71.04956	2.1
73.02876	3.2
73.20703	0.4
79.05457	2.5
81.03370	0.9
81.07030	5.7
82.99081	0.4
83.04940	2.2
83.08564	0.8
85.02873	7.0
85.06475	0.5
89.05991	1.0
91.05452	5.2
93.07006	17.3
95.04921	2.6
95.08560	6.2
97.02835	3.6
97.06499	3.4
105.06454	0.4
105.07012	6.1
107.07886	0.8
107.08562	15.0
109.06468	2.1
109.10124	4.4
111.08038	1.0
115.05408	0.5
116.98586	0.5
117.06985	2.0
119.08528	4.4
119.23420	0.5
121.02833	3.4
121.06458	19.2
121.10098	14.3
123.08006	2.9
123.11646	0.9
127.03873	0.7
131.08524	5.6
133.08507	0.6
133.10091	11.0
135.08020	9.7
135.11612	5.1
137.05952	2.0
137.09558	1.6
139.11121	1.7
143.08533	1.6
145.04878	0.6
145.10091	2.5
147.11646	38.6
149.09587	6.9
149.13217	10.6
151.11182	0.9
157.09999	0.5
158.10884	2.0
159.11644	1.0
161.09561	5.9
163.11180	0.9
163.14775	2.7
173.13208	12.1
175.14641	0.9
176.11890	2.3
189.05392	0.5
191.14247	100.0
209.15271	4.6
212.97528	0.5
323.24503	0.9
351.47552	0.5
371.20609	0.7
503.20380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2091
Annotation	LY223982
Peak:m/z	Relative Intensity
51.16825	0.4
51.42539	0.5
57.53794	0.5
69.03393	0.7
71.90359	0.4
73.73592	0.5
85.02863	0.8
86.09702	0.6
93.07002	1.1
95.04945	0.8
97.06486	1.1
105.07011	0.7
107.08546	0.7
118.55140	0.5
121.10115	1.0
135.11737	0.6
140.21378	0.5
149.09595	4.3
151.11107	1.2
163.03856	1.1
165.12721	0.8
165.90552	0.5
191.14188	0.8
209.15326	2.8
215.07021	0.5
223.04269	0.6
240.18196	0.6
259.09604	0.9
371.16684	3.6
503.20795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03920	2.8
54.81019	0.6
55.01841	3.8
57.03412	6.8
59.04966	0.5
61.02901	4.8
65.49214	0.6
67.05463	0.7
69.03039	0.9
69.03401	24.3
70.06552	0.6
71.04967	7.2
73.02882	8.9
73.92493	0.5
81.03378	18.6
83.04945	1.1
83.77274	0.5
85.02876	19.0
87.04424	1.4
89.21693	0.7
91.03902	0.7
91.05421	0.9
91.45810	0.5
95.04340	1.2
95.04929	30.4
97.02865	9.5
99.04408	11.0
109.02829	3.5
115.03870	1.4
116.29042	0.6
116.65906	0.6
119.04922	1.2
121.02803	0.6
123.04390	0.8
127.03868	3.2
130.15866	3.3
133.07544	2.8
133.10120	0.7
134.15993	0.6
145.02690	0.5
145.04945	1.0
147.04366	3.9
148.04802	0.7
150.37558	0.8
153.09039	6.3
161.07051	6.9
163.03848	2.9
163.08559	5.7
173.24542	0.7
179.08118	2.4
181.88510	0.7
189.06532	7.0
191.08115	4.8
203.03284	3.3
204.03751	0.8
207.07573	100.0
209.15274	9.6
219.07640	0.9
233.08006	1.4
237.42746	0.6
247.10710	0.8
249.08598	1.4
252.75211	0.6
265.62198	0.6
305.11133	2.2
323.12234	23.8
341.13293	52.5
359.70682	0.7
488.65750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	2.0
54.54495	1.8
55.05481	14.2
57.03423	23.8
57.07059	42.0
59.04972	4.5
60.65521	1.9
65.95304	2.0
66.46759	2.3
67.05483	100.0
69.07028	9.7
69.25478	1.9
71.08606	23.8
81.07046	22.0
83.08576	15.8
85.10143	12.2
91.05462	3.4
92.09263	2.2
93.06988	3.3
95.08562	15.0
97.10099	3.0
107.08495	2.4
108.09571	2.0
109.10122	85.0
110.44181	2.2
119.08527	2.9
155.10748	3.1
173.11662	18.1
192.88887	2.2
209.23230	2.2
229.14252	60.7
272.86377	2.2
278.83920	2.2
291.89301	2.6
313.27213	63.3
316.15872	2.8
350.83658	2.3
388.49649	2.3
467.37073	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	502.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.1
56.70516	4.9
57.07038	5.8
64.16838	4.8
67.05481	10.5
69.07033	21.9
75.45101	5.5
76.47385	4.5
79.05443	8.7
81.07017	45.2
83.04969	6.0
83.08585	8.0
91.05433	23.2
93.06998	29.1
95.08582	62.3
105.07001	53.1
107.08553	75.5
109.06470	4.9
109.10129	41.8
117.06917	7.7
119.08549	100.0
121.10080	55.6
122.21157	6.3
123.07997	6.5
123.11666	9.3
129.99734	4.6
131.08510	45.5
133.10085	48.4
135.07988	11.1
135.11653	28.4
137.13237	7.7
142.07784	6.1
143.08525	21.1
145.10069	54.0
147.11635	46.6
149.09570	9.9
149.13228	10.4
157.10077	49.0
159.11673	53.7
161.13217	24.3
167.55049	5.3
169.10106	7.3
169.59535	6.1
171.11633	43.0
173.13237	39.1
175.11136	5.8
175.14786	49.9
176.11998	5.4
177.16342	6.8
181.10028	5.9
183.11617	9.8
185.13173	41.7
187.14763	37.0
197.13246	6.2
199.14780	34.8
201.16281	22.1
203.14200	10.0
211.14755	12.3
213.16342	22.8
217.15891	8.0
221.15178	8.0
225.16342	6.7
227.17854	6.7
247.17017	7.4
312.84738	5.0
403.29614	12.7
405.31332	5.9
421.30844	85.2
439.31903	6.3
449.30423	10.3
467.31537	68.0
502.33633	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	502.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60330	4.9
52.70406	4.8
54.46731	4.8
55.05481	29.4
57.07047	5.5
67.05463	11.9
69.07035	28.0
71.98736	5.1
79.05468	10.1
81.07011	35.8
83.08573	25.3
91.05431	11.3
92.08548	6.2
93.07007	30.7
95.08575	61.7
105.06991	43.8
107.08561	73.7
109.06477	6.6
109.10147	39.1
117.06982	10.0
119.08535	100.0
121.10091	57.0
123.08044	5.7
123.11657	10.2
125.09596	9.7
129.06970	5.9
131.08517	50.2
133.10080	75.4
135.07968	5.9
135.11630	21.0
143.08521	29.3
145.10091	99.5
147.07968	6.6
147.11664	34.9
149.09534	6.0
149.13188	7.6
153.09093	8.4
155.08588	5.6
157.10046	48.1
159.11609	55.8
161.13185	11.6
168.09299	6.3
169.10081	9.8
171.11635	25.1
173.13211	60.9
175.11076	8.3
175.14757	9.8
177.12691	7.4
183.11629	40.3
183.70294	4.9
185.13223	50.2
187.14709	83.3
189.16299	8.2
195.11455	6.4
197.13191	7.6
199.14784	27.0
201.12686	55.7
201.16327	8.1
203.14215	6.1
211.14771	10.8
217.15784	8.1
223.14864	6.1
239.17836	6.8
336.97919	5.6
421.30750	51.7
439.32022	71.0
449.30389	11.4
467.31555	83.1
485.32214	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	502.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	10.8
55.85369	0.8
57.03400	1.5
57.07056	1.3
58.27947	0.8
61.02896	1.7
67.05476	2.3
69.03399	6.7
69.07040	100.0
70.06555	1.1
71.04941	1.6
73.02911	1.1
79.05458	0.9
81.03381	1.9
81.07011	4.2
81.57212	0.9
83.08564	3.1
85.02876	19.5
87.04472	1.4
89.05996	75.6
93.07020	2.2
95.08554	4.0
97.02836	5.1
97.06476	1.4
103.10124	0.9
105.07021	1.3
107.07007	6.1
107.08544	1.8
109.02831	1.4
109.06447	1.4
109.10131	1.5
111.11683	8.7
119.08539	2.0
121.10092	1.5
122.14191	1.1
123.11614	1.1
127.03882	4.0
133.08556	18.3
133.10051	1.2
135.11649	1.1
137.09538	1.0
145.04956	1.1
147.11638	1.8
151.09628	2.0
177.11191	4.4
191.14250	2.0
195.12221	17.1
209.15205	1.4
211.16875	1.9
217.17931	1.4
252.01326	1.0
305.23178	3.6
323.24167	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32304	1.5
53.03934	9.9
53.62878	1.7
55.01858	9.7
55.05492	20.6
57.03414	8.2
57.07061	7.5
61.02895	8.2
67.05484	25.3
69.03403	39.9
69.07047	25.7
70.85471	1.6
71.04968	6.9
73.02896	8.6
79.05459	30.8
81.03390	24.1
81.07021	69.0
83.04946	17.3
83.08586	9.3
85.02876	86.9
85.06515	3.6
87.00792	46.9
87.04321	1.6
91.05442	30.5
93.07010	71.0
94.07269	1.9
95.04930	4.4
95.08570	70.1
97.02858	32.9
97.06496	9.8
97.10178	1.9
98.36893	1.8
99.04412	14.6
99.08060	4.2
101.05968	1.9
103.59905	1.9
105.01830	64.7
105.02545	2.2
105.06998	79.9
105.07682	3.7
107.08559	83.0
109.02837	31.4
109.06486	12.1
109.10114	38.6
111.08064	9.7
115.05452	2.4
117.06971	19.2
119.08539	69.7
120.08926	1.6
121.06452	7.3
121.10100	55.5
123.07996	13.1
123.11674	16.0
125.09586	14.5
127.03863	65.2
129.06993	3.6
130.07724	3.6
131.08525	53.2
133.10085	40.8
135.08009	9.9
135.11610	19.2
137.09593	3.2
143.08519	9.0
143.10619	2.7
144.09349	4.4
145.04947	26.6
145.10075	100.0
147.11618	25.6
149.09595	22.7
149.13258	3.1
151.11214	3.0
154.08607	4.4
157.10100	7.3
158.10902	3.1
158.79152	1.8
159.02827	9.1
159.11630	54.4
161.13200	21.9
163.11108	17.4
171.11630	2.8
172.09676	3.9
173.09616	2.1
173.13174	35.3
175.14766	20.2
177.12701	9.3
177.16348	25.6
185.13203	3.7
187.14807	3.3
191.17949	3.3
199.14842	4.0
201.16321	77.5
213.03954	3.9
219.17349	94.9
231.04854	15.6
231.33331	1.8
249.05980	10.7
301.44586	2.0
449.21832	3.2
456.31500	2.7
501.30396	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	502.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	3.1
54.92254	2.2
55.01851	5.2
55.05496	16.6
56.96528	1.7
57.03411	4.5
57.07040	8.3
58.67289	1.7
59.04975	3.0
59.24270	1.8
61.02878	2.6
67.05215	2.1
67.05488	35.0
69.03416	28.4
69.07037	15.5
71.01329	3.0
71.04961	12.4
73.02898	2.3
79.05465	26.8
79.75262	1.8
81.03385	32.0
81.07025	98.9
81.07494	4.9
83.04948	15.2
83.08601	2.2
85.02890	17.9
91.05440	25.7
93.07018	56.2
94.07342	2.3
95.04948	18.0
95.08568	98.1
97.02863	33.3
97.06501	15.9
98.91079	2.2
98.97562	2.6
99.04422	10.9
105.06990	42.1
107.04901	4.4
107.08568	52.7
109.02825	9.3
109.06485	20.8
109.10115	36.7
111.04401	12.0
111.08037	8.5
113.05968	4.3
117.06947	11.2
119.08553	26.9
121.06461	12.4
121.10110	24.9
123.04397	4.5
123.08023	12.0
123.11664	100.0
125.05909	3.7
125.09576	5.0
127.03864	8.1
129.06973	8.2
130.07719	2.1
131.08533	19.8
133.06412	4.2
133.10066	29.5
135.08029	8.7
135.11630	20.5
137.02289	12.6
137.05959	22.4
137.09569	3.9
139.03778	2.4
139.11131	4.7
142.07750	3.3
143.08517	15.4
145.02733	2.5
145.04930	3.4
145.10066	21.9
147.08009	4.4
147.11646	18.4
149.05957	3.4
149.09590	12.9
149.13171	3.1
151.07487	3.1
151.11130	45.4
153.12718	3.4
155.07043	2.7
155.08324	2.2
157.10071	8.8
159.08051	4.1
159.11665	18.8
161.05920	9.1
161.09566	15.7
163.11113	21.8
165.12701	2.3
169.10065	7.4
169.12195	15.7
169.74370	2.1
171.11592	7.5
173.09567	3.9
175.11128	4.0
177.12686	3.2
179.06958	3.6
181.12170	10.5
183.11665	3.2
185.09631	3.9
185.13127	2.6
187.11124	3.8
189.09032	3.0
189.12617	3.8
195.11583	3.0
197.07898	2.3
201.12636	3.7
203.10561	2.5
213.12717	4.5
215.09071	12.3
229.12230	5.0
231.13692	7.9
241.12231	2.5
247.13176	7.9
249.14723	3.2
257.87479	2.2
259.13193	13.4
277.14368	18.4
295.15222	37.9
313.16327	17.0
502.23007	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	501.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.2
55.07413	2.9
57.07048	3.9
58.43329	2.3
59.04981	21.9
63.80289	2.6
67.05471	17.8
69.03404	6.0
69.07032	18.8
71.04956	5.7
77.39523	3.0
79.05458	21.0
81.07025	44.5
83.04935	6.6
83.08604	3.5
85.02855	12.5
85.06499	6.4
91.05472	23.1
93.06998	51.5
94.07391	3.3
95.04929	10.6
95.08577	45.0
97.02818	3.3
97.06496	6.9
98.97565	3.0
99.08063	11.2
105.07006	47.0
107.08559	68.2
109.06485	6.0
109.10136	28.7
111.08123	4.9
117.06988	13.0
119.08545	67.4
121.06480	3.6
121.10105	38.2
123.08031	5.0
123.11676	14.2
129.06960	7.4
131.08513	41.5
133.10085	50.1
135.08095	10.0
135.11647	16.8
142.07758	5.4
143.08516	34.0
145.10077	60.0
147.07999	14.2
147.11641	34.1
149.09529	6.7
149.13216	4.4
151.07553	4.4
155.08502	7.4
157.10094	27.1
159.11627	43.1
161.09584	11.2
161.13177	31.4
163.14668	3.8
167.08511	4.4
169.10048	12.3
170.10873	6.2
171.11607	23.1
173.09538	3.4
173.13194	27.2
175.11143	5.1
175.14705	21.3
177.08800	4.2
177.12648	4.0
181.10085	4.8
183.11607	21.4
185.13148	36.6
187.14775	26.8
189.12683	14.8
189.16377	4.7
195.11642	3.7
197.13222	13.3
199.14720	25.2
201.12730	5.8
201.16347	14.9
203.14224	25.7
207.11642	4.0
207.13634	4.1
209.13290	3.5
211.14763	5.2
213.16309	6.0
217.15813	4.7
219.17337	4.3
223.14758	4.1
225.16371	6.1
229.15811	6.5
248.66328	3.9
249.14670	3.8
251.17860	3.5
271.20438	3.7
315.19705	5.0
346.26959	3.8
383.25769	12.4
389.28369	5.5
401.28201	4.6
407.29248	4.9
419.29404	4.9
425.30569	5.1
437.30304	22.3
447.27924	4.6
455.31406	100.0
465.29660	5.1
483.30969	7.0
501.32025	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	501.3202
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05485	7.9
61.52961	1.1
67.05473	9.0
69.07041	6.6
69.64245	1.2
79.05464	19.0
81.07025	18.9
83.08591	5.9
87.75538	1.2
91.05437	15.6
93.07009	30.8
95.04942	2.6
95.08574	21.3
97.34421	1.3
99.08041	8.3
103.05453	2.5
105.07001	40.4
107.08562	100.0
109.10127	12.9
117.06995	8.4
119.08540	69.7
120.08873	1.6
121.10097	31.3
123.07994	2.3
123.11656	5.9
129.06952	7.2
131.08519	29.5
133.10085	43.2
135.07997	2.1
135.11632	14.3
137.05933	1.9
142.07745	1.6
143.08516	15.4
145.06590	1.5
145.10077	41.3
147.11655	22.3
149.13240	2.0
151.07504	2.6
153.09016	1.7
155.08501	3.1
156.09271	1.7
157.10054	20.6
158.10915	2.9
159.11649	28.6
161.09499	2.5
161.13194	28.2
163.14778	6.4
169.10013	5.3
170.10869	3.1
171.11632	18.8
173.13190	25.5
175.14763	25.7
177.09059	2.3
177.12692	6.4
177.16364	3.0
179.14180	10.4
183.11662	3.0
184.12367	1.5
185.13190	23.7
187.14737	29.4
189.12740	1.9
189.16324	2.4
191.14268	1.9
195.11543	1.8
197.13197	9.7
199.14761	25.3
201.12679	2.0
201.16266	16.5
203.14217	13.3
205.12151	2.3
205.15746	2.1
209.13132	2.0
211.14749	7.0
213.16306	13.6
215.14246	1.9
217.12140	2.2
217.15767	3.2
219.13800	12.0
223.14882	3.1
225.16292	2.5
227.14313	2.2
227.17865	2.9
231.13763	5.2
233.15175	1.6
237.14760	7.9
239.18068	1.8
241.19347	1.5
245.15210	10.0
249.14630	5.7
251.17882	2.1
253.19484	5.6
257.15378	1.8
259.16888	1.7
272.36493	1.5
299.20068	1.9
342.01981	1.8
352.38785	1.5
365.24921	2.0
367.22699	2.0
373.28384	2.3
383.25864	9.9
391.29813	11.1
409.30908	6.4
419.29297	14.8
437.30301	51.8
438.30829	2.0
447.28705	3.0
455.31393	40.5
465.29691	9.3
483.30847	10.0
501.32037	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	501.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	5.1
55.05485	13.5
57.03398	4.1
57.07057	5.5
59.04972	21.1
67.05468	20.8
67.26900	3.0
69.03403	11.2
69.07056	25.0
71.04954	6.6
73.34856	3.0
79.05460	24.7
81.03362	3.2
81.06657	2.7
81.07029	38.0
81.67653	2.7
83.04945	3.4
83.08597	5.3
83.92411	2.8
85.02881	12.4
85.06498	5.9
91.05437	26.3
92.08694	3.9
92.89398	2.9
93.07015	53.9
95.04935	14.0
95.08579	42.5
97.02845	3.6
97.06484	7.0
105.07008	62.0
107.08558	62.2
109.06461	11.8
109.10122	30.7
111.08079	3.3
117.06967	15.6
119.08531	90.1
121.06447	5.5
121.10094	37.4
121.39685	3.3
123.07954	4.1
123.11664	15.5
127.03854	3.5
129.06966	14.9
131.08525	39.6
133.10092	45.7
135.07980	15.9
135.11653	14.3
136.08876	3.1
137.05774	3.1
137.09550	6.0
142.07748	3.5
143.08498	36.1
145.10072	61.3
147.08017	5.1
147.11661	32.4
149.09537	4.6
149.13181	6.3
155.08499	7.5
156.09267	4.7
157.10098	42.3
159.11635	41.0
161.09525	13.6
161.13213	33.4
163.11113	4.5
163.14783	6.3
167.08391	4.6
168.09360	4.1
169.10069	16.0
170.10860	11.8
171.11642	26.7
173.13185	36.7
175.11105	6.7
175.14726	13.6
181.10028	6.6
183.11580	23.9
185.13187	44.1
187.14751	28.9
189.12666	12.3
189.16266	4.6
191.14166	4.1
195.11748	4.1
197.13219	16.1
199.14764	33.4
201.12753	7.4
201.16325	18.1
203.14252	20.8
205.15903	3.6
207.13658	5.1
211.14766	12.8
213.16371	6.4
215.14369	3.6
217.15732	3.5
223.14719	4.8
225.16306	6.8
229.15895	14.9
249.14615	4.9
274.94543	3.0
274.97543	2.9
303.20993	3.7
383.25729	16.8
401.28162	4.1
407.29236	6.5
419.29202	14.4
425.30521	6.1
437.30524	25.4
455.31424	100.0
456.32111	3.3
465.29602	3.4
483.30493	13.7
501.20459	4.2
501.31860	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.32
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
50.20900	1.9
55.05492	11.8
57.66860	2.3
59.04978	2.4
67.05470	19.8
69.03400	2.3
69.07047	19.2
71.04968	3.7
76.25558	2.4
79.05449	24.3
81.03388	5.0
81.07027	31.1
83.04955	5.1
83.08575	3.8
85.06512	4.1
91.05440	28.9
93.07005	57.4
95.04963	5.2
95.08581	44.0
97.06477	6.0
97.10149	2.8
99.08071	21.6
100.82249	2.3
105.06998	78.3
107.08564	89.4
107.09300	3.9
109.06454	20.2
109.10126	16.3
111.08057	3.0
117.06973	20.1
119.08531	100.0
121.06425	4.4
121.10094	37.4
123.08022	11.6
123.11644	5.8
129.06955	13.8
130.60881	2.7
131.08516	70.5
133.06456	4.5
133.10091	52.4
135.08009	13.2
135.11678	20.2
137.09587	28.2
139.11154	2.7
141.06911	3.7
142.07738	5.3
143.08525	49.6
145.10086	59.6
147.08005	4.3
147.11620	27.8
149.09689	7.1
149.13231	8.7
151.11082	4.2
155.08484	15.2
156.09251	4.8
157.10049	45.4
159.11633	60.4
161.09546	14.8
161.13199	29.3
163.11160	10.9
163.14796	4.7
165.09073	9.5
167.08472	3.3
169.10075	28.2
170.10861	4.3
171.11623	33.6
173.13174	46.6
175.11115	11.6
175.14723	21.6
177.12654	4.5
179.14247	5.1
181.10074	11.3
182.10873	5.0
183.11612	22.1
185.13193	37.2
187.11089	4.7
187.14742	31.8
189.12709	4.1
193.10052	4.2
195.11606	5.5
196.12352	3.7
197.11545	4.5
197.13200	18.5
199.14752	27.3
201.12628	3.2
201.16313	15.2
203.14261	14.5
207.11687	9.9
209.13232	10.4
211.14746	21.0
213.16324	20.5
217.15869	2.9
221.13200	5.1
223.14796	4.6
225.16354	9.7
227.14388	3.2
227.17738	3.9
229.15736	5.1
231.17422	9.5
233.13156	2.7
233.15363	2.9
235.14766	4.2
239.17839	2.4
241.19441	2.5
245.12946	2.6
245.15254	5.6
245.19008	2.5
249.16563	4.8
251.17877	15.5
259.16916	4.2
269.19016	2.6
277.19406	5.0
278.20206	2.8
305.22568	5.7
349.25269	5.1
365.24554	13.9
367.26233	10.6
383.25677	9.8
391.29807	10.7
401.28220	5.8
409.30707	9.9
413.26709	10.8
419.29355	29.8
437.30417	46.8
447.28854	2.8
455.31516	44.8
465.29868	13.4
483.30743	29.9
501.31543	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3203
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
53.03924	3.4
55.01842	2.2
55.05489	14.5
57.07068	2.4
57.37356	1.8
59.04984	2.3
60.49152	2.0
61.22054	1.8
65.86037	2.0
66.77531	2.0
67.05481	18.3
69.03397	3.3
69.07026	14.3
71.04942	9.9
79.05456	23.3
81.07030	37.7
82.65759	2.1
83.08588	4.0
85.06509	3.9
85.07280	2.4
85.25540	2.0
90.03260	2.1
91.05447	39.3
93.07014	49.5
95.04909	5.2
95.08576	56.5
97.06478	16.0
99.04474	7.2
99.08062	2.7
105.07002	76.0
107.08570	65.6
109.06468	20.5
109.10132	19.7
111.08038	9.1
113.05989	8.1
117.06989	31.4
119.07738	4.6
119.08544	100.0
120.08939	2.4
121.06472	32.4
121.10094	40.4
123.07985	16.5
123.11698	4.2
128.06194	9.8
129.06975	17.2
131.08537	57.6
133.06425	4.0
133.10092	59.8
135.08035	26.4
135.11652	18.2
137.09526	5.4
142.07747	9.3
143.08540	48.0
144.09244	3.1
145.06450	3.2
145.09009	3.4
145.10089	76.3
147.07993	15.5
147.11652	38.3
149.01250	2.4
149.09586	17.8
149.13231	4.4
155.08533	18.8
156.09285	4.7
157.10077	54.2
158.10835	2.7
159.08002	9.3
159.11633	75.8
161.09564	29.9
161.12105	3.1
161.13222	44.2
163.11130	18.7
163.14809	5.2
165.09024	9.9
169.09995	15.8
170.10841	12.3
171.11646	34.5
173.09550	13.0
173.13210	46.8
175.11145	14.3
175.14812	19.4
177.12685	12.9
181.10034	3.8
182.10764	2.9
183.11650	26.7
184.12482	2.6
185.09607	2.7
185.13202	38.1
187.11096	2.8
187.14786	23.4
189.12685	38.1
189.16292	4.7
191.10550	2.5
191.14192	16.4
193.10172	2.5
195.11647	10.2
197.13132	17.0
199.11176	4.7
199.14764	33.2
201.12717	32.8
201.16351	3.9
203.14262	29.9
205.12166	2.8
205.15805	3.4
207.13750	10.6
209.13226	4.8
211.14816	11.1
213.12755	3.0
213.16277	3.7
215.14259	21.5
217.15808	27.4
219.13786	9.2
223.14693	2.9
225.16438	3.2
227.14249	4.7
227.17793	2.7
229.15816	9.4
245.01939	2.5
269.19119	2.8
275.16663	2.5
276.15482	2.5
278.33908	2.9
372.44867	2.4
379.26047	2.4
401.28152	10.1
407.29224	14.2
419.29257	25.2
427.27960	2.6
429.27347	3.6
432.10193	2.3
435.28537	2.9
437.30350	44.0
447.28729	2.7
455.31277	23.5
465.29919	22.4
483.30984	21.0
501.31619	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	501.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	6.5
67.05468	18.6
69.03403	10.6
69.07034	7.4
70.53881	2.7
71.04917	3.2
73.64563	2.9
78.84392	2.8
79.05479	24.7
79.05868	2.8
80.56648	2.4
81.07023	40.4
83.08559	2.9
91.05447	30.9
93.07005	39.9
95.08572	43.1
100.88258	3.1
105.06274	5.2
105.06989	92.2
107.08551	52.0
109.06487	4.9
109.10140	26.2
111.08024	3.9
115.05339	3.5
117.06948	21.4
119.08528	100.0
121.06417	4.3
121.10082	41.3
123.08009	14.1
123.11675	3.9
129.06976	11.1
130.07664	4.4
131.04849	5.0
131.08514	54.8
133.10086	46.1
135.06947	2.8
135.07964	10.9
135.11636	13.5
137.13242	2.9
141.06982	5.2
142.07710	12.6
143.08496	32.8
144.09273	4.7
145.10054	58.2
147.08002	21.5
147.11571	20.9
149.05931	25.1
149.09554	29.1
149.13219	15.8
155.08502	19.3
156.09264	6.4
157.10071	46.9
158.10765	3.3
159.07994	6.0
159.11632	52.8
161.09541	5.9
161.13179	14.3
163.07370	3.9
163.11195	3.9
163.14778	5.3
165.09027	3.5
167.08551	4.4
168.09236	3.2
169.10085	24.0
170.10834	5.2
171.11641	38.8
173.09573	5.7
173.13196	43.7
175.11099	3.5
175.14774	18.7
177.12634	3.8
178.21117	3.0
181.10056	11.8
182.10907	5.2
183.11627	66.4
184.12430	3.4
185.13156	46.3
187.11232	3.5
187.14827	21.3
189.12654	3.4
191.14320	5.1
195.11607	6.2
196.12456	3.4
197.13123	22.8
199.14734	16.9
201.12677	91.8
201.16360	4.1
203.14233	6.6
205.12213	11.9
209.13255	12.0
211.14677	6.6
213.16252	5.0
215.14238	5.3
217.15785	3.9
219.13680	20.5
221.13170	3.8
223.14711	12.0
225.16251	6.1
229.15831	4.7
235.14766	4.3
237.16304	6.7
243.13663	4.5
247.13077	34.0
249.16174	4.9
257.15347	4.2
277.19351	3.2
319.23953	5.9
330.44055	3.5
365.24396	12.3
373.16174	3.9
401.28143	3.3
419.29138	28.4
429.27380	5.5
437.25104	4.0
437.30383	21.5
447.28558	13.8
455.31470	28.7
465.29904	27.3
483.30679	25.3
501.31573	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	501.3199
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
53.43558	1.4
55.05484	8.0
67.05477	2.3
69.07028	2.4
79.05448	7.9
81.07020	10.2
83.04945	6.7
91.05457	6.5
93.06998	17.0
95.04913	2.8
95.08572	15.5
97.06486	2.7
97.29803	1.8
99.08068	17.6
103.05401	2.1
105.06998	29.0
107.08559	34.3
109.06486	2.2
109.10123	7.7
117.06979	3.9
119.08540	53.3
121.10102	23.2
123.08021	4.1
129.07042	2.2
131.08507	28.3
133.06451	10.9
133.10075	23.3
135.08020	8.5
135.11667	8.4
143.08504	15.4
145.10081	27.2
147.08083	2.5
147.11684	8.1
149.09570	7.5
149.13245	3.4
155.08482	3.2
156.09302	3.2
156.86945	2.0
157.10081	13.5
158.10878	3.1
159.08051	8.2
159.11635	15.5
161.09554	30.3
161.13182	13.8
163.07497	6.8
163.11125	4.0
169.10086	7.2
170.10803	2.4
171.11670	11.2
172.12395	1.9
173.09567	3.8
173.13208	19.4
175.11151	3.0
175.14742	16.5
179.14198	3.4
183.11655	9.5
185.09523	2.2
185.13173	21.2
187.11166	8.3
187.14734	40.4
189.12683	8.5
189.16190	2.8
191.14258	4.2
195.11736	3.4
197.13266	2.6
199.11153	2.5
199.12930	1.9
199.14793	3.9
201.12592	2.0
201.16241	2.3
203.14238	24.5
205.15810	8.2
213.12848	3.0
213.16125	1.7
215.14311	8.0
219.13734	1.7
221.15312	2.4
223.71944	1.9
225.16342	2.7
227.14330	2.3
231.13759	3.3
233.15262	6.4
249.14835	12.0
255.70076	1.9
284.51016	1.9
347.23642	2.0
365.24554	7.2
383.25610	16.9
419.24115	3.7
419.29318	8.7
437.30307	20.0
455.31387	93.5
483.30643	15.6
501.31931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1592
Annotation	kn-93
Peak:m/z	Relative Intensity
58.79254	0.5
69.03400	2.9
73.75343	0.5
81.18652	0.5
83.04947	0.6
85.02896	1.3
89.03876	0.9
91.05441	8.6
97.21411	0.5
99.04390	0.6
111.04394	0.9
117.03353	2.1
119.04046	1.2
119.04895	24.9
119.29307	0.5
135.04370	6.0
137.05879	2.3
138.06276	0.6
139.03787	0.6
142.04245	0.5
145.02818	5.8
147.04362	100.0
163.03827	24.2
184.64186	0.6
197.37698	0.7
213.21466	0.5
307.67099	0.6
309.09451	0.9
347.15921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01871	1.4
55.05496	15.1
57.07053	6.3
59.04977	1.4
67.05478	17.5
69.03401	17.3
69.07036	8.7
69.66947	1.1
71.04966	37.7
73.06506	5.3
79.05462	31.0
81.03359	4.1
81.07024	48.0
83.04948	6.8
83.08595	8.5
85.02881	3.0
85.06512	19.3
86.09695	1.3
91.05445	18.7
93.07010	86.8
95.04916	13.6
95.08566	19.2
97.02862	1.8
97.06490	5.6
97.10142	12.9
99.08060	1.5
105.07001	26.7
107.08563	100.0
109.06474	6.6
109.10113	8.9
117.06972	6.8
119.08537	41.4
120.42317	1.2
121.06474	6.9
121.10096	85.5
123.08061	2.4
123.11650	12.2
125.09581	49.9
129.06940	2.6
130.07776	2.3
131.08537	13.2
133.10094	10.0
135.08000	5.2
135.11653	35.8
137.09575	1.7
137.13234	1.6
139.11118	5.5
141.06984	1.2
141.12749	1.6
143.08559	7.6
143.10629	94.8
145.10091	24.0
147.11642	9.5
149.09633	2.6
151.11195	1.6
155.08527	2.0
156.09248	1.4
157.10065	8.6
159.11618	12.4
161.09607	1.5
161.13206	5.2
163.11113	28.5
167.10603	6.1
168.09447	1.5
169.10048	5.6
170.10759	1.7
171.11627	5.1
173.13174	11.8
175.11113	1.5
175.14792	2.1
183.11658	2.9
185.09619	1.4
185.13156	5.8
187.14784	7.3
189.12663	1.6
195.11626	1.5
197.13220	2.4
199.14809	10.2
201.12636	4.4
201.16400	1.3
203.14244	1.5
211.14778	1.8
213.16304	2.0
215.14159	1.4
217.15714	1.5
227.17909	1.2
229.15659	1.5
285.21848	2.2
294.52985	1.3
303.23071	15.7
321.24167	5.7
419.29373	3.0
437.30588	1.7
455.31226	2.9
460.61200	1.2
465.29974	2.6
501.30334	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	501.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01843	1.9
56.05124	0.4
57.03410	2.0
61.02895	2.4
69.03396	4.7
70.06562	0.5
71.04929	0.5
77.23344	0.5
81.03362	1.7
81.07034	0.5
85.02874	12.0
89.03829	0.7
91.05399	0.5
91.69423	0.4
95.04915	0.7
97.02862	4.0
98.97510	0.5
99.00791	0.7
99.04441	0.7
103.05409	0.8
107.04913	0.8
109.02787	1.0
111.04383	0.8
119.04877	1.0
121.02819	1.6
123.04405	4.9
127.03854	1.0
127.32265	0.5
131.04874	3.6
135.04355	3.3
139.03853	1.1
145.02768	2.4
145.04921	0.9
147.04362	21.0
149.02306	7.7
149.05943	1.1
151.03880	0.6
157.02826	0.5
159.04356	2.9
159.49992	0.4
161.05930	2.4
163.03831	14.9
165.05388	0.5
173.05930	0.6
175.03769	4.4
177.01816	6.5
177.05414	4.7
187.03859	5.1
189.05403	1.1
192.97704	0.5
195.40843	0.5
198.48253	0.5
201.05457	0.6
203.03326	100.0
205.04893	7.7
207.07977	0.6
213.05386	0.8
215.03319	8.0
217.04897	0.5
219.02759	2.4
229.04860	3.1
231.02823	14.3
233.04381	4.5
235.07518	0.5
257.04401	0.6
259.05820	0.6
261.03836	8.1
263.06827	0.9
279.04907	14.3
280.43912	0.5
281.07953	0.9
291.04849	11.2
303.04803	2.0
321.05984	2.5
339.06955	6.4
437.23538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72812	0.9
53.00291	1.1
53.03918	1.4
55.01853	1.1
55.05490	2.0
57.03408	1.0
57.07059	1.1
60.99474	1.0
65.39674	1.0
67.05473	5.3
69.03393	8.6
69.07044	2.6
71.04961	16.8
73.02844	0.9
77.57896	0.8
79.05475	7.4
81.03379	8.5
81.07023	11.9
83.04924	1.3
83.08582	2.4
85.02858	13.3
85.06494	4.9
87.00787	6.3
91.05438	7.8
93.07005	12.1
95.04907	2.5
95.08553	7.0
97.02850	8.2
97.06491	1.2
98.97510	1.3
99.04424	1.9
105.01826	5.2
105.06995	69.2
106.07301	1.3
107.08555	18.1
109.02824	6.5
109.06460	5.2
109.10110	4.6
110.06763	1.0
117.06963	5.4
119.04855	1.8
119.08534	47.3
120.08858	1.2
121.06448	1.4
121.10072	5.4
121.15593	1.1
125.09515	1.3
127.03844	7.1
127.07471	1.3
128.06163	5.6
129.06979	1.3
130.07710	1.9
131.08510	7.1
133.10110	8.7
135.07944	1.3
135.11623	1.5
142.07732	6.9
143.08513	37.0
145.04968	1.8
145.06505	1.3
145.10068	34.6
147.11635	4.4
149.09540	1.3
149.13213	1.1
154.11366	1.1
155.08498	1.4
157.10068	37.0
159.02803	1.6
159.11592	6.8
161.13177	4.1
163.11226	1.3
169.10091	2.1
170.10750	1.5
171.11610	7.1
173.13141	4.6
175.11093	1.5
185.13000	1.5
187.14719	3.9
189.16310	4.4
193.10150	1.3
195.11617	1.3
199.14752	73.4
217.15799	100.0
321.24023	4.2
453.29675	1.2
454.30322	1.9
462.58716	1.0
491.21869	1.2
499.29950	1.5
500.30429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	3.5
57.03423	0.8
61.02904	0.3
69.03397	1.3
70.06573	1.4
73.02883	0.4
77.00906	0.2
81.03399	0.3
82.84823	0.2
83.04942	0.3
84.08117	0.2
85.02877	3.3
97.02838	1.3
98.97543	42.5
100.99099	0.2
101.00836	0.8
110.97532	0.3
112.07558	1.3
112.99118	0.5
116.98580	22.0
119.00118	0.9
119.01875	3.5
119.04868	0.2
120.02544	0.2
124.99091	1.0
127.03883	1.2
128.98566	1.3
131.00110	3.7
131.01776	0.3
133.03459	0.3
134.99606	8.0
136.93019	2.0
137.02933	0.3
137.05972	0.3
139.02373	0.4
143.00128	6.0
143.01828	1.1
145.03413	1.6
145.04901	0.4
146.99614	1.1
147.03241	0.4
147.04366	1.5
149.01166	10.1
151.04424	0.3
153.00656	0.3
154.94121	5.8
155.00102	1.7
155.01874	0.3
157.03413	3.6
158.08073	0.9
158.99608	5.3
161.01166	9.7
161.02884	2.3
163.02664	0.4
163.03903	1.2
164.04237	0.2
165.00630	0.4
167.02206	2.9
172.95166	11.3
173.01184	4.8
173.02731	0.7
175.02946	0.3
175.04436	2.3
177.00656	6.1
177.04147	0.2
179.02209	7.3
185.01169	0.9
185.02899	0.5
187.02692	0.4
187.04346	0.2
190.96214	5.1
191.02185	4.1
196.95123	0.3
197.03249	4.6
201.00699	0.2
201.06110	0.2
203.02242	0.4
203.03975	0.4
205.05519	1.3
209.03128	0.2
210.96770	0.4
214.96245	2.6
215.04108	0.3
219.01587	0.3
221.03227	2.0
223.01199	0.2
223.06546	6.2
225.06258	0.4
228.97778	1.8
231.02844	0.5
232.03189	0.2
232.97266	0.5
237.02753	0.3
239.04301	14.7
241.07605	2.9
242.07642	0.3
245.04956	1.0
246.98853	0.3
247.04831	0.2
257.05338	4.3
262.05899	0.3
265.07690	0.4
267.07474	0.3
273.08005	0.4
279.09161	0.3
281.06885	0.3
300.99811	0.4
319.00894	100.0
320.01215	0.4
337.01956	18.3
337.09586	3.1
360.03525	0.9
367.10355	0.3
387.13275	2.1
427.15796	0.2
501.08640	2.3
501.16388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18668	1.2
55.05475	7.3
56.96544	1.4
57.03408	1.6
58.66784	1.2
62.06060	1.7
63.07352	1.4
67.05474	7.0
69.03389	3.7
69.07034	7.0
71.04958	16.0
78.92027	1.4
79.05444	7.5
81.03384	2.8
81.07017	17.2
83.04939	5.7
83.08598	1.4
85.02856	7.0
85.06485	2.5
87.00786	1.9
91.05460	10.6
93.07004	16.8
95.04920	2.6
95.08562	9.9
97.10181	1.5
98.97519	1.8
99.04387	3.2
105.01833	2.2
105.06997	68.5
107.08554	20.2
108.62942	1.3
109.02817	1.4
109.06477	2.2
109.10097	3.2
111.00143	1.9
117.06992	3.0
119.04868	3.6
119.08538	40.5
120.08880	2.8
121.06461	1.5
121.10104	11.8
123.08009	7.7
127.03893	1.9
128.06203	2.1
129.06952	3.3
131.08513	10.9
133.10086	17.3
135.08002	8.3
135.11638	7.1
142.07713	7.6
143.08508	31.3
145.04941	1.7
145.10081	25.1
146.10396	2.9
147.07997	5.8
147.11655	3.3
149.09592	2.0
155.08447	2.0
157.10069	35.0
159.08032	1.6
159.11607	16.0
160.11940	1.4
161.09558	9.9
161.13164	5.7
170.10817	2.1
171.11639	8.3
173.13200	10.3
174.13524	1.6
175.11148	2.6
175.14732	6.4
176.14944	1.6
177.00624	1.5
183.11697	2.4
185.13162	3.0
187.11110	3.2
187.14723	5.7
189.12714	5.8
199.14751	64.3
201.12653	2.3
201.16219	1.7
203.14285	2.5
215.14139	2.0
217.15807	100.0
218.16342	1.7
265.38638	1.6
277.21527	1.7
277.28229	1.7
317.48038	1.5
370.05347	1.8
426.30518	2.7
456.27896	3.7
463.28241	2.2
469.74304	1.5
499.30460	11.3
500.30374	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	500.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92612	0.2
53.03924	1.0
55.01867	0.2
55.05493	2.1
57.03424	2.6
58.62558	0.2
64.43054	0.2
67.05473	1.2
69.03408	4.8
69.07050	0.6
71.04961	0.6
75.04446	3.4
79.05467	9.4
81.03388	4.6
81.07029	3.8
83.04947	0.6
85.02868	3.4
91.05442	6.6
93.07010	50.2
94.04150	2.0
95.04929	2.1
95.08567	2.1
97.02851	4.1
97.06485	0.4
99.04439	0.5
99.32150	0.2
103.05433	0.3
105.06995	4.3
107.04877	0.4
107.08554	7.7
109.02855	2.0
109.06508	0.6
111.04392	0.4
111.08050	3.3
117.06921	0.3
119.08530	4.6
121.06464	0.4
121.10102	39.4
122.03606	6.3
123.08005	1.4
123.11704	1.0
127.03879	1.5
129.06947	0.5
131.08556	1.9
133.07675	0.3
133.10033	0.3
135.07959	0.3
137.05936	100.0
138.06306	0.3
139.11145	1.7
145.04970	0.4
145.10057	0.3
149.09569	4.6
159.08078	0.3
159.93440	0.3
163.03812	0.5
167.10609	7.5
175.07466	0.3
177.09126	0.3
189.09007	0.5
190.29449	0.3
191.06972	0.2
195.08081	0.3
201.09027	0.5
227.10498	0.5
257.15234	1.3
275.12277	0.3
285.14911	0.4
293.13644	1.6
303.15732	0.3
311.14810	4.1
329.15836	0.6
410.93970	0.2
440.22186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
53.67033	0.8
55.01855	1.3
55.05480	5.3
57.03410	4.7
58.47688	0.8
59.71220	0.9
61.02874	0.9
62.55604	0.9
67.05479	2.2
69.03409	18.8
69.07039	2.4
70.69755	1.0
71.04967	1.5
75.04435	2.1
77.18559	1.0
79.05470	16.1
81.03392	19.6
81.07022	8.3
82.11597	0.9
83.04939	1.7
83.08582	1.9
85.02872	12.3
85.06533	0.9
87.04435	1.4
91.05431	17.1
93.07011	100.0
95.04912	6.8
95.08575	5.4
97.02847	10.4
97.06517	3.6
97.10120	1.7
99.04423	2.0
103.05434	1.3
105.06977	11.7
107.08559	13.3
109.02858	8.1
109.06487	1.7
109.10156	1.1
111.04472	1.1
111.08044	4.5
111.94167	1.0
117.06950	1.4
119.08539	21.6
121.06491	2.4
121.10106	86.4
123.08025	5.2
127.03823	4.4
131.04919	1.1
131.08534	9.6
137.02293	1.2
137.05963	1.7
137.09613	1.2
139.11133	1.8
145.02759	1.4
145.04802	1.3
149.09595	22.7
163.03822	2.3
167.03348	7.2
167.10640	9.5
173.45111	1.1
189.05380	4.0
216.39778	1.0
229.08397	3.5
257.11594	1.4
283.15283	1.1
293.13788	8.1
311.14725	13.4
416.43091	1.2
474.39862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.6
55.01852	1.8
55.05490	3.1
57.03413	4.6
61.02911	0.4
67.05484	1.3
69.03402	16.4
69.07015	0.5
69.49698	0.3
71.04961	1.4
73.02888	1.7
75.04448	3.4
75.27200	0.3
79.05460	15.8
81.03385	14.7
81.07020	4.8
83.04961	2.0
85.02871	7.6
87.04429	0.8
88.62956	0.3
91.05444	14.9
92.08696	0.8
93.07003	97.2
95.04920	3.6
95.08566	2.9
97.02851	8.4
97.06483	0.6
99.04418	2.5
103.05424	0.7
105.04483	0.7
105.06989	12.9
106.07783	1.4
107.04916	0.6
107.08559	9.0
109.02850	5.8
109.06483	1.3
111.04395	1.4
111.08031	3.9
116.06188	1.6
117.06932	1.4
119.08536	27.7
121.06461	3.1
121.10094	100.0
122.10365	0.4
123.08002	4.1
123.11564	0.6
125.05869	0.4
127.03901	3.9
129.05438	0.8
129.06964	0.8
131.08511	9.7
133.07552	1.4
133.10022	0.4
137.02286	3.7
137.09566	0.5
139.11156	2.9
145.04950	2.4
145.10045	0.6
149.09569	31.7
157.10022	0.5
167.10612	12.7
184.11862	0.3
188.14528	0.3
206.07565	0.4
221.41830	0.4
275.12686	0.3
283.15335	0.6
285.11011	0.6
293.13708	8.5
311.14774	15.8
406.41080	0.5
447.16031	1.3
518.14172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.20107	0.7
55.01865	0.9
55.05490	1.4
57.03414	1.8
60.08143	9.4
60.90990	0.6
67.05476	1.1
69.03404	1.4
69.07041	1.6
71.04965	0.8
71.07344	1.7
79.05470	1.6
81.07014	1.3
83.04951	4.1
85.02896	0.9
85.50237	0.8
86.09676	45.5
89.03876	1.1
91.05431	2.8
93.07020	1.5
95.04922	1.8
95.08595	0.7
97.06493	5.0
98.98428	3.5
104.10705	3.7
105.07024	1.1
107.08537	1.0
111.04411	3.2
115.05397	1.3
117.03330	4.2
117.06984	1.1
123.04395	4.1
124.99963	29.6
129.06955	2.8
131.04912	0.8
131.08508	1.2
133.06447	1.8
133.10091	1.3
135.04373	10.6
139.03867	1.1
141.06964	5.6
141.24269	0.7
142.07799	0.9
143.04907	1.6
143.08528	3.1
145.02835	8.9
145.06464	1.2
147.04361	3.8
149.05936	0.8
152.06206	1.2
157.10066	3.8
159.08073	1.3
160.05055	5.4
161.05933	18.3
163.03842	62.1
165.06927	1.1
167.03342	1.7
167.08521	7.8
169.06407	7.5
171.07950	3.3
173.05919	12.6
174.06758	1.9
175.03824	5.8
175.07497	1.8
181.06311	1.0
184.07281	100.0
185.05930	1.5
185.09525	5.2
187.07486	21.8
189.05385	2.9
189.09047	17.3
193.04916	0.8
195.07990	13.1
197.05879	10.0
199.07507	1.3
200.04654	0.9
201.05426	5.6
202.06293	1.0
203.07022	1.4
203.10628	1.4
212.04823	1.0
213.05460	3.4
213.09030	10.6
215.06976	37.0
215.10457	1.0
217.04968	1.3
217.08510	3.1
223.07442	11.0
226.06360	0.9
229.14252	0.9
231.10165	8.1
241.08516	26.9
243.10046	6.8
247.09581	9.2
259.09573	26.0
273.11066	4.2
277.10577	0.8
291.12180	3.5
425.06003	0.8
432.21002	1.1
450.22256	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	500.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27929	0.4
53.03909	0.5
55.01838	0.6
65.03910	3.5
69.03402	2.0
72.84126	0.5
73.02874	0.6
81.03380	4.0
83.04951	0.6
85.02885	4.4
93.03368	6.3
97.02859	2.7
108.12592	0.5
109.02826	2.5
111.04404	26.5
127.03872	3.1
137.02299	100.0
137.03394	6.6
139.03845	55.5
141.16389	0.5
145.04933	0.9
153.05505	0.7
153.12643	0.6
155.03334	35.6
167.03333	30.4
185.04382	0.8
221.40662	0.6
281.06274	0.6
299.07587	0.7
371.82639	0.6
376.86783	0.6
446.87302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77354	0.4
53.03920	0.5
53.82384	0.4
55.05491	0.8
57.03411	0.5
65.03911	0.7
67.05460	0.9
68.57157	0.5
69.03401	0.4
69.07046	1.7
79.05446	2.0
81.03380	0.5
81.07013	0.6
83.04955	3.1
85.02887	0.8
86.09636	0.7
89.03912	3.7
89.72863	0.5
91.05435	2.0
92.09413	0.6
93.07005	1.9
95.04933	0.9
95.08533	0.6
97.06490	5.0
105.07019	0.7
107.04933	1.8
107.08579	0.6
111.04423	3.3
115.05437	0.9
117.03336	5.8
121.06451	2.0
123.04382	3.8
128.06221	0.6
135.04373	15.3
138.07843	0.5
139.03877	1.7
141.06937	0.8
145.02809	15.4
147.04361	4.9
153.12901	0.5
157.06473	0.8
157.10068	0.8
160.05124	1.1
161.05901	5.8
163.03847	100.0
167.03322	2.0
167.08488	5.3
169.06419	1.9
171.07996	2.4
173.05942	8.1
175.03828	1.1
175.07414	1.0
177.05348	0.8
184.05205	0.7
184.07300	2.5
185.05954	0.8
185.09589	1.2
187.07507	4.8
189.05473	3.4
189.09088	5.4
193.08426	0.5
195.07999	8.4
197.05873	2.8
198.06712	0.7
201.05371	2.2
203.06964	0.9
203.10657	2.2
213.05388	0.9
213.09018	7.2
215.06985	7.0
215.10629	1.1
217.08508	3.0
223.07501	6.0
226.06204	1.0
231.10075	4.8
241.08473	12.1
243.10037	1.2
247.09579	2.0
259.09564	18.4
273.11084	0.6
303.34299	0.6
355.10187	0.8
413.16849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58695	0.5
50.79901	0.5
55.01855	0.7
56.06794	0.5
64.98042	0.5
67.05502	0.7
68.99772	1.4
69.03397	3.3
70.06554	0.9
70.52439	0.6
71.04967	0.7
81.03381	2.6
81.07022	1.0
83.08592	0.8
85.02882	6.0
91.05415	0.6
93.07010	0.6
95.04932	0.9
95.08562	0.6
97.02842	3.7
101.64069	0.5
109.02814	3.9
109.06468	0.8
111.00755	2.4
111.04420	1.0
121.06465	0.6
123.04385	1.1
127.03886	2.6
135.04376	0.6
136.06226	0.7
137.02299	43.0
137.05942	3.1
145.02853	0.6
147.04367	1.1
149.02301	1.2
151.03905	0.9
153.01779	100.0
161.05936	0.7
163.03838	7.3
164.04155	0.9
165.01776	21.3
167.03329	0.9
170.01907	0.6
171.02872	1.0
175.09683	0.6
183.02873	3.1
201.05426	2.1
229.04831	7.3
247.05855	5.3
257.04358	15.7
274.04666	4.4
275.05350	13.0
303.04886	33.9
321.06003	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	31.3
55.23917	2.8
57.03410	3.5
57.07050	14.9
58.06574	15.2
59.04956	5.2
59.07347	4.4
63.08157	3.2
67.05481	29.5
69.07050	25.8
70.41656	3.0
71.04970	4.0
72.67001	3.1
79.05441	25.6
81.07023	49.6
83.08578	18.2
91.05429	28.0
93.06998	41.8
95.04930	14.3
95.08566	68.6
97.10162	5.2
99.08064	5.2
105.07001	48.7
107.08564	60.1
109.06507	5.2
109.10136	45.7
111.08167	3.1
113.05978	3.8
117.06973	8.1
119.08533	100.0
121.10109	45.8
123.08006	5.7
123.11668	22.1
127.07503	4.6
129.06931	3.8
131.08525	34.6
133.06406	4.4
133.10104	43.0
135.11659	15.8
137.13205	6.7
140.30493	3.4
142.07742	6.9
143.08530	24.4
144.02692	3.7
144.09290	4.9
145.10063	97.8
147.07999	5.8
147.11650	38.4
149.13237	18.5
155.08517	4.4
156.09311	5.3
157.10048	48.2
159.11615	42.6
161.09569	7.7
161.13168	15.9
163.07465	5.3
165.09065	19.5
170.10838	15.8
171.11609	34.8
173.13220	37.3
175.14806	18.2
177.16422	3.9
179.10611	7.1
183.11615	18.0
184.12500	4.3
185.13228	34.1
187.14737	36.4
189.16377	16.3
190.78436	3.3
193.12218	5.3
197.13214	7.4
199.14751	80.0
201.16295	26.8
209.13165	3.6
213.16373	6.7
215.18063	3.5
227.17892	3.7
229.19458	3.8
235.16895	4.9
236.14844	57.2
237.15166	7.1
245.15184	4.2
253.17783	46.0
265.17871	15.9
267.19501	4.6
293.20932	6.0
311.26001	3.8
379.39969	3.4
416.76352	3.6
449.31741	3.9
453.33493	26.4
498.37317	14.4
499.38348	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	499.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83072	0.7
52.19855	0.6
55.05487	4.7
67.05474	4.4
69.07030	4.5
71.04958	0.9
71.16447	0.7
78.70914	0.7
79.05443	6.1
81.03390	3.5
81.07014	15.4
83.04937	1.3
83.08586	1.5
85.02790	0.8
85.06496	0.8
91.05432	6.5
92.63283	0.7
93.07008	11.3
93.76866	0.8
95.04928	3.9
95.08557	10.0
97.06478	1.7
97.86405	0.9
101.57051	0.7
105.06985	28.7
107.08552	15.2
109.06513	5.8
109.10120	3.6
117.06973	4.3
119.08529	34.5
121.10098	6.6
123.08014	9.2
129.06969	4.0
131.08501	22.3
133.06453	1.7
133.10078	16.5
135.08023	3.7
135.11685	3.1
136.13361	1.0
137.09549	1.3
141.06975	1.1
142.07739	3.7
143.08502	14.7
144.09262	1.6
145.06369	1.1
145.10069	25.8
147.08020	3.9
147.11626	8.5
149.05931	1.0
149.09534	1.4
149.13199	1.0
151.11168	3.0
153.64149	0.8
155.08556	1.8
156.09299	3.0
157.10074	21.2
157.11247	1.5
158.10857	3.6
159.08011	1.3
159.11618	30.2
161.09549	7.2
161.13199	3.2
163.14694	1.1
168.09315	1.5
169.10100	3.7
170.10820	3.8
171.11597	8.4
173.09616	1.7
173.13185	49.3
175.11115	6.2
175.14771	16.0
177.12640	1.3
181.10103	1.4
182.10744	0.9
183.11629	11.2
185.09647	1.1
185.13182	31.8
187.11194	1.8
187.14810	3.5
189.12737	4.2
191.14232	0.8
195.11763	1.0
197.13232	3.5
199.11047	1.0
199.14801	3.1
201.12675	35.5
203.14206	13.3
209.13148	1.5
211.14836	1.3
215.14270	1.9
217.12216	1.3
217.15814	1.4
219.13689	9.5
219.43640	0.8
243.13832	4.5
247.13174	100.0
247.24203	0.8
248.13539	1.1
268.01321	0.8
330.04181	0.9
371.28271	0.9
391.25970	1.2
435.28845	1.8
437.26825	4.7
453.29779	7.3
455.27725	52.2
463.27975	1.6
471.30692	1.8
472.58667	1.0
481.29669	5.6
499.30289	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	499.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	7.7
61.37330	4.7
62.25497	4.0
65.79483	4.6
69.03394	5.8
70.82114	4.3
71.76357	4.4
83.75253	4.6
85.02921	5.5
92.30351	4.5
93.17519	5.1
97.02829	8.5
101.00827	9.9
116.98547	6.0
117.65257	5.5
119.01872	62.4
131.01843	27.5
137.02890	8.5
143.00177	6.0
143.01796	24.0
145.02394	5.5
145.03438	90.9
147.01300	6.3
147.04353	6.4
155.01825	34.2
156.97432	5.6
157.03409	30.5
161.02893	59.7
163.04420	18.6
167.01840	8.9
171.01343	8.6
173.02908	100.0
174.98499	18.3
175.04506	9.8
179.01883	6.5
185.02832	74.7
187.04491	9.2
189.00729	5.0
189.02306	8.0
197.02863	18.6
198.98466	35.8
203.03894	27.0
208.99684	5.4
213.00096	7.4
215.03934	20.4
217.01881	59.9
221.04944	8.2
223.06691	7.9
227.03920	8.4
229.01851	7.3
235.02884	29.5
239.04002	7.1
245.04965	90.4
257.04840	16.9
275.06049	8.2
277.04034	8.8
293.39719	6.5
303.03152	39.0
319.00543	5.4
319.04892	26.4
321.00699	5.1
321.04202	30.6
337.05994	22.5
365.00238	6.8
365.09116	8.0
393.15448	5.6
401.00378	6.0
434.76245	5.3
499.11261	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	498.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52759	1.4
54.54839	1.4
55.05485	4.0
57.06786	2.6
57.07055	54.5
59.04985	2.0
66.49583	1.6
67.05486	1.8
67.45270	1.5
69.41917	1.4
71.08602	30.2
73.06517	2.4
81.07011	1.7
85.10144	19.8
85.92446	1.6
87.04430	3.4
89.05994	100.0
93.07011	2.8
95.08546	4.1
99.11703	2.4
105.06996	2.2
107.08607	3.1
119.08552	2.7
121.10094	2.0
133.08545	26.0
133.10077	3.1
149.13229	1.9
161.13251	1.7
177.11200	11.4
199.79654	1.7
243.23164	4.2
274.76407	1.7
283.17325	2.9
287.25732	6.9
305.98813	1.8
327.19931	12.1
411.32333	1.8
481.37082	26.4
499.37592	17.3
503.62054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
54.74879	1.1
55.01852	5.0
55.05488	5.8
57.03414	11.6
58.94315	1.2
59.04978	24.8
67.05474	7.0
69.03403	36.4
71.04967	3.1
73.02869	2.3
79.05465	5.5
81.03418	1.5
81.07024	38.2
83.08596	5.1
84.44815	1.4
84.73730	1.1
85.02878	25.4
85.06539	1.3
87.04437	38.8
89.06020	1.5
91.05445	15.3
92.98905	1.3
93.07003	100.0
95.04954	6.7
95.08562	5.0
97.02843	23.2
105.06985	19.5
107.08549	10.7
109.06470	7.0
109.10137	5.8
111.08044	58.8
115.03889	20.8
121.10088	8.9
123.08005	2.1
123.11660	15.8
126.48167	1.2
127.03834	1.7
130.06570	1.4
133.04924	13.3
133.10072	22.7
136.67967	1.2
145.04948	2.2
151.11122	33.6
153.75153	1.3
169.12177	51.6
187.13214	51.0
188.73174	1.3
216.40105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36291	0.3
54.77676	0.4
65.32173	0.4
69.07023	0.6
81.07010	0.5
89.66270	0.4
90.63599	0.4
92.09309	0.5
95.42120	0.4
105.06957	0.6
105.70283	0.3
107.08573	0.6
107.17831	0.4
109.10186	0.5
115.30222	0.3
119.08533	0.9
121.10105	0.5
132.30772	0.4
133.10094	0.6
143.05090	0.4
145.10094	0.6
173.50751	0.4
497.32260	100.0
498.32706	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63828	1.8
57.07043	3.0
63.93435	2.4
64.44933	2.2
89.05995	12.9
91.53602	2.5
91.83487	2.0
94.50672	2.2
120.59123	2.2
122.44577	2.1
156.78050	2.1
184.98738	2.4
283.17386	4.3
497.39459	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
57.03409	0.8
61.02900	2.0
64.64845	0.5
65.03908	0.9
67.05480	3.3
69.03410	5.1
69.07040	73.4
71.04964	0.5
73.02873	0.6
79.05449	2.0
81.03362	3.9
81.07020	5.3
81.70925	0.6
85.02873	10.3
92.04974	1.9
93.07021	0.5
93.32833	0.5
94.06496	3.7
95.04971	0.7
97.02825	4.5
97.06486	12.3
99.41179	0.6
107.22909	0.5
108.04469	0.6
109.02836	1.3
109.06451	0.7
119.03638	0.7
119.04890	0.5
121.05219	0.6
122.05967	8.9
124.07570	1.3
127.03841	1.0
137.05920	3.2
138.05455	5.3
140.07013	7.8
142.08669	0.7
144.08012	0.8
145.04967	0.5
145.08829	2.6
145.10025	1.2
146.09575	4.4
147.06737	0.9
148.03909	1.0
148.07567	0.6
150.05452	73.2
152.03346	0.7
157.08769	2.2
158.09723	0.8
159.10431	0.7
160.07509	1.0
160.11142	0.6
161.08305	6.3
162.09100	3.8
164.03352	0.9
165.04103	0.8
166.04932	28.7
166.06305	1.1
168.06511	0.7
172.07559	1.1
172.11121	5.0
173.08246	0.8
174.09119	2.3
174.12698	8.2
176.03358	7.4
178.04930	3.1
182.04416	0.6
185.08311	2.4
186.07536	0.7
188.10660	2.4
190.12202	6.0
192.02795	1.0
194.04477	3.1
198.09204	0.9
200.10634	9.5
200.12019	0.6
202.12215	8.1
206.11623	0.5
213.10138	0.8
216.10168	5.1
218.08218	0.8
218.11678	24.9
226.08617	0.7
227.11603	0.6
228.10115	17.4
229.13223	0.6
234.11165	3.8
243.11253	0.9
244.09561	2.9
245.12820	1.9
246.11162	17.6
246.13547	0.9
254.07913	0.7
255.11247	1.9
256.09503	2.0
257.09137	2.6
260.08884	0.6
261.12286	0.8
262.10596	0.7
271.07983	0.8
271.10577	6.1
272.09061	3.8
273.12308	2.4
274.10629	2.1
286.94547	0.6
287.10202	10.7
289.11728	6.5
290.10083	1.1
299.10098	6.5
317.11203	27.5
318.09772	2.4
335.12234	100.0
497.17358	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	496.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55949	3.7
51.38269	3.2
52.33574	3.4
53.31479	3.5
55.05495	21.7
57.07044	7.8
61.89191	3.5
62.75722	3.4
63.77917	3.0
67.05470	26.5
69.07027	32.1
79.05461	24.9
80.47121	3.6
81.07035	70.7
83.08604	18.0
90.90580	4.2
90.94906	3.5
91.05444	19.7
93.07006	51.8
95.08568	100.0
97.10133	6.3
105.06999	42.7
107.08547	79.1
109.10120	77.9
111.08041	9.2
114.93588	4.3
117.06929	6.0
119.08549	72.1
121.10114	73.7
123.11659	52.1
131.08546	27.7
133.10072	67.4
135.11658	48.4
137.13197	9.3
143.08511	9.0
145.10094	35.0
147.11620	36.2
149.13184	28.6
157.10121	14.4
159.11662	17.3
161.13225	25.8
163.14764	21.8
171.11572	14.4
173.13197	18.1
175.14775	23.2
177.16301	20.0
185.13116	5.0
187.14716	23.0
189.16353	25.0
191.17889	7.9
197.13197	6.8
199.14798	16.6
201.16406	37.7
203.17879	48.0
205.15820	8.7
213.16342	8.0
215.17818	22.7
218.33504	4.3
233.15167	4.7
236.14925	4.1
239.17830	8.7
241.19514	6.1
255.21078	5.0
259.16766	4.5
261.18463	4.8
299.85318	4.3
391.33505	8.7
409.34354	27.0
425.33948	22.2
437.34079	32.2
455.35257	31.7
473.27069	4.1
496.34772	25.1
500.95074	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	496.3385
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.86150	0.5
56.05006	0.8
57.03409	1.0
57.07052	4.5
58.06569	1.0
58.53514	0.5
60.08142	21.7
65.18013	0.6
65.43694	0.6
71.07344	8.7
71.08610	4.9
81.07052	0.7
85.10140	1.4
86.09676	70.0
90.24012	0.6
95.08571	1.2
98.98438	4.5
104.10706	100.0
116.83243	0.6
120.59661	0.7
124.99958	40.9
133.39246	0.6
170.99249	0.6
181.26718	0.6
184.07275	98.5
257.14755	0.7
258.11172	0.9
263.68567	0.8
303.41876	0.7
313.27197	1.3
314.80112	0.7
375.00858	0.6
440.96631	0.7
478.32715	6.9
496.33826	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	496.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.4
57.07054	10.5
67.05479	42.7
69.07043	40.0
69.99145	2.1
79.05474	19.4
81.07022	81.7
83.08574	12.9
89.06016	2.8
91.05449	19.8
92.08656	6.5
93.07011	56.5
95.04932	4.2
95.08572	100.0
95.28016	2.3
97.10136	5.4
104.10690	5.9
105.07000	55.3
107.07891	4.1
107.08571	90.9
109.10118	64.8
111.08046	38.1
117.06958	4.1
119.08546	83.1
121.10088	60.2
123.11649	19.7
131.08546	31.5
133.10078	56.8
135.11670	26.8
137.13197	10.5
139.11217	2.8
143.08548	16.7
145.10068	48.3
147.11630	34.6
149.13217	29.2
152.07983	2.5
153.09189	3.3
155.08487	5.5
157.10056	17.1
159.11656	25.2
161.13197	36.3
163.14758	50.9
169.10063	23.6
171.11665	15.4
173.13191	16.7
175.14772	24.8
177.16370	10.5
183.11650	15.3
184.07236	4.9
185.13217	2.8
187.14670	19.3
189.16301	44.2
191.17870	4.6
197.13219	11.1
199.14706	4.1
201.16339	52.0
203.17928	29.7
207.17389	5.5
211.14865	4.0
213.16235	17.6
215.17885	32.1
217.19447	3.6
221.18933	9.7
225.16336	9.9
227.17831	13.3
235.16812	3.0
237.16107	3.0
239.17842	25.2
241.19464	5.9
243.21057	9.5
247.16806	11.1
253.19449	13.5
255.21022	4.7
257.22415	3.0
261.18454	4.3
273.18555	2.9
275.92554	2.4
281.22537	3.0
285.18341	22.2
290.68863	2.9
299.19815	3.5
308.75729	2.9
391.33301	17.2
397.30841	5.3
409.34460	20.3
425.34280	5.7
437.33881	41.3
455.35165	9.1
462.67627	2.8
483.02664	2.6
496.34082	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	496.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81746	0.2
53.03928	1.8
55.01857	1.5
55.05497	0.3
57.03421	4.0
57.07057	2.0
59.04975	0.3
61.02908	6.7
61.94305	0.2
67.05482	3.4
69.03406	11.7
69.07040	3.1
71.04953	2.0
73.02876	2.7
79.05455	6.8
81.03391	4.3
81.07025	100.0
83.01319	0.4
85.02875	73.1
87.04440	2.6
91.03918	3.3
93.06982	0.6
95.08568	18.2
97.02853	16.5
99.04410	2.5
101.02354	0.4
103.03891	0.5
109.02853	6.4
109.10119	1.3
115.03872	0.5
127.03870	15.9
131.08531	0.3
137.13214	15.3
145.04909	22.1
163.05948	10.2
163.07341	0.3
169.13748	0.3
189.01797	0.3
209.08633	0.3
289.08487	0.3
298.70395	0.3
325.11240	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	496.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67089	0.3
53.00277	0.4
53.03922	2.1
54.75840	0.4
55.01853	2.8
55.05484	0.8
57.03412	6.6
57.07057	0.5
59.04973	0.5
61.02902	8.9
65.47552	0.3
67.05482	2.8
68.07475	0.3
69.03400	17.1
69.07024	1.9
71.01334	0.5
71.04964	4.9
73.02882	4.8
74.51508	0.4
79.05453	4.5
81.03373	6.7
81.07020	88.7
83.62453	0.4
85.02870	100.0
85.06451	0.4
86.03201	0.6
87.04449	2.8
91.03919	5.2
91.05461	0.7
93.06992	3.6
95.04948	0.7
95.08570	13.3
97.02850	21.9
97.06484	0.5
98.97521	0.5
99.04411	4.6
103.03885	0.9
105.06972	1.8
107.04858	0.5
107.08564	2.6
109.02837	8.2
109.10107	1.8
110.09035	0.4
113.05947	1.0
115.03893	2.0
119.08524	0.9
121.10082	2.0
123.04377	0.5
123.11665	1.7
127.03863	20.8
131.07001	0.7
131.08498	0.4
133.04915	0.6
133.10034	0.6
135.04393	0.5
137.05913	0.5
137.12177	0.7
137.13200	15.5
145.04907	32.3
147.11621	0.4
149.13219	1.6
151.11142	0.8
163.03827	1.6
163.05933	13.9
167.14255	4.8
170.05670	0.4
223.09978	0.4
225.07771	0.6
240.28500	0.4
243.08977	0.6
259.09702	0.5
271.07983	0.5
287.05270	0.4
289.09000	0.8
298.14343	0.4
299.12558	0.4
313.16046	0.5
325.11160	8.3
443.86206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43622	0.4
54.80988	0.6
55.01845	0.5
56.20391	0.4
57.03413	7.2
59.04965	0.7
62.61023	0.4
69.03403	14.8
73.02886	3.9
73.65449	0.5
75.04440	1.0
79.05479	0.5
81.03377	2.4
81.37234	0.5
83.04956	0.6
85.02441	0.7
85.02882	12.7
87.04441	8.6
91.05463	0.5
95.01287	0.6
97.02848	10.8
97.95670	0.5
108.33792	0.5
109.06461	1.7
110.03619	4.4
111.04402	2.2
115.03888	7.9
119.04852	0.6
121.06490	0.6
121.10141	0.5
123.04340	0.6
125.05947	30.1
127.03876	2.0
133.04959	5.2
135.04350	0.7
137.05907	1.1
139.03851	3.3
139.07523	1.8
145.04922	0.5
147.04327	1.1
149.05930	0.5
150.05438	0.8
151.07498	0.8
152.04640	0.5
153.05418	66.1
154.06206	21.4
155.03329	1.8
155.06931	1.0
163.03821	2.1
166.06186	1.9
167.06961	6.2
167.10612	0.7
169.04906	0.6
170.05693	12.1
178.06183	5.4
179.03348	0.9
181.08548	1.8
182.05684	5.2
183.06444	0.5
184.07278	0.6
185.08029	100.0
191.06931	0.6
192.07596	0.5
194.05696	8.9
195.06337	0.5
197.08040	6.2
209.08020	10.7
212.52615	0.5
219.06554	0.6
221.08014	1.0
223.09608	0.6
226.56963	0.5
227.09000	6.3
236.06902	0.6
251.09094	2.6
263.09140	3.7
281.10092	6.7
299.11197	2.5
311.11050	0.8
317.12411	0.8
431.43604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	12.5
57.07059	31.8
59.59071	2.6
67.05489	5.0
69.07041	23.3
71.08598	23.4
75.46993	2.7
75.86285	2.4
79.05422	2.6
79.79031	2.7
81.07018	17.6
83.08597	11.8
85.10158	3.9
86.04462	2.2
95.08558	15.5
97.10135	10.7
105.06952	3.7
107.08513	3.5
109.06477	10.5
109.10068	2.8
121.10043	3.2
123.08025	12.4
125.05929	14.0
127.07479	19.8
129.30818	2.8
135.08064	3.0
139.07498	100.0
139.08516	4.3
151.07507	3.4
161.51718	2.6
177.09012	6.0
347.32800	5.6
356.61850	2.9
371.16379	3.0
417.37097	4.4
445.36459	24.1
477.39136	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	495.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81224	1.4
55.05478	1.9
65.45042	1.3
67.05484	2.2
81.07040	1.8
90.00181	1.3
93.07024	2.8
95.08557	3.4
105.07028	2.1
107.08601	3.4
119.08556	2.6
133.10069	1.9
136.04874	1.9
145.10260	1.6
149.02296	1.5
153.45471	1.4
173.13182	2.0
184.07338	3.2
278.91675	1.7
402.26990	1.8
449.45721	1.7
495.34460	100.0
511.65488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84579	1.0
58.49857	0.9
67.05478	1.4
81.07028	1.6
84.23418	1.0
93.07016	4.2
95.08597	1.2
105.06981	1.0
107.08521	1.5
119.08598	1.2
121.10130	1.6
133.10098	1.6
145.10074	1.3
250.59119	1.2
275.41647	1.1
281.78488	1.2
495.30652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15406	0.6
60.78273	0.6
62.48252	0.7
66.17950	0.6
68.97946	0.7
77.77519	0.6
81.07039	1.0
95.08533	0.8
99.68085	0.6
121.10126	0.8
139.10464	0.8
183.36528	0.6
200.50240	0.7
201.16089	0.7
206.10478	0.8
279.37845	0.7
295.38480	0.7
427.65421	0.7
495.34348	100.0
496.34644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01842	2.7
55.05500	27.3
57.03429	15.9
59.61343	1.8
67.05486	45.9
67.25286	1.7
69.03396	3.3
69.07043	20.1
70.77200	1.7
71.04964	4.2
79.05464	34.5
81.03388	62.2
81.07027	100.0
83.04953	11.8
83.08589	27.6
85.02880	17.8
85.06509	9.8
86.81420	1.6
91.05448	40.8
92.09340	6.0
93.07012	32.7
95.04934	26.6
95.08569	28.2
97.02861	2.6
97.06483	11.7
97.10146	3.4
99.08051	3.2
100.17746	1.9
105.06996	51.2
106.70695	1.9
107.04890	4.4
107.08560	26.1
108.70052	1.9
109.06486	8.3
109.10121	3.6
111.08012	8.4
113.06007	2.2
115.05429	3.6
117.06956	2.7
119.08543	46.2
121.06492	2.5
121.10094	30.1
123.08002	4.7
123.11663	24.4
127.03812	2.0
129.06947	11.4
131.08510	11.2
133.06430	3.7
133.10077	15.9
135.11610	2.3
137.13223	2.2
145.10045	2.7
147.08025	3.1
147.11639	49.5
149.09499	3.5
157.10071	11.7
165.12654	15.5
175.11124	8.1
193.12149	17.8
211.13293	17.7
267.15817	61.3
285.09888	2.5
285.16916	13.1
477.28351	14.5
495.29776	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	495.2942
Annotation	Herkesterone
Peak:m/z	Relative Intensity
53.03928	8.4
55.01854	8.2
55.05273	2.2
55.05498	37.2
57.03424	29.0
59.16671	1.8
60.36619	1.8
64.32635	2.4
66.28521	1.9
67.05480	49.1
69.03411	7.9
69.07031	13.6
71.04963	11.9
79.05463	50.7
81.03387	100.0
81.07027	69.1
83.04954	37.9
83.08592	38.3
85.02879	53.3
85.06493	2.5
86.03844	1.8
91.05448	69.1
92.09241	4.1
93.07006	42.3
95.04932	45.5
95.08564	26.1
97.02835	7.0
97.06493	8.3
97.10113	3.4
97.21342	1.9
99.03177	2.1
99.08054	2.8
105.07007	58.2
107.04923	16.1
107.08566	23.3
109.06477	9.8
109.10130	10.8
111.04411	2.3
111.08050	11.4
113.05978	2.1
115.05432	3.7
116.06136	2.0
117.06995	3.2
119.08540	40.8
121.06499	2.4
121.10079	19.8
123.08023	4.6
129.06947	23.0
131.08511	22.2
133.06477	7.8
133.10101	19.4
142.07693	4.4
145.10094	4.8
147.08028	2.9
147.11636	24.0
149.09596	9.3
152.67929	1.8
157.10063	22.3
175.11058	14.1
193.12131	44.4
211.13234	47.5
267.15823	33.4
284.50082	2.3
285.16815	8.0
291.88245	1.9
347.39526	2.2
354.84872	2.2
355.38583	2.0
385.23254	2.7
459.27252	21.9
477.28378	25.3
495.29437	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	495.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59697	0.9
53.03924	4.6
55.01853	7.4
55.05493	35.2
57.03146	1.7
57.03415	23.4
59.04974	1.3
60.66284	1.0
60.85822	1.0
65.03915	1.8
67.05479	47.8
69.03397	7.0
69.07044	13.2
71.04961	10.3
72.91310	0.9
79.05460	49.2
81.03384	100.0
81.07021	53.1
83.04946	24.5
83.08585	32.1
85.02372	1.8
85.02877	50.5
85.06510	5.1
87.04467	1.1
89.98017	1.2
91.05441	67.6
93.07005	33.1
95.04929	43.0
95.08564	25.3
97.02853	5.9
97.03449	0.9
97.06505	6.0
97.10133	8.4
99.08056	1.6
105.06990	46.2
107.04919	19.3
107.08561	11.2
108.05253	4.2
108.08926	1.1
109.02862	1.5
109.06487	10.6
109.10137	6.9
111.08045	10.1
113.05965	5.0
114.48262	1.0
115.05419	1.6
117.06985	5.7
119.04885	1.0
119.08539	33.8
121.06448	2.4
121.10104	15.5
123.08032	6.0
123.11644	2.2
125.09613	2.1
128.06268	1.1
129.06949	19.2
131.08504	19.3
133.06473	5.7
133.10085	17.7
136.80673	1.0
137.09602	4.3
141.06993	1.2
142.07747	8.6
145.06450	1.2
145.10100	2.3
147.08046	5.0
147.11633	19.6
149.09558	7.9
157.10059	16.8
165.09126	1.2
165.12723	2.6
169.10033	1.0
171.08084	1.2
171.11694	1.2
175.11143	17.8
185.13326	1.0
193.12177	36.8
205.25906	1.2
211.13225	39.9
220.92632	1.0
229.11821	1.3
267.15802	18.8
285.16968	5.5
318.66534	1.2
326.38614	1.0
367.22598	1.1
407.83801	1.1
451.26382	1.7
459.27142	12.2
477.28110	11.5
495.29428	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01857	8.6
55.02083	0.9
55.05502	13.3
55.73192	0.9
57.03421	13.7
57.07049	5.8
61.02912	7.9
65.93503	1.0
67.05480	27.1
69.03404	65.6
69.07043	7.1
71.04961	12.9
73.02879	5.6
74.31843	1.0
79.05458	12.2
81.03394	18.2
81.07024	81.6
83.04945	23.5
83.08583	2.3
85.02875	26.1
85.06525	1.9
87.04443	7.0
91.05447	7.0
93.07008	23.9
94.07341	1.6
95.04967	7.6
95.08567	97.4
97.02849	14.2
97.06505	4.2
99.04408	15.3
103.03930	4.2
105.06970	13.2
106.07282	1.2
107.04938	1.8
107.08568	21.0
108.08868	1.6
109.02842	2.5
109.06467	8.8
109.10109	30.9
111.04406	15.6
111.08001	1.7
113.05979	7.3
117.05446	1.7
117.06962	1.3
119.08554	9.7
121.06445	1.9
121.10104	12.1
122.10445	1.9
123.08048	3.9
123.11659	100.0
127.03875	5.8
127.07534	1.8
127.91696	1.0
129.05423	22.0
131.08511	2.0
133.10068	8.6
134.10390	1.0
135.07999	1.2
135.11658	6.4
137.05942	5.5
137.13179	1.2
143.08575	1.2
145.04910	1.5
145.10094	4.3
147.06470	8.5
147.11652	6.2
149.09595	4.3
150.91257	1.1
151.07610	1.4
151.11128	30.0
159.11592	1.3
161.09653	2.2
163.11139	1.8
164.07030	1.9
165.07545	7.5
165.12694	1.7
169.12172	24.3
173.09538	1.4
175.11127	2.4
179.03319	1.1
183.08577	20.1
193.12201	2.2
205.36031	1.2
213.12627	1.2
215.09200	2.2
243.67436	1.4
247.13228	1.3
259.13254	2.2
273.21204	1.3
277.14236	6.0
295.15314	9.0
313.16321	4.7
336.63351	1.3
459.21716	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	495.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01857	8.6
55.02083	0.9
55.05502	13.3
55.73192	0.9
57.03421	13.7
57.07049	5.8
61.02912	7.9
65.93503	1.0
67.05480	27.1
69.03404	65.6
69.07043	7.1
71.04961	12.9
73.02879	5.6
74.31843	1.0
79.05458	12.2
81.03394	18.2
81.07024	81.6
83.04945	23.5
83.08583	2.3
85.02875	26.1
85.06525	1.9
87.04443	7.0
91.05447	7.0
93.07008	23.9
94.07341	1.6
95.04967	7.6
95.08567	97.4
97.02849	14.2
97.06505	4.2
99.04408	15.3
103.03930	4.2
105.06970	13.2
106.07282	1.2
107.04938	1.8
107.08568	21.0
108.08868	1.6
109.02842	2.5
109.06467	8.8
109.10109	30.9
111.04406	15.6
111.08001	1.7
113.05979	7.3
117.05446	1.7
117.06962	1.3
119.08554	9.7
121.06445	1.9
121.10104	12.1
122.10445	1.9
123.08048	3.9
123.11659	100.0
127.03875	5.8
127.07534	1.8
127.91696	1.0
129.05423	22.0
131.08511	2.0
133.10068	8.6
134.10390	1.0
135.07999	1.2
135.11658	6.4
137.05942	5.5
137.13179	1.2
143.08575	1.2
145.04910	1.5
145.10094	4.3
147.06470	8.5
147.11652	6.2
149.09595	4.3
150.91257	1.1
151.07610	1.4
151.11128	30.0
159.11592	1.3
161.09653	2.2
163.11139	1.8
164.07030	1.9
165.07545	7.5
165.12694	1.7
169.12172	24.3
173.09538	1.4
175.11127	2.4
179.03319	1.1
183.08577	20.1
193.12201	2.2
205.36031	1.2
213.12627	1.2
215.09200	2.2
243.67436	1.4
247.13228	1.3
259.13254	2.2
273.21204	1.3
277.14236	6.0
295.15314	9.0
313.16321	4.7
336.63351	1.3
459.21716	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	495.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10213	0.5
53.03952	0.6
55.05499	3.1
56.96534	0.5
57.03428	0.9
59.41336	0.5
65.30131	0.6
67.05479	3.0
69.03397	3.6
69.07050	1.3
70.03355	0.6
70.06566	1.2
71.04964	2.3
73.02917	0.9
79.05469	1.1
81.03396	1.3
81.07038	7.0
85.02863	5.8
87.00813	1.0
91.05443	0.8
93.07008	4.4
95.08568	7.5
97.02871	2.8
98.97529	1.3
102.51793	0.5
105.06996	1.3
107.08559	2.8
109.06446	0.6
109.10129	3.2
115.65219	0.6
116.98573	0.7
119.08527	1.0
120.93441	0.6
121.10118	1.2
123.11642	0.8
127.03902	1.5
135.11646	0.8
137.05949	0.7
147.04372	0.7
147.11690	0.8
159.11726	0.6
165.12686	0.9
179.03404	0.7
181.15968	0.8
187.07298	0.8
210.22102	5.0
211.16953	3.2
211.22459	1.1
228.23042	0.8
238.54283	0.7
246.24323	1.2
250.85368	0.8
295.23090	0.8
307.11780	0.7
312.73862	0.7
313.23618	1.1
326.63290	0.6
331.09961	2.9
349.12549	5.0
359.68262	0.6
380.55865	0.7
409.15134	1.1
415.20792	0.6
442.59796	0.7
494.29712	2.6
495.18213	100.0
506.10419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11436	0.4
51.00516	0.5
52.89225	0.5
55.01846	0.7
55.05494	7.5
56.10991	0.5
57.07043	2.9
57.37325	0.5
59.04976	0.8
59.21317	0.5
67.05151	0.9
67.05483	19.7
68.75603	0.6
69.03407	0.7
69.07040	16.9
71.04950	0.9
71.08612	0.7
79.05466	5.7
81.07025	25.1
83.04939	1.3
83.08589	12.1
85.06525	2.5
90.35813	0.5
91.05445	5.3
93.07005	18.0
95.04923	1.3
95.08569	34.2
97.06504	3.1
97.10127	3.0
99.08065	4.5
105.06991	13.5
106.01806	0.6
107.08558	34.5
108.97742	0.6
109.06448	2.2
109.10120	100.0
111.08114	0.8
111.11682	1.1
117.06963	0.8
119.08530	24.8
121.10100	29.2
123.08034	2.3
123.11652	13.3
125.09594	1.0
131.08554	5.1
133.10081	16.7
135.07990	0.9
135.11644	23.3
137.09589	1.1
137.13200	4.8
139.11159	0.7
142.07837	0.8
143.08543	2.3
145.10075	12.2
147.07986	0.7
147.11642	14.3
149.09689	1.8
149.13210	11.0
151.11147	4.2
153.12730	1.0
157.10037	4.3
159.11617	13.7
161.13197	15.2
163.11130	3.9
163.14764	9.8
165.12672	0.8
169.10025	1.1
171.11633	4.8
173.13191	8.3
175.14726	8.6
177.12762	1.1
177.16318	6.0
179.14281	2.3
181.15858	1.0
183.11554	0.7
185.13194	3.5
187.14771	8.7
189.16335	9.2
191.14201	0.7
191.17877	13.7
197.13171	2.5
199.14757	4.7
201.16310	9.5
203.14337	0.6
203.17906	6.1
205.15820	5.0
207.17395	2.8
211.14853	0.8
213.16353	2.5
215.14497	0.7
215.17920	5.3
217.15894	0.9
219.17404	3.3
225.16289	0.7
227.17827	0.7
228.18452	0.7
229.19363	1.4
231.20976	0.8
241.19460	1.3
243.17274	1.0
243.20891	1.5
253.19437	0.9
255.20941	0.8
257.22516	1.1
281.22504	0.7
297.25726	1.0
323.27213	3.2
339.30286	2.9
341.28265	18.5
357.31339	2.4
359.29163	1.4
377.30328	6.4
405.30505	0.7
405.35001	2.8
423.36752	8.2
441.37259	47.7
459.34296	2.9
477.35434	2.7
495.30588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.05492	11.9
57.07063	1.3
57.73516	0.5
67.05481	35.9
69.07039	13.2
71.04960	0.6
79.05451	8.4
81.03400	0.8
81.07023	29.3
83.08593	18.4
84.08125	1.0
85.02885	0.6
85.06505	3.3
91.05457	7.1
93.07008	20.0
95.08566	32.1
97.06509	0.9
97.10123	1.3
99.87648	0.6
105.06988	16.9
107.08555	34.7
109.10120	100.0
111.08067	1.5
111.11691	1.0
117.06978	2.8
119.08539	21.7
121.10095	25.8
123.08051	0.8
123.11674	10.1
129.06967	1.0
131.08514	7.5
133.10081	17.7
135.11639	27.8
137.09589	0.9
137.13231	4.1
143.08514	3.6
145.10072	14.8
147.11641	15.3
149.13208	11.6
150.78336	0.6
151.11226	2.4
151.14777	1.0
153.12750	0.6
157.10092	4.6
159.11626	11.0
161.13188	24.0
163.11124	1.1
163.14772	13.2
165.12703	0.9
169.10080	1.1
171.11626	3.9
173.13167	13.5
175.14764	14.1
177.16310	8.9
179.14273	5.8
183.11623	1.2
185.13213	3.4
186.13960	1.3
187.14743	16.3
189.16322	17.9
191.14258	2.6
191.17877	3.3
193.15851	0.8
197.13274	1.3
199.14757	7.0
201.16315	10.0
203.17908	4.1
205.15839	1.4
207.17380	12.1
211.14832	1.0
213.16367	3.0
214.17099	1.2
215.17944	8.4
217.15977	0.6
217.19374	2.5
219.17464	1.0
227.17902	4.7
229.19371	10.4
233.19003	0.8
239.17827	0.7
241.19423	4.3
243.20999	2.4
247.20589	3.6
253.19455	1.1
255.21001	2.8
257.22336	1.1
267.20938	1.3
269.22549	3.2
281.22614	1.2
285.25659	0.7
297.25668	11.5
311.27209	17.0
315.26721	8.8
323.27298	5.3
329.28220	28.4
341.28302	10.8
342.69141	0.7
347.29279	2.1
357.31503	0.7
359.29282	14.6
377.30276	11.7
394.32852	0.8
405.35071	4.1
411.35822	1.0
423.36084	24.7
441.37115	7.8
449.22266	0.7
494.28375	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.05496	10.7
55.32723	0.8
57.07047	1.5
62.96201	0.8
64.54317	1.0
67.05479	33.8
69.07046	14.4
79.05463	12.4
81.07025	34.6
83.08584	14.4
85.06534	1.5
91.05431	8.1
93.07001	22.9
94.00795	0.9
95.08567	40.4
97.06496	1.4
97.10125	2.1
105.06998	20.7
107.08564	41.1
109.06474	1.9
109.10120	100.0
111.11646	0.9
117.06973	4.5
119.08537	26.1
121.10099	30.5
123.07977	1.6
123.11660	9.5
129.06926	1.2
131.08521	12.5
133.10074	25.9
135.11642	30.9
137.13210	4.8
143.08513	6.6
145.10078	20.9
145.21577	1.1
147.11638	20.5
149.13199	13.0
150.63216	0.9
151.11104	4.0
157.10081	4.7
159.11627	22.3
161.13206	25.1
163.14745	14.6
168.29237	1.0
171.11702	5.1
173.13202	16.2
175.14766	20.1
177.16290	11.5
179.14223	5.5
185.13174	5.1
187.14767	20.7
189.16319	29.4
191.14207	2.0
191.17877	2.4
197.13142	1.1
199.14813	8.2
201.16331	14.7
203.17891	5.6
205.15732	3.4
207.17393	16.9
213.16306	6.1
215.17860	9.5
217.15877	1.9
219.17390	1.0
225.16290	1.2
227.17966	4.7
229.19450	5.1
239.17924	1.1
241.19449	3.5
243.21019	2.3
253.19356	1.5
261.18182	0.9
269.22552	1.2
283.23978	1.2
295.24228	1.9
297.25742	8.7
311.27231	13.6
315.26709	5.0
323.27060	6.6
329.24664	1.9
329.28259	20.5
341.28348	9.6
359.29303	8.6
377.30182	10.1
405.34814	5.9
407.32819	6.7
423.36072	13.2
441.37112	8.0
453.33447	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	494.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.1
55.05496	22.8
56.79005	1.9
57.00703	1.9
57.36605	2.1
64.02544	1.8
67.05502	15.1
68.64119	1.9
69.07037	16.3
79.05450	12.0
81.07033	25.3
83.04937	3.5
83.08595	23.2
86.63286	2.0
90.75288	1.9
91.05441	13.0
93.07007	28.0
95.04914	2.2
95.08577	45.1
96.30190	2.0
97.06491	3.8
99.08028	4.1
105.07005	38.0
107.08557	42.8
109.06443	3.8
109.10114	21.5
111.08038	3.5
117.06977	4.5
119.08546	57.0
121.06474	3.4
121.10104	32.4
123.07993	4.3
123.11671	5.0
125.09590	2.3
129.17908	2.9
131.08519	34.7
133.10089	28.7
135.07983	8.4
135.11667	18.2
137.09593	3.9
139.11168	3.3
143.08510	9.7
145.10095	31.1
147.08031	2.8
147.11632	25.1
149.09526	8.8
149.13210	10.6
157.10112	14.6
158.10851	2.3
159.11662	35.0
161.09552	3.8
161.13208	11.6
163.14745	12.4
169.10057	3.0
171.11566	7.6
173.13194	21.8
175.14775	16.3
177.16322	3.9
183.11595	8.0
185.13150	12.6
187.14772	34.5
189.16293	18.4
191.14151	3.1
197.13197	4.3
199.14758	9.2
201.16290	21.9
203.14279	7.2
205.15811	15.0
213.16328	3.9
215.17943	3.1
217.15829	2.7
219.17432	5.1
225.16328	2.4
227.17802	3.1
238.37311	2.6
255.21034	3.9
286.40286	2.1
295.54391	2.3
309.98624	2.1
314.48416	2.8
405.31097	4.3
411.32059	2.6
423.32590	16.5
441.33536	24.4
453.33496	2.6
459.34537	100.0
477.35757	4.7
494.29724	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	494.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54068	1.8
51.00039	1.6
51.00291	1.8
54.40925	1.8
55.01853	2.3
55.05498	24.6
57.07048	2.9
60.62508	2.0
64.30997	2.0
66.53941	2.1
67.05465	15.0
69.07052	18.7
76.59390	2.1
79.05456	14.8
79.58028	2.4
81.07021	33.7
83.08595	21.2
88.75237	2.0
91.05438	10.2
92.09357	4.3
93.07007	36.6
95.04903	3.1
95.08571	42.0
97.06503	4.5
99.07969	2.3
105.07001	35.7
107.08554	47.4
109.06483	4.7
109.10109	26.5
111.08042	9.8
114.17869	2.1
117.06936	4.1
119.08546	47.5
121.06455	2.1
121.10116	30.8
122.09820	2.1
123.08040	3.7
123.11610	3.0
131.08510	27.6
133.10104	34.2
135.11626	14.3
137.09570	4.3
138.46359	2.2
143.08505	9.8
145.10109	30.2
147.11613	17.3
149.09538	4.4
149.13203	11.2
151.11201	2.6
157.10098	16.6
158.10873	2.9
159.11679	31.0
161.09633	3.0
161.13185	14.2
163.14757	12.3
169.10062	4.5
171.11636	5.3
173.13196	23.0
175.14777	18.0
183.11633	2.9
185.13216	9.6
187.14763	36.9
189.16324	15.3
191.14250	4.4
199.14749	14.1
201.16362	19.4
203.14209	4.6
203.17935	3.5
205.15771	10.6
213.16348	5.1
219.17377	3.9
239.16206	3.5
255.20853	2.8
405.31351	4.4
407.32675	2.7
421.87494	2.5
423.32315	12.1
441.33661	28.8
453.33365	9.3
455.45462	2.6
459.28690	4.3
459.34567	100.0
460.34943	2.7
494.30075	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	494.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59072	1.1
53.03936	2.4
55.01861	5.3
55.05492	12.0
57.03415	5.6
57.07049	2.2
59.04966	2.5
61.02896	1.7
67.05488	12.6
69.03410	18.9
69.07047	33.8
70.33870	1.1
71.04965	15.1
71.43694	1.4
73.02880	2.6
79.05479	12.5
81.03394	12.0
81.07028	25.1
83.04932	1.8
83.08597	11.7
85.02881	33.7
85.06509	3.5
87.00796	16.8
91.05451	7.4
92.08743	2.6
93.07018	29.4
95.04949	5.7
95.08573	44.5
97.02869	12.6
97.06481	17.6
98.01237	1.5
99.04404	12.8
99.08038	2.9
105.01842	11.4
105.07010	13.0
107.08562	42.5
109.02848	8.9
109.06505	16.3
109.10128	50.5
111.08055	6.6
113.00055	1.7
115.03943	2.1
115.07545	6.7
119.08537	36.6
121.10111	22.5
123.08057	11.0
123.11665	19.6
125.09602	3.2
127.03875	18.4
127.11170	3.5
132.24706	1.4
133.10092	58.3
135.11642	63.1
137.09579	13.2
139.11214	1.9
145.02820	8.6
145.04938	5.5
147.11644	7.4
149.09583	1.4
149.13200	15.5
153.12675	5.7
155.10623	1.8
155.74123	1.5
159.02832	3.2
163.03856	1.9
163.11148	1.4
165.06966	1.6
165.12680	3.4
167.07047	1.8
175.14761	73.3
177.05423	9.4
177.16374	3.5
191.03497	1.6
193.15820	72.7
205.16023	1.8
209.15305	2.1
211.16862	100.0
212.17294	1.7
226.08429	1.4
259.06467	1.3
278.75766	1.4
310.47940	1.4
423.19568	2.2
470.23987	1.5
494.24405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01859	1.1
57.03421	18.0
57.92525	0.5
61.02902	5.5
68.95199	0.6
69.03405	16.3
71.01331	2.7
71.71136	0.7
73.02887	36.0
79.05471	1.1
79.77680	0.6
81.03377	2.7
81.07021	0.7
85.02875	27.0
87.04420	1.1
91.05453	1.5
95.04926	0.8
97.02282	1.2
97.02862	24.3
99.04417	1.5
103.05392	1.2
105.06990	19.6
107.08484	0.7
109.02840	2.7
109.06533	0.8
115.03889	12.0
117.03342	2.8
122.03633	0.8
127.03870	5.6
128.14317	1.6
130.27017	0.6
131.04890	2.8
132.05289	0.8
133.04863	3.4
133.06442	40.8
137.05933	100.0
145.02817	3.3
145.04929	4.1
150.07547	1.1
151.07509	6.2
161.05925	1.0
165.09045	24.8
177.05388	4.0
179.07060	0.8
183.10098	38.1
210.11877	0.7
249.11087	0.7
259.07928	1.1
295.10178	1.0
305.56244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59972	1.9
118.88526	2.3
140.91742	2.3
146.06279	2.4
150.01161	2.5
205.00179	2.8
425.16074	2.9
493.31204	3.8
493.38379	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	494.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01849	6.1
55.05499	13.5
56.96519	1.1
57.03407	7.5
57.07041	1.3
61.02920	1.0
67.05484	17.9
69.03397	7.4
69.07051	9.1
71.04958	2.4
73.02888	2.1
73.63248	1.1
79.05467	20.3
81.03387	21.7
81.07023	20.8
82.07314	1.2
83.01306	1.0
83.04965	8.1
83.08578	9.2
83.73483	1.4
84.05325	1.4
85.02871	21.0
85.06528	1.6
85.82249	1.3
87.00809	1.8
87.63338	1.2
91.05436	17.3
92.09405	1.4
93.07010	19.4
94.07380	1.3
95.04919	12.0
95.08569	18.6
97.02857	9.6
97.06496	2.8
97.10125	2.2
103.03929	1.3
105.01824	2.2
105.06979	11.3
107.04922	100.0
107.08575	11.6
109.02848	4.3
109.06506	4.8
109.10125	10.4
111.08046	2.4
115.03886	1.3
117.07021	1.7
119.08557	8.0
121.06458	2.7
121.10105	8.6
123.08036	1.5
123.11667	4.5
125.09550	1.8
127.03881	4.9
129.06982	5.0
131.08528	6.3
133.06444	1.2
133.10080	4.8
135.11655	6.3
143.08499	1.5
145.04967	1.6
145.06442	2.0
145.10091	6.6
147.11668	4.4
149.05940	1.9
157.09996	1.3
159.11670	1.3
163.11201	2.1
165.16322	2.5
175.11198	2.0
187.07582	1.6
189.03896	1.7
193.12209	5.4
211.13278	6.0
215.06883	2.4
261.22000	1.7
267.15784	1.4
279.23117	2.6
297.24243	2.1
493.27905	13.1
494.28186	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	493.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60677	1.0
53.48377	1.2
54.74560	1.1
55.05495	1.7
57.07028	1.2
61.08295	1.1
69.07049	1.7
69.15931	1.1
70.87986	1.3
79.05443	2.0
81.07040	2.0
92.08719	2.7
93.07010	2.2
95.08571	2.5
105.06998	1.6
105.13332	1.2
107.08563	2.0
109.59181	1.3
119.08585	1.8
121.10056	1.5
134.72905	1.3
147.11714	1.9
150.20195	1.4
253.53168	1.3
273.57214	1.5
291.66516	1.7
395.41837	1.9
460.39548	1.5
466.27023	1.4
493.32800	100.0
494.32840	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2787
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.98318	2.3
52.99297	2.3
55.01852	12.7
55.05495	33.1
55.12800	2.6
57.03416	5.5
59.04996	3.7
67.05480	41.8
69.03410	3.1
69.07043	22.3
71.04951	5.5
79.05462	39.5
81.03394	29.3
81.07026	100.0
83.04955	22.7
83.08597	20.8
85.02854	3.7
85.06507	4.2
85.66814	2.7
91.05452	45.1
92.63899	3.1
93.07013	46.6
95.04931	17.1
95.08559	27.9
97.02851	4.3
97.06511	10.3
99.08038	3.0
105.07000	54.1
107.04911	19.4
107.08548	39.6
109.06443	12.6
109.10126	11.6
111.08079	5.4
117.06958	6.0
119.08528	53.1
120.08833	2.9
121.06445	4.3
121.10106	35.0
123.08039	14.2
123.11687	21.9
131.08510	10.4
133.10080	15.4
135.11641	14.1
143.08542	4.6
145.10071	19.6
147.11650	56.2
157.10083	3.7
159.11751	3.6
163.11143	17.9
165.12706	17.8
173.09660	3.0
191.10550	4.3
200.47331	3.0
210.13641	3.0
265.14355	6.8
267.15738	36.6
285.16965	4.3
410.80856	3.0
457.32556	5.6
458.33292	3.1
475.27045	3.4
493.27814	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2785
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.32243	1.4
53.03931	2.9
55.01854	15.8
55.05246	2.7
55.05498	48.7
57.03418	20.1
59.04983	2.2
59.37398	1.4
67.05482	45.2
69.03393	4.3
69.07035	8.9
71.04967	12.3
71.70501	1.6
72.10622	1.5
74.52287	1.8
76.35402	1.8
77.08288	1.8
79.05460	52.4
81.03386	73.2
81.07024	53.0
83.01314	8.8
83.04955	23.9
83.08591	32.0
85.02872	34.6
85.06498	2.2
91.05447	42.6
93.07015	44.4
95.04946	34.5
95.08572	23.2
97.02859	2.6
97.06489	8.1
97.10130	3.2
102.71910	2.0
105.07003	37.8
107.04922	13.4
107.08571	24.9
109.06475	10.2
109.10121	11.2
110.63103	1.9
111.04417	3.5
111.08071	9.9
113.06001	2.6
115.05391	2.5
117.06979	10.1
119.08545	33.4
121.06479	8.6
121.10094	15.7
123.08038	11.9
125.09611	2.6
125.95528	2.1
129.06967	12.0
131.08525	16.4
133.06447	3.7
133.10092	10.1
135.11668	10.7
135.23947	1.9
137.05899	2.7
142.07770	2.7
145.06429	1.9
145.10060	17.2
147.07982	3.4
147.11639	13.9
149.09586	4.4
153.12708	2.0
157.10077	12.4
163.11113	21.4
165.12715	2.1
165.45412	1.7
171.11613	2.0
172.01736	1.9
175.11140	9.0
184.07899	1.7
191.10544	2.1
193.12157	28.4
203.10129	1.9
209.11700	3.1
211.13217	27.6
227.18019	2.1
263.09323	1.8
267.15836	3.5
283.15372	2.5
351.89301	1.8
383.22217	4.3
394.31683	2.7
401.23163	2.3
475.26529	13.1
485.90402	2.4
493.20679	3.4
493.27798	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.4
53.03926	5.5
55.01856	15.0
55.05238	2.4
55.05491	45.3
57.03418	21.5
57.07053	1.5
59.04972	3.1
65.03905	1.8
66.28117	1.0
66.48659	1.2
67.05481	43.0
69.03402	7.7
69.07050	15.8
71.01307	1.5
71.04964	11.3
73.02879	1.6
79.05462	52.6
81.03381	63.3
81.07021	59.1
83.01313	8.4
83.04942	27.2
83.08585	28.3
85.02872	35.5
85.06538	1.7
91.05439	49.9
93.07005	53.9
95.04928	30.7
95.08562	25.8
95.39379	1.2
97.02854	7.0
97.06495	8.4
97.10136	7.8
99.04395	1.7
99.08026	1.4
105.06993	34.2
107.04929	16.1
107.08556	28.0
109.06480	11.3
109.10094	9.6
111.04390	5.2
111.08054	7.0
113.06004	1.4
117.06977	10.3
119.08537	36.3
121.06483	2.4
121.10121	15.9
123.04401	1.3
123.08023	12.2
123.11642	2.2
125.09590	2.8
129.06952	13.6
130.07765	2.1
131.08533	15.9
133.06461	3.0
133.10091	12.2
135.08008	3.1
135.11620	9.4
135.76233	1.3
137.05965	1.7
137.09569	4.6
142.07718	2.7
143.08492	2.5
145.06442	2.0
145.10052	16.6
147.08015	5.4
147.11655	13.6
149.09593	7.4
153.12708	2.2
157.10052	11.3
159.11606	1.7
163.11111	17.3
165.12762	3.0
175.11107	11.2
193.12157	19.8
209.11702	2.7
211.13231	25.0
227.12683	1.3
267.15894	6.2
283.15460	2.9
285.09900	1.9
383.22330	3.0
401.22867	1.8
408.88065	1.3
453.33041	1.3
457.25714	2.0
475.26804	7.8
493.27786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51254	0.9
55.05241	1.5
55.05498	32.9
55.54382	0.7
57.07063	0.8
67.05476	7.5
69.07046	8.2
79.05453	4.9
81.07027	12.7
83.08591	100.0
85.06527	1.0
86.09665	0.9
91.05440	5.3
92.09348	2.1
93.07015	12.7
95.04928	1.9
95.08572	15.8
97.06496	1.4
99.08062	5.2
104.10703	3.3
105.07001	12.6
105.85971	0.8
107.08569	22.1
109.10124	19.6
111.08098	1.6
111.11736	1.1
113.06032	1.3
113.59280	0.9
117.07015	1.3
119.08540	19.0
121.10108	12.6
123.08044	1.6
123.11662	6.6
131.08514	5.1
133.10065	12.7
135.08040	3.7
135.11656	12.2
137.09622	2.0
137.13211	0.8
143.08560	1.9
145.10086	11.7
147.11647	11.2
149.09573	2.2
149.13257	4.0
151.11142	1.2
155.08601	1.1
157.10089	6.3
159.11649	9.4
161.13176	8.7
163.14812	3.6
169.10030	1.9
171.11655	3.3
173.13170	9.8
175.11110	1.1
175.14761	7.1
178.41472	0.9
179.14311	1.1
183.11699	1.5
184.07301	1.4
185.13213	3.6
187.14734	9.0
189.16365	6.4
191.17911	1.9
197.13231	1.6
199.14777	3.8
201.16344	5.8
203.17941	4.2
205.15854	1.7
207.17484	3.6
211.14804	1.0
213.16386	3.6
215.17914	1.6
225.16368	1.6
227.17885	1.2
229.19395	1.6
239.17735	1.4
243.17328	1.3
295.24176	2.1
312.60526	1.4
313.25168	2.0
321.25644	2.1
329.28348	1.9
331.26172	1.8
339.26718	7.6
343.49966	1.0
349.33313	0.9
357.27704	8.7
375.28809	6.9
403.33667	1.0
419.59006	1.0
421.34549	5.4
424.80148	0.9
439.31250	1.2
439.36276	1.5
457.32773	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	492.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.92365	0.6
55.05241	1.6
55.05494	30.6
57.07066	0.9
59.76091	0.7
61.65469	0.7
62.46983	0.8
67.05474	4.4
69.07040	4.6
71.04947	0.8
79.05457	2.1
81.07023	10.7
82.08469	0.8
83.08590	100.0
85.06529	1.1
91.05438	3.9
92.78595	0.8
92.79218	0.8
93.06994	8.5
95.08571	11.8
97.06504	1.3
99.08042	1.4
105.06990	10.3
107.08553	14.1
109.06447	1.1
109.10110	11.7
111.08074	1.2
117.06984	1.0
119.08533	15.4
121.10102	11.3
123.07999	2.0
123.11662	4.7
131.08508	4.9
133.10083	10.4
135.11658	8.3
137.09616	1.3
137.13214	1.3
143.08557	2.0
145.10059	8.3
147.11626	7.7
149.09529	1.7
149.13226	3.3
151.11108	2.0
157.10042	3.3
159.11607	7.9
161.13200	8.4
163.14763	4.3
171.11662	1.6
173.13170	5.7
175.14763	5.6
179.14249	0.9
183.11594	1.9
185.13266	4.6
187.14783	5.2
189.16301	7.0
189.56865	0.9
191.17920	1.7
195.11575	0.9
199.14815	4.0
201.16237	5.9
203.17899	3.5
207.17393	1.1
215.18001	1.3
225.16426	2.0
237.16420	0.8
241.19501	1.2
245.19054	0.9
295.23996	3.0
311.27109	1.4
313.25177	3.6
321.25751	3.7
329.28232	3.6
331.26147	1.6
339.26816	6.4
348.90945	1.0
357.27765	7.6
375.28790	11.0
391.51868	1.0
392.31403	1.7
409.30835	1.1
457.32886	6.7
474.40488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05492	2.1
57.07050	0.9
67.05470	2.4
69.07049	2.1
79.05464	3.1
81.07032	5.6
85.06506	1.3
91.05446	2.2
92.09415	1.6
92.62830	0.6
93.07010	5.2
95.08551	4.4
97.06497	0.9
99.08058	100.0
105.07021	5.0
107.08544	8.1
109.10123	4.7
117.06959	0.6
119.08543	7.6
121.10117	5.0
121.20036	0.6
123.11621	0.9
124.66475	0.6
127.07507	29.1
131.08508	3.3
133.10075	6.0
135.08005	0.7
135.11652	2.9
137.09514	0.7
137.13255	0.5
143.08502	1.2
145.08563	0.9
145.10042	4.6
145.82481	0.5
147.04204	0.6
147.07994	0.8
147.11652	2.4
149.09537	0.7
149.13121	0.7
157.10107	0.7
159.11633	4.3
161.09503	0.9
161.13200	1.0
163.14822	0.8
171.11604	2.1
173.13200	2.1
175.14690	0.9
177.16325	0.7
183.11606	0.9
185.13164	2.2
187.14783	3.4
189.16330	1.0
197.13284	0.8
199.14836	0.7
201.12656	2.0
201.16299	2.4
205.15826	2.3
211.14764	0.6
215.14294	0.8
215.17928	0.9
215.38586	0.6
223.17143	0.6
225.16460	0.6
228.41434	0.6
239.17668	0.7
295.24149	0.9
312.36115	0.5
313.25098	1.0
385.27039	0.7
421.30661	1.2
439.32007	1.3
451.31998	0.9
455.83813	0.6
457.32947	39.8
458.33475	0.8
475.34647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.6
54.81314	0.8
55.01853	1.6
55.05245	1.0
55.05497	20.9
57.03413	4.1
59.04967	1.1
61.02885	0.8
67.05469	3.2
68.99770	1.0
69.03405	12.0
69.07044	2.3
71.04963	5.3
73.02885	2.8
74.35188	0.6
79.05452	6.6
81.03380	9.8
81.07024	8.8
83.04948	17.7
83.08592	18.4
85.02875	17.8
85.06527	2.4
87.00797	7.7
91.05424	4.2
93.07011	10.5
95.04931	80.9
95.08575	5.1
97.02853	8.0
97.06487	4.0
97.10102	2.8
99.04417	21.1
100.17238	0.7
105.01830	4.6
105.06994	9.5
107.08562	19.3
109.02843	8.5
109.06490	6.1
109.10133	14.1
111.08035	3.9
119.08543	3.5
121.06409	0.8
121.10107	12.2
123.08022	1.5
123.11657	3.9
125.09598	5.3
127.03864	10.9
131.08542	3.9
133.10081	17.4
135.11629	0.9
137.05952	1.2
137.09546	0.8
138.09076	4.6
139.11150	2.9
145.04929	2.8
145.06361	0.6
145.10046	1.1
147.11624	2.9
149.02316	1.3
149.09537	0.8
149.13205	3.6
150.02586	1.0
151.11125	16.5
153.09055	25.8
159.02789	4.8
161.09544	4.5
161.13257	1.5
163.14774	1.4
166.08577	7.1
167.10686	0.7
167.14252	26.8
173.13174	4.3
177.05455	1.0
179.14218	9.5
189.09106	1.0
191.14261	6.5
193.15793	0.6
209.15300	100.0
227.16318	3.3
236.45941	0.6
281.13852	1.1
287.77820	0.7
385.32806	0.7
457.20276	1.0
492.14676	0.7
498.88531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	8.8
53.47478	1.1
55.01844	10.0
57.03426	10.5
57.07064	1.3
61.02896	7.2
67.05474	2.9
68.95523	1.5
69.03403	41.3
69.07029	7.4
71.04948	8.9
73.02888	3.4
79.05419	1.4
81.03387	24.3
81.07017	9.1
83.04936	3.7
83.08562	3.5
85.02368	2.7
85.02871	74.8
87.00789	39.2
87.04448	2.5
91.03897	1.6
91.05438	3.3
93.06988	9.0
95.04933	5.5
95.08560	10.1
97.02859	27.1
97.06472	6.5
99.04427	11.2
105.01830	27.6
105.03400	1.4
105.07006	10.7
107.08557	23.1
109.02839	30.5
109.06457	7.1
109.10126	17.9
111.08014	2.5
117.01831	2.5
119.08530	9.0
121.10097	100.0
123.08027	3.0
123.11658	9.3
125.09570	3.7
127.03873	41.7
129.01790	2.4
131.08524	6.4
133.10078	16.2
135.07993	6.8
135.11626	9.2
137.05827	2.0
137.09618	10.8
139.11115	7.8
145.04903	10.6
147.11629	12.8
149.09517	6.1
149.13234	14.2
151.11111	15.3
153.09036	2.9
153.12596	1.8
158.10832	2.5
159.02884	11.3
163.03824	1.8
163.14757	11.1
165.12660	2.2
169.12212	2.2
173.13219	19.3
191.14226	46.2
209.15311	30.4
213.03845	1.9
227.16345	93.2
231.04924	8.0
249.05969	3.4
321.49634	1.8
324.95477	1.4
375.72101	1.7
439.19302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01857	8.4
55.05497	24.4
57.03415	7.8
57.07058	2.8
59.04987	3.3
61.02887	2.8
67.05478	17.1
69.03415	23.0
69.07038	11.3
69.90932	1.8
71.04955	4.6
73.02893	3.8
79.05460	14.0
81.03392	17.3
81.07023	39.6
83.04957	27.1
83.08579	21.4
85.02877	43.5
85.06524	4.6
87.00793	18.6
87.04449	4.3
91.04975	1.7
91.05415	14.7
93.07003	32.9
95.04918	41.7
95.08546	18.8
97.02861	17.8
97.06481	12.8
97.10154	2.0
99.04420	13.7
103.03921	3.8
105.01839	14.1
105.07000	31.9
107.08558	41.6
109.02856	16.6
109.06484	47.8
109.10110	43.5
109.99052	2.2
111.04397	2.1
111.08032	15.3
119.08540	17.8
121.06422	2.4
121.10097	45.0
123.08032	8.6
123.11660	13.4
125.09580	8.2
127.03864	19.0
131.08560	17.4
133.10091	86.4
135.08015	15.0
135.11636	7.6
137.10913	1.7
137.13126	2.3
139.11176	2.8
143.08464	2.9
145.02821	8.5
145.04936	7.6
145.10074	14.6
147.11674	16.3
149.09604	8.1
149.13206	14.6
151.11104	18.1
153.09055	17.6
158.10887	7.8
159.02763	2.5
161.05872	2.5
163.11096	16.8
163.14774	3.8
165.12753	2.7
167.10527	1.9
167.14230	22.9
173.13197	35.9
175.14778	2.5
177.05406	10.3
191.14241	27.7
209.15298	100.0
227.16319	16.4
231.04979	2.3
328.20685	1.8
466.56427	2.1
492.15723	6.9
492.22519	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.1
57.03403	2.7
57.07059	0.5
61.93387	0.5
66.23209	0.6
67.05485	11.5
69.03388	0.7
69.07039	9.6
71.04960	1.0
73.89606	0.6
79.05460	6.6
81.07025	16.3
83.04967	0.9
83.08579	5.0
91.05457	11.1
92.05782	1.1
93.07004	8.6
94.07323	0.7
95.04924	2.9
95.08576	14.1
97.06501	6.8
97.10122	1.4
99.08054	2.9
105.07003	8.1
106.07347	0.8
107.08564	10.6
108.08896	0.9
109.06470	1.0
109.10113	7.1
117.06956	1.2
118.01171	0.7
119.04901	21.8
119.08555	9.1
120.08906	0.8
121.06493	0.7
121.10101	7.6
123.11658	2.9
125.05939	0.8
129.77695	0.7
129.78955	0.6
131.08511	4.3
133.10072	7.0
134.10463	1.0
135.07974	1.2
135.11618	4.7
143.08505	2.5
145.10072	3.8
146.10477	0.8
147.04367	100.0
147.11644	6.5
148.12015	1.0
149.13280	0.9
156.09312	1.0
157.10046	3.1
159.11633	3.8
161.09644	1.1
161.13167	2.9
163.07451	0.7
163.11203	0.8
165.05399	7.7
169.09993	0.8
171.11754	1.1
173.13179	1.6
175.14790	1.5
177.16331	1.2
178.16504	0.8
185.13237	0.9
187.14787	3.2
188.15076	1.2
189.12547	0.9
189.16313	1.3
195.11754	0.7
201.16351	3.1
202.16606	1.4
203.14148	0.9
204.18509	0.7
205.15759	2.7
206.16110	1.3
217.19472	1.0
243.46548	0.7
265.96112	0.7
309.24164	1.4
327.25223	9.0
408.33426	0.9
421.29916	0.8
438.30176	0.8
455.31076	2.7
456.31531	1.1
464.59531	0.7
473.32678	1.0
491.33939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10397	0.4
54.18106	0.4
55.01852	2.0
55.05500	6.0
55.90344	0.4
57.03394	0.5
57.07049	0.8
58.08415	0.4
64.42509	0.5
67.05484	5.2
69.03401	1.0
69.07037	8.0
71.04968	1.1
79.05453	5.3
81.03386	0.8
81.07027	11.6
83.01340	0.6
83.04945	1.9
83.08596	3.2
85.02872	3.7
91.05451	2.7
92.62845	0.5
93.07005	6.6
95.04925	2.1
95.08573	9.4
97.06500	1.1
97.10140	1.9
99.08067	1.0
102.87732	0.5
105.07001	4.9
107.04924	1.1
107.08566	6.5
109.06509	0.8
109.10122	5.1
111.04466	0.5
111.08063	1.0
111.11696	2.1
117.07026	1.0
119.08559	4.9
120.08931	0.6
121.06498	0.9
121.10071	3.7
123.08041	1.8
123.11681	4.0
127.03843	0.9
129.06947	0.6
131.08531	2.2
133.10101	2.8
135.07942	0.8
135.11630	2.2
137.13260	1.1
143.08502	0.7
145.04921	0.9
145.10091	4.8
147.08023	0.8
147.11668	2.2
149.05936	0.5
149.13190	1.1
151.14732	0.7
153.12721	0.7
157.10092	1.2
159.11649	0.9
160.12024	0.6
161.13232	0.8
163.11142	2.6
171.11632	0.9
173.13205	0.7
174.75200	0.5
175.14825	1.1
183.11656	0.7
185.13266	0.5
187.14816	0.5
189.12904	0.6
197.13219	0.6
207.21007	0.6
228.17944	0.5
236.83363	0.5
279.74860	0.6
329.22852	11.5
437.30399	0.7
455.31433	1.0
468.27435	0.6
473.32553	1.9
491.28079	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	9.8
54.60689	1.4
55.01602	2.0
55.01860	48.9
55.05244	3.4
55.05498	66.4
57.03424	16.2
57.07050	6.4
59.04974	9.8
65.03899	2.4
67.05154	2.5
67.05483	52.0
69.03404	3.0
69.07048	20.4
71.01304	2.4
71.04972	13.7
79.05466	78.4
80.95950	1.4
81.02948	1.8
81.03393	29.4
81.07029	69.0
83.01314	34.2
83.04955	58.9
83.08137	1.7
83.08595	35.4
85.02906	11.6
85.06562	1.8
91.05447	55.7
93.07012	91.3
95.04932	32.8
95.08585	32.3
97.02872	7.2
97.06488	19.9
97.10135	6.1
99.04399	8.6
99.08017	2.2
105.04479	2.3
105.07005	38.7
107.04929	28.7
107.07888	2.4
107.08569	44.7
109.06490	21.5
109.10127	11.8
111.04382	13.0
111.08033	6.6
115.05449	2.1
117.06982	29.3
119.08540	28.8
121.06480	13.1
121.10114	25.2
123.08035	20.2
125.05956	2.4
125.09569	2.4
128.06171	2.3
129.06970	9.4
130.07747	6.7
131.08522	12.6
133.10132	8.3
135.08025	7.8
135.11636	29.4
137.05888	1.5
137.09569	5.7
143.08525	3.6
145.06459	1.7
145.10080	43.8
147.08009	5.9
147.11693	2.2
149.05913	2.3
153.12703	20.0
155.08475	3.9
163.11121	59.9
173.09552	6.1
173.13338	2.0
181.12180	9.2
186.01712	1.6
187.14777	3.1
191.10602	8.6
205.12433	1.9
209.11636	12.8
227.12733	10.2
455.31290	2.3
491.26245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13610	1.1
53.03925	3.0
53.17570	1.1
55.01847	1.9
55.05489	7.7
56.96534	2.2
57.03410	7.9
67.05473	8.8
69.03397	18.5
69.07039	6.2
71.04957	7.4
73.02891	1.9
74.09683	7.1
75.04449	2.9
79.05454	20.3
81.03381	15.2
81.07019	15.9
83.04941	10.2
83.08580	1.9
84.64198	1.2
85.02864	13.4
85.06488	2.1
89.03855	1.4
89.44558	1.3
91.05443	25.8
93.07005	100.0
95.04926	12.2
95.08572	14.7
97.02842	6.2
97.06490	11.5
99.04411	6.4
103.05419	3.4
105.04493	2.5
105.06994	23.4
107.08558	12.1
109.02854	5.7
109.06453	2.1
109.10139	8.3
111.08045	6.4
115.05431	2.5
115.07487	1.4
116.98567	1.8
117.06959	6.5
119.04883	11.5
119.08532	66.0
120.05180	1.4
121.06482	14.2
121.10097	81.4
123.04386	5.8
123.08016	2.6
125.09587	2.9
127.03804	3.2
131.04881	3.3
131.08545	11.9
133.06442	1.5
133.10081	8.0
135.04352	5.8
135.08031	2.5
135.11642	1.9
135.31070	1.4
137.05925	2.7
137.09534	2.0
141.06784	1.5
143.08540	1.6
145.02765	2.1
145.10081	5.5
147.04356	42.8
147.11667	2.6
148.04712	17.4
148.05727	2.0
149.02299	2.0
149.05922	3.3
149.09535	13.5
157.10106	1.7
159.08034	1.9
159.11584	3.0
161.05968	2.3
162.02890	3.1
163.03856	22.9
163.07501	9.0
167.10640	11.5
169.04707	1.9
173.02280	3.2
173.05945	3.5
173.09618	2.0
175.03793	2.7
175.07553	2.9
177.05371	1.8
179.03319	11.4
183.11449	1.6
187.07527	2.8
191.06923	1.5
215.05167	1.7
215.06969	9.5
227.10609	1.8
259.09598	2.3
275.19949	5.6
283.13098	2.1
287.05350	2.4
293.21021	3.4
381.39569	1.9
385.49896	1.6
473.13449	2.7
473.18814	2.5
491.19070	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1539
Annotation	Scutellarein 6,7,4'-trimethyl ether 5-glucoside
Peak:m/z	Relative Intensity
53.03927	0.2
55.01856	0.2
55.05493	0.1
55.46154	0.1
55.51228	0.1
57.03415	0.4
61.02892	0.5
63.24353	0.1
63.40276	0.1
67.05476	0.2
69.03403	1.4
69.07025	0.5
70.55856	0.1
71.04932	0.1
73.02881	0.2
76.54478	0.1
81.03384	0.9
81.07021	0.6
83.08570	0.2
85.02872	3.3
87.04459	0.1
87.17216	0.1
87.18192	0.1
91.05441	0.2
93.07005	0.5
95.08567	0.9
97.02841	1.1
99.04395	0.1
105.07015	0.2
107.08568	0.5
108.05705	0.3
109.02808	0.2
109.10110	0.2
111.11656	0.1
119.04895	0.4
119.08546	0.1
120.01028	0.1
121.06458	2.9
121.10098	0.2
123.11617	0.1
124.01552	0.2
127.03859	0.2
132.05650	1.1
133.06468	0.1
134.07225	5.2
135.04353	0.7
137.13222	0.1
139.00237	0.4
145.04971	0.2
151.00107	0.4
152.00995	0.7
166.99620	0.2
170.02058	0.2
179.03339	0.2
181.01308	0.2
197.04422	0.2
198.01512	1.2
207.02893	0.2
228.80455	0.1
238.06099	0.1
240.07732	0.1
242.05650	0.4
253.04961	0.1
255.06598	0.1
256.07269	0.5
260.23648	0.1
265.04868	0.6
268.07184	2.2
269.08017	0.2
270.05045	1.1
271.05865	1.4
283.06012	0.4
284.06693	2.0
285.07477	22.2
286.08124	1.2
295.05908	0.6
296.06772	1.3
297.07474	5.8
298.04565	0.4
298.07675	0.2
299.05368	1.5
300.06155	2.9
301.06744	0.2
311.05432	0.3
313.06949	29.2
314.07724	20.6
315.08249	0.1
329.10077	100.0
330.10577	0.9
340.48938	0.1
441.62006	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	491.1538
Annotation	Cladrastin 7-O-glucoside
Peak:m/z	Relative Intensity
51.01799	0.1
53.03913	0.2
55.01834	0.2
57.03392	0.3
61.02875	0.3
69.03398	1.4
69.07018	0.1
76.55807	0.1
79.05405	0.2
81.03352	0.6
81.06997	0.2
85.02872	3.2
85.06506	0.2
93.06981	0.3
95.93954	0.1
97.02843	1.2
101.21191	0.1
105.06970	0.1
106.08299	0.1
107.08549	0.2
108.04769	0.1
109.02820	0.2
121.10089	0.2
127.03864	0.3
131.04837	0.2
163.03856	0.2
167.03389	0.3
168.04059	0.2
192.04077	0.3
201.16170	0.1
242.05542	0.5
256.07202	2.5
267.06470	0.2
268.07196	2.5
269.07962	0.3
270.05164	0.6
271.05722	0.5
277.96616	0.1
283.05954	0.2
284.06613	1.7
285.07465	13.5
286.08148	1.0
296.06799	0.2
297.07248	0.1
299.05447	1.7
300.06140	3.0
311.05298	0.6
313.06949	52.4
314.07703	8.8
323.29926	0.1
329.10074	100.0
330.10400	1.3
416.98389	0.2
422.90469	0.1
473.14587	0.1
491.20590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1539
Annotation	5-Methoxyafrormosin 7-O-glucoside
Peak:m/z	Relative Intensity
51.63168	0.3
53.03913	0.5
55.01854	0.4
55.05487	1.6
56.63033	0.3
57.03402	0.7
57.07044	0.6
61.02900	0.5
63.89249	0.3
67.05465	2.6
69.03396	2.2
69.07031	2.2
71.04949	0.5
73.02892	0.7
75.48748	0.3
79.05449	2.6
81.03375	1.6
81.07022	5.5
83.04949	0.7
83.08575	0.7
85.02866	3.1
85.06525	0.4
87.00769	0.3
91.05444	2.8
91.55946	0.3
93.06998	6.3
95.04923	0.7
95.08557	3.6
97.02843	1.8
97.06498	2.7
97.10126	0.4
99.08020	0.4
103.05460	0.3
105.03347	0.4
105.06988	5.4
106.07342	0.5
107.04903	0.4
107.08576	2.6
108.02050	5.4
109.06441	0.6
109.10115	3.1
111.08044	1.3
115.03893	0.4
117.07052	1.1
119.08524	4.1
121.10088	3.9
123.04394	0.4
123.08013	1.4
123.11648	1.4
125.09534	0.7
129.06931	0.4
131.08514	1.9
132.05640	5.7
133.06438	9.1
133.10100	2.4
135.04333	5.8
135.08029	0.5
135.11664	0.8
136.01509	2.0
137.13266	0.5
141.06944	0.4
143.08545	0.5
144.87459	0.3
145.02831	0.5
145.10077	2.0
147.04375	0.4
147.11652	1.6
148.49475	0.3
149.02325	1.7
149.09534	0.8
149.13219	0.7
151.07527	0.6
154.02554	5.5
157.06351	0.4
157.10077	1.5
159.07957	0.4
159.11659	1.6
161.06020	0.5
161.09515	0.5
161.13196	2.1
162.13585	0.4
163.03818	3.3
163.07596	0.4
163.11072	0.5
167.10474	0.4
169.06416	0.8
169.09996	0.4
170.02068	0.4
171.11644	0.4
173.09480	0.4
173.13153	1.4
174.06802	0.4
175.07434	3.1
175.14742	0.6
179.03352	0.5
183.11601	0.3
184.08727	1.2
184.19872	0.4
185.13116	0.4
187.07460	0.5
187.14845	0.3
189.09041	0.4
193.08583	0.8
197.05927	0.7
199.07562	0.4
211.07549	0.5
217.08392	0.4
223.11060	0.4
225.05417	0.4
225.28720	0.3
233.11435	0.5
240.07684	5.3
243.13649	0.6
259.09555	0.5
266.05508	0.4
268.07184	52.1
269.07492	0.4
271.05951	0.7
275.20309	0.4
284.06650	1.6
285.07462	3.0
296.06683	37.3
299.05386	1.4
313.06891	3.8
314.07715	15.1
329.10062	100.0
330.07141	0.7
345.09506	0.5
353.15799	0.7
371.16599	0.6
455.31448	0.4
460.73401	0.3
491.19229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01147	1.3
54.80910	1.8
55.05489	11.9
57.07047	1.9
58.02784	1.5
62.80583	1.5
65.79603	1.7
67.05477	15.3
69.06737	1.3
69.07050	22.4
70.44352	1.4
74.06133	1.3
79.05462	15.4
81.07027	33.9
83.08593	11.6
91.05450	21.2
93.07011	53.6
95.04973	2.0
95.08571	73.6
97.06492	2.0
97.10106	3.7
99.08063	22.6
104.09589	1.4
105.06998	48.7
107.08556	82.2
109.10117	41.8
111.08051	3.9
117.06958	7.6
119.08537	100.0
120.08865	2.5
121.10100	64.2
123.08069	1.6
123.11648	19.1
128.42204	1.4
131.08522	49.7
133.09070	3.0
133.10080	72.2
134.10364	1.7
135.10681	2.4
135.11652	44.6
137.13155	2.7
138.69682	1.9
143.08492	7.7
145.10080	56.5
147.11646	95.3
149.09627	2.2
149.13213	17.2
154.84749	1.5
157.10107	11.0
158.10872	1.7
159.11624	39.7
161.13188	34.0
163.14764	21.5
169.10063	2.1
171.11624	6.9
172.12408	1.8
173.13217	31.8
175.14775	17.3
177.16293	3.5
179.14165	3.1
185.13217	8.1
187.14749	52.1
188.15131	2.3
189.16315	26.9
191.14227	1.7
191.17873	84.3
197.13129	1.9
199.14738	3.7
201.16319	78.8
203.17880	33.1
207.17418	3.1
215.17963	11.3
217.19481	8.2
219.17368	17.1
227.17879	3.3
229.19420	9.0
231.21040	1.8
241.19315	2.6
247.16798	2.4
261.22150	1.8
269.22430	2.0
281.22549	2.6
287.23639	1.7
337.28558	2.0
354.88443	1.8
391.33194	6.6
409.34525	34.4
427.35480	20.3
437.33765	8.3
455.35184	91.4
518.36023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57741	0.2
51.70296	0.2
55.01849	1.3
55.05486	0.6
57.07056	0.4
57.50867	0.2
64.84753	0.3
67.05482	1.4
69.07042	1.3
79.05457	1.8
81.07021	3.2
83.04994	0.4
83.08579	0.5
85.06493	2.4
89.98799	0.3
90.00101	0.3
91.05472	1.3
92.62758	0.3
93.07009	2.7
95.08571	2.3
97.06477	1.8
99.08057	100.0
101.05997	0.3
105.06997	3.0
107.08549	4.7
109.06448	0.4
109.10119	1.8
111.08071	0.4
117.07011	0.4
119.04929	0.7
119.08538	4.0
121.10110	2.5
123.11662	0.5
127.07513	28.1
131.08516	1.8
133.06467	0.3
133.10056	3.3
135.08008	1.4
135.11667	1.5
137.09537	0.6
142.07808	0.4
143.08563	0.6
145.10075	2.1
147.04358	3.1
147.08000	1.2
147.11664	1.4
148.04710	1.3
149.09602	1.8
149.13292	0.5
151.11078	0.4
157.10089	1.2
159.11641	1.6
161.09596	1.9
161.13219	1.3
163.11160	1.2
166.78694	0.3
173.13173	1.7
175.11197	0.4
175.14786	0.6
183.11723	0.4
185.13226	0.6
187.11171	0.4
187.14755	0.6
191.14206	0.5
197.13202	0.3
199.14720	1.0
201.12691	0.3
201.16290	1.2
203.14265	1.1
205.15869	0.4
213.16400	0.4
293.22501	0.4
311.23712	1.4
329.24512	0.3
365.24695	0.6
383.25818	1.3
437.30322	1.8
455.31390	26.1
456.32043	0.3
473.32199	0.4
489.34885	0.5
490.35333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80910	0.9
55.05482	1.7
56.96548	12.8
57.03426	1.4
59.04978	10.4
61.02904	1.7
67.05475	6.5
69.03400	5.8
71.04953	1.2
73.02897	1.2
73.37944	1.0
75.80426	1.2
79.05457	2.1
81.03376	2.0
81.07018	4.1
83.04967	1.7
84.08128	1.0
84.62579	1.1
85.02863	9.3
85.06506	2.8
86.03197	1.1
87.03954	2.0
87.04439	35.2
89.05994	69.9
91.05449	2.2
93.07003	2.5
95.04949	1.3
95.08574	26.3
97.02833	2.5
98.97542	2.8
99.04405	1.2
99.08083	1.2
102.37639	1.0
103.03904	100.0
104.36467	1.0
105.01843	1.7
105.07004	2.7
107.07037	5.8
107.08555	6.6
109.02871	1.8
109.06477	1.4
109.10116	2.1
113.05997	4.2
116.98568	5.1
117.03319	1.6
119.08541	6.9
121.06435	1.7
121.08607	1.8
121.10102	1.7
123.04391	1.8
123.08031	9.3
123.11737	1.2
127.03890	4.8
128.98611	1.3
131.07001	6.4
133.04848	1.6
133.06461	8.6
133.08560	30.4
133.10077	2.4
134.99623	1.4
135.11642	4.3
137.02284	1.2
137.05884	1.9
145.02776	11.3
146.99580	2.0
147.06467	7.9
147.11659	2.5
149.09602	9.1
161.13171	1.8
163.03812	4.4
175.09575	2.2
177.05397	14.9
177.11200	10.7
179.07028	2.1
189.12689	1.9
191.09024	2.4
207.13756	16.9
229.07376	1.2
235.11630	2.2
237.02748	6.4
247.52748	1.2
285.13757	1.6
310.04361	1.3
400.17081	1.4
429.17670	5.2
430.18005	5.4
455.24377	2.0
473.25632	18.3
490.20984	1.7
490.28165	2.3
491.15048	8.1
491.21994	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	490.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80910	0.9
55.05482	1.7
56.96548	12.8
57.03426	1.4
59.04978	10.4
61.02904	1.7
67.05475	6.5
69.03400	5.8
71.04953	1.2
73.02897	1.2
73.37944	1.0
75.80426	1.2
79.05457	2.1
81.03376	2.0
81.07018	4.1
83.04967	1.7
84.08128	1.0
84.62579	1.1
85.02863	9.3
85.06506	2.8
86.03197	1.1
87.03954	2.0
87.04439	35.2
89.05994	69.9
91.05449	2.2
93.07003	2.5
95.04949	1.3
95.08574	26.3
97.02833	2.5
98.97542	2.8
99.04405	1.2
99.08083	1.2
102.37639	1.0
103.03904	100.0
104.36467	1.0
105.01843	1.7
105.07004	2.7
107.07037	5.8
107.08555	6.6
109.02871	1.8
109.06477	1.4
109.10116	2.1
113.05997	4.2
116.98568	5.1
117.03319	1.6
119.08541	6.9
121.06435	1.7
121.08607	1.8
121.10102	1.7
123.04391	1.8
123.08031	9.3
123.11737	1.2
127.03890	4.8
128.98611	1.3
131.07001	6.4
133.04848	1.6
133.06461	8.6
133.08560	30.4
133.10077	2.4
134.99623	1.4
135.11642	4.3
137.02284	1.2
137.05884	1.9
145.02776	11.3
146.99580	2.0
147.06467	7.9
147.11659	2.5
149.09602	9.1
161.13171	1.8
163.03812	4.4
175.09575	2.2
177.05397	14.9
177.11200	10.7
179.07028	2.1
189.12689	1.9
191.09024	2.4
207.13756	16.9
229.07376	1.2
235.11630	2.2
237.02748	6.4
247.52748	1.2
285.13757	1.6
310.04361	1.3
400.17081	1.4
429.17670	5.2
430.18005	5.4
455.24377	2.0
473.25632	18.3
490.20984	1.7
490.28165	2.3
491.15048	8.1
491.21994	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	490.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01858	0.6
55.05503	2.2
57.03419	15.0
58.86905	0.2
59.04977	1.0
60.04503	0.2
61.02900	1.7
61.56610	0.2
66.46252	0.3
69.03405	2.8
70.95015	0.2
71.01326	0.8
71.04967	87.5
73.02887	3.6
73.06503	0.2
75.04453	3.6
78.71968	0.2
81.03396	0.6
83.04958	6.5
85.02876	100.0
86.03203	0.3
87.04436	2.4
95.08556	0.3
97.02848	3.7
97.06492	2.1
98.06818	0.5
99.04408	1.5
101.05955	0.4
103.03919	0.5
105.06995	2.4
109.02838	1.0
111.04400	3.5
123.08040	0.3
124.05164	4.0
127.03854	2.3
129.05435	26.7
133.06482	1.9
137.05940	3.4
137.09586	0.3
144.06525	0.3
145.04892	1.5
145.10069	0.4
146.08122	0.3
147.06480	13.4
147.07661	0.5
149.02228	0.3
162.07593	0.3
163.05893	0.3
164.09109	2.8
165.09052	6.3
180.08621	0.4
189.09103	0.2
231.10052	0.4
255.08424	1.3
273.09357	0.4
293.54846	0.3
310.20972	0.3
325.93304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01851	3.7
57.03421	7.8
61.02901	9.9
62.63034	0.3
67.05492	0.4
69.03403	36.0
70.06547	0.8
71.01311	0.4
71.04960	3.8
73.02884	9.2
79.05468	0.5
81.03387	23.3
81.07030	0.8
83.01308	0.5
85.02876	100.0
87.04436	23.6
91.03923	5.9
93.07040	0.5
95.08580	2.6
97.02857	32.4
99.04420	7.2
100.52826	0.5
103.03910	0.7
105.07020	0.6
107.08585	0.5
108.04448	1.9
109.02845	16.9
115.03894	52.8
119.08563	0.4
121.10126	1.8
123.84957	0.5
127.03871	41.9
131.04907	0.4
131.08607	0.4
133.04919	13.8
133.10034	0.4
135.08150	0.4
137.05940	3.5
137.09544	0.6
145.04918	37.7
157.04842	0.7
161.05952	0.6
161.09567	0.4
163.03813	0.6
163.05959	4.9
167.10616	0.8
177.05533	0.8
177.16321	0.7
178.16595	0.5
179.06987	0.4
181.06937	0.5
203.07152	0.4
205.06955	0.5
241.06923	1.0
258.09821	0.5
259.07986	11.6
277.09088	11.3
287.09262	0.5
293.21173	0.6
305.10336	0.8
477.55560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80803	1.8
55.05491	8.2
57.07051	2.4
64.46144	1.7
67.05488	14.6
69.07049	15.2
79.05457	17.4
81.07035	31.2
83.08585	9.5
85.06516	2.1
89.17633	2.0
91.05445	25.7
93.07013	47.6
95.04912	3.3
95.08577	49.1
97.06483	2.9
99.08034	14.5
105.06997	55.8
107.08562	66.1
109.10111	22.1
111.08031	2.7
117.06983	11.7
119.08538	100.0
121.09253	2.6
121.10096	58.5
122.10410	2.4
123.08049	3.1
123.11671	12.6
131.08524	53.5
133.10091	60.6
135.08005	5.1
135.11655	33.5
143.08517	11.3
144.09254	1.9
145.10086	61.5
146.10439	1.9
147.11649	96.2
148.12035	2.4
149.09578	2.1
149.13237	13.4
157.10091	11.5
158.10770	2.8
159.11639	49.9
161.13194	19.7
163.11090	14.6
163.14777	13.0
169.09950	3.3
171.11641	10.9
172.12369	3.1
173.13194	24.7
175.11093	2.1
175.14735	29.1
177.12823	2.7
177.16318	32.9
183.11623	2.8
185.13211	10.5
187.14752	64.6
189.16325	33.7
199.14792	10.9
201.12617	2.8
201.16324	97.3
203.14125	3.0
203.17876	8.9
205.13908	2.4
205.15805	71.9
207.17384	13.6
211.14848	3.6
213.16333	11.4
215.17870	4.0
219.17387	13.0
223.16853	2.6
227.17879	8.0
247.16910	2.3
293.59662	2.0
310.37476	2.6
335.69183	2.2
340.53094	2.1
353.28647	2.7
392.01505	2.4
404.70319	2.9
407.32925	41.8
425.34174	30.5
443.34894	2.4
453.33475	27.5
471.35199	6.5
484.49072	2.2
489.35812	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	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80803	1.8
55.05491	8.2
57.07051	2.4
64.46144	1.7
67.05488	14.6
69.07049	15.2
79.05457	17.4
81.07035	31.2
83.08585	9.5
85.06516	2.1
89.17633	2.0
91.05445	25.7
93.07013	47.6
95.04912	3.3
95.08577	49.1
97.06483	2.9
99.08034	14.5
105.06997	55.8
107.08562	66.1
109.10111	22.1
111.08031	2.7
117.06983	11.7
119.08538	100.0
121.09253	2.6
121.10096	58.5
122.10410	2.4
123.08049	3.1
123.11671	12.6
131.08524	53.5
133.10091	60.6
135.08005	5.1
135.11655	33.5
143.08517	11.3
144.09254	1.9
145.10086	61.5
146.10439	1.9
147.11649	96.2
148.12035	2.4
149.09578	2.1
149.13237	13.4
157.10091	11.5
158.10770	2.8
159.11639	49.9
161.13194	19.7
163.11090	14.6
163.14777	13.0
169.09950	3.3
171.11641	10.9
172.12369	3.1
173.13194	24.7
175.11093	2.1
175.14735	29.1
177.12823	2.7
177.16318	32.9
183.11623	2.8
185.13211	10.5
187.14752	64.6
189.16325	33.7
199.14792	10.9
201.12617	2.8
201.16324	97.3
203.14125	3.0
203.17876	8.9
205.13908	2.4
205.15805	71.9
207.17384	13.6
211.14848	3.6
213.16333	11.4
215.17870	4.0
219.17387	13.0
223.16853	2.6
227.17879	8.0
247.16910	2.3
293.59662	2.0
310.37476	2.6
335.69183	2.2
340.53094	2.1
353.28647	2.7
392.01505	2.4
404.70319	2.9
407.32925	41.8
425.34174	30.5
443.34894	2.4
453.33475	27.5
471.35199	6.5
484.49072	2.2
489.35812	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	489.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.05490	12.8
57.07042	4.9
59.04949	0.9
62.23736	0.9
62.55389	0.8
67.05486	12.5
69.03411	1.0
69.07044	17.7
71.08601	1.4
79.05460	14.3
81.07021	27.1
83.04975	1.0
83.08579	10.0
85.06505	4.4
89.60063	0.9
91.05448	18.9
93.07007	40.4
95.04885	2.5
95.08565	42.1
97.06487	2.1
97.10116	1.8
99.08055	13.0
105.06285	2.1
105.06995	62.4
107.08556	66.5
109.06495	2.2
109.10118	25.8
111.08040	2.2
115.57424	0.8
117.06240	0.9
117.06919	7.0
119.08537	100.0
119.65067	1.0
121.06445	1.7
121.10098	47.0
123.07983	4.1
123.11639	10.1
129.06873	1.6
131.08517	54.3
133.10083	65.0
135.07993	2.2
135.10664	1.9
135.11633	30.4
137.09550	2.0
137.13188	2.1
143.08498	7.4
144.09267	1.7
145.10072	50.3
146.10640	1.2
147.11641	99.3
148.11998	1.4
149.09554	4.4
149.13196	12.8
150.18814	1.2
151.11122	1.4
155.08467	1.5
156.09276	1.6
157.10063	12.2
158.10814	4.5
159.11632	43.4
161.09567	1.0
161.13213	20.2
163.11096	15.1
163.14735	10.6
169.10040	1.6
170.10834	2.0
171.11549	8.6
172.12309	4.0
173.13197	23.0
174.13940	1.1
175.14751	24.9
177.12645	2.2
177.16318	24.7
179.14178	1.3
183.11609	2.0
185.13229	8.4
187.14749	57.4
188.15121	1.1
189.12683	1.8
189.16309	56.2
191.14244	2.1
191.17863	6.6
195.11577	1.3
195.13693	1.6
197.13211	1.7
199.14786	7.3
201.16313	91.8
203.14256	1.9
203.17929	7.0
205.15817	61.9
207.17374	12.4
211.14713	2.0
213.16359	9.0
215.14325	1.8
215.17772	7.5
217.12164	7.7
217.15840	1.5
219.17360	16.0
223.14796	1.0
223.16792	1.8
225.16312	1.5
227.17888	4.5
229.12013	1.1
229.19495	1.3
231.17239	1.9
233.18901	1.2
241.19450	1.8
245.18854	1.7
249.18411	1.2
309.28000	1.6
337.25073	1.4
353.28229	6.1
365.28107	1.4
389.31879	5.6
407.32913	42.4
425.33966	28.9
427.32196	1.2
435.32339	2.2
443.34793	4.6
453.33533	32.9
471.35031	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3562
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.72760	4.1
54.31522	4.6
55.05485	13.1
57.07065	5.1
67.05476	13.6
69.07038	25.8
70.05591	4.7
77.53941	5.6
79.05443	13.7
81.07012	56.1
83.08572	6.0
91.05436	26.1
93.07008	56.1
95.08562	48.3
97.06497	8.7
98.17326	5.9
99.08060	9.1
105.06981	54.2
107.08549	74.2
109.10113	39.8
119.08532	100.0
121.10089	61.0
123.08070	6.1
123.11668	12.4
131.08519	55.4
133.10100	47.5
135.11644	33.0
143.08589	9.3
145.10100	48.9
147.11626	77.6
149.13220	13.6
157.10132	10.1
159.11649	37.1
161.13173	22.0
163.14818	7.5
171.11703	8.7
173.13191	25.7
175.14731	30.0
183.11629	6.8
185.13197	9.4
187.14774	41.4
189.16383	10.7
197.13176	6.5
199.14706	9.7
201.16330	39.1
215.17923	6.4
218.16281	6.8
227.17906	7.1
247.82579	5.9
266.38257	6.4
391.87637	7.1
407.32916	12.7
425.33951	43.7
453.33475	8.5
471.34781	23.5
472.34390	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	489.3563
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05489	16.3
57.07058	4.4
64.32481	1.9
67.05173	1.6
67.05488	20.7
69.07037	22.1
76.43488	2.1
79.05443	17.7
81.07024	36.0
83.04958	2.7
83.08582	13.0
85.06492	3.9
91.05447	18.6
93.07004	49.4
93.27656	1.9
95.04899	2.6
95.08571	49.6
97.06490	8.4
97.10123	9.1
99.08056	19.4
105.06316	2.4
105.06998	53.0
107.08562	68.4
109.06499	3.7
109.10115	32.9
117.06992	3.3
119.08538	100.0
121.10090	48.1
123.08021	8.8
123.11656	21.0
131.08522	47.3
131.09502	3.2
133.10088	58.3
135.07999	4.9
135.11630	36.3
135.86342	2.0
137.09555	3.3
137.13220	7.4
143.08545	10.9
145.10086	44.0
147.11639	84.7
149.09543	4.2
149.13213	11.1
153.09055	7.5
155.08539	2.2
157.10071	13.5
159.11621	33.7
161.09622	3.2
161.13203	20.0
163.11092	9.3
163.14745	4.7
167.10707	4.2
171.11612	8.8
173.13188	23.2
175.14780	16.3
175.87938	2.3
177.12735	5.0
177.16396	3.2
181.12201	2.5
183.11656	4.4
185.13191	14.5
187.14743	54.3
189.16338	18.5
193.15717	2.6
195.13799	3.2
199.14731	12.4
201.16312	63.4
203.17842	3.9
207.17401	3.5
211.14783	3.6
213.16284	12.0
215.17867	11.3
219.17389	12.6
221.12897	2.1
223.16779	6.5
227.17813	3.7
233.18822	2.8
237.18352	4.1
241.19450	2.4
268.44675	2.1
269.22595	2.5
337.15237	2.4
353.28107	8.5
389.31735	3.4
407.32870	29.9
417.20984	2.4
425.34000	49.9
435.32437	2.7
443.34891	13.8
453.33734	17.5
471.34811	21.7
489.36591	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26945	2.0
53.03933	3.4
53.07763	2.4
55.05494	17.1
56.88712	2.0
57.07081	3.3
63.72414	2.2
67.05487	21.2
68.36874	2.3
69.07034	13.4
79.05449	24.4
81.07027	50.4
83.04956	58.9
83.08582	6.1
91.05425	26.1
93.07008	67.0
95.04951	12.8
95.08572	78.6
96.47285	2.5
97.10184	4.2
105.06989	60.7
107.08558	94.4
109.06488	4.6
109.10130	46.5
111.08078	3.7
113.75846	2.6
117.06989	5.5
119.08537	100.0
121.10098	45.2
123.08058	10.3
123.11655	12.6
123.99747	2.7
125.09590	16.2
129.07005	3.6
131.08522	36.4
133.10081	57.0
135.11661	33.8
137.09505	3.2
137.84013	2.8
143.08540	15.7
145.10080	49.2
147.11624	36.2
149.13210	15.4
157.10074	18.6
159.11630	47.5
161.13188	34.8
163.14764	17.5
169.10104	5.3
169.95062	2.8
171.11647	10.6
173.13217	29.5
175.14716	29.7
177.16272	20.6
185.13254	2.6
187.14729	39.9
189.16333	58.7
191.17892	9.8
191.85602	2.4
199.14815	21.3
201.16306	49.8
203.17976	18.9
205.15862	9.7
213.16322	43.9
215.17836	32.9
217.15819	13.1
219.17395	5.8
225.16310	3.1
227.17986	6.1
231.17491	3.6
235.16867	3.1
235.67555	2.7
241.19514	4.2
243.21011	3.1
251.33037	2.7
261.18277	3.5
267.20773	3.8
274.07843	2.8
316.24347	2.7
341.24545	3.4
389.31998	3.7
407.32980	22.4
409.34583	3.3
435.32458	14.6
443.34549	4.2
453.33420	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3561
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03905	3.5
55.05486	19.8
57.43555	2.8
60.76632	2.9
67.05469	18.3
69.07037	18.4
79.05453	18.9
80.57317	3.5
81.07022	49.3
83.04945	59.2
83.08576	4.7
84.86485	3.3
87.33891	3.6
91.05447	21.9
93.06995	47.0
95.04948	5.6
95.08570	75.8
105.06995	48.8
107.08557	100.0
109.06454	6.2
109.10131	40.7
111.08003	4.9
119.08532	84.1
121.10094	35.2
123.07968	4.8
123.11665	7.4
125.09589	16.6
127.06623	3.5
131.08556	26.6
133.10080	60.4
135.11693	24.1
143.08501	5.9
145.10060	56.8
147.11627	31.6
149.13214	20.2
157.10106	14.0
159.11630	56.2
161.13158	34.7
163.11179	3.6
163.14760	17.9
166.47209	3.7
171.11601	6.9
173.13164	27.6
175.14783	20.1
177.16260	7.2
185.13141	5.5
187.14755	32.2
189.16336	60.3
191.17894	6.0
199.14735	15.7
201.16310	61.7
203.17844	8.1
213.06996	3.7
213.16327	20.5
215.17784	24.7
217.15855	5.9
219.17387	14.2
227.17857	7.2
229.19466	5.2
247.16954	5.8
255.20987	5.1
261.18286	5.9
357.28064	5.2
389.31821	6.2
395.29016	5.8
407.32977	29.9
435.32346	16.2
453.33475	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92926	1.3
53.03944	1.5
54.99086	1.6
55.01846	1.9
55.05489	19.5
56.13485	1.6
56.96528	2.1
57.03415	1.6
57.07046	6.9
57.08939	1.5
57.15746	1.4
66.34628	1.4
67.05207	1.3
67.05488	18.5
69.03389	2.4
69.07034	26.9
79.05460	21.2
81.03361	1.9
81.07026	40.7
83.04954	2.1
83.08594	12.6
85.02868	3.9
85.06516	2.6
91.05434	32.0
92.08691	3.6
93.07009	60.0
94.07336	1.8
95.04901	3.6
95.08566	51.2
97.02901	1.8
97.06473	8.2
97.10123	2.5
99.08037	9.7
105.06994	65.3
107.08556	75.1
109.06413	3.4
109.10125	40.9
111.08031	3.0
116.98560	2.4
117.06960	13.4
119.08536	100.0
121.10107	56.4
123.07937	2.4
123.11678	16.8
125.05912	2.0
125.09587	3.1
129.06921	7.2
131.08516	46.4
133.10081	74.3
135.08000	4.1
135.11639	41.3
137.09550	3.8
137.13168	3.9
142.07652	3.1
143.08479	14.9
144.09227	4.0
145.10078	61.7
145.20937	1.6
147.07999	2.3
147.11635	83.4
149.05911	2.7
149.09549	3.7
149.13225	20.8
151.07463	2.5
151.11119	3.2
154.65205	2.0
155.08459	2.1
156.09364	2.1
157.10066	22.1
158.10774	2.8
159.11641	46.9
159.12924	2.4
161.09541	3.5
161.13220	21.9
163.03937	2.2
163.11121	13.4
163.14758	20.9
169.10034	4.1
170.10890	3.3
171.11557	16.8
172.12367	3.9
173.13194	25.3
175.11115	7.2
175.14729	23.6
177.12727	7.7
177.16321	17.7
183.11613	9.3
184.12413	1.8
185.13162	18.1
187.14758	56.8
189.16335	25.4
189.37549	1.8
191.14229	1.9
191.17827	3.1
195.11696	2.0
195.13690	3.0
197.13153	8.3
199.14731	10.4
201.16325	69.7
203.14226	2.5
203.17848	11.9
205.15817	53.3
205.17659	2.0
207.17328	9.4
210.13986	2.0
211.14635	3.2
213.16249	14.9
215.17914	7.2
219.17340	9.3
221.15125	2.0
223.16808	10.5
227.17883	2.7
231.17319	2.5
241.19484	2.1
245.18730	2.1
255.20869	6.8
257.22629	2.3
283.20404	2.4
301.21503	3.7
301.24728	1.9
327.18207	7.9
333.25647	1.9
340.76437	1.8
353.50906	1.8
389.31735	7.8
407.32935	40.0
425.33960	30.0
435.32202	9.4
443.34827	8.0
453.33466	39.3
471.34439	11.3
480.27789	2.1
489.23196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3561
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03918	1.9
55.05489	10.3
57.07058	2.1
60.02378	1.5
67.05479	12.5
69.07030	11.5
79.05476	14.9
81.07033	21.2
83.08595	6.5
87.76500	1.8
91.05436	22.5
93.06992	34.0
95.08565	36.5
96.75327	1.5
97.73081	1.7
99.08051	13.2
105.06994	51.5
107.08551	54.8
107.09212	2.6
107.35110	1.5
109.06460	1.8
109.10124	20.4
112.48693	1.7
117.06989	8.3
119.08536	86.8
121.10110	41.9
123.08047	3.3
123.11642	3.5
130.07768	1.6
131.08521	48.8
133.10088	54.6
135.07991	2.6
135.11649	29.6
142.07664	2.0
143.08560	1.9
145.10077	47.5
147.11650	92.3
149.09575	3.1
149.13226	11.0
151.11110	2.1
157.10078	12.4
158.10825	3.3
159.11633	40.0
161.13231	18.4
163.11139	12.0
163.14772	9.3
163.28450	1.7
171.11612	8.1
172.12364	3.1
173.13193	21.2
175.11156	1.6
175.14784	26.2
177.12650	4.0
177.16319	28.2
185.13153	3.4
187.14757	59.4
189.16319	48.3
190.13483	1.7
191.17886	7.3
197.13136	2.1
199.14795	6.8
201.16324	100.0
203.17923	8.3
205.15802	72.8
207.17426	16.3
213.16325	6.5
215.17844	3.7
219.17361	11.6
227.17838	3.9
236.12022	2.0
347.71707	1.7
407.32922	42.8
425.33945	30.3
443.35046	3.7
453.33472	33.4
471.34598	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	489.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05492	23.6
57.07056	13.1
59.04969	3.0
60.04540	1.4
65.81898	1.4
66.10366	1.4
67.05480	30.3
69.03403	2.1
69.07045	58.4
71.04968	18.2
71.08598	1.7
79.05440	11.6
81.07026	73.6
83.08588	36.2
85.02881	6.7
85.06525	3.8
85.33057	1.4
89.06010	9.8
91.05438	10.4
93.07001	40.1
95.04932	2.1
95.08571	100.0
97.06519	3.3
97.10146	10.6
99.08063	2.4
105.07010	14.4
107.08560	39.4
109.10123	35.5
111.08040	33.8
111.11687	8.1
117.61421	1.5
119.08518	12.0
121.10098	22.9
123.11650	30.8
125.09554	1.9
131.08510	2.2
133.10101	9.3
135.11639	12.0
137.13213	10.0
145.10077	3.1
147.11650	12.6
149.13213	20.5
151.14699	1.6
161.13202	7.5
163.14734	8.7
167.14273	2.0
177.16373	6.5
189.16222	3.0
191.17912	2.5
201.16319	1.9
205.15779	2.0
209.18785	2.0
217.19521	2.9
223.80045	1.7
237.51758	1.8
242.72620	1.9
261.25729	6.5
273.25610	11.6
279.26785	11.4
291.26706	35.6
309.27777	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	489.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.9
55.05243	1.9
55.05492	28.6
57.03420	3.2
57.07057	11.9
59.04964	6.5
60.00639	1.4
64.67165	1.3
67.05480	28.2
69.03394	8.3
69.06677	2.4
69.07040	53.7
71.04962	9.8
71.08606	2.2
79.05470	15.7
81.03390	2.9
81.07021	80.7
83.04932	1.9
83.08588	31.6
85.02873	13.8
85.06503	8.0
89.06004	7.1
91.05444	12.9
93.07006	52.7
95.04951	6.2
95.08572	100.0
97.06498	11.7
97.10117	7.7
99.04482	1.7
99.08058	8.3
99.88882	1.5
105.03356	3.5
105.07000	32.0
107.08561	50.0
107.09292	2.2
109.06455	6.8
109.10118	44.4
111.08035	27.2
111.11684	7.0
117.06989	2.4
119.08540	33.2
121.06458	3.1
121.10094	33.9
123.08015	3.8
123.11674	26.4
125.09566	7.1
131.04942	2.6
131.08539	12.4
133.06425	1.7
133.10063	19.7
135.08022	2.3
135.11659	21.2
137.13216	8.7
139.11151	3.2
145.10088	18.4
147.11600	19.2
149.02287	17.3
149.09593	2.5
149.13222	23.3
150.02635	3.0
151.11107	2.3
157.10101	8.3
159.11618	13.7
161.09526	3.3
161.13196	9.8
163.14784	13.5
171.11589	5.5
173.13217	9.3
175.11171	1.8
175.14767	7.6
177.16341	8.4
179.06877	2.5
183.11757	2.4
184.15730	1.6
185.13237	6.9
187.14738	9.2
189.16415	2.0
199.14827	2.7
201.16357	11.0
203.14224	2.2
203.17923	3.6
205.15834	7.7
205.19395	2.4
217.12282	1.8
217.19461	2.5
261.25714	2.9
273.25687	7.8
279.26779	7.5
291.26675	31.0
309.27762	21.5
359.52887	1.7
393.64673	2.0
407.32867	3.8
425.34024	1.8
435.32529	2.0
453.33826	2.3
489.23471	2.3
489.31943	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80741	0.8
55.05490	4.3
57.07045	0.9
67.05479	4.6
69.07059	6.9
79.05457	7.7
81.07029	17.2
83.04945	0.8
83.08593	3.5
85.06470	2.3
91.05437	7.3
93.07008	28.8
95.04910	1.4
95.08020	1.2
95.08578	21.7
97.06483	0.9
99.08059	9.3
105.07008	19.8
107.08559	39.3
109.10120	12.3
111.08054	1.0
111.71957	0.8
117.06945	3.0
119.08541	32.6
120.08837	0.9
121.10110	17.7
123.11642	3.2
129.06876	1.4
131.08521	16.5
133.10088	22.5
135.11639	14.1
137.13240	3.1
141.06889	1.0
143.08553	9.1
145.10069	17.6
146.10512	1.2
147.11650	32.6
148.11937	0.9
149.09583	0.8
149.13223	4.3
155.08549	3.0
156.09273	1.1
157.10077	19.3
157.11247	1.4
159.11633	20.4
161.13220	12.3
163.14786	4.9
165.08987	0.8
169.10075	5.4
171.11604	13.9
173.13214	23.6
175.11185	1.1
175.14726	7.9
177.16318	0.9
179.14282	3.3
183.11583	12.1
185.13181	11.2
187.14758	17.0
189.16360	9.2
195.11647	1.2
197.13232	9.0
199.14755	20.6
201.16299	10.9
203.17896	1.1
209.13177	1.5
211.14793	4.1
212.15343	0.8
213.16318	11.2
214.93654	0.9
215.17868	6.8
217.15851	1.4
217.19472	0.9
223.14742	1.5
225.16327	3.8
227.17931	4.9
229.19566	3.4
231.17349	1.4
237.16318	1.0
239.17918	1.6
241.19458	3.4
245.18953	1.6
251.18018	1.5
253.19482	6.6
255.21098	1.6
259.20245	1.0
265.19485	1.1
267.20969	5.2
269.19144	1.1
271.20462	6.9
283.20187	0.8
285.22040	14.8
293.22513	1.1
311.23621	0.9
319.23981	1.4
335.27258	6.9
353.28253	12.6
379.16415	0.9
389.31998	3.3
407.32941	18.7
424.32788	0.9
425.33990	100.0
435.32050	1.2
448.76770	1.0
453.33496	12.4
471.34274	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	488.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99323	0.8
55.05489	6.3
57.07043	1.3
67.03285	0.9
67.05176	0.9
67.05494	9.1
69.07034	7.9
70.36504	0.7
71.04972	2.0
72.42373	0.7
79.05459	8.4
79.19132	0.7
81.07021	21.7
83.08575	5.0
85.06516	1.0
91.05436	6.9
92.09347	2.5
93.07007	23.1
95.04926	13.1
95.08569	30.5
97.06495	1.8
99.08022	1.2
99.42307	0.9
105.07012	15.1
107.08562	26.5
108.08919	0.9
109.06511	2.1
109.10120	20.3
111.11665	0.9
112.67883	1.0
117.06995	4.2
119.08536	22.8
121.06467	1.1
121.10099	25.2
123.04385	64.4
123.08041	4.8
123.11652	13.2
131.08551	10.3
133.10085	19.0
133.11053	1.3
135.08015	3.4
135.11662	22.5
137.05952	9.1
137.09537	1.4
137.13203	4.0
141.05482	0.9
143.08540	4.0
144.09229	1.0
145.10075	17.5
147.11665	12.0
149.09613	1.1
149.13223	7.5
151.07504	6.0
157.10092	6.0
159.11633	18.7
161.09575	1.6
161.13181	9.3
163.07510	1.3
163.11041	1.0
163.14743	7.8
164.07652	0.9
165.09074	4.6
171.11653	4.2
173.13210	10.0
175.07516	1.4
175.14760	9.0
176.15170	1.0
177.09050	3.3
177.12605	1.8
177.16318	2.1
179.10648	1.4
183.11700	1.3
185.13243	4.4
187.14780	10.8
189.12718	2.0
189.16322	8.3
190.16617	1.0
191.17886	15.0
199.14792	4.8
201.16342	4.9
203.14247	2.1
203.17828	8.5
205.12216	1.2
205.15805	2.0
211.14836	1.2
213.16364	1.2
215.17915	3.6
217.15829	4.2
217.19540	1.3
227.17998	1.4
229.19414	1.9
231.13898	1.5
233.15157	1.0
245.15277	5.7
249.18665	1.1
257.22641	1.4
407.32993	1.3
409.34454	1.5
410.04376	0.9
424.32831	1.6
425.34225	1.3
435.32419	5.7
453.33640	6.4
470.33423	1.2
471.34552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99323	0.8
55.05489	6.3
57.07043	1.3
67.03285	0.9
67.05176	0.9
67.05494	9.1
69.07034	7.9
70.36504	0.7
71.04972	2.0
72.42373	0.7
79.05459	8.4
79.19132	0.7
81.07021	21.7
83.08575	5.0
85.06516	1.0
91.05436	6.9
92.09347	2.5
93.07007	23.1
95.04926	13.1
95.08569	30.5
97.06495	1.8
99.08022	1.2
99.42307	0.9
105.07012	15.1
107.08562	26.5
108.08919	0.9
109.06511	2.1
109.10120	20.3
111.11665	0.9
112.67883	1.0
117.06995	4.2
119.08536	22.8
121.06467	1.1
121.10099	25.2
123.04385	64.4
123.08041	4.8
123.11652	13.2
131.08551	10.3
133.10085	19.0
133.11053	1.3
135.08015	3.4
135.11662	22.5
137.05952	9.1
137.09537	1.4
137.13203	4.0
141.05482	0.9
143.08540	4.0
144.09229	1.0
145.10075	17.5
147.11665	12.0
149.09613	1.1
149.13223	7.5
151.07504	6.0
157.10092	6.0
159.11633	18.7
161.09575	1.6
161.13181	9.3
163.07510	1.3
163.11041	1.0
163.14743	7.8
164.07652	0.9
165.09074	4.6
171.11653	4.2
173.13210	10.0
175.07516	1.4
175.14760	9.0
176.15170	1.0
177.09050	3.3
177.12605	1.8
177.16318	2.1
179.10648	1.4
183.11700	1.3
185.13243	4.4
187.14780	10.8
189.12718	2.0
189.16322	8.3
190.16617	1.0
191.17886	15.0
199.14792	4.8
201.16342	4.9
203.14247	2.1
203.17828	8.5
205.12216	1.2
205.15805	2.0
211.14836	1.2
213.16364	1.2
215.17915	3.6
217.15829	4.2
217.19540	1.3
227.17998	1.4
229.19414	1.9
231.13898	1.5
233.15157	1.0
245.15277	5.7
249.18665	1.1
257.22641	1.4
407.32993	1.3
409.34454	1.5
410.04376	0.9
424.32831	1.6
425.34225	1.3
435.32419	5.7
453.33640	6.4
470.33423	1.2
471.34552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	13.2
57.07053	6.8
57.19645	4.7
61.17763	5.6
67.05477	27.4
69.07037	31.5
76.23329	5.2
79.05457	25.2
81.07036	82.7
83.04943	6.8
91.05447	27.6
92.14051	5.4
93.07002	63.3
95.04961	7.6
95.08563	87.1
96.46215	5.6
97.10129	6.7
105.06996	56.2
107.08565	97.2
109.06464	8.4
109.10127	47.0
119.08567	94.7
121.10101	73.0
123.04399	10.5
123.11651	25.8
125.09626	50.6
129.06898	5.9
131.08556	15.0
133.10101	92.7
135.07986	6.4
135.11668	78.1
137.05963	24.7
145.10109	58.4
147.11624	55.1
149.13245	39.8
157.10144	9.4
159.11662	31.1
161.13214	25.3
163.14793	43.8
171.11694	9.9
172.56824	6.5
173.13181	41.0
175.14769	25.8
183.11690	9.0
187.14784	64.1
189.16333	81.2
191.17911	32.7
195.11513	6.9
201.16344	40.3
203.17877	39.4
215.17918	42.5
227.17827	6.7
247.16916	14.4
261.18466	31.7
281.22562	8.4
307.87024	6.1
327.22977	71.7
377.31934	8.7
392.92291	8.6
407.32758	12.3
423.32449	100.0
441.33636	48.2
442.33908	7.0
443.35214	9.6
471.34100	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	488.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.81203	0.4
55.01843	2.2
55.05487	2.5
57.03417	3.7
58.79460	0.3
59.04959	0.4
61.02886	0.7
67.05469	3.9
69.03399	4.3
69.07045	3.9
71.04967	5.7
77.03902	0.5
79.05453	4.6
81.03409	1.2
81.07019	7.4
82.31618	0.4
83.04942	4.3
83.08575	2.1
85.02871	18.4
85.06518	1.8
91.05437	3.3
92.08714	0.7
93.07002	8.1
95.04922	2.7
95.08566	7.7
97.02840	2.3
97.06490	100.0
97.10107	0.4
99.04412	0.7
105.06988	9.0
107.04897	1.5
107.08549	10.0
109.02877	0.5
109.06494	6.3
109.10101	4.4
110.25159	0.4
111.04396	0.4
111.08038	5.5
117.06957	0.8
119.08536	10.9
121.06449	5.6
121.10084	4.0
123.08011	3.9
123.11707	0.7
125.05939	0.5
125.09581	0.9
127.03899	0.5
127.07518	3.4
129.06985	0.6
129.09061	10.1
131.08528	4.6
133.10083	7.9
135.04399	0.6
135.07986	3.1
135.11646	2.1
137.09560	7.4
139.07523	1.4
142.07718	1.5
143.08525	3.6
144.09239	0.7
145.02803	0.7
145.04967	0.6
145.06445	0.6
145.10095	5.4
147.08017	1.5
147.11646	3.5
149.09531	3.3
149.13234	0.6
153.08949	0.4
155.08543	1.3
155.10616	0.6
156.09306	0.7
157.10086	4.8
158.10867	0.5
159.08072	0.6
159.11633	6.5
161.09564	3.9
161.13181	0.7
163.03819	3.9
163.11122	0.7
164.04185	1.5
165.04338	0.4
165.09052	0.7
169.10048	1.6
169.90782	0.4
171.11638	2.4
173.09552	1.5
173.13170	4.1
175.11169	1.8
175.14748	0.6
177.09038	0.4
177.12704	1.8
179.10728	0.6
182.10818	0.6
183.11671	0.6
185.13217	0.7
187.14790	0.9
189.12662	0.8
191.14186	1.4
195.13776	2.1
197.13144	2.8
199.14816	1.5
201.12587	0.5
205.15657	0.4
213.14725	6.9
213.16391	0.7
215.14272	2.5
231.17451	0.6
233.15385	0.8
237.16138	0.4
243.17470	0.5
249.18430	0.4
251.16386	1.8
255.17456	0.9
259.09653	1.9
260.09970	1.4
261.10156	1.5
273.18335	4.7
291.19415	11.7
309.20468	22.8
416.73874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15968	0.5
52.96661	0.4
53.03940	0.5
54.25495	0.4
55.01854	2.6
55.05496	4.1
57.03408	6.5
59.04963	0.5
61.02912	1.1
67.05480	4.6
67.05772	0.4
69.03409	5.8
69.07038	4.8
71.04963	7.0
73.02885	0.9
79.05454	6.3
81.03374	2.6
81.07021	8.2
83.04945	6.3
83.08581	2.7
85.02870	22.2
85.03379	0.9
85.06514	3.1
85.95261	0.5
91.05451	4.9
92.08772	0.8
93.07013	10.2
95.04935	3.4
95.08569	9.6
97.02869	3.6
97.06491	100.0
99.04424	1.2
105.06995	11.4
107.04920	2.4
107.08556	14.4
109.02809	0.6
109.06473	8.5
109.10144	6.0
111.08054	7.5
113.05984	0.7
113.09612	0.9
114.52412	0.5
115.03867	0.6
117.03371	0.7
117.06955	2.0
119.08537	14.3
121.02834	0.9
121.06482	7.1
121.10106	4.6
122.03262	0.6
123.08014	6.0
127.03895	2.2
127.07507	5.1
129.05472	0.5
129.06947	0.7
129.09076	11.2
131.04881	1.0
131.08557	5.6
133.06445	0.6
133.10078	7.8
135.07979	4.9
135.11665	2.7
137.09587	10.1
139.07521	2.4
142.07756	1.1
143.08493	6.3
144.09377	0.5
145.02841	2.0
145.04976	0.9
145.10065	7.4
147.04369	0.6
147.08003	1.3
147.11652	5.7
149.02344	0.7
149.09583	3.5
149.13181	1.2
151.11087	0.8
155.08539	2.0
156.09296	1.1
157.10100	7.4
159.08060	2.4
159.11626	9.6
161.09538	5.7
161.13235	2.1
163.03902	0.9
163.11166	0.7
165.09064	1.2
167.16431	0.7
169.10017	1.2
171.11626	3.0
173.09581	2.1
173.13223	4.8
175.11130	2.4
177.05376	3.8
177.12726	2.2
179.10670	0.7
182.10838	0.8
185.13193	1.1
187.14781	1.2
189.12761	1.1
189.16408	0.8
191.14273	2.4
195.13783	3.0
197.13196	4.2
201.12546	0.8
213.14696	6.2
213.98981	0.5
215.14197	4.8
217.15822	0.7
231.17322	0.9
233.15388	2.1
237.16365	0.7
251.16426	2.6
255.17291	2.4
259.17841	0.6
271.94424	0.6
273.18393	5.2
291.12341	0.7
291.19431	11.4
296.05441	0.7
309.20480	31.4
311.38950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16917	2.2
53.03924	9.6
54.38971	1.6
55.01843	10.4
55.05494	16.9
57.03410	8.1
61.02915	1.8
67.05474	29.0
67.67026	1.8
69.03404	27.1
69.04539	7.2
69.07040	19.2
69.48500	1.8
70.06566	9.2
71.04948	8.3
79.05472	24.2
81.03382	31.9
81.07027	100.0
83.04950	13.0
83.08608	1.9
85.02872	18.2
85.06527	2.9
91.05440	23.8
93.06427	3.0
93.07009	73.2
95.04927	21.9
95.08573	52.6
97.02864	31.9
97.06483	21.6
97.10112	4.2
97.43903	2.0
99.04412	10.0
103.03883	4.2
105.06991	41.0
107.04920	10.9
107.08562	69.0
109.02866	3.7
109.06453	15.2
109.10123	29.2
109.63622	1.9
111.04422	12.7
111.08013	3.6
112.07580	2.0
113.05965	4.0
115.03891	3.1
117.06969	8.0
119.08540	25.7
121.06490	10.6
121.10083	19.4
122.10379	2.0
123.04401	11.4
123.08051	3.7
123.11652	39.3
125.05952	7.6
125.09588	8.2
127.03840	4.9
127.07449	2.5
128.06157	4.2
129.06914	6.8
131.08553	15.2
133.06458	8.1
133.10081	29.6
135.04379	7.7
135.07990	11.5
135.11642	22.5
137.05943	8.5
137.09567	4.4
143.04857	3.1
143.08566	16.6
145.06493	3.4
145.10081	23.2
147.11647	10.7
148.05115	2.7
149.05995	2.7
149.09566	11.3
151.07466	3.6
151.11137	25.6
153.05421	59.5
153.12697	4.6
155.08502	2.6
157.06384	2.0
157.10097	10.8
159.08017	3.4
159.11629	14.1
161.05945	4.8
161.09604	10.7
161.13252	2.4
163.03905	2.5
163.11122	20.6
169.12166	9.6
173.09534	4.9
173.13083	2.5
175.07414	3.8
175.11148	2.6
177.05418	11.0
179.06964	14.6
179.10579	7.3
181.12170	11.7
189.12653	4.1
191.10733	3.1
193.08531	3.4
193.12186	2.2
197.07961	4.9
203.06964	8.5
205.12106	2.8
207.06529	3.2
215.09085	9.4
217.12251	4.9
229.12216	8.1
231.06442	21.9
241.12082	3.7
247.13148	13.0
249.07430	4.1
259.13147	15.3
261.11145	3.9
277.14194	27.3
291.15875	2.7
295.15280	13.7
296.39240	2.3
313.16211	4.1
386.88272	2.0
427.84634	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88529	1.9
53.03932	4.4
55.01850	10.5
55.05496	24.3
56.79823	2.5
56.96566	2.8
57.03415	11.2
57.07071	3.5
59.53244	2.2
66.95206	2.2
67.05477	24.6
67.77382	2.5
69.03403	32.1
69.07033	34.5
70.07363	3.1
70.08086	2.3
71.04965	5.9
73.02906	4.5
73.29068	2.1
79.05458	24.4
81.02990	2.6
81.03395	23.2
81.07018	68.8
83.04970	19.2
83.08585	6.0
84.05299	3.2
85.02880	27.9
85.06524	4.8
87.64870	2.3
91.05453	20.5
92.09298	5.3
93.06999	44.3
95.04932	20.4
95.08569	55.1
97.02858	27.8
97.06485	53.3
97.10123	4.8
98.06806	4.0
99.04400	3.4
99.08066	6.3
103.05431	10.7
105.06995	39.4
106.07383	3.4
107.04932	6.4
107.08565	44.4
109.02856	5.8
109.06506	5.5
109.10126	21.3
111.04411	11.7
111.08034	6.0
117.03344	3.6
117.06989	13.4
119.04912	11.1
119.08527	28.9
119.28741	3.0
121.06493	6.5
121.10107	23.6
123.04382	100.0
123.08055	4.1
123.11645	21.6
125.05933	3.1
125.09628	11.4
127.03909	5.8
129.06952	26.2
131.04865	22.7
131.08531	14.8
133.10086	33.0
135.04335	20.3
135.08025	25.3
135.11690	15.2
136.04720	4.6
137.05946	6.6
137.09566	10.4
143.08540	12.4
145.02837	14.0
145.06413	28.0
145.10088	20.1
146.03140	5.7
147.04379	34.1
147.08035	13.5
147.11665	12.9
149.05928	58.2
149.09590	13.0
151.07460	3.0
151.11128	17.5
153.09094	3.2
157.06454	26.5
157.10100	12.8
159.07982	13.9
159.11639	9.9
160.05136	3.4
161.05907	11.6
161.09564	6.2
163.03835	94.5
163.07465	82.7
163.11124	11.4
164.04166	45.1
165.04266	26.0
169.10057	10.0
171.08005	3.6
171.11562	4.4
173.05919	11.6
173.09517	4.9
173.13176	3.8
175.03973	2.7
175.07478	80.9
175.11084	3.9
175.14745	3.4
176.08363	3.7
177.05559	2.6
177.09091	13.5
179.06981	3.5
181.10048	3.4
185.13190	4.4
187.07486	15.8
187.11143	3.6
187.14717	3.2
189.09041	15.5
195.07996	5.3
199.07526	4.0
201.09096	5.4
201.16234	3.1
203.10603	5.0
213.09091	12.5
215.07021	3.4
215.10780	9.2
215.14183	3.2
217.04932	2.9
217.12164	4.5
220.35457	2.7
229.12186	3.7
237.12778	4.3
239.08826	2.7
241.08499	3.0
243.09171	3.8
245.15234	4.8
255.13715	15.4
259.09525	45.3
259.12161	3.0
259.13260	3.0
260.09830	51.2
261.10120	32.7
271.13458	3.3
273.14783	43.0
273.18106	8.6
277.14389	3.4
277.83774	2.7
291.15863	16.4
291.19522	20.7
309.20419	20.6
313.16235	3.2
325.15814	4.7
326.16345	10.0
360.09839	2.7
399.17889	17.6
417.18842	17.5
421.00919	2.9
435.19971	29.1
453.16452	3.7
488.21585	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	488.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
52.49353	0.5
53.03934	8.0
54.24062	0.5
55.01857	4.2
61.02898	9.8
65.03910	4.1
67.05480	4.5
69.03394	2.5
75.04436	2.2
75.65951	0.6
77.03916	0.9
78.04682	1.3
79.05464	3.9
81.03390	3.3
85.02861	6.2
89.03895	0.9
91.05441	10.0
93.03370	6.5
93.06994	3.5
95.04931	93.3
97.02868	1.4
97.06493	2.5
99.04395	0.6
103.05426	7.6
105.04472	3.9
105.07003	3.8
106.04140	21.1
107.04920	6.3
108.02071	2.5
109.06483	0.9
111.04386	1.2
111.24213	0.6
115.03940	0.8
117.03362	0.6
119.04901	2.5
121.06469	24.4
123.04388	100.0
125.05947	6.4
126.53390	0.6
127.03856	0.8
127.07503	2.5
130.15889	2.2
131.04919	4.5
132.05672	1.6
133.02782	1.2
133.06450	2.1
134.03590	4.0
135.04414	2.7
137.05908	5.0
139.07497	1.3
140.04639	26.6
145.02866	0.7
147.04398	3.1
148.05159	3.7
149.05934	37.6
149.07118	1.3
151.03883	1.5
151.07506	1.3
152.08257	0.8
153.05391	1.6
153.09068	6.7
155.06990	46.9
159.04417	1.0
161.05968	5.0
163.03865	3.7
163.07515	3.2
165.05452	2.8
167.06987	16.6
173.08083	0.9
177.05409	18.8
179.07013	0.7
180.07751	1.5
181.08527	11.7
181.09987	0.8
183.06465	66.2
191.06902	5.0
192.07727	2.6
193.08582	3.1
195.06473	6.7
209.08026	59.0
225.07547	2.4
227.09035	0.8
231.52429	0.7
243.08548	1.4
341.47018	0.7
403.13971	1.0
435.16132	0.9
436.85645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.66441	2.1
53.84426	2.1
55.05491	11.5
56.96553	2.7
57.07045	4.1
62.71742	2.2
67.05479	20.5
67.68546	2.2
69.07042	16.6
71.04936	2.7
79.05470	17.6
81.07023	41.0
83.04968	4.0
83.08591	11.0
85.06538	3.6
91.05437	25.8
93.07017	51.3
95.04960	2.9
95.08578	47.0
97.06495	3.3
99.08049	15.7
105.07003	65.9
107.08575	83.2
109.06525	4.5
109.10110	28.2
111.08023	6.2
117.06989	11.0
119.08544	75.1
121.06461	3.1
121.10086	48.2
123.08041	3.3
123.11674	15.6
129.06929	5.6
131.08530	39.8
132.08844	2.6
133.09204	3.6
133.10107	51.7
135.08011	6.5
135.11676	23.4
142.07794	6.1
143.08516	19.9
145.10078	49.4
147.07980	2.9
147.11646	54.7
149.09602	3.4
149.13239	10.5
153.12746	2.6
155.08519	2.9
156.09300	3.1
157.10066	28.7
159.11641	45.2
160.11931	2.9
161.09604	4.1
161.13210	24.6
162.13535	4.9
163.11078	3.9
163.14792	5.6
169.10092	14.6
170.10710	3.7
171.11606	22.6
173.13168	36.8
174.38641	2.5
175.11061	2.8
175.14748	19.3
177.16344	4.2
179.14244	3.6
183.11667	15.2
185.13234	26.5
187.14748	42.3
189.12724	3.9
189.16350	15.2
191.14268	6.2
191.17976	2.8
195.11711	4.5
196.12369	3.4
197.13191	13.4
199.14751	31.4
201.16321	21.4
203.14224	3.6
203.17958	4.7
205.15843	6.1
209.13280	10.3
211.14813	5.8
213.16315	12.3
215.18057	3.8
225.16367	3.2
227.17825	3.9
231.17445	4.7
253.19455	4.7
283.20502	17.2
301.21640	12.6
369.27820	16.2
405.31418	15.7
423.32587	32.6
441.33566	100.0
442.34085	3.3
451.31726	12.7
469.32669	4.6
487.33960	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	487.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01841	2.7
55.05490	18.1
57.03402	3.0
57.07045	4.3
58.27221	1.3
59.04966	1.7
67.05472	19.7
69.03400	9.3
69.07039	25.6
71.04958	7.8
79.05467	24.4
81.03403	1.8
81.07024	52.6
83.04938	10.1
83.08568	12.5
85.02863	8.4
85.06521	3.3
89.05971	2.3
91.05444	34.8
93.07001	59.8
95.04962	12.1
95.08562	49.1
97.06476	9.8
97.10117	2.8
99.08056	23.7
100.75790	1.7
105.06994	52.4
107.08559	100.0
109.06516	2.6
109.10115	43.3
109.25691	1.8
111.08054	7.6
111.11631	1.6
117.06948	12.8
119.04871	2.5
119.08530	82.1
121.06415	2.1
121.10098	49.5
121.10929	2.0
123.08022	3.5
123.11652	19.7
127.03854	2.0
129.06949	8.8
131.08513	44.7
133.06458	2.2
133.10074	58.5
135.07990	7.0
135.11632	33.1
137.09552	4.0
137.13194	3.8
139.11134	2.1
141.06964	2.1
142.07707	3.1
143.08504	24.4
144.09244	2.3
145.10074	58.2
147.07979	7.4
147.11642	80.7
149.09531	3.3
149.13220	17.2
151.11110	3.2
153.12703	2.8
155.08525	7.2
156.09306	3.6
157.10074	31.8
158.10849	2.2
159.11617	54.8
161.09564	2.3
161.13182	30.7
163.11102	8.9
163.14763	7.8
165.12616	2.9
168.09314	1.8
169.10063	10.0
171.11617	30.3
173.13181	38.9
175.14751	14.5
177.12643	3.0
177.16293	10.4
179.08800	1.8
181.10016	3.6
182.10898	3.3
183.11639	30.4
185.13191	24.9
187.11165	2.4
187.14774	42.9
189.12659	3.6
189.16336	7.6
191.14275	7.1
191.17931	2.0
192.58913	1.7
195.11629	1.9
195.13739	2.6
197.13222	14.8
199.14760	35.9
201.12717	3.0
201.16309	27.2
203.14288	3.6
203.17772	6.8
205.15805	30.9
209.13167	7.9
211.14755	8.5
213.16341	14.9
215.14236	3.3
215.17873	3.1
217.12314	2.1
217.15833	3.5
219.17458	7.6
221.13220	2.0
221.18983	3.2
223.14825	6.1
223.16823	7.4
225.16357	3.3
227.17912	3.8
229.15703	2.2
231.17336	2.6
237.16438	2.5
239.17836	6.6
251.17957	3.5
253.19400	10.8
257.18631	2.7
267.20959	2.7
269.18793	3.1
283.20459	40.4
285.22034	3.5
301.21396	7.8
335.23694	2.0
351.26950	12.8
369.27722	9.4
405.31296	22.4
405.96530	2.0
423.32513	33.1
433.30676	2.1
441.33444	89.0
451.32242	13.2
487.19406	7.6
487.30048	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	487.3409
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05499	19.4
57.07043	17.6
64.32283	2.8
67.05477	20.0
67.58987	2.5
69.07043	31.4
71.08594	13.1
79.05450	19.8
81.07021	58.1
83.04942	22.6
83.08570	11.9
85.02891	3.4
89.05987	26.4
90.06313	3.7
91.05455	34.4
93.07015	68.9
95.04938	4.6
95.07954	3.1
95.08571	69.7
97.02885	3.4
99.08057	6.6
105.06998	71.3
107.08554	100.0
109.06487	14.3
109.10106	42.1
111.07996	4.1
111.11657	3.2
117.06979	11.8
119.08543	88.0
121.06451	4.7
121.10091	49.8
123.07996	4.1
123.11652	17.6
125.09573	16.2
129.06882	4.9
131.08527	43.7
133.08577	3.3
133.10086	62.1
135.07999	3.1
135.11673	18.5
137.09532	5.7
137.12167	2.9
137.13235	3.8
142.07744	3.5
143.08540	24.9
144.09302	4.1
145.10085	58.0
147.11639	41.1
149.09590	3.3
149.13205	16.3
155.08495	6.7
156.09267	4.6
157.10098	33.0
159.11627	50.8
161.13232	25.9
163.11157	3.0
163.14767	6.0
169.10036	13.6
171.11652	28.5
173.13187	35.6
175.14740	30.8
177.16330	5.6
183.11604	15.8
184.12407	3.4
185.13222	37.9
187.14749	39.1
189.16328	15.0
195.11931	4.7
196.12486	2.7
197.13185	17.7
199.14780	35.2
201.16330	31.4
203.05188	2.8
203.14278	11.2
203.17891	6.6
203.58673	3.5
205.15810	6.8
211.14763	12.1
213.16380	25.5
215.14278	3.3
215.17796	10.5
217.15778	6.5
223.14697	3.1
225.16385	3.1
227.17926	3.7
230.38120	3.1
239.17778	4.8
241.19395	4.4
244.60257	3.0
249.15161	3.1
251.17825	6.0
253.19397	6.6
259.16858	3.4
267.20914	5.4
283.20380	4.8
307.24573	11.0
308.24991	18.2
351.26489	4.0
353.19757	3.6
387.30511	4.1
393.27832	3.7
395.29425	2.8
405.31329	33.4
407.32968	4.2
421.30643	4.3
423.32159	16.5
433.30719	15.7
441.33340	49.7
451.31989	31.1
469.33298	20.4
487.24756	6.0
487.32797	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	11.2
57.07055	2.6
59.34972	2.5
59.53028	2.2
67.05457	14.0
67.39908	2.1
69.07026	12.9
70.67332	2.2
79.05463	18.7
81.07018	27.2
83.08588	3.0
85.06496	2.9
91.05443	17.9
93.07011	45.1
95.04908	3.8
95.08569	32.7
99.08039	15.4
105.06991	37.6
107.08565	72.2
109.06474	3.7
109.10120	21.6
116.94707	2.3
117.06980	9.8
119.08549	62.9
121.10091	32.6
123.08012	2.9
123.11660	4.9
129.06943	10.4
131.08536	37.8
133.10080	42.4
135.07996	4.9
135.11690	20.0
143.08557	18.8
145.10068	48.1
147.11642	48.2
149.09532	3.8
149.13168	5.4
155.08557	3.5
156.09300	3.9
157.10098	28.1
158.10851	2.7
159.11633	43.6
161.13185	14.6
163.14729	3.9
169.10049	12.7
170.10822	2.8
171.11617	24.2
173.13200	37.2
175.14778	17.1
177.12747	3.7
177.16324	3.5
183.11615	20.6
185.13263	31.1
187.14728	37.7
189.16335	4.4
191.14252	10.2
195.11714	4.1
197.13141	6.0
199.14729	34.2
201.16312	34.8
203.14275	12.6
205.15800	15.3
209.13232	4.4
211.14717	10.1
213.16339	10.9
219.17232	3.5
223.16808	3.0
225.16319	2.9
239.17896	5.6
243.17386	3.1
253.19370	4.2
265.19443	4.4
271.20462	3.4
275.19885	3.3
283.20419	19.5
301.21460	15.9
330.23001	2.7
369.27615	14.9
383.14368	2.7
405.31290	14.6
423.32394	21.2
441.33469	100.0
451.31845	12.0
469.33243	4.1
487.34000	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.341
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.23266	1.1
55.05490	9.8
57.07045	2.5
58.63029	1.1
59.04971	1.3
59.25169	1.1
63.03185	1.2
63.60904	1.1
65.07940	1.3
65.20592	1.3
67.05489	10.7
69.07036	14.7
73.04800	1.2
79.05457	17.3
81.07017	25.2
83.04937	3.2
83.08572	8.4
85.02867	4.7
85.06482	1.9
91.05437	20.1
92.05728	1.8
93.07003	36.2
95.04939	5.4
95.08554	30.7
97.06493	2.7
99.08055	11.8
101.05987	1.5
105.06984	47.0
106.07296	1.6
107.08551	68.9
108.08857	2.2
108.50612	1.3
109.06487	5.3
109.10107	23.3
117.06965	6.4
119.08532	100.0
120.08858	2.8
121.06447	3.3
121.09258	2.7
121.10084	37.7
123.08017	6.2
123.11636	6.7
125.09564	2.4
129.06953	5.5
131.08530	39.1
132.08801	1.6
133.10069	55.4
134.10385	2.4
135.07999	17.4
135.11635	27.9
135.79562	1.3
137.09531	5.6
137.13145	2.1
142.07706	2.4
143.08553	13.4
145.10068	50.2
146.10455	2.7
147.11642	54.8
149.09557	3.4
149.13219	13.0
155.08415	2.9
156.09232	1.6
157.10086	15.6
158.10747	6.7
159.11627	37.7
160.11969	1.6
161.09546	8.8
161.13199	20.1
163.11124	9.1
163.14751	10.9
169.10040	6.0
170.10803	2.8
171.11592	8.6
173.13173	26.4
174.13515	1.9
175.11157	5.0
175.14735	21.1
177.12642	5.4
177.16302	6.3
179.14195	2.9
183.11575	5.9
185.13258	14.3
186.13597	1.5
187.14738	53.7
188.15028	2.1
189.12492	2.1
189.16325	15.4
189.66290	1.5
191.14250	15.8
193.15862	2.5
195.11665	2.1
197.13184	6.4
199.14714	14.6
201.12712	2.2
201.16304	41.6
202.13141	1.7
202.61215	1.5
203.14247	14.8
203.17827	1.7
205.15811	13.5
207.17419	1.9
209.13167	1.6
211.14821	4.9
213.16344	6.5
215.17879	2.3
217.15799	6.1
219.17422	2.0
221.15233	17.0
227.17786	1.7
229.15747	9.0
235.16782	2.5
237.16264	2.6
243.17242	1.5
247.16754	3.2
253.18982	1.7
283.20599	2.5
351.26566	2.3
369.27631	3.0
405.31381	21.6
423.32413	43.6
441.33405	34.0
450.30280	2.0
451.31616	11.1
469.33057	18.4
487.33566	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	487.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	14.4
57.03416	1.6
57.07043	4.3
63.37764	1.6
67.05476	14.5
68.97946	1.5
69.03419	2.2
69.07032	16.7
69.50819	1.5
72.17426	1.5
78.56814	1.5
79.05457	18.5
81.07028	32.2
81.98830	1.5
83.04913	1.8
83.08585	3.6
85.06525	2.7
91.05444	21.7
92.09387	2.4
93.07009	51.9
95.04939	3.0
95.08012	3.0
95.08569	44.4
97.06488	2.9
99.08047	22.5
105.01788	1.5
105.06998	47.3
107.08557	78.2
109.06475	4.0
109.10129	40.8
111.08047	3.1
115.87989	1.5
117.06953	8.9
119.08537	75.9
119.09385	2.6
120.03685	1.7
121.10096	44.4
123.07990	3.2
123.11627	12.4
125.09594	2.7
129.06900	6.3
131.08531	38.6
133.10085	52.9
135.08104	1.8
135.11655	22.1
137.09567	2.5
142.07748	3.0
143.08516	24.8
144.09334	4.1
145.10083	63.9
147.11641	73.7
149.09608	2.5
149.13206	14.5
151.11082	3.0
155.08528	6.4
156.09325	3.7
157.10072	37.2
158.10857	2.3
159.11636	49.1
161.13196	27.6
163.11166	7.2
163.14755	9.0
165.12709	2.6
169.10057	7.5
170.10892	2.4
171.11626	28.9
173.11798	3.2
173.13182	34.1
175.14726	16.4
177.12683	7.7
177.16290	9.9
178.80620	1.6
179.14285	2.6
181.09988	4.0
182.10768	1.7
183.11638	29.1
185.13147	25.9
187.14740	35.8
189.12805	1.8
189.16304	11.1
191.14297	3.9
195.11684	3.7
195.13695	2.5
196.12459	1.7
197.13232	17.9
199.14786	43.6
201.12642	1.7
201.16318	28.7
203.14218	4.2
203.17812	2.0
205.15800	31.3
209.13158	3.0
211.14761	14.3
213.16322	14.5
215.17973	6.0
217.15869	7.7
219.17499	3.1
223.14983	4.7
223.16895	10.8
225.16405	6.9
227.17949	2.7
229.15620	1.8
239.17831	7.9
241.19437	2.1
247.16902	1.9
251.17760	2.6
253.19417	6.7
255.20995	1.8
257.18829	3.1
259.20212	1.9
265.19580	3.7
271.20471	4.1
283.20413	37.3
285.22037	3.3
301.21494	10.4
333.25418	2.6
335.23749	2.1
351.26675	9.6
369.27686	8.4
393.31537	2.2
401.37329	1.9
405.31339	24.6
423.27161	2.3
423.32483	39.3
441.33456	100.0
451.32001	14.9
469.32996	12.7
487.33118	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01837	1.8
55.03518	1.4
55.05494	15.4
57.07051	6.2
59.04988	2.0
67.05476	22.6
69.03397	9.7
69.07041	26.1
71.04969	3.6
75.52307	1.3
79.05466	21.8
81.03398	2.9
81.07026	45.8
83.04935	11.2
83.08588	12.1
85.02886	11.8
85.06499	3.3
86.20819	1.5
87.00757	2.0
87.04468	1.8
89.05995	2.0
91.05447	25.0
93.07005	64.1
95.04942	9.4
95.08572	41.9
95.09151	2.5
97.02850	2.6
97.06506	10.2
97.10123	1.8
99.08054	24.0
105.06992	47.7
107.04949	1.9
107.08559	86.1
109.06471	3.5
109.10125	43.6
109.97524	1.5
111.04372	1.7
111.08040	3.7
117.07018	10.8
119.08540	81.6
121.06472	6.4
121.10082	41.8
122.10488	1.9
123.08032	6.9
123.11663	16.5
123.86385	1.5
125.09563	3.2
127.03853	6.8
128.06198	2.3
129.06984	8.4
131.08536	35.1
133.10089	55.9
135.07980	3.3
135.11642	28.8
137.09645	2.1
137.13196	3.1
141.06976	2.9
142.07756	3.7
143.08501	21.0
144.09271	2.3
145.10078	55.9
147.08005	3.3
147.10471	2.4
147.11646	70.7
149.09583	3.5
149.13235	10.3
151.11168	3.7
153.06927	1.9
153.12689	2.6
155.08498	7.3
156.09282	6.7
157.10063	27.9
158.10794	1.9
159.11626	43.6
161.13181	24.1
163.11067	2.4
163.14769	7.0
165.12782	1.9
169.09998	13.2
170.10857	8.0
171.11646	30.8
172.12361	3.4
173.13190	33.7
175.11032	3.1
175.14781	11.9
177.12735	6.2
177.16335	3.6
181.10054	2.6
182.10818	2.4
183.11662	21.4
185.13200	21.0
187.14728	34.3
189.16324	9.6
190.35005	1.8
191.14264	2.4
195.11736	2.3
197.13177	15.4
199.14760	33.8
201.12706	2.6
201.16362	16.5
203.10490	2.0
203.14345	3.3
203.17941	3.5
205.15797	20.6
207.11577	1.6
209.13167	1.9
211.14734	10.2
213.16354	15.4
215.14278	6.4
215.17915	3.3
217.15762	3.8
219.17397	2.5
221.13139	2.6
221.15192	2.4
221.18967	5.9
223.14864	3.2
223.16930	6.8
225.16357	7.2
227.17854	7.0
231.17390	1.9
237.16324	2.8
239.17899	3.8
241.19484	2.0
243.17355	3.4
253.19403	9.1
257.18985	2.2
259.09970	2.3
259.20532	2.1
260.09903	2.1
265.19608	2.4
267.20932	2.0
269.18768	1.8
271.20462	5.6
283.20462	27.7
285.22134	3.1
291.20850	2.0
301.21503	10.6
307.26062	3.3
318.57745	1.8
327.23883	1.7
351.26727	7.4
369.27618	13.5
379.29675	1.9
405.31384	22.8
423.32498	26.4
441.33502	100.0
441.39560	3.7
451.31824	8.1
469.33273	2.4
487.21173	2.9
487.29749	4.6
488.36700	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3408
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05498	11.2
57.07044	3.8
67.05475	14.4
69.07040	15.8
71.42525	3.2
76.63673	2.8
79.05466	12.8
81.07036	31.9
83.04963	2.9
83.08582	5.6
85.06539	2.7
91.05443	25.7
93.07012	36.9
94.18621	2.6
95.08572	56.7
97.06491	11.1
105.07005	50.7
106.35525	2.3
107.08569	62.2
109.06495	4.2
109.10125	27.8
111.08081	5.0
117.06976	13.3
119.08533	72.3
121.06541	3.7
121.10102	63.5
123.08038	5.4
123.11694	5.7
129.06976	10.7
131.08524	44.8
133.10080	63.1
135.08026	5.6
135.11633	29.2
137.09581	5.3
142.07747	4.2
143.08507	23.4
144.09227	4.6
145.10081	73.0
147.11646	29.9
149.09570	4.7
149.13232	4.1
156.09337	2.8
157.10072	34.0
159.11646	54.5
161.13185	27.4
163.11125	15.9
163.14786	12.9
165.12617	2.7
170.10915	3.8
171.11702	18.3
173.13199	45.7
175.11118	3.5
175.14740	32.3
177.12709	11.2
177.16327	33.2
183.11668	2.9
185.13141	25.0
187.14755	43.8
189.12752	2.7
189.16319	27.9
191.14299	4.8
191.17865	5.3
197.13220	4.6
199.14777	42.9
201.12701	4.9
201.16295	24.8
203.14212	6.0
203.17914	3.8
205.15831	100.0
213.16321	12.6
217.15814	41.6
219.17349	10.3
225.16331	2.9
231.17354	2.6
267.21179	3.2
284.77393	2.8
295.62808	3.1
377.34128	2.3
405.31458	37.1
423.32431	54.4
433.30954	5.4
441.33533	5.2
451.31967	61.4
469.33014	17.2
487.33847	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	487.3406
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05493	4.0
57.03401	1.3
67.05472	5.9
69.07044	8.7
79.05447	7.8
81.07024	18.9
83.04919	1.0
83.08578	2.0
85.02859	1.2
85.06507	1.6
91.05442	11.1
93.07006	19.6
95.08563	23.6
97.06466	4.3
97.89227	0.9
99.08042	8.0
103.05421	1.3
105.06984	37.6
107.07893	1.8
107.08558	31.5
109.06501	1.9
109.10135	12.3
111.08032	1.4
111.11678	1.2
114.34534	1.0
117.06953	6.1
119.08528	50.8
121.06498	1.4
121.10092	14.8
123.08000	2.6
123.11638	6.5
125.05964	3.7
129.06978	1.4
131.04866	8.5
131.08527	22.0
133.06485	1.3
133.10078	39.8
135.07971	1.6
135.11642	48.0
137.09520	2.2
137.13187	3.9
143.08539	7.8
145.10081	15.5
147.07982	13.0
147.11642	30.9
149.05927	23.2
149.09637	1.1
149.13188	9.9
151.11105	5.7
155.08496	1.0
156.09239	1.9
157.10066	6.0
158.10846	1.3
159.11644	12.0
160.12419	1.3
161.09587	1.4
161.13220	11.0
163.14761	13.5
165.12732	1.1
170.10727	1.2
171.11613	6.3
173.13196	20.1
175.11137	4.5
175.14738	6.9
177.12733	1.7
183.11610	4.2
185.13193	7.0
187.14734	10.3
189.16304	83.1
191.14330	1.3
197.13245	2.0
199.14740	5.8
201.12651	8.7
201.16331	5.8
203.14247	5.6
205.15811	5.0
207.17363	100.0
213.16252	4.1
219.13725	23.1
221.15269	1.6
283.20407	2.3
301.21414	1.9
333.69418	1.2
335.31677	1.2
405.31238	3.6
423.32584	13.9
425.33908	4.6
441.33496	75.0
443.35330	1.8
451.31482	1.8
469.33081	1.9
487.34088	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	487.3408
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.74369	2.8
55.05498	18.4
57.07050	4.2
59.78593	2.4
59.90948	2.3
61.24135	2.4
67.05483	25.4
69.07050	18.4
71.05012	2.8
74.14403	2.5
79.05465	28.0
81.07027	65.2
83.04950	35.0
83.08587	6.8
91.05454	26.5
93.07008	49.5
95.04926	11.2
95.08573	68.8
97.06509	4.2
97.10062	2.6
105.06995	78.1
107.08555	100.0
107.09217	4.6
109.06480	12.4
109.10114	42.4
111.08045	10.5
113.70025	2.9
115.05466	3.2
117.06983	6.6
119.08543	90.8
121.10101	58.4
123.08031	6.0
123.11683	18.2
125.09565	5.8
129.06938	14.6
131.08517	41.9
133.10091	72.1
135.08028	5.5
135.11644	26.1
137.09651	6.2
137.13161	3.4
142.07677	5.0
143.08536	33.8
145.10101	83.3
147.11656	40.0
149.09543	4.2
149.13228	13.2
155.08575	4.6
156.09233	3.2
157.10088	38.7
158.10828	3.0
159.11642	46.8
161.09572	5.6
161.13210	30.8
163.14766	17.1
169.10060	13.3
170.10834	5.9
171.11588	32.2
173.13188	39.1
175.14777	57.9
177.12617	4.0
177.16302	13.6
181.10002	3.3
183.11667	10.9
184.12457	3.5
185.13206	72.0
187.14764	45.3
189.16345	26.1
195.11691	5.2
197.13219	14.6
199.14777	44.8
201.16339	31.1
203.14252	53.9
203.17815	4.2
205.15823	24.2
209.13174	2.7
211.14758	12.5
213.16351	24.0
215.14290	4.7
215.17940	2.9
217.15878	5.2
217.81689	2.7
219.17426	4.9
221.15292	3.8
223.16882	4.8
225.16339	13.5
227.17857	5.4
231.17491	3.1
237.16254	3.7
239.17894	10.1
241.19496	13.2
241.36964	2.9
245.15508	3.6
247.16830	3.2
249.14760	16.9
251.16251	4.7
253.19431	5.8
267.20926	3.2
387.30130	5.7
393.27628	12.3
405.26443	5.5
405.31326	34.4
423.32645	21.6
433.30930	6.0
441.33417	53.6
451.31876	57.8
469.32846	11.6
484.29874	3.0
487.34042	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3408
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
54.80602	2.1
55.05481	12.2
57.07040	3.9
63.24726	1.7
67.05477	17.9
69.06736	1.7
69.07048	21.0
69.41150	1.8
79.05442	17.8
81.07021	34.8
83.08582	8.4
83.78506	2.3
84.07951	2.4
84.35476	1.9
91.05424	22.2
93.07004	55.6
95.04915	4.8
95.08569	64.7
97.06487	3.7
97.10169	2.6
104.50435	2.1
105.06991	54.0
107.08556	71.2
109.06452	11.7
109.10128	38.7
111.08013	3.0
113.05970	10.1
117.06941	8.8
119.08537	100.0
121.06453	10.7
121.10097	58.6
123.08015	13.8
123.11676	15.1
130.59413	2.0
131.08525	37.1
133.10088	72.1
133.11084	4.5
135.08032	16.2
135.11632	30.5
137.05902	2.3
137.09641	3.8
143.08510	13.4
145.10085	54.3
147.07990	11.5
147.11639	53.9
149.09550	14.7
149.13184	20.5
149.56998	2.1
153.09053	3.9
156.09286	2.6
157.10094	15.9
158.10825	2.8
159.11635	34.9
161.09552	13.1
161.13200	37.7
163.11101	8.2
163.14790	21.8
165.09047	20.6
169.10027	3.4
171.11644	14.0
173.09573	3.9
173.13176	29.1
175.11086	8.9
175.14752	35.3
177.12703	3.7
177.16373	20.8
183.11623	3.4
185.13187	4.4
187.14754	59.2
189.12683	16.6
189.16333	48.4
191.14284	3.7
191.17874	10.9
199.14726	17.7
201.12589	4.2
201.16319	32.9
203.14273	11.2
203.17876	42.3
207.13770	5.3
211.14714	7.9
211.42421	2.3
213.16345	19.8
215.14267	8.3
215.17818	23.7
217.15848	9.9
219.13821	2.5
221.15150	3.1
227.17659	2.6
229.19322	6.6
231.17371	3.0
233.15134	4.2
235.16893	11.4
237.14610	2.9
239.17982	2.7
241.19402	7.4
247.16824	4.8
249.18217	4.2
267.21002	4.6
309.25977	2.6
387.30014	4.7
393.31155	4.0
405.31473	16.3
423.32486	43.9
433.30936	9.5
441.33432	12.9
451.31763	23.6
469.33160	23.0
487.34073	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	487.3406
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05496	3.0
57.07054	2.4
65.51625	1.5
66.08566	1.4
67.05453	3.5
69.07031	8.1
73.75526	1.5
79.05465	14.5
81.07028	15.1
83.08601	3.1
85.02889	1.9
91.05441	14.2
92.09419	1.9
93.07017	33.1
95.08572	26.5
97.06464	2.3
99.08044	8.7
101.05965	2.0
105.06998	43.8
107.07889	3.2
107.08560	70.7
109.06512	1.9
109.10140	17.0
111.08069	1.7
117.06912	3.2
119.08540	100.0
121.10085	40.4
123.08034	8.3
123.11655	3.6
131.08524	35.3
133.10083	51.3
135.08014	25.5
135.11646	28.2
137.09576	6.5
139.20415	1.9
143.08505	10.4
144.09261	1.9
145.10066	35.6
147.11644	56.0
147.86581	1.8
149.09547	7.1
149.13220	14.5
157.10065	14.9
158.10898	2.7
159.11641	37.3
161.09543	8.6
161.13162	20.5
163.11101	9.3
163.14758	11.8
169.09985	3.0
171.11760	6.2
173.13202	21.3
175.11050	4.0
175.14774	18.5
177.12766	3.0
179.10747	2.6
179.14304	2.4
183.11670	2.1
185.13219	10.9
187.11124	2.5
187.14755	60.0
189.12767	2.2
189.16299	15.3
191.14259	14.4
193.15875	3.7
199.14755	10.6
201.16322	38.2
201.18024	3.0
203.14244	11.2
205.15814	13.4
207.17374	3.2
211.14815	3.0
213.16368	8.2
215.14110	1.9
217.15871	8.7
219.17313	2.7
221.15247	24.1
229.15854	7.9
231.17377	2.7
235.16862	3.3
243.17265	3.0
247.16751	3.9
261.18637	2.1
369.27475	2.2
387.29877	2.3
405.31296	24.2
423.32443	52.8
441.33429	32.9
451.31754	10.8
469.32910	28.8
487.33829	3.5
507.96783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3409
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.94587	1.2
53.00289	1.1
53.40035	1.1
55.05492	13.3
57.07045	2.7
59.35220	1.3
65.03874	1.8
65.87936	1.2
67.05486	19.9
69.03407	2.4
69.07045	19.8
79.05465	22.4
81.07021	35.9
83.04964	1.9
83.08591	8.0
91.05439	18.5
92.08706	2.4
92.63181	1.6
93.07011	42.9
95.04918	8.2
95.08566	59.4
97.06503	7.3
105.06998	48.8
107.08564	56.2
108.23961	1.3
109.06469	8.2
109.10119	36.4
111.08057	2.8
113.05964	8.4
117.06992	8.6
119.08537	100.0
121.06451	5.5
121.10106	59.6
121.10988	1.8
123.08058	11.7
123.11653	14.2
125.09539	2.1
128.06184	1.9
129.06972	3.2
131.08508	32.8
133.10083	68.7
135.07993	10.4
135.11642	28.2
137.09573	5.8
137.13188	2.9
137.19287	1.3
139.07486	2.4
141.63733	1.4
142.07703	1.8
143.08513	18.4
144.09283	1.9
145.10086	51.6
147.08003	6.9
147.11649	32.4
149.09567	15.6
149.13214	15.4
151.11104	1.7
153.09079	2.6
155.08511	2.1
156.09261	2.8
157.10071	17.0
158.10915	3.0
159.08096	2.0
159.11627	31.1
160.08798	1.6
161.09554	8.3
161.13220	27.3
163.07523	1.8
163.11130	2.6
163.14778	17.5
165.09065	17.8
165.12625	1.9
169.10071	6.3
170.10953	1.7
171.11603	15.3
173.13200	28.6
175.11099	3.4
175.14746	31.7
177.12729	1.7
177.16295	19.1
179.10728	1.7
179.14240	1.4
183.11592	3.3
185.13222	9.1
187.14767	54.2
189.12718	7.2
189.16318	48.8
191.14267	8.5
191.17899	5.6
197.13239	5.7
199.14746	22.3
201.16316	33.3
203.14180	2.7
203.17882	27.2
205.15764	2.8
209.13197	1.4
211.14810	3.0
213.16315	25.9
215.14319	6.4
215.17883	21.9
217.15802	8.9
217.19298	2.1
219.13997	2.2
225.16266	2.9
227.17924	2.2
229.15891	1.6
231.17389	3.2
233.15356	2.6
235.16901	3.5
239.17799	1.7
241.19417	3.5
243.20897	1.9
247.17024	1.7
249.18411	1.9
255.20985	1.9
261.18399	7.0
267.20966	10.0
269.22372	1.9
309.25729	6.5
347.27466	1.6
355.26160	2.0
369.27740	2.4
379.29944	1.9
387.30371	2.2
393.31097	1.7
395.32816	2.1
405.31140	16.7
407.32813	2.7
411.20233	2.0
411.28513	2.8
423.32394	32.0
425.33905	7.9
433.30426	5.3
441.33133	6.8
451.31723	10.0
469.33038	21.0
487.34103	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3407
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03912	1.7
55.05494	15.5
57.03410	3.1
57.07061	3.4
57.42688	1.6
59.04963	1.9
67.05475	19.4
69.03404	3.0
69.07031	21.2
71.04933	2.2
79.05454	17.6
81.07014	40.6
83.08589	9.0
85.06532	2.3
91.05435	25.5
93.07004	48.9
95.04940	7.1
95.08567	58.2
97.06493	8.4
97.10138	2.3
99.08051	2.3
105.06983	63.1
105.88853	1.7
107.08555	84.3
109.06477	10.6
109.10097	36.1
110.32415	1.6
111.08022	8.1
113.05944	3.3
115.07506	1.9
117.06978	11.9
119.08533	100.0
121.06441	7.3
121.10098	64.6
123.08003	11.8
123.11652	17.3
125.09570	3.0
129.06897	6.5
131.08504	42.4
133.06540	1.7
133.10077	99.4
135.07983	7.6
135.11641	39.2
137.09554	3.8
139.07506	2.6
142.07761	3.1
143.08551	16.8
145.10078	62.9
147.08018	3.1
147.11641	36.6
149.09543	20.6
149.13188	21.4
151.11124	2.5
152.72079	1.7
153.09045	2.6
156.09268	2.9
157.10068	20.6
158.10841	2.8
159.11626	34.8
161.09538	7.6
161.13161	26.7
163.11118	3.9
163.14763	17.0
165.09012	3.7
165.12679	2.4
169.10110	3.8
170.10870	3.4
171.11638	15.1
173.09639	1.8
173.13193	34.5
175.11128	6.8
175.14764	36.0
177.12717	2.5
177.16331	11.6
179.10573	2.2
183.11592	7.4
184.12370	3.7
185.13225	8.2
187.14732	63.6
189.12619	3.4
189.16313	71.2
189.17966	3.2
191.14255	3.7
191.18004	2.3
193.15706	2.2
197.13211	3.4
199.14726	16.8
201.16296	60.8
203.14233	2.6
203.17914	17.9
205.15834	3.4
211.14835	2.8
213.16290	16.6
215.17848	30.1
217.15860	14.9
219.17316	2.4
221.15353	1.9
225.16336	2.9
227.17821	7.7
229.15903	2.2
229.19438	4.1
231.17314	3.2
233.15283	2.6
235.16769	14.0
239.17912	2.2
241.19385	3.6
247.16919	13.9
249.18306	3.1
253.19307	2.7
259.16644	1.8
261.18359	2.8
267.20920	2.7
269.22437	2.8
309.25671	6.6
323.27066	8.4
323.93231	2.6
351.26520	7.1
355.26102	3.1
387.30386	3.4
397.27432	2.2
405.31409	22.6
423.32364	69.5
425.33966	3.4
433.30829	3.6
451.31906	11.3
469.33215	17.8
487.33981	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	487.3407
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05488	23.4
56.16806	2.0
57.07047	9.5
59.76638	2.2
67.05474	20.3
69.07048	18.1
73.06523	2.3
79.05461	17.4
81.07025	37.3
83.04943	2.4
83.08591	24.1
85.02892	2.5
86.69553	2.1
90.27373	2.4
90.56934	2.5
91.05458	17.2
93.07005	47.4
95.08569	71.1
95.39204	2.3
97.06466	4.4
97.10126	3.4
99.08064	9.6
105.06993	52.5
107.08557	100.0
109.06474	5.7
109.10117	44.5
111.08023	5.1
117.06986	3.2
119.08539	92.4
121.06457	2.9
121.10099	72.3
123.08019	9.7
123.11643	12.3
129.06956	6.0
131.08519	37.9
133.10083	81.8
135.08012	9.7
135.11636	27.3
137.09569	3.6
137.13257	17.4
143.08522	25.4
145.10069	59.2
147.07983	5.8
147.11639	44.9
149.13235	22.5
151.11111	4.5
153.09065	5.0
155.08513	4.2
156.09357	3.0
157.10065	33.1
159.11629	31.8
161.09564	4.1
161.13170	34.5
163.07524	4.1
163.14745	16.2
167.10628	10.4
169.10065	5.7
170.10841	5.3
171.11636	18.3
173.13184	37.8
175.11188	3.6
175.14774	38.3
177.09041	2.8
177.16330	4.1
181.09825	2.4
181.12175	3.1
183.11659	15.1
185.13167	57.6
187.14740	45.2
189.16353	11.1
193.12216	3.9
195.11658	3.2
197.13239	5.4
198.13766	2.7
199.14769	35.7
200.04327	2.6
201.16281	34.5
203.14268	32.8
205.15854	3.2
209.13261	5.9
211.14787	10.8
213.16338	15.7
217.15831	4.9
223.16826	5.4
225.16357	9.1
225.71451	2.4
227.17896	11.0
233.15169	4.4
235.16914	3.7
237.18417	3.1
239.18022	3.1
245.15244	5.1
249.14783	11.9
259.16818	3.5
269.18848	3.4
297.22000	3.5
321.21863	2.8
367.30179	3.2
391.29935	26.4
395.29352	3.6
409.31064	18.5
423.32416	57.4
437.30450	12.3
441.33652	34.7
451.31900	9.3
455.31033	3.7
469.33112	23.5
487.34174	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	487.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69335	0.6
51.71449	0.7
53.00292	1.0
53.03928	7.3
54.63497	0.8
55.01852	5.5
55.05494	19.4
57.03427	6.0
57.06798	0.7
57.07058	8.2
59.04972	0.9
61.02908	5.7
67.05482	23.4
68.99761	1.8
69.03407	28.3
69.06677	1.4
69.07042	29.1
71.01334	1.2
71.04965	21.7
73.02876	3.9
77.48660	0.8
79.05467	25.6
79.47037	0.7
81.03389	18.4
81.07029	100.0
83.04966	3.4
83.08594	13.1
85.02876	49.8
85.06506	1.0
87.00798	27.5
87.04401	0.9
89.06017	1.5
91.05440	20.5
93.07011	52.7
95.04926	8.4
95.08572	51.7
97.02856	23.4
97.06498	10.1
97.10119	4.6
98.06818	1.0
99.04423	7.7
99.08055	3.9
105.01840	13.6
105.06997	60.3
107.04918	1.3
107.08557	77.5
109.02831	10.3
109.06492	5.7
109.10123	46.5
111.04398	1.1
111.08038	3.5
111.11691	1.8
115.03940	1.7
115.05420	1.0
117.01805	2.0
117.06977	5.2
119.08543	64.4
121.06464	1.5
121.10104	21.1
123.04407	1.1
123.08030	4.7
123.11660	24.2
125.09577	3.6
127.03863	18.1
127.11150	13.2
129.01833	1.6
129.06912	1.3
130.07721	0.9
131.08540	8.6
133.06490	1.0
133.10086	39.0
135.04327	1.2
135.08086	2.6
135.11646	64.0
137.09564	1.9
137.13191	4.2
139.11166	1.9
143.08534	6.4
143.10625	6.0
144.09348	0.9
145.02792	0.9
145.04935	5.4
145.10077	12.4
147.08014	1.2
147.11641	31.1
149.13210	9.7
151.09625	0.8
151.11121	1.5
151.14737	0.9
153.12698	4.5
155.08522	1.9
156.09378	1.1
157.10060	6.0
159.02827	6.3
159.08002	1.0
159.11656	13.4
161.02298	1.4
161.09544	2.0
161.13206	13.1
163.03835	3.7
163.11073	1.1
163.14754	3.6
167.10596	1.2
169.10130	1.0
171.11639	3.3
173.02281	1.7
173.13185	2.0
175.11099	1.3
175.14761	3.1
179.14340	1.0
181.10181	1.1
183.11642	1.9
185.13194	0.9
187.14786	3.2
189.03920	1.1
189.09119	0.8
189.16373	3.2
195.11673	1.2
197.13200	1.3
201.12662	1.4
201.16423	1.2
203.17896	40.5
203.19745	1.7
205.19470	2.0
213.16223	1.3
215.17957	1.5
216.07166	0.9
221.18927	25.2
225.12666	1.1
227.17752	1.2
231.04843	3.3
259.09552	1.4
260.09854	4.8
307.24847	1.5
311.19989	1.8
362.86295	0.9
433.21875	1.0
451.23367	1.5
487.21158	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	487.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.6
53.03920	8.2
55.01862	10.2
55.05497	22.4
57.03417	9.7
57.07051	5.2
58.24991	1.1
61.02890	5.4
67.05484	20.9
68.99773	2.5
69.03407	23.0
69.07052	26.2
71.04967	22.2
73.02879	3.1
75.19271	1.3
75.50497	1.2
79.05462	27.8
80.67021	1.1
81.03391	18.1
81.07027	100.0
83.04951	1.7
83.08601	9.2
85.02877	48.6
85.06522	1.9
87.00806	33.8
89.06561	1.2
91.05453	19.0
93.07008	54.8
95.04916	6.6
95.08573	55.0
97.02856	22.2
97.06470	7.9
97.10123	1.9
99.04408	8.0
99.08028	1.9
105.01834	12.1
105.06994	55.3
107.08562	77.7
109.02828	13.4
109.06506	2.8
109.10125	47.3
111.11701	2.1
115.03849	1.4
117.01792	2.4
117.06992	5.4
119.08534	71.6
120.74586	1.3
121.10110	23.3
123.08005	5.7
123.11666	26.5
125.09581	2.3
127.03866	17.0
127.11148	14.2
128.06087	1.4
129.01799	2.0
129.06955	1.7
131.08542	8.0
133.10094	40.2
135.07925	1.4
135.11646	69.7
135.12691	2.5
137.13243	5.9
142.07808	1.8
143.08485	5.2
143.10611	1.9
145.04892	7.1
145.10075	9.2
147.11644	32.0
149.13228	8.1
153.12711	2.6
155.08455	2.0
156.09332	1.8
157.10065	3.2
159.02837	6.0
159.07980	1.9
159.11691	11.4
161.13220	13.5
163.03938	1.6
163.14737	2.0
168.39102	1.3
169.10088	2.8
171.11586	5.2
173.13234	2.9
175.11111	1.5
175.14803	5.6
178.02629	1.4
181.10046	1.4
183.11591	1.5
185.13298	1.3
201.16345	1.4
203.17876	44.5
205.19357	2.2
221.18939	29.9
231.04947	2.1
259.09549	2.2
311.20035	2.0
315.75974	1.6
433.22437	1.9
451.22949	1.7
471.96545	1.3
480.62744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	2.3
53.03921	9.1
54.80872	1.4
55.01853	11.0
55.05277	1.7
55.05500	29.2
57.03411	8.0
57.07058	14.2
59.04965	2.8
59.37209	1.4
61.02899	6.0
64.32474	1.6
65.03928	2.0
67.05492	20.0
68.99760	3.6
69.03076	2.2
69.03405	37.2
69.07047	46.8
71.01311	1.4
71.04967	30.7
73.02884	6.4
73.06518	1.4
74.12975	1.3
79.05069	2.0
79.05471	26.8
81.03389	28.3
81.07031	94.1
83.04933	2.5
83.08599	20.0
85.02882	54.7
85.06493	3.5
87.00809	30.2
91.05437	24.9
92.08659	2.8
93.07014	92.8
95.04921	8.8
95.08572	56.4
97.02863	28.1
97.06484	7.6
97.10118	6.2
99.04392	8.5
99.08041	3.8
105.01841	15.7
105.06996	46.6
107.04824	2.0
107.08566	100.0
109.02840	16.4
109.06472	8.1
109.10128	46.0
111.08041	2.7
111.11700	2.2
115.03885	7.7
115.05382	1.7
117.01806	2.3
117.06952	5.5
119.05913	1.8
119.07736	3.1
119.08537	64.0
120.88574	1.5
121.06448	3.2
121.10104	31.1
123.08009	10.8
123.11681	35.8
125.09579	9.3
127.03899	22.7
127.11118	7.8
128.06215	2.3
129.01830	1.7
129.06982	2.3
131.08517	8.5
133.06412	1.7
133.10086	36.8
135.08043	2.7
135.11656	86.9
137.09564	6.4
137.13206	6.4
143.08530	7.1
143.10667	13.0
144.09238	1.8
145.04898	2.9
145.10028	12.4
147.08115	2.1
147.11650	34.4
149.09636	2.0
149.13240	35.6
151.11162	5.8
153.12712	9.0
155.08556	2.5
157.10094	7.5
159.02838	9.8
159.11618	17.6
161.13220	15.2
163.14772	6.2
171.11610	6.9
173.09587	2.0
173.13205	3.8
175.11107	1.9
175.14769	6.3
179.14243	1.5
183.11707	2.4
187.11145	3.1
192.09183	2.0
203.17906	39.4
205.19499	8.6
207.11728	2.4
219.04871	1.9
221.18953	55.9
223.20421	1.8
229.15747	1.7
231.17400	2.3
233.11459	1.7
233.18881	2.7
239.19928	1.7
311.20050	2.8
329.20895	2.0
433.22116	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65045	1.6
53.50023	1.6
54.81488	2.0
55.05499	24.3
56.51545	1.7
57.03414	3.1
57.07051	4.0
59.52031	1.6
67.05476	18.3
68.65196	2.0
69.03390	14.7
69.07040	44.9
70.73537	2.1
71.04964	15.0
79.05450	16.5
81.03380	8.5
81.07029	70.4
83.04971	3.7
83.08587	17.5
85.02881	23.8
85.06499	3.4
87.00808	10.8
91.05433	17.0
93.07009	53.3
95.04924	7.6
95.08566	44.6
97.02831	9.1
97.06501	4.4
97.10089	2.5
99.08064	9.9
105.01841	4.2
105.06998	62.1
107.08563	65.7
109.02831	2.4
109.06499	7.5
109.10127	42.9
111.08064	2.9
111.11690	11.6
117.06982	9.0
119.08537	100.0
120.08891	2.9
121.06455	3.9
121.10097	35.0
123.07998	2.9
123.11652	17.3
125.13246	2.1
127.03861	9.4
127.11167	11.4
129.01733	1.9
129.06969	8.2
129.95796	2.0
131.08539	23.8
133.10091	37.1
135.08018	4.5
135.11646	39.1
139.11153	2.4
142.07794	3.1
143.08568	16.1
143.09470	2.1
145.10088	35.3
146.10419	3.8
147.11655	34.6
148.18999	1.9
149.09621	3.8
149.13222	13.8
155.08493	2.2
156.09271	3.7
157.10097	20.0
159.07892	2.3
159.11659	32.0
161.09622	3.7
161.13188	23.3
163.11140	3.7
163.14777	3.9
169.10068	3.6
170.10779	2.6
171.11620	16.5
173.13208	18.2
175.14804	17.4
177.12755	3.0
177.16296	9.1
183.11620	11.3
185.09511	2.3
185.13168	23.5
187.14786	20.8
187.34489	2.2
189.12695	3.8
189.16347	10.7
191.14224	3.1
195.11656	2.7
197.13251	4.8
199.14807	16.6
201.12625	4.4
201.16331	15.6
203.14296	8.0
203.17860	30.9
205.15849	12.7
211.14824	2.3
213.16362	4.0
215.17860	4.1
221.18983	32.7
227.17857	3.7
239.17899	2.5
249.14798	2.4
271.20352	2.2
283.20486	3.0
285.18387	2.1
289.08801	15.6
399.19644	3.0
405.31433	8.4
423.32593	4.1
441.33282	11.6
451.32040	3.4
487.24951	57.9
487.32013	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	487.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
56.96535	0.5
60.04490	0.3
62.94785	0.2
65.83008	0.2
67.05475	0.3
69.03408	1.1
81.03380	0.4
81.16515	0.2
83.04944	0.4
85.02869	1.6
91.05441	1.7
93.07009	4.1
95.04906	0.5
95.15867	0.3
97.02843	1.2
98.97549	1.7
100.07572	0.3
103.05424	2.0
105.82671	0.3
110.06038	0.3
111.04449	0.3
116.98557	1.1
117.03252	0.3
117.66157	0.2
118.96365	0.3
119.01881	0.4
121.06458	100.0
122.06773	1.7
123.05527	0.3
127.03819	0.2
128.98582	0.3
129.05362	0.2
134.99649	0.4
135.04341	0.5
136.06151	0.5
138.08014	0.5
138.09096	15.6
142.08580	0.5
146.99576	0.4
147.04382	0.5
163.03798	3.1
172.95135	0.3
173.02934	0.3
177.00620	0.4
187.94093	0.3
188.09108	4.3
188.10626	0.3
219.01744	0.5
237.02678	2.0
239.04387	0.6
259.11612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2143
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.89934	0.5
51.90193	0.5
55.05487	1.0
67.05475	2.8
69.03406	1.2
69.04514	0.7
69.07046	2.4
73.37373	0.6
79.05470	2.4
81.03393	0.9
81.07020	5.3
83.04966	0.9
83.33456	0.6
85.02879	2.8
87.91854	0.5
91.05426	1.3
91.81200	0.6
92.08743	0.8
93.07026	4.8
95.04932	1.1
95.08558	3.3
97.06495	6.2
99.52046	0.7
105.06982	2.8
107.08563	3.7
107.58903	0.5
109.02847	0.9
109.10113	2.7
113.23235	0.6
119.08540	4.2
121.06435	0.8
121.10128	3.0
123.11606	1.0
131.08502	0.9
133.10068	2.2
135.11626	1.0
137.02267	0.6
137.09590	1.1
145.10078	1.4
149.13266	0.7
154.65784	0.6
159.11684	0.7
163.03867	3.2
173.02315	1.4
173.13379	0.7
174.02664	0.7
187.07507	0.6
189.16287	0.6
199.11238	0.7
203.05273	0.9
215.07019	3.3
216.07291	1.0
251.11208	3.2
259.09674	3.0
260.09937	3.0
269.12262	5.2
287.05725	0.6
287.10001	0.6
287.13345	2.7
296.64236	0.8
306.48688	0.6
325.15735	4.1
335.11902	0.7
349.49301	0.7
374.10684	0.7
390.39636	0.8
424.81940	0.6
443.22476	7.8
469.19434	0.8
471.41302	0.6
487.21292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0833
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
51.77584	0.5
53.03938	0.4
55.01859	1.1
55.05488	3.5
56.05816	0.6
56.26524	0.4
57.03412	1.0
61.02892	1.1
65.03899	0.7
67.05473	2.5
68.05818	0.5
69.03390	3.1
69.07037	5.5
70.06551	2.5
70.07359	0.5
71.04937	0.5
73.02883	0.6
79.05456	4.1
81.07027	2.8
82.07339	0.6
83.04951	4.8
83.08566	0.8
83.36700	0.5
84.08141	0.6
85.02864	4.0
86.09663	2.2
89.03880	0.7
91.48788	0.5
93.03372	0.7
95.04912	2.2
95.08558	1.9
97.02860	2.8
97.06489	39.7
98.06810	4.6
99.04388	0.5
100.11208	1.1
101.11565	0.5
107.08547	0.8
111.04415	4.1
113.87432	0.5
115.05401	0.5
129.05453	1.2
135.04369	2.7
136.04765	0.6
139.03917	2.0
143.08580	0.7
145.02757	1.2
147.04376	2.4
151.07610	0.5
153.06966	0.7
159.04379	2.5
161.02257	6.1
161.05923	2.2
162.02618	0.7
163.03830	18.9
164.04213	4.2
169.06464	2.0
171.08005	0.7
173.02266	10.6
174.02649	2.8
175.00670	0.6
175.03758	1.2
179.03461	1.1
185.04146	12.7
185.05766	1.0
187.07506	1.0
189.09076	1.1
191.03352	0.7
191.06941	2.1
193.04958	0.6
193.07042	0.6
195.08011	0.8
199.07507	2.0
200.04637	0.9
207.02875	3.4
215.06966	19.5
216.07297	7.5
217.08545	9.4
218.08826	3.7
223.07497	0.5
228.13792	1.0
231.10124	0.7
236.12383	3.0
237.14325	2.8
241.08452	1.0
245.13007	0.7
246.14819	5.6
254.13419	2.3
254.63596	1.0
255.13420	0.6
259.09537	41.9
260.09857	17.2
324.02310	11.3
325.03018	5.7
335.09311	2.7
451.15735	1.2
452.16159	1.2
487.08347	100.0
487.21222	81.7
488.09012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
54.07044	0.5
55.01856	0.9
55.05491	4.1
56.52712	0.4
57.03419	5.4
58.00866	0.6
61.30952	0.5
67.05473	3.4
69.03082	0.7
69.03410	10.7
69.07040	2.4
69.13142	0.5
71.04970	0.6
75.04459	5.4
79.05464	18.4
81.03395	10.5
81.07021	7.9
83.04943	4.2
85.02874	8.1
85.06479	0.6
86.09677	0.5
87.04430	0.8
91.05453	11.4
92.80235	0.6
93.03403	0.9
93.07010	100.0
95.04933	6.9
95.08569	7.5
96.32942	0.6
97.02853	7.4
97.06487	6.8
99.04379	1.0
103.05392	1.2
105.04481	1.1
105.06990	9.4
107.08560	14.5
109.02894	3.9
109.06456	0.8
109.10141	1.1
111.04409	3.7
111.08044	6.1
115.05346	0.8
116.98654	0.6
117.06981	2.4
119.08541	14.4
121.06490	2.1
121.10104	78.0
123.04394	14.8
123.08021	3.0
123.11687	1.3
127.03871	3.9
129.05421	2.4
129.06958	1.2
131.04910	0.8
131.08530	5.3
133.10075	2.3
135.04381	2.4
137.05928	0.7
139.11127	3.1
143.08493	0.6
145.02783	1.0
145.10051	1.1
147.04384	1.3
147.08046	0.7
149.05936	2.1
149.09573	10.2
157.06459	0.8
157.10034	0.8
159.07939	0.9
159.11603	0.7
161.02341	0.9
161.05963	1.3
161.09532	0.7
163.03847	13.3
163.11105	0.9
167.10609	18.0
167.11938	1.0
169.10068	1.0
173.02260	1.1
173.05963	2.4
175.07512	4.5
176.95888	0.6
177.09059	0.8
187.07544	5.6
192.10330	0.5
201.09106	0.6
202.60297	0.6
203.06973	0.6
213.09119	0.8
215.06924	3.0
215.10536	4.0
217.08524	0.7
231.10063	2.4
243.13730	9.9
253.12128	0.9
259.09543	9.7
271.13214	6.5
277.10641	3.7
285.14951	0.7
289.14249	0.8
293.13739	3.7
297.97009	0.6
311.14825	12.7
329.15811	1.2
415.17395	0.9
433.17746	0.8
451.15747	3.0
457.74179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01844	2.1
55.05504	4.0
55.24739	0.4
57.03414	5.6
60.22688	0.4
65.03915	0.5
67.05470	4.3
69.03403	10.6
69.07034	3.6
73.02905	0.5
75.04449	6.1
79.05462	20.3
81.03378	9.2
81.07024	8.0
82.91704	0.4
83.04932	2.2
85.02865	5.7
87.04417	0.7
91.05446	12.0
93.03376	0.8
93.07005	100.0
95.04936	7.8
95.08557	4.5
97.02844	6.5
97.06490	10.8
99.04405	2.9
103.03941	0.5
105.04475	1.1
105.06992	10.4
107.04897	0.5
107.08562	14.2
108.04526	0.5
109.02841	2.9
109.06465	0.8
110.01469	0.5
111.04405	2.9
111.08060	7.7
117.06991	0.8
119.08536	10.0
121.06426	2.5
121.10098	81.8
123.08012	2.1
123.11652	1.0
125.05956	1.8
127.03893	2.6
129.05467	2.1
129.98564	0.5
131.08519	4.5
133.07582	0.5
134.03568	0.7
135.04355	2.2
139.03902	1.0
139.11128	2.8
145.02811	2.4
145.04881	0.9
145.10104	0.9
147.06453	0.6
147.11713	0.7
149.09570	11.4
153.05432	11.6
161.05930	0.7
163.03842	22.2
165.05524	0.5
167.10625	16.5
173.02368	1.0
173.09622	0.5
177.05383	1.1
191.06914	0.5
193.07063	0.7
215.06932	1.1
217.04799	0.6
231.06619	0.9
231.10002	0.6
241.08667	0.9
259.09546	19.8
266.18002	0.5
275.12665	0.8
289.14325	0.7
293.13712	4.4
295.15701	0.5
311.14795	7.5
318.04977	0.5
329.15796	2.0
390.65265	0.6
397.16168	0.9
409.84808	0.6
433.14716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
54.80919	0.1
55.01844	0.8
55.05487	0.9
57.03185	0.2
57.03419	3.6
57.07053	2.9
58.44921	0.2
61.02906	1.5
63.04465	0.7
66.23517	0.2
67.05463	1.0
68.05809	0.2
69.03406	5.3
69.07036	1.4
70.04070	0.3
71.04956	0.7
71.08600	3.1
73.02883	5.7
77.03914	0.2
79.05461	2.4
80.94717	0.2
81.03384	2.6
81.07024	8.0
82.07347	0.3
83.04964	0.9
83.08585	0.4
83.85423	0.2
85.02876	12.4
85.06543	0.2
87.00797	2.2
87.04433	0.4
90.13626	0.2
91.03939	0.4
91.05450	1.0
93.07004	3.1
94.07376	0.2
95.04932	4.1
95.08567	2.8
96.08897	0.3
97.02852	5.8
97.06504	1.1
97.10105	0.2
99.04425	1.0
99.08020	0.3
105.03356	100.0
105.06996	3.0
106.03716	0.4
106.07351	0.3
107.08547	3.5
108.08908	0.7
109.02847	2.3
109.06463	0.8
109.10125	1.6
111.08060	0.2
113.13277	1.1
115.03898	1.7
117.06973	0.3
119.08540	3.3
120.08852	0.4
121.06425	0.3
121.10108	1.8
123.08019	0.8
123.11665	0.9
124.12023	0.2
125.06001	0.2
127.03860	3.8
127.04721	0.3
131.08534	2.0
132.08833	0.2
133.10091	2.2
134.10469	0.2
135.08025	0.8
135.11647	1.3
137.09619	0.3
142.07797	0.2
143.08499	1.1
145.04912	2.6
145.10089	2.4
146.10403	0.3
147.08047	0.3
147.11649	1.3
148.12129	0.2
149.09557	0.3
151.11183	0.3
152.69580	0.2
153.09123	0.2
155.08484	0.2
156.09250	0.2
157.02957	0.2
157.10104	1.0
159.02925	0.3
159.11644	1.5
160.11981	0.5
161.13243	0.8
163.03819	0.2
163.06009	0.7
163.07454	0.2
163.11052	0.2
163.14746	0.7
164.15083	0.2
170.10690	0.3
171.11659	1.1
173.13257	1.1
174.13620	0.3
175.11188	0.3
175.14720	0.3
175.16917	0.9
177.12698	0.2
183.11534	0.4
184.85338	0.2
185.13219	1.0
187.14717	1.6
188.15030	0.3
189.12721	0.3
189.16370	0.7
197.13199	0.2
198.13580	0.2
199.11230	0.2
199.14780	0.4
200.15134	0.2
201.12642	0.2
201.16397	0.9
202.16681	0.3
203.10605	18.4
205.15768	0.2
211.14812	0.2
212.15198	0.3
213.12680	0.2
213.16266	0.4
215.06854	0.2
219.17448	0.3
227.17926	0.3
259.09521	0.4
337.98965	0.2
366.12119	0.2
421.30991	0.8
422.31448	0.9
439.32266	0.4
440.32227	0.8
449.30246	0.3
463.41599	0.2
468.31674	0.4
485.32288	0.3
486.33395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.2
51.02345	0.2
53.00279	0.3
53.03925	1.7
54.26931	0.1
55.01870	1.2
55.02063	0.1
55.05493	1.3
57.03416	3.7
57.06796	0.2
57.07056	3.2
61.02903	2.0
63.04456	0.4
65.03887	0.2
66.98627	0.2
67.05479	1.2
68.99758	0.2
69.03398	5.4
69.07034	1.3
70.04023	0.3
70.07371	0.2
71.04958	0.8
71.08607	3.5
72.48289	0.2
73.02885	6.6
74.48270	0.1
77.03879	0.4
79.05462	2.1
81.03385	2.9
81.07017	8.2
83.04941	0.4
83.08598	0.3
84.13921	0.2
84.42094	0.2
85.02870	11.9
85.06511	0.3
85.18309	0.2
87.00803	1.4
87.04439	0.4
91.03925	0.4
91.05447	1.0
93.07014	3.1
94.07338	0.3
95.04927	4.5
95.08557	1.8
96.08897	0.2
97.02848	6.2
97.06493	0.8
99.04414	1.0
99.08032	0.2
105.03354	100.0
105.06993	2.3
106.03664	0.4
106.07360	0.2
107.08556	2.7
108.08826	0.3
109.02847	2.6
109.06487	0.4
109.10099	1.7
110.10422	0.2
111.04332	0.2
111.08052	0.2
113.13237	0.9
115.03892	2.2
115.49768	0.2
117.01841	0.3
117.06969	1.0
119.08540	2.5
120.08876	0.7
121.10100	1.6
122.10410	0.3
123.08029	0.7
123.11679	0.9
127.03870	3.7
129.06987	0.3
131.08530	1.4
133.04907	0.2
133.10056	1.8
134.10390	0.3
135.07983	0.8
135.11653	0.3
137.09576	0.2
143.08484	0.4
145.04910	2.3
145.10057	2.5
146.10397	0.2
147.11655	1.3
148.12016	0.3
149.09599	0.3
149.13216	0.3
153.09111	0.2
157.10091	0.4
159.02890	1.0
159.08070	0.2
159.11638	1.4
160.11931	0.3
161.09500	0.4
161.13234	0.8
162.15576	0.2
163.03819	0.2
163.05969	0.7
171.11601	0.8
173.13181	1.1
174.13550	0.3
175.11131	0.2
175.14690	0.2
175.16873	1.4
179.14218	0.2
183.11594	0.4
185.13184	0.4
186.13550	0.2
187.14790	0.9
188.15057	0.3
189.12724	0.3
189.16338	0.2
197.13101	0.3
199.14796	0.3
201.16290	0.3
203.10594	18.0
205.15930	0.2
213.16423	0.2
215.14259	0.3
259.09573	0.4
375.61728	0.2
402.86859	0.2
404.30637	0.2
407.34711	0.2
421.30817	0.4
422.31424	0.7
439.32074	0.6
440.32086	0.3
441.29764	0.3
442.30212	0.4
450.30844	0.4
467.31470	0.7
468.31888	0.3
485.32605	0.3
486.32990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.9
55.05488	1.7
57.03436	0.4
57.31501	0.3
65.03897	0.7
67.05470	4.7
68.99755	0.4
69.03392	2.4
69.06688	0.7
69.07043	16.3
78.89357	0.3
79.05459	5.8
81.07005	0.9
83.04943	5.9
84.81586	0.4
85.02861	2.0
88.51199	0.3
89.03876	2.4
90.30585	0.4
91.05459	1.5
93.03357	1.9
93.06993	0.9
95.04903	3.6
95.08525	0.6
97.02826	0.4
97.06490	24.1
105.06957	0.7
107.04892	2.3
111.04399	5.9
117.03326	5.1
119.08530	0.5
121.10107	0.9
123.04338	0.5
129.05400	1.6
134.03577	1.7
135.04370	13.4
135.05394	0.4
137.09561	0.4
139.03839	4.4
145.02795	14.5
147.04358	0.6
147.06456	1.5
153.05450	0.6
157.04915	0.7
159.11674	0.4
161.02249	1.9
161.05876	0.5
162.03143	0.8
163.03841	100.0
173.02226	1.9
173.05949	1.6
177.05478	0.5
193.07062	0.9
213.09077	0.8
215.07025	1.8
215.10583	0.9
217.04898	4.3
217.08453	0.4
231.10167	0.5
235.09633	1.9
236.51479	0.5
241.08438	3.7
253.70778	0.4
259.09552	77.9
260.09915	0.8
277.10526	0.8
333.13367	0.4
367.15952	0.5
377.98123	0.4
385.00250	0.4
409.14816	0.6
433.14789	2.7
451.15723	4.7
500.39789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17555	0.4
51.33906	0.5
51.56426	0.4
52.34666	0.4
53.37587	0.4
55.01843	1.1
57.03402	0.7
57.10831	0.4
60.10381	0.4
65.03891	0.5
67.05473	0.9
69.03405	1.0
69.56686	0.5
72.01923	0.5
83.04945	5.4
85.02876	2.4
90.12817	0.5
93.03366	0.9
95.04915	1.1
97.06452	1.9
105.06978	1.0
111.04398	4.1
115.05417	0.9
117.06974	3.4
119.01059	0.5
119.04922	0.6
119.08533	0.6
121.02814	0.6
123.04376	3.7
128.06183	1.3
129.05423	1.2
129.06946	2.0
131.04861	1.0
133.06441	0.7
136.32564	0.5
137.05873	0.8
139.03874	2.4
141.06931	0.7
143.08508	8.4
145.06450	7.8
147.04385	2.2
149.05939	3.1
151.03769	0.5
153.06923	2.7
157.06418	2.4
157.10114	0.8
159.07970	0.7
160.05110	6.6
160.34982	0.6
161.05925	28.4
163.03818	2.8
163.07483	4.7
165.09087	2.3
167.08485	2.8
169.06378	0.9
169.10130	0.8
171.07968	8.1
173.05916	2.3
174.06659	3.6
175.07483	14.1
176.04573	2.2
177.05379	2.8
181.06407	2.7
185.09471	0.5
187.07480	6.8
189.05376	0.7
189.09032	30.1
191.06956	100.0
192.07294	0.7
193.08533	4.1
195.08035	4.5
197.09593	0.8
199.07446	8.3
201.09048	3.7
203.06926	2.8
205.04776	0.5
205.08583	1.2
207.10097	8.1
213.09021	8.2
215.06932	2.0
215.10602	2.2
217.04970	0.9
217.07077	0.7
217.08559	9.9
229.08395	0.5
230.05641	0.9
231.10036	6.0
233.08043	3.7
235.09579	14.7
241.08423	2.9
247.09520	1.2
259.09558	9.6
277.10580	24.7
385.07205	0.6
436.45218	0.5
451.10132	0.5
451.15948	12.6
469.16852	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	485.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80946	1.3
65.31843	1.7
71.58304	1.4
97.59723	1.5
117.06944	1.6
118.98816	1.7
183.04588	1.8
210.22076	2.0
255.23659	1.9
258.36969	1.9
485.35852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03578	0.4
55.01844	1.0
55.05491	0.9
57.03401	1.1
59.78595	0.4
59.93499	0.4
60.06581	0.5
63.03890	0.5
64.96345	0.5
65.03925	0.9
66.98810	0.4
67.05470	2.4
69.03395	1.9
75.27169	0.4
76.55042	0.5
77.57461	0.5
78.16898	0.5
81.07005	0.7
83.04951	4.4
85.02873	1.1
91.05437	1.2
93.03381	0.9
95.04897	0.8
105.06915	0.7
111.04381	5.9
115.05405	2.7
117.06960	2.9
119.08530	0.8
123.04385	4.4
128.06154	2.7
129.05406	1.2
129.06964	2.3
131.04857	2.2
133.06427	1.1
137.05942	1.2
139.03835	2.3
143.08510	7.4
145.06456	6.1
147.04358	2.5
147.07970	1.0
149.05905	2.9
153.06960	2.2
157.06421	2.4
157.09991	0.7
159.08014	0.9
160.05119	6.9
161.05917	26.4
161.09563	0.7
163.03824	2.6
163.07498	5.3
165.09041	2.8
167.08485	3.2
169.06383	1.1
169.10054	0.8
171.07977	6.1
173.05934	3.9
173.09557	0.8
174.06711	3.8
175.07484	15.5
176.04684	2.5
177.05386	2.3
177.09052	0.6
181.06398	3.1
185.09520	1.1
187.07480	8.5
189.05380	3.2
189.09033	26.1
191.06958	100.0
191.10605	2.8
193.05000	1.0
193.08514	3.3
195.07936	5.0
197.09528	1.2
198.06836	0.8
199.07469	9.2
200.08150	0.8
201.09030	5.7
202.06146	0.7
203.06940	3.9
203.10591	1.3
205.04858	0.6
205.08549	2.4
207.10146	7.1
213.09007	12.0
215.06924	2.3
215.10577	2.5
217.05009	0.9
217.06755	0.8
217.08562	14.7
218.05370	0.9
223.07472	0.6
229.08517	0.9
230.05670	2.4
231.06400	0.9
231.10080	7.7
233.08003	2.4
235.05876	0.7
235.09561	14.8
241.08530	3.7
247.09619	2.3
259.09570	12.6
277.10608	38.7
278.10617	0.7
451.15781	12.3
469.16891	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	485.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52522	1.3
53.03935	1.9
55.05487	19.0
57.03404	2.8
57.07048	2.4
61.02908	1.8
67.05478	23.4
69.03406	9.6
69.07044	22.0
71.04967	7.5
79.05473	22.4
81.03394	7.2
81.07025	47.6
83.04951	3.4
83.08594	4.2
85.02859	11.1
85.06518	3.1
87.00781	1.9
91.05451	27.7
93.07009	45.6
95.04920	6.7
95.08566	49.1
97.02834	2.5
97.06479	10.2
97.10143	1.9
99.08073	2.1
100.58370	1.8
105.06992	84.9
105.50550	1.6
107.04846	1.7
107.08556	55.2
109.06487	9.9
109.10117	40.1
111.08044	2.7
115.05436	2.6
117.06942	16.8
119.08537	100.0
121.06477	6.4
121.10098	44.1
123.08023	10.1
123.11609	14.8
125.09593	2.8
127.11098	2.1
129.06949	11.1
130.07753	3.1
131.08514	38.6
131.09453	2.2
133.10088	56.0
135.08028	9.8
135.11653	22.5
137.09547	3.3
141.06972	2.8
142.07722	7.6
143.08519	27.9
144.09293	4.1
145.10074	78.0
146.10762	1.6
147.08044	3.5
147.11639	62.7
149.09595	4.1
149.13231	10.4
151.11151	4.2
155.08514	8.9
156.09354	8.9
157.10080	42.3
158.10719	2.5
159.11639	60.2
161.09589	7.8
161.13182	24.6
163.11165	12.0
163.14809	10.2
165.05457	2.5
167.08585	2.2
169.10075	9.1
170.10878	9.5
171.11620	25.5
172.12366	1.9
173.13187	38.3
175.11118	7.3
175.14758	21.0
177.12691	7.5
177.16347	6.9
181.10049	7.8
183.11632	20.4
184.12422	2.0
185.13182	36.7
187.14764	43.8
189.12703	4.2
189.16327	12.7
191.14180	13.8
195.11761	3.3
195.13867	2.1
197.13182	13.4
199.14731	32.1
201.12730	11.8
201.16324	29.0
203.14319	13.0
203.17831	2.9
205.15820	14.0
209.13177	3.5
211.14763	4.2
213.12502	2.2
213.16321	11.7
215.14320	7.0
215.17934	3.8
217.15886	9.2
219.17410	8.3
223.14850	3.2
225.16299	3.1
227.17879	2.3
229.15735	2.7
231.17314	3.3
239.17917	3.0
243.17424	2.2
253.19376	3.0
265.19272	2.6
269.19254	2.0
283.20444	9.5
301.21490	3.4
403.29819	9.1
406.05688	1.8
421.30899	19.4
423.32553	2.6
437.30301	2.2
439.31946	31.7
441.29630	8.4
449.30038	12.5
467.31195	11.2
485.32135	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	485.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.9
54.80545	2.9
55.05482	18.2
57.07040	3.9
58.35341	2.7
67.05477	6.2
69.07034	13.3
79.05457	25.0
81.07028	51.5
83.04950	22.6
83.08592	3.3
83.98489	2.5
85.06490	4.0
91.05444	27.9
93.07011	53.4
94.94849	2.5
95.04926	6.7
95.08567	60.8
95.11348	2.6
97.06485	4.6
105.06994	82.1
107.07868	5.3
107.08554	75.0
109.06458	6.5
109.10136	26.9
111.04435	4.8
117.06961	13.5
119.08538	100.0
121.06438	3.6
121.10110	32.1
123.07995	3.8
123.11629	6.0
125.09585	4.8
129.06935	12.7
131.08511	52.7
133.10083	47.6
135.08012	3.7
135.11650	11.6
142.07744	12.8
143.08537	35.5
145.10080	81.0
147.11647	27.5
149.13243	5.6
155.08476	11.5
156.09297	5.3
157.10088	51.5
158.10826	5.0
159.11650	54.3
161.13191	18.0
163.07446	4.1
163.11148	2.8
163.14799	10.1
168.09319	3.2
169.10052	14.2
170.10854	14.3
171.11600	26.1
172.12276	3.3
173.13211	50.6
175.14757	26.0
177.16301	4.5
181.10065	3.0
182.10776	4.1
182.32910	2.8
183.11638	24.9
184.12401	4.7
185.13188	26.9
187.14789	39.9
189.16351	5.3
191.14250	23.3
195.11635	5.2
197.13197	15.1
199.14746	31.0
201.12669	23.0
201.16235	28.0
203.14200	12.3
205.12148	3.2
205.15816	13.4
209.13228	5.6
211.14914	5.6
213.16322	11.6
215.14375	3.4
217.15703	5.1
221.13271	3.5
221.15315	6.3
223.14725	3.5
245.15195	3.7
247.13182	4.8
385.28671	3.9
391.97330	3.3
403.29828	14.5
405.31488	4.6
421.30807	13.1
431.29483	5.9
439.31924	4.7
449.30569	25.2
467.31284	16.6
485.32272	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	485.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	14.4
57.07053	3.5
57.15334	1.6
64.83846	1.8
67.05468	16.4
67.64429	2.1
69.03387	2.8
69.07047	14.6
79.05463	14.8
80.63022	2.0
81.07027	29.8
83.01888	1.8
83.08575	2.3
85.06528	1.9
91.05434	17.8
93.07003	44.9
95.04922	2.5
95.08562	50.7
97.06495	7.7
104.76880	2.1
105.06997	62.6
107.08554	49.8
109.06454	8.5
109.10107	22.6
111.08030	8.0
117.07005	13.8
119.08531	100.0
121.06493	2.8
121.10098	32.5
121.89243	1.9
123.08048	3.7
123.11643	8.1
129.07007	6.7
130.07799	2.4
131.08521	39.9
133.10083	42.2
135.08034	4.7
135.11653	14.8
137.09595	4.9
142.07715	9.0
143.08502	26.0
144.09340	3.1
144.58931	2.1
145.10074	76.0
147.07991	7.6
147.11635	27.2
149.09589	3.6
149.13188	9.1
155.08519	4.2
156.09280	10.1
157.10054	50.6
158.10796	4.5
159.11649	51.0
161.09535	11.0
161.13184	17.3
163.07428	3.7
163.11111	4.2
163.14760	3.2
169.10056	10.1
170.10880	4.7
171.11624	26.8
172.12566	2.2
173.13208	43.6
175.11142	4.0
175.14757	19.0
177.12704	4.7
177.16402	2.4
183.11635	11.9
184.12411	2.4
185.13222	26.5
187.14725	36.4
189.16333	11.7
191.14238	17.0
197.13216	9.6
199.14772	39.6
201.12633	2.6
201.16330	25.8
203.14250	14.3
205.15862	8.8
209.13264	2.6
211.14757	4.6
213.16339	12.6
215.14236	3.8
217.15820	3.3
221.15361	15.5
223.14798	2.2
227.14287	2.3
227.17868	2.9
231.17368	1.8
233.15343	3.4
235.16882	2.4
239.16229	3.7
245.15204	4.5
403.29752	3.9
405.31219	3.4
421.30951	8.4
439.31796	5.0
441.33850	3.2
449.29941	3.5
467.31531	22.1
485.32086	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	485.3251
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
50.98000	1.2
55.05487	11.0
57.07063	2.1
67.05479	13.7
69.03408	3.5
69.07039	9.8
69.14452	1.3
71.04968	1.7
79.05469	21.5
79.08747	1.5
80.32553	1.3
81.03375	9.8
81.07024	23.2
83.04951	7.9
83.08586	3.6
85.02888	2.3
91.05450	20.4
93.07012	35.0
95.04934	9.6
95.08570	38.3
99.08041	15.6
105.06994	45.4
107.08563	100.0
109.06482	7.3
109.10123	13.2
111.08030	2.0
117.06976	9.6
119.08541	97.5
121.06482	3.3
121.10094	25.2
123.08026	42.9
123.11662	3.9
129.06972	6.0
131.08531	40.2
133.09084	2.3
133.10085	61.1
135.08006	8.3
135.11655	17.7
137.09587	3.2
142.07726	1.9
143.08510	18.3
144.09331	1.7
145.10077	64.5
146.91901	1.8
147.08017	2.3
147.11646	23.4
149.09572	3.1
149.13229	5.9
151.07437	2.0
155.08415	1.8
156.09326	2.5
157.10097	18.5
159.07990	3.0
159.11641	29.4
161.09563	10.9
161.13179	32.3
163.11072	3.3
163.14764	7.5
169.10080	9.1
170.10924	1.7
171.11600	17.8
172.12325	1.9
173.09567	9.9
173.13177	24.8
175.11153	4.0
175.14717	12.2
177.12634	3.9
177.16344	3.7
179.14276	8.7
181.61736	1.8
182.10710	2.1
183.11606	8.7
185.13173	15.2
187.11107	3.1
187.14755	56.1
189.12682	10.9
189.16356	6.5
191.10686	1.6
191.14157	3.2
193.12138	3.0
195.11591	3.2
197.13228	8.2
199.11111	3.0
199.14792	14.7
201.12688	4.0
201.16324	16.6
203.14275	6.1
205.12372	1.7
205.15819	3.9
209.13208	3.4
211.14732	6.9
213.16301	12.5
215.14262	11.4
215.17921	3.0
217.15807	2.9
227.17789	2.2
229.15755	3.7
233.15288	2.8
237.16264	2.6
241.15704	3.3
241.19418	3.7
243.17375	2.3
251.17883	2.3
253.15738	1.6
253.19347	2.9
259.16882	7.7
264.18320	2.0
271.71112	1.8
281.19016	2.2
305.21921	1.9
321.25659	2.1
323.23569	2.8
329.87640	1.7
349.25125	2.7
351.23264	2.0
367.25970	11.9
393.31528	2.5
395.29263	9.0
403.29752	8.7
421.30893	74.1
439.31918	79.4
441.29782	56.3
449.30249	6.1
467.31177	9.5
485.32477	13.6
509.53076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3252
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
52.80584	1.5
55.05490	8.9
57.07058	1.8
60.36939	1.2
61.17506	1.4
67.05466	6.8
67.43854	1.4
69.07031	10.4
79.05471	20.5
81.07030	20.1
81.26938	1.3
83.08573	2.7
91.05449	18.0
91.38370	1.6
92.08603	2.6
93.07016	23.0
95.04952	2.1
95.08575	30.4
99.08033	7.3
105.06999	36.9
107.08560	100.0
109.06534	2.5
109.10143	11.6
110.10876	1.9
115.05348	1.8
117.06982	5.9
119.08547	67.1
121.10119	16.3
131.08524	24.3
133.06499	1.9
133.10083	43.4
135.08028	1.7
135.11644	7.2
142.07745	1.8
143.08505	16.1
145.10088	38.9
147.11647	21.9
149.13202	3.7
155.08475	3.6
156.09279	2.7
157.10124	13.7
159.11650	21.3
161.13216	24.7
163.14784	2.3
169.10031	6.4
170.10847	3.1
171.11604	11.7
173.09636	1.8
173.13167	17.8
175.14745	8.4
179.14255	11.1
183.11646	9.1
183.28827	1.5
185.13193	15.3
187.14754	32.0
189.16344	5.8
191.14278	3.5
195.11617	2.7
197.13231	3.5
199.14774	14.7
201.16322	7.6
203.14337	5.5
205.15880	1.8
209.13257	1.8
211.14752	7.7
213.16289	9.2
217.15814	2.4
221.12982	1.5
223.14668	2.3
225.16235	3.3
227.14284	2.2
227.17853	2.3
229.19312	1.6
231.17107	1.8
233.85884	1.7
253.19417	1.7
259.16800	2.4
293.18692	1.5
321.25647	1.8
349.25110	2.5
367.26205	10.6
403.29617	6.4
405.17349	1.6
405.31226	1.9
421.25412	2.6
421.30838	47.4
437.10928	1.7
438.98730	1.7
439.31885	42.1
449.30246	8.3
453.96405	1.5
467.31647	10.3
484.34680	2.5
485.33530	3.0
503.27466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.325
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
52.51189	2.2
55.05492	11.5
65.24843	2.3
65.63857	2.1
66.15045	2.2
67.05469	19.9
68.15737	2.3
69.07043	18.3
70.18011	2.3
70.93957	2.4
79.05466	16.2
81.07020	37.4
85.02828	2.9
86.45397	2.3
91.05421	19.1
93.07005	40.9
95.04924	4.7
95.08569	71.1
97.06499	5.0
99.04432	2.9
105.06991	83.3
107.08553	71.8
108.75561	2.6
109.06468	6.2
109.10113	36.3
111.04382	3.6
111.08037	3.5
113.05982	3.3
117.06176	2.7
117.06988	11.5
119.08522	100.0
121.06451	22.0
121.10110	56.5
123.08011	12.0
123.11655	11.2
131.08517	60.1
133.06476	4.2
133.10081	64.8
135.08025	21.9
135.11636	26.8
137.05969	3.6
137.09540	3.4
143.08476	20.4
145.06435	4.0
145.10063	84.0
147.08020	25.4
147.11630	48.0
149.09627	3.1
149.13214	12.9
151.07526	5.5
156.09338	4.9
157.10088	18.8
158.10934	3.6
159.07945	3.7
159.11624	63.9
159.45772	3.2
161.09576	17.9
161.13187	77.4
163.11098	18.9
163.14754	23.9
169.10112	3.7
171.11649	17.5
173.09535	6.3
173.13199	34.4
175.11111	12.8
175.14719	37.3
177.12709	3.2
177.16367	14.0
183.11668	4.7
185.13210	19.8
187.14734	85.7
189.12668	62.0
189.16264	26.4
191.14278	24.8
191.16357	2.8
191.17900	29.0
191.19426	2.8
195.11702	4.1
197.13188	3.2
199.14745	14.4
201.12666	15.2
201.16321	83.4
203.14203	21.5
203.17845	41.5
207.13731	31.1
213.12402	2.8
213.16312	4.9
215.14328	15.2
215.17671	3.2
219.13718	15.1
221.15311	3.7
223.14810	2.7
229.15907	3.2
233.15344	6.5
237.14636	10.3
245.15198	4.0
247.16920	4.1
253.19504	3.1
328.95062	3.0
403.29865	6.0
405.97946	2.6
421.30887	24.0
439.31870	21.7
441.33463	21.0
449.30368	4.5
467.31165	10.7
485.32129	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27988	1.4
52.92900	1.2
55.05484	9.3
57.03411	11.7
57.07061	51.3
60.53568	1.4
67.05488	12.2
67.26393	1.5
69.07030	4.0
71.08601	29.7
79.05470	3.1
81.07034	18.3
83.08574	6.9
85.10169	14.5
89.05997	1.7
93.07011	2.5
95.08562	20.1
97.10113	3.5
98.98420	39.5
107.08551	3.6
109.06463	1.7
109.10131	11.4
114.01348	1.6
116.77327	1.7
119.08540	2.6
123.11652	3.2
133.10089	2.2
155.00961	14.3
167.68747	1.7
173.01988	2.9
266.05338	1.7
313.27267	100.0
327.07126	1.7
329.68768	1.6
449.26581	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	485.3253
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
55.05500	13.2
57.07060	2.8
57.43336	1.4
67.05473	15.1
69.03396	2.0
69.07065	12.8
69.31171	1.5
74.13702	1.5
77.75445	1.4
79.05489	14.8
81.07035	36.6
83.04971	2.8
83.08608	8.5
85.06510	2.3
89.52686	1.7
91.05440	18.5
93.07015	50.1
95.04934	9.4
95.08574	39.9
97.06496	3.4
97.10142	1.9
98.82574	1.7
99.08070	3.0
102.32700	1.7
105.06993	58.3
107.08559	77.8
109.06485	7.4
109.10127	21.6
111.08046	3.2
116.06163	2.0
117.06978	10.8
119.08540	100.0
121.06488	7.4
121.10098	30.5
121.45844	1.9
123.08044	7.1
123.11646	7.2
125.09511	2.0
128.06142	2.3
129.06963	8.8
130.07768	2.8
131.08530	52.7
131.35481	1.5
133.10085	42.9
135.08040	10.2
135.11618	14.9
137.09607	6.8
141.06920	2.5
142.07782	12.3
143.08502	25.2
144.09319	3.4
145.10088	68.6
147.08009	3.8
147.11652	53.2
149.09630	3.0
149.13211	11.2
151.11194	2.5
155.08528	8.3
156.09286	7.7
157.10068	42.9
158.10898	3.0
159.08073	1.8
159.11630	55.4
161.09612	8.1
161.13203	20.4
163.07492	4.2
163.11133	3.8
163.14827	7.0
169.10095	13.1
170.10828	9.6
171.11598	31.0
172.12424	3.1
173.13193	50.1
175.11116	3.7
175.14708	16.1
177.16373	2.9
181.10094	2.6
182.10889	6.9
183.11659	21.6
184.12491	2.2
185.13197	26.0
187.14769	36.8
189.12750	3.1
189.16353	9.1
191.14220	15.6
193.09950	2.3
195.11661	3.6
197.13185	15.3
199.14760	50.0
201.12677	12.9
201.16319	18.0
203.14281	13.1
205.15918	2.4
209.13121	2.9
211.14769	7.1
213.16283	19.3
215.14241	2.3
215.17812	2.2
217.15764	7.6
221.15228	13.9
223.14845	2.3
225.16180	2.2
233.15237	2.3
237.16364	2.9
245.15175	2.7
251.17937	2.6
253.19408	6.7
259.16925	2.1
265.19376	1.7
267.21002	2.5
271.20416	2.4
273.18539	1.8
299.19928	33.4
367.26233	40.5
375.84149	2.0
401.95059	1.8
403.29877	8.9
405.30960	2.6
421.30786	24.8
439.31906	90.3
449.30197	9.0
467.31479	13.2
485.32410	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	485.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80745	0.4
64.30695	0.3
64.93958	0.4
66.30876	0.4
70.06562	98.3
85.02860	0.4
98.06029	0.6
103.05415	1.8
107.04939	0.6
112.07561	100.0
113.07875	0.5
116.07047	27.6
119.04875	0.5
120.08054	26.6
123.86774	0.4
124.03897	1.0
131.04912	0.7
139.03838	0.7
140.07024	12.6
140.36195	0.4
147.04359	2.1
158.08064	90.8
166.08551	5.5
261.16470	0.5
389.13568	0.5
431.40561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	0.4
58.81762	0.3
64.32027	0.4
65.28020	0.4
69.03387	2.0
69.17239	0.3
81.03371	0.7
85.02881	2.4
90.19209	0.4
98.97549	2.1
101.00887	3.3
111.02022	0.5
114.05405	0.4
116.98539	0.7
119.01877	11.8
119.02647	0.7
127.03893	0.5
129.03008	0.7
133.03436	0.7
137.02893	1.6
138.96330	0.8
139.02303	0.4
142.08134	0.4
143.00131	0.4
143.01859	1.7
145.01608	0.5
145.03445	3.7
145.04500	0.3
155.01730	0.4
156.03485	0.4
156.97414	13.3
157.03426	10.5
161.02910	2.5
163.03775	0.5
163.04521	0.4
167.06966	0.5
174.98476	19.9
175.04475	4.7
180.97397	4.1
181.05508	0.5
183.74725	0.4
194.98975	5.0
198.98476	43.3
201.05168	0.5
205.05559	2.2
210.98505	1.8
213.00031	40.9
214.00159	0.6
216.99539	13.5
221.03174	0.8
223.06609	5.5
224.39166	0.5
224.99977	4.0
227.01637	0.6
228.99545	0.6
231.01093	6.7
239.04335	2.8
241.07578	1.6
243.01114	0.6
257.05237	0.5
265.07477	0.8
272.59991	0.4
279.09363	0.5
282.07816	2.0
285.02121	6.6
303.03156	100.0
304.03314	1.7
305.02969	0.7
321.04202	66.6
322.04477	0.9
344.05661	0.6
387.13373	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	485.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17609	0.4
69.03397	0.8
81.03380	0.5
101.00854	2.7
114.20409	0.5
119.01876	12.2
127.02337	0.6
133.03329	0.5
134.50560	0.4
137.02919	0.6
138.96359	0.7
139.02382	0.5
143.01927	0.7
145.03432	4.4
156.97430	13.5
157.03412	9.7
161.02936	2.0
163.04463	1.7
174.98462	21.8
175.04448	5.7
180.97412	3.2
181.05553	0.5
194.98996	4.3
198.98465	44.0
205.05466	2.6
210.98495	1.0
211.20094	0.5
213.00024	37.0
214.00290	0.5
216.99516	13.0
223.06560	5.0
224.99983	3.7
228.99493	0.6
231.01064	6.7
237.00035	0.6
241.07637	2.0
243.01244	0.6
248.99910	0.4
255.01143	0.4
279.09338	0.4
285.02103	5.4
303.03146	100.0
304.03439	1.5
321.04199	69.1
344.05878	0.8
352.44891	0.5
353.05862	0.5
358.57858	0.4
371.08798	0.4
387.13263	7.4
391.55869	0.4
433.28085	0.4
485.11862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4713
Annotation	Cer(d18:0/12:0)
Peak:m/z	Relative Intensity
51.57088	1.6
55.05485	13.5
55.80831	1.8
57.07037	9.2
58.06551	2.2
59.14759	2.2
63.60948	1.7
67.05495	13.9
69.07038	12.5
70.06548	9.3
70.81776	1.8
71.08602	2.3
71.86691	1.9
72.69168	1.8
81.07006	20.1
81.93402	1.7
83.08585	3.3
95.08567	19.5
101.34962	1.9
102.09153	2.5
109.10133	11.0
117.37621	1.8
134.34819	2.0
142.46603	2.0
210.22102	100.0
228.21223	2.2
228.23094	16.1
256.26212	31.5
448.44971	16.3
466.45966	47.2
484.46771	4.8
485.35870	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	484.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.3
56.05808	1.9
57.03417	2.8
57.06791	2.6
57.07060	51.8
57.18560	1.8
57.78922	1.3
67.05479	6.0
69.07045	12.1
70.07368	2.2
71.08604	32.8
73.06531	3.6
79.05471	2.0
81.07024	8.9
83.08576	11.4
85.10162	29.8
87.04427	3.0
89.06001	100.0
92.09401	5.6
93.07000	3.8
95.08588	18.1
97.10155	3.2
98.10502	1.7
98.98441	1.6
105.06995	3.0
107.06997	3.7
107.08569	11.0
109.10132	13.0
119.08553	2.0
121.10104	6.9
133.08580	29.7
133.10074	5.4
135.11668	3.4
135.28728	1.6
141.16333	2.2
147.11676	2.8
153.63226	1.4
161.13083	1.4
177.11172	13.4
185.18930	2.6
187.14627	1.7
189.16351	2.7
191.17819	3.3
229.21611	8.2
251.63922	1.6
255.82986	1.7
273.24191	3.4
275.29080	1.5
300.89603	2.1
311.25693	2.2
312.26056	11.3
327.19958	9.2
333.98633	1.6
419.67465	1.6
425.37357	2.4
467.35605	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	484.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34332	1.3
55.01852	11.0
55.05487	9.7
57.03413	33.5
57.07047	9.9
57.55366	1.4
59.04973	4.0
59.32180	1.4
61.02900	21.2
63.63675	1.6
67.05475	16.0
69.03400	49.2
69.07035	19.7
70.06567	2.9
71.01324	3.2
71.04958	7.9
73.02884	84.8
79.05463	3.7
81.03386	11.0
81.07019	87.4
83.04935	2.2
83.08601	7.2
85.02874	100.0
85.06517	34.7
87.04431	10.2
88.39733	1.4
91.05434	4.0
93.07024	12.7
94.90195	1.7
95.04926	2.3
95.08569	69.2
97.02847	57.7
97.06532	2.6
97.10089	3.3
99.04412	4.3
99.08074	6.8
103.03906	4.1
103.32609	1.7
105.07012	4.3
107.04896	2.0
107.08537	12.7
109.02832	8.0
109.10122	8.6
111.04437	1.9
111.08010	2.2
111.11688	8.4
112.07553	3.7
115.03908	27.6
117.06986	2.0
119.08535	3.6
121.10073	3.6
123.04361	3.2
123.08070	2.7
123.11587	2.9
127.03860	28.7
131.08449	3.0
133.04915	20.5
133.06421	1.8
135.11713	2.4
137.12177	3.3
137.13202	60.1
145.04910	20.2
147.11661	3.1
149.13255	3.7
155.14275	18.8
157.10103	1.8
159.07990	1.9
161.05870	3.6
163.03802	2.8
163.05954	6.9
165.12624	2.7
169.06293	2.2
173.05843	2.1
173.15271	7.5
187.07466	6.9
188.07802	4.0
214.09442	1.9
215.06975	8.5
216.07359	4.0
219.62819	1.9
223.05894	2.8
224.07838	2.4
233.15121	2.1
239.16364	9.4
241.06883	2.6
242.08752	3.6
248.38283	2.2
251.16319	4.2
259.07840	4.7
269.17203	2.6
287.18558	3.1
295.10168	3.9
317.19476	3.6
469.13089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	4.3
55.53900	1.4
57.03411	2.9
60.42368	1.6
67.05479	15.0
69.03409	12.7
69.07040	7.2
70.60634	1.7
71.04963	11.0
73.02876	2.2
79.05461	26.0
81.03378	3.5
81.07018	23.8
83.04926	2.4
85.02881	10.3
85.06516	11.3
86.11904	1.8
91.05437	14.8
93.07008	45.3
95.04928	6.3
95.08575	54.8
97.02837	3.7
97.06491	11.3
105.07009	21.7
107.04956	2.4
107.08558	21.6
109.06500	8.3
109.10126	2.9
111.08042	3.6
113.09681	2.6
115.05413	3.2
115.66375	1.7
117.06966	3.8
119.08529	28.0
121.06458	14.6
121.10111	32.1
123.08036	33.6
125.09652	1.7
127.03902	1.9
128.06221	3.1
131.08548	26.0
133.06448	2.6
133.10065	30.1
134.15282	1.8
135.08011	86.7
137.09566	15.9
142.07727	3.1
143.08569	10.4
145.06354	5.6
145.10091	12.0
146.07217	2.1
147.08031	9.6
147.11649	7.5
149.09576	3.9
151.07472	13.8
155.08496	3.4
157.10057	13.7
158.10857	7.6
159.07979	26.4
159.11644	42.3
161.09531	22.0
161.13170	2.7
163.03856	3.6
165.09122	2.0
167.10674	3.4
168.09299	3.3
170.10742	2.1
171.07990	3.4
171.11638	7.4
172.08748	7.7
173.02287	7.2
173.09570	14.3
173.13206	35.2
175.07523	2.2
175.11107	8.1
177.09009	3.2
179.06990	3.0
181.08531	2.8
181.09981	2.7
183.11609	10.8
185.09579	13.6
185.13187	3.9
186.10303	2.8
187.11104	11.2
189.12790	5.9
193.10091	2.5
196.08763	2.0
197.13104	1.9
199.11136	8.9
199.14751	3.6
201.12675	44.5
203.10590	2.7
211.11253	14.0
213.16447	4.3
215.07001	10.0
217.12245	4.4
217.15793	3.4
219.13713	3.0
223.14668	2.0
227.14297	7.4
229.12166	11.1
241.15782	21.2
245.15367	3.9
247.13182	10.7
251.14252	4.5
259.09625	2.6
259.16922	15.9
269.15210	19.8
274.11502	3.7
287.16217	23.9
305.13892	3.8
305.17377	100.0
329.91617	2.2
388.28540	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.6
54.11835	0.4
55.01853	1.1
55.05481	3.8
57.03427	6.0
57.07062	0.6
59.04971	0.5
61.02905	0.8
67.05476	2.5
69.03405	13.3
69.07044	1.3
71.04954	2.7
75.04444	5.4
79.05464	20.7
81.03383	12.2
81.07022	8.0
83.04939	1.2
85.02880	7.4
87.04433	0.9
88.08392	0.6
90.61723	0.5
91.05437	14.8
93.07006	100.0
95.04951	6.0
95.08571	6.5
97.02835	8.1
97.06490	2.9
99.04410	2.5
103.05407	0.8
105.04482	0.7
105.06992	14.0
107.04935	0.6
107.07883	0.9
107.08558	17.2
109.02860	5.3
109.06493	0.9
109.10120	2.2
111.04417	0.6
111.08035	6.7
115.03878	0.7
116.06149	0.7
117.06934	0.6
119.08541	14.1
121.02841	2.2
121.06471	2.3
121.10098	86.4
123.08024	2.6
123.11687	1.0
125.05924	0.7
125.43488	0.6
127.03850	3.4
129.06966	0.9
131.08505	8.1
133.10080	2.6
135.08003	2.2
139.11110	2.4
143.08501	1.1
145.05014	1.2
145.10083	2.7
147.08044	2.0
149.09583	18.2
157.10095	1.2
159.08051	0.7
159.11659	2.3
161.09589	1.1
167.10599	14.9
169.09978	0.7
173.13177	1.3
183.11664	0.7
201.12558	0.9
238.64981	0.6
275.12497	0.9
293.13721	6.1
305.17206	1.1
311.14786	14.8
329.11267	1.2
329.15781	1.0
376.78586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59837	1.3
58.28609	1.4
59.27195	1.4
61.52315	1.5
62.29264	1.8
62.39782	1.4
76.54927	1.8
80.91843	1.8
84.24725	1.7
89.05997	19.5
92.62341	1.8
121.48067	1.8
133.08575	4.0
145.79388	1.7
153.66837	1.5
163.84711	1.6
164.43578	1.9
244.17453	2.0
254.24603	2.1
283.17477	8.8
284.17575	2.8
293.97241	1.9
483.31177	4.0
483.37970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29152	2.0
52.95675	1.4
57.07035	1.7
73.77866	1.9
89.06004	16.0
95.08630	2.2
97.85860	2.1
110.95548	1.7
133.08557	3.7
165.16406	1.9
175.46611	1.8
244.89917	1.9
283.17615	8.1
284.17783	4.0
380.09546	1.8
392.30685	2.0
483.38046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64186	1.4
52.96803	1.3
55.05489	7.0
57.07055	1.6
67.05489	12.6
69.07047	9.3
71.04942	2.3
79.05466	10.3
81.03403	3.2
81.07037	20.9
83.04939	6.5
85.06538	2.0
91.05448	21.4
93.07004	30.8
95.04944	3.5
95.08572	35.6
97.06521	7.9
105.06999	42.7
107.08563	45.2
107.38405	1.5
109.06504	4.0
109.10120	10.6
111.08064	2.3
117.07008	13.3
119.08546	100.0
121.06452	3.8
121.10124	19.7
123.08014	18.4
123.11656	2.7
124.65074	1.5
125.05910	2.0
128.06215	3.4
129.06960	3.7
130.07762	2.1
131.08527	33.1
133.10091	34.4
135.08047	8.6
135.11664	6.9
142.07730	7.8
143.08502	26.5
144.09363	2.1
145.10086	87.3
147.07971	2.6
147.11629	19.3
149.09598	3.9
149.13217	7.0
153.69354	1.8
155.08508	6.7
156.09340	10.6
157.10077	27.5
158.10872	2.9
159.08032	3.2
159.11642	61.0
161.09601	12.0
161.13194	23.2
163.07526	10.9
163.11150	2.9
163.14745	3.2
169.10103	8.6
170.10883	13.4
171.11635	24.4
172.12422	3.7
173.09622	6.0
173.13196	35.2
175.11203	3.9
175.14714	14.6
177.12752	8.6
181.10066	2.3
182.10889	2.3
183.11685	12.5
185.13200	27.2
187.11182	3.5
187.14777	40.5
189.12669	11.0
189.16333	8.5
191.14351	2.7
193.10233	1.9
195.11719	3.2
197.13240	6.2
199.14751	18.7
201.16370	9.3
203.14305	10.2
203.26369	2.2
205.15791	3.1
209.13155	2.3
211.14833	6.4
213.12759	3.2
213.16325	4.1
215.14259	9.6
217.15988	2.6
219.13768	2.9
223.14799	2.8
225.16373	3.4
227.14302	2.4
229.15892	3.1
231.13757	2.7
231.17509	2.0
233.15253	5.9
235.14828	2.4
235.35521	1.8
259.16766	2.6
391.29773	2.3
401.28262	7.4
403.29749	7.9
419.29230	22.9
429.27545	2.9
437.30289	27.3
439.28186	18.3
447.28625	10.4
465.29861	28.8
483.30820	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	483.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52303	0.4
53.64458	0.4
53.96957	0.3
64.33009	0.4
67.05504	0.4
68.11838	0.4
69.07030	0.8
79.05435	0.5
79.56444	0.4
81.07003	0.5
93.06995	0.8
95.08559	0.7
105.06979	0.9
107.08588	0.6
109.06505	0.5
110.17411	0.4
119.08552	1.0
121.10100	0.9
128.25777	0.5
131.08577	0.7
133.10147	0.8
145.10075	0.8
147.11612	0.5
159.11635	0.9
179.97031	0.5
185.13258	0.4
187.14725	0.6
274.52567	0.5
429.77249	0.6
437.30399	0.8
483.34305	100.0
484.34335	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08378	2.1
55.05492	6.3
57.07010	3.0
61.57499	2.3
65.75317	2.7
67.05470	15.4
69.07039	15.0
79.05453	13.6
81.07020	29.2
83.08571	3.6
87.82871	2.5
91.04957	2.7
91.05438	24.1
93.07011	35.1
95.04932	4.6
95.08570	44.8
97.06493	11.5
99.04425	3.3
103.62429	2.4
105.06995	65.4
106.10807	2.5
107.08547	47.0
109.06443	13.4
109.10120	13.6
117.06996	11.5
119.08539	100.0
121.06472	24.4
121.10072	35.0
123.08029	12.2
129.06924	10.8
131.08514	45.2
133.10075	38.5
135.08023	20.2
135.11630	14.8
137.05957	4.2
137.09552	3.7
142.07742	6.8
143.08513	26.0
144.09325	4.7
145.10074	91.0
147.08018	12.1
147.11642	35.3
149.09514	3.2
149.13220	11.9
149.95790	2.7
154.10297	2.9
155.08478	6.1
156.09271	13.0
157.10080	46.3
158.10843	6.2
159.08017	4.8
159.11641	49.0
161.09558	14.9
161.13190	44.8
163.07465	13.2
163.11113	11.2
168.09270	4.0
169.10037	13.4
170.10910	11.5
171.11641	36.0
172.12370	3.5
173.09534	6.6
173.13187	43.0
175.11140	6.2
175.14772	17.4
177.12598	3.7
181.10020	4.5
182.10757	4.6
183.11621	21.7
184.12433	4.0
185.13123	34.0
187.14748	47.2
189.12721	31.9
189.16406	4.9
191.14336	4.0
195.11610	5.0
197.13156	17.1
199.14745	47.0
201.12718	3.9
201.16312	26.5
203.14250	13.7
205.15747	4.0
207.13675	19.4
209.13129	4.3
211.14772	6.0
213.16267	6.8
215.14294	4.1
217.15761	4.3
219.13669	3.3
221.15335	2.9
225.16322	2.9
233.15251	12.8
245.15273	3.5
316.11710	2.9
342.34537	3.1
401.28366	3.9
419.29306	11.4
421.30890	4.3
437.30368	10.3
439.32153	11.1
447.28912	11.0
465.29886	19.0
483.30753	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	483.3096
Annotation	Oncostemonol B
Peak:m/z	Relative Intensity
50.12476	2.9
53.03935	4.4
55.05508	19.9
55.05696	2.0
67.05479	22.2
69.03397	2.8
69.07035	16.7
71.01317	2.5
79.05465	28.7
81.03383	14.4
81.07020	33.9
83.08604	6.0
83.45319	2.9
91.05463	28.3
92.09300	5.8
93.07021	51.1
95.04930	13.8
95.08568	44.5
97.06540	5.3
97.10149	3.2
99.04406	3.5
105.06999	71.1
107.08561	74.4
109.06496	11.4
109.10140	23.3
113.05970	3.8
117.06985	15.7
117.36924	2.7
119.08554	100.0
121.06463	12.5
121.10100	39.6
123.03131	2.8
123.08036	10.1
123.11658	5.2
128.06181	6.8
129.06963	13.1
131.08531	78.7
133.06436	13.4
133.10086	55.1
135.08023	19.7
135.11671	15.7
137.09622	6.5
142.07764	6.5
143.08525	38.4
144.09398	3.0
145.10086	89.0
147.08028	15.4
147.11656	32.6
149.09602	7.0
149.13246	5.7
151.07500	5.9
153.09056	5.6
155.08504	17.3
156.09302	11.0
157.10091	44.5
158.10873	3.6
159.07899	3.2
159.11633	56.2
161.09590	14.6
161.13200	52.3
163.11118	3.5
163.14771	5.1
165.09061	17.2
167.08580	3.4
169.10066	17.4
170.10847	6.4
171.11642	38.8
173.13194	39.3
175.11255	3.1
175.14780	34.5
177.12703	4.7
177.16429	3.2
179.14362	3.4
181.10168	3.8
182.10878	3.6
183.11623	23.9
184.12254	3.8
185.13225	28.5
187.14755	38.1
189.12740	16.0
191.14224	6.5
195.11650	13.4
197.13210	19.0
199.14798	43.4
201.12741	3.9
201.16351	34.9
203.14288	3.1
207.11775	5.9
207.13773	13.4
209.13243	11.6
211.14751	19.4
213.12619	2.9
213.16255	26.3
215.14302	3.9
215.17897	4.4
221.35419	2.7
223.14685	5.5
225.16380	6.5
227.14246	5.2
227.17976	12.9
237.16438	5.2
239.17802	4.1
241.19386	5.7
245.15422	6.7
247.16811	3.1
251.17995	5.2
253.19406	16.6
279.20840	4.2
299.19867	4.3
305.22443	6.5
307.24078	4.0
351.23108	6.0
401.28235	15.7
411.24115	2.8
419.29330	36.3
437.30389	64.1
439.31729	5.5
447.28848	12.6
465.29593	24.3
483.33826	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30669	1.4
54.80727	1.5
54.83151	1.5
55.05482	10.1
55.92999	1.4
56.16476	1.6
57.07033	2.6
67.05482	11.9
67.53564	1.3
69.03398	3.5
69.07034	8.5
70.64452	1.6
71.04941	2.7
79.05453	12.8
80.65964	1.8
81.07019	21.9
82.36122	1.4
83.04948	2.2
83.08589	3.8
85.06507	2.2
91.05439	20.1
93.07005	32.7
95.04915	3.8
95.08564	35.9
97.06450	2.1
99.04432	2.8
102.16747	1.7
105.06982	52.4
107.07883	2.9
107.08556	48.8
108.63800	1.7
109.06486	12.1
109.10104	12.2
111.08054	3.6
113.35606	1.8
115.21767	1.6
115.60233	1.6
117.06956	11.6
119.08537	100.0
121.06484	17.6
121.10097	26.0
123.08006	7.8
123.11642	2.5
124.98553	1.8
128.06123	2.0
129.06956	9.2
130.07722	3.6
131.08517	39.8
133.10091	41.4
135.07991	14.6
135.11655	12.9
137.05948	2.9
141.07002	2.2
142.07732	10.4
143.08517	23.3
144.09276	3.2
145.06348	2.0
145.10077	86.8
147.08028	7.5
147.11639	25.3
149.09586	6.8
149.13246	8.0
149.64613	1.6
149.66185	1.6
151.07552	4.3
155.08502	8.0
156.09293	10.6
157.10066	37.7
158.10880	6.1
159.08037	6.6
159.11623	40.3
161.09555	16.2
161.13199	49.0
163.07474	9.8
163.11156	8.3
163.14769	6.6
164.83430	1.6
165.09050	2.0
169.10054	7.7
170.10854	10.7
171.11629	27.2
173.09554	7.6
173.13190	41.1
175.11093	10.5
175.14772	15.4
177.09024	2.3
182.10869	2.6
183.11646	12.6
185.13185	33.4
187.11145	3.6
187.14740	47.3
189.12668	28.9
189.16333	9.8
191.14253	8.2
195.11600	2.4
196.12514	2.8
197.13176	10.5
199.11339	2.1
199.14737	39.8
201.12685	7.0
201.16359	24.1
203.14261	10.0
207.13744	24.6
209.13216	6.6
211.14709	2.7
213.16309	7.7
215.14178	5.4
217.15865	2.8
219.13788	6.4
229.15814	2.6
233.15231	7.1
245.15274	6.4
247.16835	3.6
253.19644	2.2
253.44289	1.8
394.19949	2.0
401.28293	2.2
403.29935	2.5
407.29196	2.1
409.27145	2.1
419.29245	10.0
421.31064	2.5
437.30194	17.8
439.31702	7.4
447.28680	2.2
465.29642	10.9
483.30292	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	483.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73374	1.9
53.49622	1.9
55.05486	11.9
57.03414	3.2
59.04964	2.4
64.70913	2.1
67.05477	18.4
69.07045	20.1
71.04960	2.9
75.92561	2.1
79.05453	16.6
80.74154	2.2
81.07024	35.0
83.04939	2.4
83.08588	4.8
83.13284	2.2
85.02902	3.8
91.05445	22.9
93.07010	41.3
95.04917	5.0
95.08566	46.1
97.02818	3.2
97.06490	4.5
99.04425	2.4
105.06992	66.8
107.08544	48.3
109.06511	4.8
109.10093	17.5
111.08047	3.5
117.06967	12.4
119.08537	100.0
121.06467	19.2
121.10104	26.3
123.08026	9.4
123.11622	3.3
128.06204	3.8
129.06943	9.4
130.07779	3.4
131.08513	43.1
133.10075	30.2
135.07985	10.7
135.11652	14.7
137.05907	3.8
137.09555	4.6
139.03854	9.9
141.06985	3.2
141.10458	2.2
142.07742	9.6
143.08502	26.0
145.10074	71.8
147.07980	13.5
147.11620	29.4
149.09621	3.4
149.13170	9.6
151.07494	2.6
155.08490	9.6
156.09294	10.8
157.10069	51.4
158.10779	5.9
159.08022	3.9
159.11626	51.5
161.09583	11.0
161.13190	45.9
163.07448	4.8
163.11116	4.8
163.14772	3.9
165.08885	2.6
169.10086	14.7
170.10869	11.6
171.11615	29.7
173.09612	3.2
173.13179	33.8
175.11208	8.8
175.14787	14.1
177.12688	5.4
181.10066	4.2
183.11604	20.3
185.13206	23.5
187.14743	51.4
189.12671	28.6
189.16286	3.7
191.14230	4.6
195.11676	3.9
197.13251	10.9
199.11003	2.5
199.14777	51.9
201.12671	5.7
201.16321	23.6
203.14238	9.3
205.15747	3.0
207.13728	19.2
209.13219	4.8
211.14809	3.2
213.16306	10.6
215.14235	9.5
217.15959	2.7
219.13715	5.6
221.15256	3.0
227.17937	3.0
229.15752	4.3
233.15195	5.2
237.14696	3.9
239.18027	3.1
245.15141	4.2
253.19331	3.3
267.21017	2.6
289.19116	3.0
351.23035	2.6
401.28400	4.0
419.29117	11.9
421.30615	3.1
437.30081	17.9
439.32077	4.4
447.28491	4.8
465.29761	15.4
483.30389	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70434	1.8
52.93120	2.0
55.05494	11.2
57.03420	2.1
57.07069	4.1
67.05479	19.0
69.03399	9.7
69.07037	19.8
71.04961	4.8
79.05457	19.3
81.03412	2.0
81.07028	48.0
83.04953	12.5
83.08576	4.7
85.02874	5.4
85.06503	3.1
87.00813	2.6
91.05440	26.6
93.07005	45.5
95.04942	14.6
95.08573	38.5
97.02869	3.7
97.06503	11.7
98.97516	2.9
99.04427	8.5
99.08038	3.2
105.06996	64.3
107.08545	53.0
109.06462	15.3
109.10112	19.9
111.08035	8.9
113.05914	2.3
115.05427	2.5
117.06985	12.8
119.08541	100.0
121.06483	13.9
121.10095	31.3
123.08032	11.3
123.11648	8.4
129.06932	6.8
130.07703	3.0
131.08519	42.6
131.09375	3.5
133.06421	2.4
133.10094	42.5
135.04373	3.8
135.07994	14.1
135.11612	18.6
137.05945	4.5
137.09563	9.3
142.07704	10.0
143.08516	22.9
144.09320	4.1
145.02751	2.9
145.10085	80.5
146.10832	2.7
147.04416	2.9
147.08017	13.9
147.11661	27.3
149.09575	9.8
149.13219	8.6
151.07509	3.9
155.08542	10.7
156.09288	9.9
157.10086	41.6
158.10886	4.1
159.08049	7.6
159.11636	45.3
161.09593	18.8
161.13196	35.0
163.03864	5.5
163.07466	4.3
163.11166	5.1
163.14807	2.8
167.06999	2.5
167.08510	2.4
169.10068	15.1
170.10890	8.4
171.11617	29.4
173.09508	2.5
173.13202	29.8
175.07361	2.4
175.11179	9.9
175.14784	10.1
177.12715	2.8
181.10045	3.1
183.11644	12.4
184.12524	4.1
185.13202	30.0
187.14743	42.9
189.12692	27.9
189.16241	4.6
190.75304	2.2
191.14275	9.7
195.11647	3.0
197.13213	11.1
199.14764	37.5
201.12711	9.0
201.16333	20.4
203.14336	12.0
207.13779	13.3
209.13184	2.3
211.14836	10.2
213.12630	2.4
213.16350	5.4
215.14244	9.0
215.17838	3.2
217.15886	8.3
223.14836	2.7
227.14220	2.7
229.15837	3.0
231.13748	2.9
233.15204	3.2
239.17726	2.9
245.15265	2.7
249.16396	2.6
321.20612	3.0
419.29272	11.4
437.30515	22.8
439.32205	2.8
447.28763	5.3
465.30060	16.9
483.12494	12.4
483.21606	19.3
483.30872	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	483.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	12.0
57.03431	7.4
57.07015	4.6
57.49618	4.0
61.35870	4.2
65.62321	5.1
67.05491	10.5
69.07033	19.8
73.28076	4.6
76.55474	5.1
79.05449	28.3
80.31751	4.4
81.03374	7.3
81.07023	29.1
83.04943	5.3
85.55908	4.1
91.05442	38.9
91.05941	4.9
93.07010	50.4
95.04926	8.1
95.08566	56.1
105.07004	86.9
107.08567	82.8
109.06479	22.3
109.10119	23.6
117.06990	5.8
119.08538	100.0
121.06461	9.8
121.10113	41.0
123.08065	6.3
128.06097	5.1
128.24811	4.7
129.06931	5.2
130.07817	6.3
131.08533	48.8
133.10104	45.7
135.07986	5.5
135.11630	23.9
136.97427	5.1
137.09544	6.7
143.08539	25.5
145.10068	68.9
147.07999	10.0
147.11644	26.4
149.13254	6.5
153.69147	4.8
156.09370	5.6
157.10118	46.3
159.11647	54.2
161.09546	17.4
161.13211	45.3
163.11150	6.7
165.09091	7.2
169.10027	20.2
171.11595	37.0
173.13223	40.4
175.14778	22.0
177.12617	6.2
183.11665	11.8
185.13182	29.1
187.14758	35.7
189.12680	24.8
189.16411	7.1
197.13242	7.7
199.14783	22.4
201.12726	6.8
201.16335	11.7
203.14203	7.5
207.13739	7.0
211.14606	8.5
213.16373	9.0
215.14157	5.2
221.15361	6.4
296.18112	5.5
319.85962	5.5
419.29309	21.3
421.30887	6.8
437.30069	33.7
452.39145	5.2
465.29602	8.4
483.35052	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	483.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	21.9
57.07050	4.8
62.24326	3.3
65.03918	3.1
67.05488	28.6
69.03394	19.8
69.07038	28.4
70.06535	2.9
71.04959	12.9
72.31317	3.2
73.02884	4.1
79.05468	34.3
81.03392	7.2
81.07016	51.4
83.04954	13.3
83.08614	4.4
85.02874	21.6
91.05450	33.3
93.07009	59.7
95.04921	13.8
95.08568	62.5
97.02863	7.3
97.06496	7.6
97.10132	4.3
99.04411	5.7
105.06998	65.8
107.08563	59.6
109.06459	14.6
109.10126	33.5
111.08025	5.5
113.05966	6.2
113.22701	3.4
117.06992	19.7
119.04853	4.0
119.08532	100.0
121.06465	14.3
121.10094	53.5
123.08044	13.2
123.11652	14.6
125.09603	4.5
127.03841	5.1
129.06984	13.2
131.08519	55.3
132.60867	3.1
133.10086	49.9
135.08011	18.5
135.11650	20.8
137.05971	5.4
137.09657	6.3
139.07416	4.5
141.06923	3.6
142.07759	7.0
143.08504	42.4
144.09242	4.4
145.10077	76.0
147.08052	6.2
147.11586	34.4
149.09608	7.3
149.13307	5.3
151.07498	6.6
151.11198	4.2
155.08499	8.1
156.09334	13.1
157.10063	44.8
158.10831	6.5
159.11642	50.6
161.09619	15.9
161.13202	49.5
163.07578	4.7
163.11139	7.0
165.08990	5.2
169.10107	29.4
170.10837	5.4
171.11607	36.8
173.09457	3.9
173.13181	51.4
175.11140	6.9
175.14809	17.6
177.08897	5.1
177.12756	4.5
181.10022	8.0
183.11589	28.4
184.12352	4.3
185.13217	39.5
187.14755	42.9
189.12666	14.6
191.14244	5.4
193.12195	6.2
193.52301	3.3
194.10912	3.4
195.11649	13.0
195.90915	3.3
197.13248	21.1
199.14806	36.2
201.16360	28.9
203.14288	4.1
207.13733	16.1
209.13167	4.4
211.14738	15.2
212.15158	4.4
213.16321	23.4
215.14191	4.8
215.17848	4.8
217.15965	4.9
219.13795	5.6
221.13234	3.3
223.14755	5.2
225.16319	5.6
227.17830	16.5
239.17894	16.8
239.83981	3.3
241.19440	3.7
244.63113	3.5
245.15268	4.4
251.17950	4.5
253.19438	13.6
307.24078	3.6
317.08331	4.1
391.29910	3.7
419.29501	5.8
421.30606	5.3
429.28381	4.0
437.30322	56.7
439.32504	8.8
447.28647	7.1
465.30075	23.1
483.21689	21.1
483.31503	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	483.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04082	0.6
55.05503	0.8
57.03415	0.7
67.05468	2.5
68.35106	0.7
69.03396	1.1
69.07034	1.4
73.15453	0.6
79.05474	3.2
81.03370	1.0
81.07020	4.1
83.04973	0.9
83.08580	1.0
85.02882	3.0
91.05471	1.1
92.09306	1.3
93.06992	5.3
95.04928	0.7
95.08588	5.1
97.02787	0.9
97.06496	1.3
97.10092	0.7
105.07013	2.9
107.08553	5.1
109.10118	2.9
119.01855	0.9
119.08548	2.9
121.10118	3.4
123.04420	0.8
133.10088	0.9
135.11656	1.6
153.12709	0.8
161.02965	1.4
175.68913	0.7
221.05154	1.3
235.16707	0.9
251.14836	1.5
269.15842	1.0
271.04156	1.1
277.16476	1.0
289.05215	1.2
349.40179	0.7
379.19806	1.2
397.21619	5.9
417.54565	0.7
439.22571	14.5
456.84146	0.7
483.21851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50439	0.6
51.25835	0.5
53.00292	0.9
53.85734	0.5
55.05496	41.7
55.05765	1.5
57.03159	0.9
57.03419	19.1
57.06795	0.9
57.07057	18.8
67.05478	6.0
67.46672	0.6
69.07041	42.7
69.07417	1.5
71.08595	9.2
77.28319	0.6
79.05457	4.0
81.07013	7.2
83.08588	35.5
84.96986	0.6
85.10143	4.1
91.05447	0.7
93.06996	7.4
95.08559	6.5
97.06474	4.0
97.09541	1.1
97.10132	24.5
98.98424	13.4
105.06979	0.7
107.08565	4.1
109.10088	1.5
111.08055	1.3
111.11685	5.2
121.10084	4.4
133.10048	0.8
135.11633	2.9
149.13165	1.0
155.01028	4.9
173.02036	0.7
182.20799	0.6
271.43369	0.6
311.25690	100.0
447.24771	2.6
483.36224	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	483.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.4
53.03910	1.5
55.01857	3.0
55.05497	3.3
57.03419	5.8
57.07047	0.6
59.04968	0.8
60.62823	0.3
61.02896	0.7
62.23864	0.4
65.03912	1.0
67.05485	5.3
69.03395	3.5
69.07040	22.0
71.04971	3.5
79.05460	16.6
81.03382	0.8
81.07026	6.8
83.04517	0.4
83.04951	2.6
85.02869	2.8
85.06512	0.9
87.08076	0.8
89.03910	3.2
91.05447	2.9
93.07007	4.4
95.04917	2.5
95.08558	3.2
97.02832	0.8
97.06492	54.5
105.06994	4.0
107.04901	1.7
107.08574	3.5
109.10134	1.9
111.04410	1.8
111.08057	5.4
112.08814	2.5
117.03358	3.8
117.06989	1.0
117.76572	0.4
119.04912	0.8
119.08521	2.9
121.06460	0.5
121.10102	3.4
123.04404	1.8
123.08027	0.8
123.11630	0.9
125.09565	1.6
128.06165	0.5
129.06969	1.0
129.09059	3.0
131.04886	1.0
131.08502	1.6
133.02794	6.9
133.10066	2.4
135.04366	8.7
135.11526	0.4
136.94057	0.5
138.74968	0.4
139.03844	0.5
141.06978	1.5
143.04858	0.7
143.08488	0.7
143.10579	0.5
144.72588	0.5
145.02814	7.9
145.06459	0.9
145.10077	2.1
147.04379	3.9
147.11661	2.3
149.09526	0.8
149.13200	0.6
151.03850	1.9
153.05394	5.0
154.07712	0.4
156.09343	0.4
157.06453	0.9
157.10080	2.1
159.04330	4.9
159.11642	0.9
161.02266	11.5
162.03055	1.6
163.03845	39.7
167.08495	1.0
169.06400	0.5
169.10049	0.6
173.02274	100.0
173.13202	0.6
175.03844	0.8
175.14706	0.5
177.05418	5.5
179.03404	0.9
183.06493	0.9
185.05913	4.9
187.03799	2.9
187.07483	0.9
187.14592	0.4
189.16281	0.5
191.03320	14.0
195.07964	2.3
197.05893	1.9
199.03847	1.9
199.07489	0.8
199.14668	0.5
201.05499	0.7
213.05327	0.8
213.09074	2.8
215.06956	80.2
216.07317	0.6
217.04951	0.8
223.07487	2.0
233.08040	4.6
241.08501	31.4
259.09552	41.1
267.63623	0.4
273.11099	63.0
285.16556	0.5
288.05823	0.5
289.05872	0.8
291.12164	6.2
303.22919	0.5
321.16449	0.7
482.20505	0.5
483.21509	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31544	0.5
53.03918	0.6
54.81343	0.6
55.01851	4.0
55.05489	3.7
55.59473	0.5
57.03428	6.0
57.07041	1.0
59.04973	1.1
67.05472	4.5
69.03400	4.5
69.07044	25.1
71.04957	4.5
79.05466	19.9
81.07034	9.3
83.04951	4.0
83.08598	0.7
85.02867	2.7
85.06522	2.5
87.04415	0.7
89.03874	1.5
91.05437	3.3
93.06989	4.1
95.04930	3.3
95.08579	3.7
97.06498	60.6
100.11227	1.6
101.79629	0.7
105.06993	4.2
107.04911	2.6
107.08542	3.9
107.94736	0.7
109.06488	0.9
109.10132	1.1
111.04395	2.7
111.08080	7.4
112.08845	2.6
117.03339	3.6
119.04872	0.9
119.08547	5.0
121.10118	3.3
129.06955	0.8
129.09090	3.6
131.04880	1.1
131.08514	3.3
133.02798	7.2
133.10072	2.8
135.04350	8.2
136.52867	0.8
143.08527	1.1
143.10654	1.3
145.02802	7.0
145.10078	4.4
147.04362	3.8
147.11673	1.5
149.05864	0.9
149.09593	1.0
151.03877	1.1
151.11151	0.7
153.05458	1.2
156.13811	0.9
157.06406	1.1
157.10149	0.8
159.04352	5.6
159.11717	0.9
161.02296	12.9
163.03851	40.0
163.05225	1.6
167.08498	1.7
173.02283	100.0
173.13239	0.8
175.03885	1.0
177.05396	7.3
179.03363	1.1
185.05962	5.1
187.03868	3.8
187.07443	1.1
187.14668	0.8
191.03336	13.3
195.08022	2.8
197.05943	1.3
199.03856	2.8
199.07590	0.8
199.14772	0.9
201.05283	1.0
213.09094	2.9
215.06970	74.7
223.07449	2.5
233.08060	4.0
241.08505	30.0
241.10893	1.4
259.09570	45.2
273.11108	57.7
287.05447	3.5
288.05777	4.4
289.05954	3.7
291.12192	7.4
302.62167	0.7
303.22928	0.9
482.11121	0.8
483.11560	3.9
483.38806	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.5
53.03920	1.0
55.01860	3.9
55.05484	4.2
57.03416	7.4
57.61340	0.4
59.04984	0.9
61.02899	3.5
65.03912	0.6
67.05486	7.5
69.03404	3.1
69.07040	36.5
71.04961	1.9
73.02878	0.6
76.00633	0.6
79.05464	17.6
81.03376	0.7
81.07021	12.9
82.07343	0.9
83.04945	3.3
83.08596	0.7
85.02853	3.4
85.06506	3.1
87.04443	0.6
87.08052	1.1
89.03884	3.9
90.58904	0.5
91.05435	4.9
92.05807	0.5
93.07011	3.5
95.04912	2.7
95.08555	3.9
95.58964	0.5
97.06492	96.8
99.08085	0.7
103.05449	0.6
105.06982	5.2
106.07317	0.6
107.04926	1.8
107.08543	2.3
109.10097	0.6
111.04403	0.8
111.08047	3.4
112.08797	0.5
116.75068	0.5
117.03355	4.8
119.08529	4.7
120.08875	0.8
121.10094	4.7
123.07983	0.7
123.11658	3.1
124.12016	1.0
129.06990	0.7
129.09071	3.3
131.04834	0.8
131.08510	1.2
133.02800	3.4
133.10097	1.1
135.04364	12.1
139.29074	0.5
141.06909	1.0
144.05647	0.5
145.02800	7.7
147.04369	2.7
147.11658	8.3
148.11957	3.0
157.06421	2.0
159.04358	14.4
159.08005	0.6
161.00262	0.6
161.02281	39.9
163.03836	67.7
165.12706	3.6
166.13016	0.6
169.06422	2.0
171.04391	0.7
173.02277	86.8
177.05341	2.0
179.03285	0.9
185.05876	4.2
186.03090	2.1
187.03845	0.8
187.07462	2.5
189.05397	0.6
191.03329	14.8
195.07857	0.8
197.05943	1.2
200.04529	0.7
213.09053	1.0
215.06960	100.0
216.07277	0.6
217.04836	0.5
233.07982	6.2
241.08488	12.8
259.09558	20.1
265.29761	0.6
267.15817	5.5
268.16116	2.1
273.11145	10.7
285.16809	8.9
286.17163	6.0
291.12158	81.2
466.92319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19285	0.7
56.96552	9.9
59.95279	1.0
69.03395	1.4
72.29089	0.9
81.03365	1.6
82.33939	1.1
85.02857	1.2
92.08727	1.3
95.50154	1.0
97.02843	8.5
97.18253	0.9
98.97538	33.0
116.98585	33.7
117.78644	1.0
134.99606	28.7
137.02945	1.4
146.99586	2.0
153.00679	2.1
160.85905	0.9
162.55040	0.9
169.63947	0.9
174.97580	2.2
177.00925	1.7
190.95490	1.4
192.98584	6.2
198.98180	1.0
208.96695	1.2
219.01921	2.1
232.96587	10.7
234.99623	7.0
250.97635	16.9
256.96518	13.9
258.99744	10.4
261.02908	11.0
262.03101	4.4
263.02747	1.2
274.97601	68.4
275.97699	1.4
277.00760	23.6
278.00967	3.8
279.00632	2.0
280.96564	1.1
282.99854	5.8
292.98587	28.6
293.98920	1.4
298.97610	29.9
299.09668	1.9
300.09760	1.3
301.00955	11.7
302.01022	1.8
303.00641	1.7
316.98676	100.0
317.98810	4.0
332.97247	1.0
334.99817	6.1
340.00211	1.1
358.99875	2.0
374.97733	3.9
398.97592	1.6
408.43423	1.0
416.98755	11.5
422.97473	1.6
440.98645	20.0
458.99777	57.4
482.98657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44994	0.3
54.80838	0.3
55.05488	0.7
56.05019	0.8
57.03416	0.5
57.07062	5.7
58.06583	1.0
60.08142	21.0
67.05472	2.2
69.07031	1.0
71.07339	9.0
71.08613	3.4
80.18382	0.4
81.07012	2.7
83.08576	0.9
85.10155	1.8
86.09674	74.5
86.59529	0.5
93.06985	0.5
95.08570	3.1
98.98439	4.4
103.71300	0.4
104.10706	100.0
105.07030	0.6
107.08546	0.8
109.10133	0.7
119.08519	0.6
124.99955	43.6
133.10104	0.7
143.01007	0.6
158.71742	0.5
163.01445	0.7
168.69225	0.5
181.02545	0.5
184.07275	97.3
220.93219	0.5
299.25714	2.7
464.31140	7.6
481.33041	1.5
482.32202	33.1
483.34070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.8
53.03942	1.5
55.01852	1.0
55.05497	11.7
57.03417	4.5
57.07064	5.5
59.04972	0.7
61.02906	1.6
67.05490	3.5
67.05772	0.3
69.03406	7.2
69.07043	100.0
71.04960	6.4
71.08605	3.6
73.02886	0.9
73.06528	1.0
79.05463	0.7
81.03385	5.8
81.07030	2.9
83.08585	4.9
85.02876	16.6
85.03381	0.8
85.10178	1.9
87.00792	6.9
89.06034	3.1
89.06501	0.5
92.62109	0.4
93.06983	0.5
95.04950	0.6
95.08562	3.1
97.02849	5.9
97.10149	0.8
99.04426	1.8
105.01832	3.6
105.06989	1.6
107.08632	1.0
109.02844	3.6
109.10110	7.8
111.11684	90.6
115.03915	1.0
119.08516	0.6
127.03851	5.7
127.11160	6.6
129.01768	0.5
129.12697	2.5
145.04910	1.7
159.02892	0.7
159.11571	0.6
199.16864	25.5
212.67207	0.4
215.16359	3.6
217.15816	0.8
217.17915	17.9
231.04936	0.5
247.56613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
55.01846	3.3
55.05490	7.7
57.03413	8.3
57.10410	0.6
61.02897	1.5
65.05346	0.6
67.05479	21.5
69.03390	4.4
69.07041	14.5
71.04961	3.5
73.14835	0.7
79.05464	11.5
81.03378	1.5
81.07021	75.8
83.04950	6.5
83.08590	6.8
84.01069	0.8
85.02873	16.0
85.06498	4.2
87.04402	1.0
91.05440	20.3
93.07013	10.3
95.04915	3.1
95.08020	1.1
95.08568	16.1
97.02839	4.1
97.06489	10.7
99.04424	0.9
99.08056	4.2
103.32306	0.7
105.06994	32.6
107.08555	12.6
109.02858	3.3
109.06465	4.9
109.10130	1.4
113.05953	1.3
119.08537	24.9
121.10093	22.0
123.07993	3.8
123.10806	1.4
123.11660	30.8
127.03861	1.1
127.07513	3.1
129.06897	1.3
131.08517	1.0
133.10083	3.1
137.13263	1.1
141.09059	0.8
145.04878	1.3
147.11642	69.8
149.09592	0.9
157.10056	4.3
163.03844	1.4
165.12689	31.4
173.02229	1.5
175.11087	3.8
176.85703	0.8
180.08612	0.9
183.13712	1.4
193.12131	1.7
194.54048	0.7
215.06946	5.4
229.14236	6.5
259.09424	1.3
267.15802	56.5
276.24982	0.8
276.91455	0.8
281.77460	0.9
285.16852	100.0
291.12064	3.0
299.33167	0.8
378.60400	0.9
498.03015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64876	0.4
51.48429	0.4
53.03926	0.9
55.01849	3.1
55.05491	8.2
57.03420	11.2
59.04977	0.6
61.02889	0.9
67.05481	21.9
69.03399	7.1
69.07044	15.0
69.91724	0.5
70.49630	0.5
71.04953	3.9
73.02885	0.7
79.05463	12.4
81.03391	0.8
81.07025	71.6
81.14716	0.4
83.04955	6.4
83.08588	6.1
85.02879	11.7
85.06512	5.4
87.04470	1.8
91.03905	0.5
91.05442	19.1
93.07005	12.1
95.04925	3.1
95.08568	17.9
97.02863	4.7
97.06496	7.7
99.04409	0.7
99.08054	3.1
99.34119	0.5
101.05952	1.1
105.06998	30.8
106.94730	0.5
107.08565	14.5
109.02877	0.6
109.06468	6.1
109.10112	4.2
111.08015	0.8
113.05966	1.2
115.03889	0.7
118.45950	0.5
119.08537	29.8
121.10094	18.6
123.08038	3.9
123.11658	29.6
127.07522	2.8
129.06961	1.2
131.08507	1.1
133.04977	0.7
133.10141	4.0
135.11636	3.6
137.05942	0.7
137.09621	1.0
137.13229	2.7
141.09198	0.5
145.04927	0.9
145.10054	1.3
147.11644	71.8
157.10065	3.8
165.12694	26.7
165.14081	0.7
172.84790	0.5
175.11127	3.4
183.13750	2.3
191.33630	0.6
193.12163	1.2
217.18118	0.6
229.14272	7.3
238.71182	0.5
267.15817	38.0
279.79736	0.6
285.16864	100.0
294.36395	0.6
347.76065	0.5
393.43338	0.6
482.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82414	0.8
53.00280	0.8
55.05495	2.0
56.56697	0.7
57.03423	10.1
59.04978	1.4
61.02879	1.0
65.90126	0.8
67.05466	0.9
69.03404	12.9
69.07034	4.3
71.04966	24.6
73.02888	16.5
73.06510	7.2
79.05456	4.9
81.07029	29.2
83.08585	1.5
85.02873	19.0
91.05438	1.8
92.29915	0.8
93.07002	20.7
95.08566	4.5
97.02868	17.6
97.06480	1.1
107.08562	18.4
109.10116	2.1
111.28562	0.9
115.03867	8.7
127.03848	3.8
135.10672	1.7
135.11653	28.2
145.04950	3.4
153.12697	100.0
171.13797	3.7
195.67972	0.9
222.25961	1.0
251.20457	0.9
276.74088	1.0
295.10098	1.0
297.03735	1.2
298.04199	4.9
304.14969	0.9
491.29648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05485	5.1
55.84240	1.9
57.03418	41.7
57.07066	3.2
59.04964	5.1
61.02896	8.4
65.78382	1.9
69.03405	78.1
69.07046	20.2
71.01311	1.9
71.04964	31.9
73.02884	32.9
73.06509	2.1
74.14975	1.8
75.04454	2.3
79.05459	7.4
81.03360	2.9
81.07011	29.2
85.02876	82.3
87.04436	39.9
91.05459	11.0
93.06997	50.1
95.04935	2.6
95.08555	13.5
97.02851	73.8
97.06509	2.8
105.06959	8.8
107.08557	43.3
109.06478	4.9
109.10105	9.3
111.04417	2.5
114.49889	2.0
115.03893	51.2
119.08508	10.9
121.10037	2.5
123.08053	3.7
125.13234	3.6
127.03886	14.0
131.08513	4.6
133.04924	32.8
133.10133	3.0
135.11646	45.5
137.13222	2.7
145.04916	5.1
147.11583	2.5
153.12695	100.0
163.05940	4.1
165.12601	3.3
173.09525	3.5
174.52219	2.0
177.12589	2.5
259.07846	4.5
267.15930	3.0
285.16925	3.9
289.87061	2.4
295.10089	4.6
297.16751	3.9
315.17947	11.2
333.18979	2.7
420.80933	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	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.0
53.20039	2.9
55.01846	5.7
55.05497	16.6
57.03408	6.0
57.07056	24.4
59.04974	4.9
61.02907	5.3
67.05488	5.2
67.90241	2.7
69.03413	33.4
69.07050	100.0
71.04974	5.0
71.08598	11.1
73.02885	6.9
73.06524	19.1
77.29846	3.0
79.05471	3.7
81.03397	32.5
81.07030	11.7
83.08601	5.6
85.02888	69.9
85.10165	5.1
87.00799	41.2
87.04446	5.5
89.05994	28.3
91.05463	5.5
93.07014	6.8
95.08586	15.8
97.02853	47.4
97.10155	3.1
99.04434	15.6
99.08053	3.6
105.01842	30.0
105.07018	4.9
106.09327	3.6
107.08568	14.6
109.02850	18.8
109.10136	11.6
111.11693	93.0
115.03891	3.9
115.74522	3.1
117.01804	4.6
119.08587	11.8
121.10100	12.2
123.11629	4.3
127.03893	39.0
129.12723	66.2
130.49887	3.6
133.10051	6.7
135.11644	4.3
143.10680	3.4
145.04938	12.5
145.10109	6.4
150.49579	3.4
157.10094	4.1
159.02866	5.6
159.11650	5.1
173.13393	3.8
185.13216	3.7
199.16904	12.1
217.17986	13.3
231.04982	5.2
257.47144	3.5
309.50278	3.6
423.32764	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	482.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75599	0.2
53.75395	0.2
54.80948	0.2
55.01849	0.3
55.05490	0.2
57.03414	2.1
61.02881	0.2
67.01833	1.2
68.99753	1.0
69.03406	2.8
69.07028	0.4
71.04955	1.1
73.02895	2.5
77.64333	0.2
77.64848	0.2
79.05452	1.1
81.07035	2.7
85.02874	4.1
85.06527	0.4
87.04423	0.5
89.03870	1.0
91.05435	1.1
92.09322	0.3
93.03408	0.4
93.06997	4.7
95.04928	0.3
95.08556	1.2
97.02850	3.3
97.06472	0.5
102.79788	0.2
103.03885	0.3
104.29822	0.2
105.06976	0.5
107.04903	0.9
107.08570	4.5
109.10129	1.7
110.10384	0.2
111.00774	2.9
111.04395	1.5
113.02312	0.4
115.03913	2.1
117.03314	2.5
119.08480	0.2
123.04379	3.6
127.03870	1.0
133.04910	0.4
135.04367	7.9
135.11646	4.4
137.02203	0.3
137.05920	1.1
137.13179	0.4
139.03877	1.3
145.02805	9.0
145.04749	0.3
151.03842	1.1
151.11192	0.4
153.01778	78.0
153.12698	1.2
154.02080	0.4
159.04349	0.5
161.05930	1.2
163.03842	58.6
166.88710	0.3
169.12144	0.3
171.02818	7.9
179.03333	5.8
187.03842	1.9
197.31715	0.3
205.04915	1.1
223.06084	0.3
247.05838	0.9
253.04884	0.3
271.05878	1.9
289.06964	100.0
290.07339	1.6
465.10077	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	481.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
67.05483	1.6
69.07061	1.7
69.34285	1.5
79.05437	2.1
80.16949	1.2
81.07010	6.4
95.08567	3.0
96.17546	1.3
111.08029	1.6
119.08463	1.3
131.54021	1.3
133.10115	1.6
145.95876	1.4
165.09085	1.7
168.82430	1.7
175.14644	1.5
309.29642	1.8
349.21606	1.4
481.32697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.0
81.07030	1.3
90.54865	0.6
92.09322	1.5
95.08576	1.0
100.82732	0.6
103.86589	0.6
110.30645	0.6
121.10031	0.6
162.23375	0.6
183.86382	0.7
201.75130	0.8
243.70747	0.6
481.32751	100.0
482.33267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69201	0.3
55.07874	0.3
68.48423	0.3
68.70232	0.3
69.01651	0.3
72.67210	0.3
74.46313	0.3
85.88172	0.4
95.08582	0.4
97.44707	0.3
107.08546	0.4
109.10081	0.6
121.10117	0.4
133.10144	0.6
138.26910	0.3
180.13057	0.3
193.64037	0.3
198.38718	0.3
239.28561	0.4
246.45193	0.3
257.30652	0.3
312.78589	0.4
436.64453	0.4
481.32724	100.0
482.32993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61604	0.6
55.05486	5.2
57.03417	0.7
57.07046	0.8
67.05479	4.2
69.03402	2.9
69.07041	4.7
71.04977	1.0
71.08617	0.7
79.05458	3.4
81.03380	1.6
81.07018	7.0
83.04955	1.1
83.08601	1.5
85.02866	3.4
85.06504	1.1
91.05448	4.2
92.62157	0.8
93.07001	9.1
95.04945	1.6
95.08567	8.1
97.02885	1.3
97.10152	1.0
100.11224	2.9
105.06982	4.1
107.08567	5.9
109.06453	0.7
109.10142	2.6
111.08070	0.8
115.03844	0.8
119.08565	3.2
120.05045	0.6
121.10099	4.8
123.08020	1.6
123.11656	1.5
127.03869	0.9
133.10114	1.6
135.11636	1.6
137.05888	0.9
137.13213	0.9
145.10103	1.6
163.03932	0.8
177.42203	0.7
182.15323	1.2
187.14862	0.7
193.04930	0.8
193.15790	1.1
227.05202	0.9
233.15086	4.5
261.14725	0.8
275.16214	0.9
283.26181	0.8
289.10587	1.2
395.20267	24.0
437.21268	44.1
476.78244	0.8
481.20270	100.0
481.26709	4.0
482.20886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
54.80751	0.4
55.01853	4.4
55.05490	4.0
55.72618	0.4
57.03155	0.4
57.03416	11.0
57.07044	0.9
59.04691	1.0
59.04976	24.5
61.02901	1.7
67.05476	6.0
69.03403	14.7
69.07043	2.3
71.01306	1.0
71.04956	4.5
73.02880	17.6
74.11094	0.4
77.03873	0.4
79.05450	7.1
81.03375	2.0
81.07018	41.1
83.04964	0.6
83.08573	4.6
84.22717	0.4
85.02866	16.6
85.06518	1.0
87.04429	16.4
89.05984	2.1
90.26574	0.4
91.05444	14.3
92.08629	0.5
92.54527	0.4
93.06999	100.0
95.04924	7.7
95.08553	4.2
97.02841	15.3
97.06510	1.0
99.04432	0.8
105.06985	20.7
107.08548	9.1
109.02843	0.9
109.06463	6.1
109.10118	7.3
110.97903	0.4
111.04454	0.5
111.08036	50.6
111.59441	0.4
115.03900	6.9
119.08549	0.8
121.10087	8.3
123.08006	1.1
123.11654	17.7
123.12553	0.7
127.03880	2.7
128.80420	0.5
133.04907	1.8
133.10078	15.6
135.11642	1.8
145.04886	0.7
151.11118	25.5
163.05978	0.7
169.12163	49.9
170.12544	1.8
171.13666	0.5
187.13210	27.7
241.06981	0.5
287.13861	0.7
289.12515	0.5
319.16312	1.8
451.97205	0.5
472.51767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1671
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
55.05502	0.6
57.03412	0.4
61.02893	0.3
63.10252	0.2
64.75057	0.2
67.05469	0.4
69.03404	0.6
69.03743	0.2
70.06561	0.4
73.73660	0.2
79.05469	0.5
81.03394	0.5
81.07032	1.5
83.01303	0.6
83.04945	0.5
83.08590	0.4
85.02895	1.4
85.06538	0.3
87.46355	0.3
91.05474	0.3
93.07021	1.4
94.07320	0.3
95.04947	0.5
95.08552	1.1
97.02854	0.6
97.06464	0.3
100.36403	0.3
101.30536	0.3
105.07003	0.3
107.04952	0.4
107.08573	0.3
109.02715	0.3
115.03925	0.4
117.07009	0.4
121.10121	0.6
121.16818	0.3
123.08012	0.3
127.03651	1.3
135.11656	0.4
137.05933	0.3
138.81039	0.2
145.02805	0.3
145.10120	0.4
163.03833	0.3
163.11179	0.4
173.04181	0.4
186.06555	1.1
215.05212	1.1
216.74271	0.3
229.06833	0.5
259.05765	0.5
275.07269	0.3
277.06613	0.3
283.15298	2.1
284.15710	1.1
291.08319	0.5
297.03857	1.1
317.08411	3.1
349.12466	1.4
481.16669	100.0
482.16968	1.2
507.38593	0.3
507.71542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.112
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
53.03915	0.2
55.05482	0.9
57.03406	0.2
57.07040	0.6
63.70085	0.1
67.01842	0.2
67.05465	0.9
68.99756	0.5
69.03391	0.3
69.07040	1.8
71.04945	0.5
71.26288	0.1
73.23956	0.1
79.05447	1.6
81.03387	0.3
81.07021	3.4
83.04942	0.2
83.08591	1.0
85.02868	0.9
85.06496	0.2
85.50953	0.1
87.04452	0.2
91.05438	0.6
92.63071	0.1
93.07025	1.0
95.04921	0.3
95.08563	3.2
97.02835	0.6
97.06490	0.3
97.10110	0.5
99.08057	0.2
104.95334	0.1
105.06989	0.8
107.04930	1.2
107.08546	1.2
107.42409	0.1
109.02869	0.2
109.06482	0.2
109.10126	1.8
111.11633	0.3
115.03878	0.1
115.05269	0.1
117.03358	0.2
117.07011	0.2
119.08544	0.8
121.10077	1.2
123.08074	0.2
123.11662	0.8
127.03900	0.2
131.08482	0.1
133.10109	0.2
135.04372	2.4
135.08000	0.2
135.11646	0.3
136.05156	0.2
137.02301	2.5
137.03333	0.3
137.05960	0.3
137.13177	0.3
138.03052	1.6
145.10059	0.2
149.13255	0.2
151.14728	0.2
153.01804	5.4
153.05409	39.6
153.93604	0.1
159.11708	0.2
161.02271	0.9
163.03819	0.5
163.14748	0.2
168.01440	0.1
171.02808	1.0
173.09583	0.2
173.13268	0.2
177.01678	0.3
179.03300	0.3
183.11612	0.2
189.12645	0.2
191.17856	0.2
193.04865	0.2
195.06470	2.2
197.53171	0.1
199.03792	0.2
203.03297	0.2
205.01321	0.2
227.03351	0.1
241.04857	0.6
247.24092	0.6
255.02760	0.8
257.04410	0.1
265.25055	0.3
269.04260	0.3
273.03821	0.7
286.04938	0.2
287.05380	100.0
288.05801	0.2
289.10461	0.3
297.03842	0.2
301.39673	0.1
311.05331	2.5
313.03326	0.6
313.06979	0.7
339.04828	4.5
361.06906	0.2
371.07242	0.3
389.06372	0.2
398.59302	0.2
407.07404	2.1
449.08496	0.8
481.10840	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	480.3075
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.07466	2.0
55.05497	26.1
57.03407	5.1
57.07046	13.0
62.06057	21.1
67.05470	14.3
69.07050	35.4
79.05454	4.5
79.45944	2.3
81.07028	20.9
83.08571	18.8
93.06988	4.9
95.08583	22.4
97.10133	11.6
98.98399	12.4
105.03326	5.8
107.08556	6.8
109.10155	3.8
121.10077	6.9
123.11652	3.4
135.11627	6.6
149.05939	20.7
151.20848	2.7
155.00995	4.6
165.09045	3.8
182.97163	2.9
199.82603	2.6
265.25058	3.1
308.29340	13.2
312.01114	2.9
339.28778	100.0
341.10107	5.0
348.01309	3.2
462.29346	5.0
480.30524	12.8
483.19879	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.112
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
50.38218	0.3
55.01832	0.7
55.05469	1.3
57.03384	1.8
57.07016	0.3
59.15348	0.3
61.62759	0.3
67.01827	0.4
67.05457	1.3
68.99742	2.1
69.03411	3.7
69.07024	0.8
71.04929	0.6
73.02806	0.4
75.04372	0.3
76.47582	0.3
76.77094	0.3
78.34225	0.3
79.05433	1.8
81.03344	0.5
81.07028	5.9
83.08547	0.8
84.04454	0.5
85.02885	4.1
85.06498	0.7
87.04390	1.7
93.06969	1.6
95.04898	0.6
95.08577	2.8
97.02856	2.5
97.06457	1.8
97.10063	0.3
98.97530	0.6
99.04375	0.5
100.11203	3.6
105.06944	1.4
107.04898	0.5
107.08500	1.7
109.06445	0.4
109.10101	1.8
111.04364	0.5
115.03847	2.1
116.04182	0.5
116.98531	0.4
117.03270	0.5
119.01825	0.4
119.08488	0.6
121.10094	0.6
123.04340	0.5
123.08022	0.5
123.11622	1.5
127.03831	0.6
129.06757	0.4
131.04849	1.6
133.04916	2.0
133.10019	0.5
135.04373	3.7
135.07997	0.4
135.60867	0.4
137.02295	8.8
137.05942	0.5
138.03046	0.4
142.12187	0.6
147.04329	0.6
147.11620	0.6
153.01781	7.4
153.05429	13.8
153.79649	0.3
154.12198	0.6
159.04367	0.7
159.11519	0.5
161.02260	1.7
163.03833	2.4
168.13745	0.5
171.02826	0.5
179.03352	3.1
182.15347	0.4
184.16718	0.5
187.03835	1.5
199.03831	0.4
203.03300	1.7
210.14856	0.8
225.05435	0.4
227.03258	0.5
229.04880	0.8
241.04944	0.9
245.04373	0.6
253.04868	1.6
255.02736	2.0
261.03983	0.4
269.04428	2.8
271.05933	1.8
273.03763	1.9
277.14691	0.5
281.18658	0.5
287.05405	100.0
289.03558	1.2
289.10538	0.9
297.03879	0.5
311.05396	2.1
313.03287	2.0
313.07104	2.3
331.04434	7.5
339.04922	3.2
351.08755	0.5
361.06854	3.6
379.07941	2.3
407.07465	17.7
421.09027	0.6
423.12686	0.4
431.07532	3.3
449.08469	14.1
481.11148	37.7
481.37305	2.1
482.11639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35419	0.6
53.03923	1.6
53.13929	0.7
55.01846	10.7
55.05486	14.2
57.03156	1.0
57.03413	23.6
57.07045	4.5
59.04961	2.0
61.02908	3.0
63.70350	0.7
67.05477	24.1
68.99763	1.0
69.03398	9.7
69.06726	1.1
69.07037	17.0
69.71301	0.7
71.04966	16.3
73.02862	3.6
75.04463	1.7
75.84139	0.8
79.05453	26.9
81.03370	6.9
81.07020	62.8
83.01294	0.8
83.04947	15.8
83.08582	13.8
85.02862	15.2
85.06509	11.8
87.04390	1.0
91.05431	18.6
93.07001	100.0
95.04928	15.3
95.08564	70.8
97.02839	6.0
97.06486	27.6
97.10133	6.0
98.97552	0.9
99.04401	5.1
99.08027	5.2
101.05963	1.3
105.06278	1.9
105.06980	34.9
107.04911	4.2
107.08552	50.5
109.02849	1.4
109.06483	19.1
109.09403	1.6
109.10118	36.7
111.08039	30.8
113.05920	0.9
113.09602	50.4
117.06934	5.0
119.04910	1.4
119.08523	23.4
121.06461	13.7
121.10091	43.8
123.07999	12.4
123.11660	16.7
125.05958	11.9
125.09577	5.0
127.03862	1.9
127.07478	5.9
127.11129	1.9
128.06137	1.2
129.05411	1.4
129.06943	2.0
129.09027	6.5
131.08498	14.3
133.10072	22.9
135.04364	1.2
135.07977	5.1
135.11633	10.4
137.05888	2.0
137.09528	6.9
137.13200	4.2
139.00121	0.8
139.07491	51.3
139.11130	3.5
141.09099	1.5
143.06987	5.7
143.08485	3.9
145.06427	1.6
145.10060	16.9
145.12318	0.9
147.04311	3.2
147.07976	1.6
147.11636	23.2
149.09581	7.4
149.10568	0.9
149.13203	30.2
151.07504	1.4
151.11118	6.1
153.01790	5.5
153.09102	1.3
154.02122	1.2
155.08495	1.9
155.10522	1.4
157.08536	30.5
157.10004	3.9
159.06470	0.9
159.07959	1.0
159.11584	8.9
161.09546	1.1
161.13235	7.6
163.03831	1.3
163.11101	7.0
163.14734	4.3
165.09157	1.3
165.12698	1.7
167.10551	3.3
169.08636	1.3
169.09993	2.0
169.12228	1.2
171.11557	3.6
173.09511	3.0
173.13177	5.6
175.11096	3.4
175.14734	1.4
177.08826	0.9
177.12758	1.0
177.16301	17.2
179.14244	1.3
181.12115	1.6
185.13071	1.1
187.11159	1.0
187.14737	13.5
189.12640	2.0
191.10651	1.3
191.14238	4.6
195.17343	5.4
201.16318	6.2
203.17882	12.5
205.15800	11.2
211.14696	4.3
221.18935	7.7
223.16835	11.4
227.12640	6.1
229.15782	7.2
239.19984	11.5
241.17944	1.1
246.73811	0.9
247.16811	19.1
265.17841	29.2
269.04483	0.9
283.15268	13.4
283.18890	22.2
284.76917	1.0
297.03638	1.2
301.19977	28.2
304.08713	3.4
311.14661	1.6
313.16479	1.3
317.06699	1.0
318.06793	1.1
318.99680	1.1
502.98087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29134	0.6
53.00299	1.3
53.03927	1.3
55.01857	1.8
55.05496	1.2
57.03422	57.3
57.07053	1.8
58.33897	0.7
59.04971	1.5
60.04503	0.9
61.02643	1.0
61.02908	15.4
67.05480	6.0
69.03407	55.7
69.07044	65.9
71.01320	6.4
71.04948	3.3
73.02889	100.0
75.83147	0.7
78.61031	0.8
79.05463	1.3
81.03393	6.0
81.07024	25.2
83.04945	1.1
84.83291	0.8
85.02879	72.6
87.04436	6.3
91.03931	1.3
91.05466	1.0
92.08684	1.9
93.06995	3.1
95.04923	1.2
95.08576	7.7
97.02856	79.7
98.05990	0.9
99.04388	1.3
105.07013	1.6
107.08571	3.5
109.02849	5.6
109.06506	1.9
109.10133	9.0
111.36115	0.6
115.03893	45.7
117.90434	0.7
121.10106	1.9
121.34916	0.7
123.11663	61.2
125.02351	0.7
127.03870	15.3
127.07531	1.4
128.21779	0.7
133.04918	10.8
133.10089	1.0
139.03925	0.9
144.06520	3.1
145.04956	11.5
150.07536	1.0
151.11131	38.0
160.08806	0.8
163.05966	4.6
169.12186	5.8
193.04955	1.2
223.05867	3.5
241.06973	4.0
259.07980	2.9
268.97495	0.9
283.15298	16.5
295.10037	1.0
300.82574	0.9
313.16324	4.9
401.03632	0.8
479.25723	1.6
480.26074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.1
53.03918	1.6
55.01857	14.5
55.05484	4.3
55.52646	0.7
57.03418	26.2
57.07053	1.6
59.04977	5.7
60.04477	0.9
61.02610	1.1
61.02903	18.6
61.89890	0.8
63.23697	0.8
67.05480	8.7
69.03402	54.5
69.07042	64.2
69.07420	2.2
71.01319	4.5
71.04963	5.0
73.02885	100.0
76.54517	1.1
76.97096	0.9
77.65625	0.9
79.05450	5.0
81.03373	11.5
81.07022	29.1
83.04956	4.4
83.08590	1.3
85.02874	92.2
85.06491	1.1
87.04434	10.3
89.03813	1.0
89.44627	0.9
91.03893	3.6
91.05438	5.6
93.07013	9.6
94.07344	1.8
95.04948	3.9
95.08568	10.0
97.02850	81.3
97.06466	2.3
99.04420	4.7
101.02343	1.0
103.03906	1.4
103.83589	1.0
105.07021	7.1
107.04913	1.4
107.08537	8.4
109.02826	7.8
109.06459	1.9
109.10129	11.8
113.06010	1.2
115.03887	34.3
119.08526	6.4
121.10104	10.2
122.10429	1.9
123.04407	1.4
123.11655	59.7
127.03872	22.2
131.04913	1.0
131.08522	1.3
133.04909	25.1
133.10049	3.8
135.04295	1.0
144.06554	1.9
145.04913	21.2
145.10197	1.1
147.07898	1.2
147.11647	8.3
149.09583	1.2
149.13235	3.9
151.09984	1.2
151.11116	35.6
163.03903	1.0
163.06032	7.0
165.12744	1.8
169.12163	4.7
173.02325	1.0
186.49541	1.0
189.08922	1.0
223.05966	1.4
229.14359	1.1
241.07048	2.1
259.07962	4.1
283.15314	17.5
287.05389	1.3
295.10107	1.2
313.16263	1.2
435.62436	1.0
447.34955	1.1
479.25552	5.2
480.26123	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	480.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65525	1.6
53.00271	2.0
53.03920	7.9
54.58508	1.2
54.98121	1.5
55.01852	16.5
55.05494	3.3
57.03421	23.3
57.07045	3.4
59.04971	3.3
61.02903	23.3
67.05481	17.8
69.03403	59.4
69.06683	3.8
69.07040	68.9
71.01311	7.5
71.04952	8.0
73.02886	100.0
79.05463	12.8
81.03381	29.7
81.07026	64.3
83.04970	3.6
83.08584	7.2
85.02872	96.8
85.06512	3.4
87.04434	3.0
91.03889	2.9
91.05441	16.0
93.07003	20.7
95.04930	4.3
95.08560	21.2
97.02851	81.4
97.06447	6.6
97.10167	1.7
99.04400	9.5
105.06992	23.5
105.34293	1.8
107.08564	21.1
108.08871	2.0
109.02846	17.3
109.06494	6.9
109.10117	13.0
110.25154	2.0
115.03888	35.3
119.08509	17.6
121.10099	29.5
122.10417	2.4
123.08044	2.1
123.11652	81.6
127.03859	38.2
131.08549	2.3
133.04932	30.2
133.10072	2.9
135.08015	2.1
137.05849	3.0
145.04892	23.5
147.11638	48.2
149.13159	3.6
151.03806	1.7
151.11119	35.7
157.09982	1.9
163.03867	1.8
163.06020	6.0
165.12698	20.0
169.12169	3.5
175.11145	2.3
183.13731	2.7
193.04813	2.1
193.12112	3.4
229.14235	25.8
241.06891	2.9
272.90762	1.7
283.15341	18.4
313.15729	2.3
313.69424	1.9
319.15186	2.5
330.13040	1.9
337.16306	11.7
355.17487	16.3
373.18350	3.2
442.82520	1.8
464.46976	1.9
479.25580	9.3
480.26291	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	480.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
53.74681	0.3
55.01841	1.6
57.03418	27.3
59.04966	0.6
61.02652	0.3
61.02901	6.2
65.69709	0.3
67.05479	0.4
69.03404	24.9
70.34215	0.3
71.01321	3.7
71.04960	0.6
73.02885	44.3
75.04441	0.5
79.05462	0.5
81.03373	3.8
81.07008	0.8
83.04933	0.4
85.02875	31.4
87.04450	3.0
91.03912	0.7
91.05447	0.5
93.07020	0.4
97.02853	32.9
99.04424	0.7
105.03317	0.4
105.06991	0.6
107.04916	1.3
107.08540	0.4
109.02848	4.4
109.10117	0.5
110.03622	2.0
111.04405	0.5
115.03889	20.4
123.08010	0.5
123.11658	2.1
125.05907	0.5
126.09109	0.8
127.03866	6.8
133.04904	7.0
133.10049	1.9
137.02292	100.0
145.04921	5.9
151.11139	1.9
155.03349	0.5
162.07518	0.4
163.03851	3.0
163.05937	2.0
169.04890	64.8
169.12146	1.9
194.66100	0.4
223.05927	1.7
241.06915	2.4
244.09377	1.5
245.09711	0.7
259.07983	1.4
277.09509	0.4
288.12341	0.5
295.10104	1.7
366.94641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.312
Annotation	BIBN-161
Peak:m/z	Relative Intensity
55.05487	0.6
60.26873	0.3
65.91240	0.4
67.05482	0.9
69.07046	0.5
79.05455	0.5
81.07021	2.6
88.38019	0.4
89.38316	0.4
93.06988	0.9
95.08568	1.8
105.06954	0.6
107.08526	0.8
109.10163	0.4
119.08530	0.7
131.08559	0.6
133.10089	0.5
135.11696	0.4
147.11615	0.6
172.85231	0.4
177.12862	0.4
182.58400	0.4
259.65909	0.4
309.66397	0.5
338.27802	0.6
479.31134	100.0
480.31683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.7
55.01851	1.8
55.05490	15.8
57.03419	1.8
57.07047	5.1
57.07306	0.9
57.35686	1.1
60.11875	1.0
61.02882	1.4
61.69196	1.0
61.71439	0.9
67.05481	17.1
69.03401	12.8
69.07037	17.9
71.04967	2.3
73.02880	1.1
75.04441	1.1
76.55937	1.0
79.05460	20.3
81.03386	6.4
81.07021	41.0
82.07350	1.8
83.04942	5.5
83.08582	9.0
84.08929	1.0
85.02866	13.4
85.06517	4.0
86.56697	1.0
87.53959	1.1
91.05440	19.1
93.03306	1.4
93.07005	82.5
94.07333	6.3
95.04942	6.9
95.08569	33.7
96.08894	5.0
97.02876	4.5
97.06512	8.9
97.10155	4.5
103.05451	1.0
105.06990	16.8
107.08559	30.7
108.08885	2.5
109.02831	1.9
109.06457	2.5
109.10120	26.8
110.10457	4.2
111.08059	5.4
111.11687	1.3
113.09595	1.2
115.05396	1.0
117.79639	1.1
119.08545	19.0
121.06442	2.2
121.10097	51.0
122.10418	4.3
123.04385	2.7
123.08028	2.0
123.11650	17.2
124.12016	2.1
124.26846	1.1
125.05965	7.9
125.09554	2.4
127.03889	5.3
129.05431	1.8
131.04874	1.8
131.08516	7.4
133.10089	10.6
135.08023	1.9
135.11662	7.3
137.09595	2.4
137.13232	2.0
139.03851	9.0
139.07504	18.2
139.11150	1.2
140.07860	4.4
143.06992	1.4
143.08559	1.2
145.10025	1.3
147.07986	1.7
147.11635	9.2
148.12003	2.6
149.09583	11.4
149.13187	9.3
150.13560	1.4
151.03873	10.5
153.01759	1.5
153.09032	1.8
159.04492	1.1
159.11646	2.3
161.13208	4.2
163.03868	18.0
163.14725	1.6
165.09062	6.3
167.10672	2.0
169.04904	29.3
177.05461	1.7
177.16335	1.8
179.06924	1.2
181.04884	36.1
181.12160	1.7
185.04457	1.2
193.05014	2.6
193.12340	1.4
203.17949	6.9
204.26761	1.0
205.04926	1.5
207.13687	1.3
221.08072	1.5
221.18883	3.8
222.19357	1.8
231.13617	2.1
241.19127	1.1
245.18950	1.3
263.20016	7.5
263.23309	1.9
264.20435	2.3
271.02225	1.5
271.06012	1.1
275.12686	5.5
281.21161	2.7
281.24615	1.4
282.21310	1.6
289.14313	2.0
393.18677	16.9
428.73108	1.2
435.19748	43.0
441.04504	1.1
479.18747	100.0
479.25687	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	479.1174
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.03411	0.9
61.02608	0.4
61.02905	9.8
65.03893	0.2
68.99748	0.2
69.03412	1.8
73.02889	2.5
73.03278	0.3
73.86540	0.2
75.96879	0.2
76.37495	0.2
76.88972	0.2
79.05406	0.2
81.03389	0.8
81.07001	0.2
85.02877	8.2
87.04396	0.2
91.03922	3.3
92.02590	1.6
93.03376	1.6
97.02859	4.2
98.35496	0.2
111.00764	0.2
119.08540	0.3
121.02843	1.5
127.03850	0.4
139.03853	1.3
141.58461	0.2
145.04868	0.3
151.03859	0.9
153.01785	11.6
153.03032	0.4
163.03841	0.3
165.01782	0.4
177.21100	0.2
183.79959	0.2
199.95464	0.2
201.05380	1.2
203.03362	0.5
217.04884	1.1
218.05663	1.3
219.02824	0.3
228.04021	1.6
229.04865	5.1
231.02808	0.5
245.04306	1.9
246.05132	2.9
257.04346	3.8
260.03256	0.3
260.51071	0.2
261.07364	0.2
271.06046	0.2
273.03860	2.5
274.04617	6.2
284.03168	0.3
285.03799	7.0
302.04105	17.1
313.66949	0.2
317.06445	100.0
318.06830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1174
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.02375	0.1
53.03941	0.2
55.01854	0.2
57.03415	1.0
61.02901	11.5
65.03902	0.2
68.99776	0.2
69.03397	1.9
71.04942	0.1
73.02887	2.9
80.39669	0.1
81.03372	0.6
81.07022	0.2
85.02872	8.1
91.03912	3.7
91.05420	0.1
92.02577	1.4
93.03358	1.9
93.07015	0.5
95.04871	0.1
95.08561	0.2
97.02853	3.8
99.04386	0.3
101.02338	0.2
102.30431	0.1
105.06994	0.2
107.04909	0.1
107.08556	0.2
109.02838	0.4
111.00745	0.3
115.03890	0.5
117.78130	0.1
119.08538	0.6
121.02800	1.4
121.10067	0.2
123.04404	0.1
126.03086	0.6
127.03877	0.9
135.04353	0.1
137.02249	0.1
138.82602	0.1
139.03833	1.3
145.04912	0.2
147.11650	0.1
150.19333	0.1
151.03815	0.9
153.01770	12.4
157.10042	0.1
161.05959	0.2
163.03894	0.2
165.01764	0.7
166.02522	0.1
173.05946	0.2
177.05432	0.2
183.02885	0.4
190.06250	0.2
200.04578	0.3
201.05418	1.3
203.03322	0.7
217.04895	1.4
218.05679	1.1
219.02762	0.3
228.04077	2.2
229.04889	4.8
231.02809	0.8
243.06261	0.2
244.80164	0.1
245.04364	2.0
246.05099	3.0
256.03622	0.2
257.04330	4.2
258.05032	0.2
260.03070	0.6
261.07449	0.2
271.05930	0.5
273.03839	2.6
274.02057	0.2
274.04587	6.2
284.03006	0.8
285.03815	6.8
286.04538	0.2
287.01822	0.2
288.06149	0.2
301.03372	0.2
302.04089	18.3
303.04581	0.1
317.06433	100.0
318.06848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20604	3.7
53.29394	3.5
54.18450	3.3
54.51967	5.0
54.81094	4.1
55.05489	9.4
57.07048	4.9
67.05465	21.9
69.07042	47.2
70.99117	4.5
71.04978	9.1
73.56586	3.8
75.23709	3.8
79.05466	16.2
81.07019	100.0
81.49836	4.3
83.08595	8.1
91.05447	8.3
93.06996	44.0
95.08571	61.0
95.40283	4.4
97.10137	5.0
105.07009	30.9
107.08566	29.3
109.10131	54.3
119.08533	37.7
121.10102	31.1
123.11651	18.6
127.11108	4.5
131.08522	4.7
133.10071	10.6
135.11623	11.0
137.13155	6.5
139.31273	5.0
143.10611	6.3
147.11624	23.9
149.13202	6.1
159.11603	16.1
161.13184	5.9
168.36838	4.9
173.13188	7.1
175.14638	5.2
189.16371	6.4
203.17944	6.0
221.02730	5.0
227.52643	4.5
253.77280	4.4
339.26254	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	479.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06966	0.6
56.58600	0.5
56.96539	4.8
57.78522	0.6
69.03408	3.2
70.06576	1.2
73.02911	0.5
83.04931	0.7
84.96018	1.4
85.02870	4.0
85.70144	0.6
90.29813	0.7
92.08694	1.4
97.02851	2.6
97.78044	0.7
98.97540	10.6
110.97534	1.2
111.04408	0.8
116.98554	4.9
119.04927	1.3
123.04346	0.7
125.75699	0.7
127.03815	0.8
128.98560	3.3
134.99649	3.0
135.04349	0.9
136.93068	10.7
143.00140	2.4
146.99631	2.9
147.04382	3.6
154.94118	38.5
158.99597	2.9
161.01183	2.5
162.99100	0.8
163.03851	6.3
165.00684	0.8
170.99617	2.6
172.95174	100.0
173.02911	0.8
177.00638	2.6
179.02118	1.0
189.00557	4.8
190.96227	65.8
196.95122	6.4
198.98517	2.5
201.00661	5.9
208.97206	1.2
213.00571	0.9
214.96227	71.5
216.99655	1.0
218.99745	0.7
219.01598	5.0
226.96204	4.1
232.95171	1.0
232.97255	23.3
237.02774	3.3
244.97311	8.9
245.04890	0.8
250.96181	2.4
256.97260	4.6
258.98782	0.8
261.02756	3.4
262.98514	0.9
268.97232	2.7
274.98257	5.8
279.03873	1.4
298.98196	8.4
316.99326	30.3
331.00848	4.1
335.00323	9.8
349.01971	1.0
426.06516	0.7
479.04581	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30075	4.0
51.57122	3.7
51.83264	4.6
55.05276	4.1
55.05483	42.0
57.03417	4.9
57.07064	5.6
66.73096	5.1
67.05471	38.8
69.07039	32.6
70.06554	5.9
71.04960	9.9
79.05477	19.3
81.07022	66.0
83.08587	80.0
85.06523	9.1
91.05441	5.8
93.07014	44.9
95.08566	76.5
97.10143	5.6
105.07001	25.0
107.08553	46.7
109.10111	100.0
113.09607	9.3
119.08532	32.7
121.10075	56.4
123.11656	29.6
133.10097	30.0
135.11668	52.6
147.11671	23.5
149.02306	29.5
149.13194	12.3
161.13196	26.0
163.14787	22.9
175.14786	20.9
175.98753	5.2
177.16306	6.2
189.16330	32.2
191.17870	7.4
193.04912	11.4
203.17883	10.7
207.17435	19.9
217.19518	6.3
267.08948	10.0
285.09988	27.0
299.27130	8.9
312.32611	6.7
317.12531	7.7
325.28931	8.7
331.51196	5.3
343.29852	25.5
361.30881	47.4
378.68774	6.1
407.36758	7.4
425.37622	33.8
478.35410	11.8
497.72437	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	478.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.3
57.03415	2.2
57.05747	1.3
57.07058	2.4
59.04976	2.9
60.04517	1.4
63.48077	1.2
66.71374	1.4
67.05479	12.7
67.79191	1.5
69.03411	1.7
69.07036	12.4
71.04935	1.5
79.05455	13.7
81.03368	2.6
81.07024	28.1
83.08583	9.0
91.05439	13.7
93.07011	27.7
94.07295	1.6
95.04955	2.0
95.08572	56.0
97.06464	2.4
97.10136	2.3
105.06999	28.6
107.04912	2.1
107.08563	100.0
109.06536	1.7
109.10116	29.2
109.10767	1.8
115.72530	1.5
117.06960	2.8
119.08550	55.0
121.06502	2.3
121.10110	29.6
123.08019	3.2
123.11675	16.4
129.06984	2.9
131.08505	12.2
133.10088	22.4
135.08028	2.1
135.11647	29.3
137.13228	3.0
143.08522	8.2
145.10068	30.9
147.08037	2.2
147.11659	22.2
149.13255	11.9
155.25244	1.6
157.10085	12.3
159.11638	20.7
161.09560	1.6
161.13203	25.1
163.11118	8.9
163.14763	9.2
165.12691	16.8
169.10007	5.7
171.11629	12.9
173.13202	20.0
175.14752	3.6
177.16200	1.9
179.14281	6.4
183.11606	9.3
185.13184	7.7
187.14764	12.1
189.16425	3.0
191.17935	2.3
197.13252	6.4
199.14777	10.9
201.16374	8.5
203.14330	2.7
203.17986	2.3
211.14784	3.2
213.16295	6.1
215.17892	7.8
217.15778	2.1
224.44070	1.4
225.16508	2.1
227.17868	3.3
229.19344	3.1
239.17789	2.6
241.19434	2.4
243.21024	29.4
245.22624	2.5
253.19366	13.2
255.20880	5.8
259.20590	3.3
261.22061	7.4
267.21082	3.6
267.71838	1.9
285.22214	2.3
293.22568	1.9
351.26279	2.0
367.30020	2.5
389.32065	3.0
407.32913	74.7
424.32602	3.2
425.34140	27.1
442.33752	2.3
443.35086	15.5
460.37561	2.1
478.39304	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	478.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86256	2.4
55.05501	33.1
55.92411	2.3
57.07072	3.5
67.05492	17.1
69.07064	26.8
71.88151	2.9
75.31351	3.0
79.05469	5.1
81.07027	41.6
83.08604	31.0
86.91479	2.7
91.05432	5.7
93.07015	37.0
95.08580	45.8
97.10159	3.3
97.12222	2.8
99.04457	7.4
99.08086	4.1
102.71284	2.8
103.30787	2.7
105.06992	25.8
107.08571	50.5
109.10147	27.3
111.08067	3.9
119.08548	48.4
121.10123	34.6
123.11679	17.6
127.88002	2.9
131.08530	17.7
133.10091	26.7
135.08029	6.9
135.11661	13.8
143.08565	6.6
145.10127	33.9
147.11665	20.1
149.13240	14.0
151.11203	4.3
157.10089	6.9
159.11644	20.0
161.13188	12.3
163.14804	14.9
171.11676	17.0
173.13258	19.1
174.25565	3.4
175.14818	6.2
177.81911	2.9
183.11548	3.8
185.13286	12.7
187.14786	44.9
189.16345	4.7
195.13774	4.5
199.14859	12.9
201.16322	6.9
205.15868	4.7
206.87033	3.1
213.16454	3.8
215.17914	3.9
224.55161	3.6
227.18002	4.3
263.19870	3.4
273.22034	4.2
287.23538	3.9
301.21460	6.2
331.02634	3.1
419.35068	3.7
425.34222	28.4
443.35019	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01870	1.6
55.05499	13.9
56.96537	2.7
57.03420	3.6
57.07053	3.2
59.13111	1.5
60.04501	9.3
61.02892	2.6
64.45396	1.4
65.48949	1.4
67.05481	17.2
69.03400	2.2
69.07047	19.7
71.04966	2.6
79.05444	15.7
81.03384	3.2
81.07023	39.4
82.07329	1.8
82.14462	1.6
83.04940	6.4
83.08590	9.7
85.02898	1.8
85.06499	2.7
85.95914	1.7
91.05428	14.7
92.63539	1.8
93.07014	38.1
93.46273	1.5
93.49308	1.4
95.04934	2.8
95.08566	58.3
97.02848	2.0
97.06490	3.7
97.10155	2.4
99.08072	2.0
105.06998	30.2
106.10817	1.5
106.42913	1.5
106.87199	1.3
107.08553	52.7
109.06454	4.0
109.10122	33.9
111.08046	2.5
117.06979	2.0
119.08534	56.6
121.06530	2.1
121.10100	53.9
123.08042	8.3
123.11653	18.9
129.06924	2.2
130.28854	1.5
131.08511	16.2
133.10075	38.5
135.08025	20.0
135.11633	38.1
137.09558	2.3
137.13185	6.7
142.07747	3.2
143.08513	8.6
145.10069	32.2
147.11641	29.4
149.09615	6.4
149.13181	13.7
155.08493	2.0
156.09305	3.6
157.10062	20.7
158.10847	1.7
159.11641	38.0
161.09560	3.2
161.13197	27.5
163.11154	3.8
163.14746	17.9
166.76596	1.6
169.10097	2.7
170.10831	2.2
171.11641	22.6
173.13220	37.6
175.11110	2.6
175.14757	21.2
177.12715	2.0
177.16385	3.6
183.11641	25.6
185.13171	23.0
187.14761	19.1
189.12749	2.5
189.16360	16.0
191.14273	7.9
191.17888	18.8
197.13205	3.1
199.14824	11.6
201.12717	6.9
201.16350	12.5
203.14265	18.8
203.17947	7.6
207.30569	1.9
209.13315	2.3
213.16318	6.5
215.14241	3.2
215.17819	3.1
217.15802	13.0
217.19370	2.0
219.20914	2.5
227.17918	4.0
229.19582	2.2
243.17351	2.4
243.21016	8.9
245.18732	2.2
257.22473	2.8
267.20901	2.3
311.23602	2.1
316.28403	4.0
379.33212	2.0
389.32086	11.6
397.34415	3.2
407.32935	68.0
424.33582	2.3
425.33969	100.0
443.35098	3.9
460.37692	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	478.2918
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.48275	0.8
53.00281	0.8
55.05497	18.1
57.03422	7.8
57.07051	3.8
60.17758	1.0
62.05759	1.5
62.06065	33.7
67.05482	48.5
68.56429	0.8
69.07049	26.1
71.04958	1.7
71.08591	0.9
74.80970	0.9
76.55629	1.0
79.05460	11.6
79.87492	0.9
81.07028	47.0
83.08592	11.7
85.06538	1.1
91.05447	8.9
93.07004	15.7
95.04922	1.5
95.08575	35.7
97.10143	5.1
98.06033	1.6
98.98428	15.5
99.08059	1.5
105.07000	9.3
107.08554	14.1
109.10127	18.3
109.90800	0.9
111.11664	0.9
119.08514	10.0
121.10101	7.6
123.11670	7.3
124.01579	1.2
125.09544	1.0
127.11143	1.8
131.08524	1.1
133.10074	6.6
135.11623	6.9
137.13197	1.1
145.10114	4.3
147.11661	5.1
149.13240	2.0
155.00996	7.3
159.11662	1.8
161.13203	4.1
163.14720	2.0
171.38370	0.9
173.01971	1.3
173.13177	1.4
175.14742	3.8
176.05217	1.0
187.14720	1.4
189.16345	1.7
203.17950	1.1
207.17392	1.2
216.06244	4.1
263.23572	4.7
306.27765	14.3
337.27252	100.0
351.40085	1.2
411.36224	1.4
412.36530	1.3
429.37421	1.3
430.37369	1.4
460.27975	14.0
478.29541	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	478.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.7
53.03914	2.6
55.01847	2.3
55.05251	1.3
55.05496	27.1
56.03722	1.2
57.03413	3.4
57.07049	8.7
61.02897	2.0
65.95123	1.3
67.05483	30.1
68.51187	1.3
69.03395	17.9
69.07045	34.4
70.07379	1.6
71.04950	6.8
71.08614	1.5
79.05465	29.0
81.03373	6.4
81.07026	76.0
83.04949	11.4
83.08586	22.5
85.02879	19.5
85.06496	9.7
91.05443	19.2
93.07012	100.0
95.01074	1.4
95.04914	7.4
95.08570	75.2
97.02812	5.2
97.06491	26.3
97.10139	6.7
99.04372	2.9
99.08082	1.9
101.02223	1.7
105.07002	28.4
107.04894	2.3
107.08559	72.0
109.02829	2.3
109.06486	7.6
109.10117	57.3
111.08043	8.8
111.11698	3.4
117.06980	2.0
119.08538	25.3
119.20919	1.3
120.10743	1.5
121.03687	1.5
121.06469	8.9
121.10093	44.8
123.04355	1.8
123.07998	3.3
123.11658	52.1
125.05947	15.1
125.09573	6.7
127.03878	2.3
129.05431	8.1
131.08549	5.7
133.06410	1.5
133.10088	24.3
135.08069	2.0
135.11633	17.3
137.05893	1.4
137.09537	2.4
137.13174	3.0
139.07500	53.1
139.11043	1.5
141.21983	1.7
143.06979	7.9
143.08513	1.6
145.10077	7.2
147.11661	20.9
149.09555	7.0
149.13257	17.1
151.11089	2.7
153.09041	12.7
157.08603	3.2
157.10016	3.3
159.07957	1.7
159.11633	6.5
160.11908	1.5
161.13187	11.6
163.03835	2.4
163.11111	5.6
163.14769	6.2
165.09062	7.0
167.10638	7.8
169.04895	5.4
171.11536	2.3
173.13173	1.8
175.14816	2.1
181.04892	6.2
181.12115	10.5
193.12181	7.5
203.17891	34.2
207.13725	2.1
221.18965	16.8
227.18054	1.5
245.18872	3.5
256.65582	1.6
263.19958	28.3
281.21082	13.4
385.38016	1.6
478.24234	3.0
479.18423	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	478.2918
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.00283	0.5
53.03923	0.5
54.26621	0.2
55.01849	1.2
55.05498	21.4
57.03419	15.1
57.05180	0.2
57.07063	3.4
58.34038	0.3
59.04986	0.3
65.03910	1.2
67.05482	44.6
69.03381	0.5
69.07043	29.0
71.04963	0.7
71.08615	1.1
73.41024	0.3
74.38622	0.3
74.95367	0.3
79.05460	11.2
81.07028	42.4
83.04958	1.2
83.08592	12.4
85.06505	0.7
91.05449	7.5
92.08699	1.2
93.07016	11.9
95.04963	0.5
95.08571	33.2
97.06491	2.7
97.10142	4.5
98.06036	0.5
98.98427	1.1
99.08068	0.7
105.07004	5.2
107.08562	7.8
109.06460	0.7
109.10127	10.8
111.08054	1.6
111.11681	0.7
119.08546	4.9
121.10098	4.5
123.08020	0.5
123.11651	3.8
124.01539	1.2
127.03014	0.3
133.10106	4.2
135.11635	2.7
137.09616	0.5
137.13231	1.7
139.11150	0.4
147.11665	2.4
147.51849	0.3
149.13222	1.3
151.14720	0.5
161.13211	1.3
163.14789	0.5
175.14775	1.3
200.14583	0.4
216.06331	0.5
263.23636	0.6
283.62866	0.3
306.27856	2.7
337.27258	100.0
337.86926	0.4
338.27948	0.4
425.33871	0.4
434.10095	0.3
437.34549	0.3
458.82913	0.3
467.35156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.4
56.96517	0.9
61.02907	2.7
69.03399	1.4
70.07227	0.3
73.02864	1.6
81.03358	0.7
81.06989	0.8
85.02888	2.9
91.03912	0.9
91.05417	0.7
97.02831	1.7
99.04404	0.4
100.11159	0.5
105.06976	0.6
107.08524	0.4
109.07578	0.4
118.13845	0.4
136.98206	0.4
141.47559	0.4
162.31461	0.5
168.58340	0.5
174.10330	0.8
182.59840	0.8
183.04378	0.5
183.10840	3.8
184.02718	1.2
184.61870	0.4
187.09837	1.8
192.11469	0.8
193.09875	0.6
196.10435	1.3
201.12737	2.6
201.62981	0.6
202.03867	0.7
202.10446	0.6
205.62685	2.3
206.12825	0.4
210.13228	2.6
210.63289	0.6
214.12201	0.6
214.63219	8.7
214.79391	0.4
215.13432	0.7
219.13226	5.4
219.63412	0.4
223.63731	10.7
224.13831	1.8
228.13771	28.9
228.63893	4.6
232.64301	2.5
237.14281	48.3
237.64449	11.0
246.14815	100.0
246.64951	23.4
247.33415	0.4
248.65144	0.5
264.13602	0.8
265.12100	0.5
282.14804	0.8
283.13226	1.6
355.02588	0.4
355.17935	2.6
356.17496	0.4
373.19138	1.9
460.12683	0.4
477.33005	52.0
478.33270	21.5
491.28848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01842	15.2
55.05487	17.7
57.03400	13.0
57.03653	2.1
57.07054	3.1
59.04965	5.2
67.05478	29.6
67.86257	2.0
69.03397	22.7
69.07053	18.8
71.04962	39.4
73.02858	4.1
75.97832	2.7
79.05453	24.0
81.03370	10.4
81.07019	64.7
83.04969	28.6
83.08593	13.7
85.02872	19.4
85.06508	14.0
87.04429	3.1
91.05447	30.1
93.07005	100.0
95.04949	28.6
95.08576	66.2
97.02843	9.6
97.06488	25.5
97.65939	1.9
99.04412	8.2
99.08077	2.5
105.07000	62.3
107.04951	5.0
107.08564	50.4
109.06473	24.7
109.10126	33.5
111.08055	29.6
113.05947	2.9
115.03888	2.4
117.06982	12.2
119.08524	42.4
120.08002	2.4
121.06472	22.1
121.10104	40.7
121.51750	2.2
123.08022	14.2
123.11626	21.2
125.05862	6.9
125.09583	3.6
127.03807	2.8
127.07497	37.5
129.06927	2.9
129.09068	46.4
131.08548	25.2
133.04845	2.7
133.06490	3.5
133.10089	35.9
135.08011	8.6
135.11641	15.0
137.05937	9.1
137.09544	5.5
139.07489	15.6
142.07684	4.2
142.74010	2.1
143.07059	3.7
143.08487	20.1
145.10072	32.9
147.04346	2.5
147.07980	5.1
147.11642	39.3
149.09572	14.5
149.13229	11.0
151.07500	2.1
151.11151	10.7
153.12766	3.3
156.09357	4.3
157.08698	2.6
157.10042	17.9
159.11620	21.9
161.09532	10.7
161.13188	10.1
163.03760	2.8
163.11104	13.5
165.12708	10.4
171.11600	4.1
173.09529	2.6
173.13164	4.6
175.11131	4.8
175.14748	25.0
177.16272	5.4
179.08556	2.3
183.11569	3.6
185.13171	13.2
187.11331	2.7
189.12727	4.1
193.15828	43.9
199.14859	4.6
203.14221	12.7
205.12152	3.8
221.15247	3.7
227.14227	3.8
245.15244	19.0
245.43228	2.7
263.16336	35.6
274.04532	11.8
277.14191	2.5
281.17374	18.6
287.05188	4.1
291.84985	3.2
295.15320	4.5
299.18451	2.6
302.04074	30.5
302.07126	6.9
303.04935	2.9
313.16452	3.1
317.06448	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56141	1.0
54.41250	0.9
55.01857	6.8
55.05490	7.4
56.85302	1.0
57.03408	1.7
60.05611	1.2
61.02914	1.0
63.02382	0.9
63.89466	1.0
67.05476	10.4
69.03405	7.1
69.07040	6.1
71.04966	7.3
79.05468	28.6
81.03393	5.1
81.07024	35.1
83.04954	8.4
83.30437	1.3
85.02878	4.3
85.06526	8.2
91.05441	21.7
93.07011	77.7
94.07348	1.7
95.04928	9.0
95.08569	14.5
97.02870	2.2
97.06504	10.6
99.04421	13.6
101.05977	1.6
101.97389	1.1
103.05431	1.4
105.04497	1.3
105.06992	35.7
107.04923	10.9
107.08566	37.6
109.02856	1.9
109.06478	26.9
109.10119	4.8
111.04520	1.0
111.08059	5.4
113.05975	2.0
117.06981	5.1
117.54651	1.3
119.04916	2.3
119.08543	28.0
121.06461	35.7
121.10112	15.3
123.04386	2.3
123.08002	2.4
123.11668	1.9
125.05923	2.6
127.03872	2.2
127.07504	9.5
128.06149	1.2
129.05405	1.4
129.06992	7.6
131.04916	2.3
131.08524	14.4
133.06474	4.5
133.10098	15.3
135.04390	10.6
135.07993	17.1
135.11659	7.0
137.05942	7.3
139.07492	1.3
142.07742	5.5
143.08521	16.1
145.06487	1.7
145.10072	15.8
147.04324	1.2
147.08017	9.6
147.11641	40.1
149.09583	1.4
153.09048	1.8
155.08469	1.6
156.09299	6.9
157.06406	1.2
157.10066	21.7
159.08003	1.5
161.05911	2.6
161.09608	5.4
161.13159	9.7
163.11195	4.7
164.95906	1.0
171.08035	1.2
171.11624	30.6
173.09557	12.3
173.13136	2.4
175.11128	24.2
177.16341	2.0
181.10056	1.7
187.75072	1.2
189.12686	30.7
191.10583	1.7
193.12132	4.6
199.11089	22.6
207.13805	10.1
217.12161	55.9
217.14159	2.1
231.06458	8.7
232.06747	10.3
235.13211	100.0
236.13426	1.7
253.14273	26.8
274.07800	6.3
321.13348	5.5
339.14307	17.8
357.15378	2.4
409.32001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.3
53.03920	0.4
55.01870	0.2
56.53622	0.3
57.03412	1.3
61.02904	2.2
66.43047	0.3
69.03410	4.2
70.06553	0.6
71.04948	0.3
73.02888	0.3
77.18971	0.3
81.03381	1.8
83.01369	0.3
85.02875	14.0
87.04418	0.5
91.03910	0.4
91.05428	0.5
92.08663	0.4
95.01273	1.6
95.04906	0.6
97.02855	5.1
99.04414	1.1
100.02148	3.2
103.05394	0.4
105.03354	0.4
109.02842	1.2
111.04406	0.4
112.07549	0.4
112.92427	0.3
119.04877	1.1
120.08059	9.0
121.08423	2.5
123.04383	100.0
124.04756	0.4
127.03858	2.3
131.20032	0.3
145.04922	1.3
147.04398	3.8
158.08057	0.4
163.03757	0.7
166.08546	2.3
167.08907	0.5
168.21265	0.3
173.06055	0.4
175.03938	0.7
177.03903	1.4
189.05428	0.4
191.03342	0.4
193.04956	0.3
201.05489	0.4
299.07504	4.0
316.10110	1.3
396.27762	0.4
478.15219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41228	2.0
55.05491	27.0
57.03414	3.2
57.07048	10.5
59.04951	2.6
62.06050	10.1
67.05143	3.8
67.05482	50.5
69.07046	40.4
71.04952	10.8
71.08607	2.8
72.49155	2.3
79.05461	24.5
81.07026	84.7
82.07330	2.7
83.08585	20.9
84.47431	2.1
85.06512	4.6
86.42751	2.2
91.05444	21.4
93.07009	53.6
95.04923	3.1
95.08574	100.0
97.06477	2.9
97.10111	13.3
98.98412	2.3
99.08043	5.1
105.06994	40.4
106.07269	2.1
107.07893	3.6
107.08571	81.1
109.06435	3.1
109.10119	74.0
111.08070	3.1
114.83560	2.5
117.06964	5.6
119.07745	3.2
119.08540	64.8
120.86173	2.2
121.10104	64.1
123.08098	3.3
123.11655	34.0
125.09525	2.9
127.11160	21.5
129.06938	5.7
131.08527	22.0
132.87360	2.2
133.10092	56.1
135.11647	64.2
137.13176	11.4
143.08481	4.5
145.10091	31.0
147.11642	45.9
149.13217	23.3
152.38277	2.4
157.10083	11.8
159.11632	31.7
161.13177	25.1
163.14726	21.5
171.11566	5.5
173.13208	22.9
175.14764	34.4
177.16287	17.4
179.14281	5.5
183.11589	3.2
185.13231	10.7
187.14752	19.6
189.16322	52.7
191.17876	16.4
199.14774	8.8
201.16319	17.6
203.17880	15.1
207.17404	31.3
211.14716	2.8
213.16319	3.5
215.17905	10.0
217.19389	3.0
243.21022	3.1
257.22598	4.4
275.23505	4.2
283.24002	2.6
287.23615	2.9
337.27216	27.1
374.04959	2.9
411.36035	59.5
423.36179	35.8
428.46463	3.2
429.37091	60.1
441.37384	18.8
459.38574	2.9
477.29575	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	477.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80727	3.8
55.05493	30.0
57.03414	6.9
57.07032	5.5
59.80615	4.1
66.18701	3.9
67.05470	36.7
69.03394	4.6
69.07049	37.3
74.32222	3.8
79.05459	42.4
81.03371	9.8
81.07032	73.3
83.04962	10.1
83.08560	14.4
85.92136	3.4
91.05450	34.8
93.07008	68.1
95.04935	9.9
95.08570	85.9
97.06480	7.4
97.10143	9.9
99.08073	8.4
105.07013	53.8
107.05010	4.5
107.08561	100.0
109.06509	6.5
109.10124	52.7
111.08048	9.7
117.06982	9.7
119.08531	74.4
121.06468	8.3
121.10092	60.5
123.08002	6.4
123.11680	6.9
125.09626	4.8
129.06914	5.6
131.08517	49.2
133.10083	39.6
135.08041	16.6
135.11649	37.0
139.11113	15.0
143.08537	22.0
145.06407	5.2
145.10089	53.2
147.08040	4.4
147.11658	32.3
149.09627	6.0
149.13237	19.0
153.12680	6.5
156.09354	5.3
157.10074	47.4
159.08020	5.7
159.11678	49.1
161.13214	17.0
163.11102	8.8
163.14760	48.2
169.10107	9.7
171.11676	32.9
173.09470	6.2
173.13159	36.3
175.14766	9.7
181.15869	29.1
183.11649	19.3
184.12329	5.5
185.13272	18.5
187.14735	28.8
191.14235	6.9
191.17770	4.4
197.13164	20.4
199.14790	55.8
201.12744	5.3
201.16269	15.4
203.17911	6.7
205.15741	9.0
207.17441	4.8
209.13300	5.8
211.14662	10.1
213.16299	7.5
215.14291	7.7
215.17941	5.2
219.17259	34.2
225.16278	7.3
237.18408	5.7
239.17883	4.1
243.17209	4.7
296.31812	4.9
365.28275	9.7
405.31158	19.7
407.32928	6.3
423.32404	71.8
441.33282	33.1
459.27249	8.6
459.33878	7.7
477.28293	32.2
477.35391	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	477.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40147	2.3
53.31742	2.7
55.01852	4.2
55.05499	31.4
56.96543	4.0
57.03410	2.7
57.07055	6.7
62.22615	2.7
67.05481	41.8
69.07040	43.3
71.04922	4.0
79.05469	45.5
81.03386	6.8
81.07022	69.6
83.04948	18.8
83.08577	12.4
85.02866	5.0
85.06527	5.4
91.05423	31.4
93.07005	81.2
95.04928	12.6
95.08570	75.3
96.08944	3.1
97.02818	3.1
97.06487	6.8
97.10131	24.2
98.91726	3.5
99.08072	20.6
99.98064	2.8
105.06998	64.9
107.04890	3.3
107.08559	100.0
109.06473	12.8
109.10110	33.4
111.08066	5.6
117.06983	18.2
118.44395	2.7
119.08538	86.0
121.06435	6.8
121.10095	55.9
123.08038	13.3
123.11643	15.6
125.09567	15.9
129.06964	7.0
131.08504	46.5
133.10060	44.3
135.07997	6.5
135.11636	41.9
137.09550	6.9
137.13217	3.4
139.11115	15.7
142.07726	7.4
143.08510	25.6
144.09302	3.5
145.10078	57.9
147.11630	23.8
149.09543	6.1
149.13217	14.4
151.11136	3.7
153.12714	5.5
155.08531	6.7
156.09303	11.8
157.10072	38.3
158.10852	3.7
159.11612	60.1
161.09554	4.9
161.13190	18.0
163.11169	10.9
163.14746	67.0
169.10091	15.8
171.11642	25.5
172.17188	3.4
173.13193	23.9
175.14772	13.4
177.12637	3.6
177.16302	6.0
179.14287	5.4
181.15846	32.6
183.11583	11.7
184.12469	4.3
185.13199	15.7
187.14716	21.3
189.16347	15.7
191.14178	6.3
197.13226	21.3
199.14772	55.8
201.16383	17.5
203.17987	4.3
205.15892	4.4
207.17372	11.3
211.14780	17.4
213.16267	14.5
215.14207	11.5
217.15817	6.1
219.17358	38.4
223.14711	4.7
225.16380	5.7
227.17957	4.5
229.15828	4.3
237.16240	3.8
237.18469	11.5
243.17537	3.8
262.49103	3.0
285.10101	3.9
365.28278	12.4
387.17902	3.2
393.31421	4.9
395.32828	11.5
398.67746	3.5
405.31400	21.4
411.32663	3.9
423.32339	73.6
441.33395	32.5
459.34409	15.3
477.28265	27.5
477.35477	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	4.3
55.01859	4.1
55.05489	31.1
57.03415	4.0
57.98558	4.2
61.62648	5.2
62.05284	4.2
63.42255	4.3
67.05490	42.6
69.07049	32.8
79.05467	47.6
80.39597	3.9
81.03384	5.0
81.07029	95.7
83.04948	51.7
83.08593	8.5
91.05451	43.6
92.09388	5.9
93.07017	70.7
95.04931	11.4
95.08558	92.4
97.06457	9.0
97.10138	5.2
105.07008	84.3
107.08566	100.0
109.06496	7.9
109.10126	54.7
110.91444	3.9
117.06943	18.0
119.08546	89.0
121.06432	8.9
121.10124	51.6
123.08018	23.9
123.11667	18.6
125.09605	5.2
131.08476	33.4
133.10078	68.8
135.08009	5.5
135.11642	29.8
139.11134	6.9
141.86948	4.6
143.08495	18.2
145.10072	56.3
147.07954	6.4
147.11641	31.9
149.09514	5.3
149.13152	11.2
155.08582	6.6
157.10052	27.6
159.11667	45.5
161.13239	22.1
163.11176	7.6
163.14771	21.1
169.10089	6.6
171.11604	24.9
173.13190	20.8
175.11052	6.1
175.14755	23.5
179.14175	5.6
181.15781	5.7
183.11641	10.8
185.13208	8.5
187.14708	36.0
189.12541	5.2
189.16254	5.2
191.14220	9.3
197.13292	8.5
199.14754	10.2
201.16270	5.9
203.14178	7.3
205.15747	18.4
213.16302	9.5
217.15862	5.7
219.17422	10.9
222.38530	5.1
235.16893	6.8
337.09052	6.0
405.31146	20.8
411.32278	9.0
423.32556	41.1
441.33374	70.6
459.34415	11.2
477.28149	23.4
477.35522	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	477.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.8
55.01862	16.7
55.05495	65.7
57.03415	20.7
57.07046	1.7
59.04973	3.0
66.88603	1.5
67.05486	58.5
69.03405	12.1
69.07050	25.1
71.04958	9.5
79.05004	2.7
79.05463	75.3
81.03391	100.0
81.06547	2.3
81.07024	62.3
83.04945	16.1
83.08594	36.4
85.02873	21.1
85.06505	2.6
86.03206	2.1
87.00784	7.8
91.04895	2.5
91.05444	58.9
93.07008	43.8
95.04935	47.7
95.08565	33.3
97.02864	6.0
97.06495	15.3
97.10128	35.4
99.04395	2.5
99.08095	1.9
103.05376	1.6
105.01810	2.5
105.06999	50.4
106.99336	1.4
107.04930	26.9
107.08557	33.3
109.02847	2.7
109.06477	16.0
109.10131	15.3
111.08033	9.8
111.08736	1.4
115.05408	7.8
117.06988	18.4
119.04906	3.3
119.08546	36.9
120.08870	3.2
121.06462	35.2
121.10096	17.8
123.04373	2.7
123.08023	14.3
123.11660	6.2
125.09581	22.4
127.03845	2.3
128.06210	2.5
129.06947	23.5
131.04877	8.7
131.08521	24.5
133.06445	14.6
133.10110	24.6
134.10440	9.8
135.04352	1.6
135.07991	9.6
135.11658	11.8
136.11993	7.2
137.09599	3.3
141.06926	6.6
142.07767	5.5
143.08510	14.1
145.06422	20.8
145.10081	14.3
147.04436	1.7
147.07993	14.2
147.11621	14.9
149.05965	1.5
149.09579	11.2
149.13216	6.0
150.13515	1.5
153.09076	5.9
154.07687	1.8
155.08499	7.4
157.06418	2.5
157.10092	15.6
159.08037	6.2
159.11623	6.1
161.05983	2.1
161.09529	3.3
163.11002	5.2
165.12709	1.8
167.08537	2.0
169.06441	2.5
169.10063	6.8
171.07993	7.8
171.11621	7.2
173.09512	2.9
173.13251	2.4
175.11104	13.5
175.14764	10.8
176.15048	10.5
181.10095	1.8
183.11565	1.9
185.09550	3.1
185.13254	2.4
187.11131	1.8
189.09253	1.7
189.11105	6.9
189.12619	4.6
193.12190	26.0
193.15776	12.0
194.16264	10.7
195.07855	2.0
195.11635	2.4
197.09633	2.1
197.13196	2.7
199.11110	3.2
211.13225	1.9
211.16891	11.4
212.17200	14.2
213.12776	2.5
215.14198	3.2
227.12682	7.0
231.13715	2.6
233.15343	9.5
239.14294	1.5
245.15443	2.1
249.14842	2.1
255.13609	2.3
267.15781	46.0
273.14767	8.3
323.19949	2.7
341.21063	7.2
349.21539	3.1
357.23984	2.8
367.22479	20.7
385.23694	30.7
399.22861	1.6
403.24670	11.2
415.24661	2.2
433.25641	22.8
441.25989	2.1
459.21149	3.0
459.27216	66.6
477.28555	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	477.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35160	1.9
53.03936	3.5
54.81211	1.8
55.01847	18.0
55.05241	3.4
55.05492	66.3
57.03419	24.9
57.70095	1.8
58.55880	1.9
67.05476	63.9
67.97008	1.9
69.03395	11.4
69.07045	18.8
71.04954	8.8
79.05453	72.2
81.03383	100.0
81.07018	69.0
83.04942	10.6
83.08584	37.5
85.02885	2.9
85.06497	3.9
91.05439	55.6
93.07004	45.6
95.04918	42.3
95.08567	33.7
95.90676	1.9
97.06484	4.7
97.10124	41.1
99.08051	2.4
103.05453	2.4
105.06997	47.1
107.04910	35.2
107.08553	33.3
107.16527	2.1
108.89026	2.0
109.02866	2.9
109.06474	13.3
109.10133	17.1
109.33623	2.3
111.08041	3.9
115.05443	2.9
117.06968	21.2
119.04874	2.3
119.08519	30.5
121.06467	30.9
121.10107	17.7
123.04369	3.0
123.08016	11.3
125.05934	2.1
125.09583	25.0
129.06953	29.0
131.04926	7.9
131.08513	38.6
133.06474	19.1
133.10056	19.3
135.07999	13.4
135.11670	4.6
141.06924	5.3
142.07680	4.5
143.08493	16.5
145.06407	32.9
145.10074	19.4
147.08028	11.8
147.11633	15.8
149.09557	17.1
153.09097	3.5
155.08472	8.6
157.06499	4.8
157.10062	20.6
159.08035	10.4
159.11667	5.0
161.09566	7.9
165.12683	3.7
167.08490	3.0
169.10094	11.0
171.08041	3.1
171.11601	3.3
173.09528	4.3
173.13179	4.0
175.11122	10.9
175.14639	2.9
183.11627	4.4
185.09554	3.3
185.13170	5.0
187.11185	3.1
187.14845	2.4
189.11140	10.5
189.12476	5.0
193.12140	22.0
195.11638	4.6
197.13107	3.6
203.14240	3.0
212.17145	2.6
213.12706	2.4
227.12686	11.6
233.15257	8.0
237.12552	2.4
249.14746	2.9
267.15793	50.3
273.14810	11.4
323.19778	5.3
341.20984	12.9
349.21725	8.3
357.24072	5.2
367.22455	17.6
385.23492	35.5
403.24442	15.0
415.24307	7.6
433.25668	41.4
441.25998	3.8
459.27213	76.2
477.28162	34.1
477.35016	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	477.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24400	0.4
52.63197	0.4
53.03904	0.5
55.01840	0.5
55.05490	3.1
56.74992	0.4
57.03425	0.5
57.69769	0.4
62.64823	0.4
67.05476	3.7
69.03400	2.0
69.07040	2.1
69.23541	0.5
71.26064	0.5
71.80465	0.4
77.47353	0.5
79.05067	0.5
79.05450	4.1
81.03371	4.0
81.07030	7.6
83.04942	1.1
83.08593	0.9
85.02864	2.0
85.06497	0.8
91.05441	2.4
93.06992	4.8
94.29089	0.5
95.04946	1.9
95.08565	6.0
95.83129	0.5
97.02876	1.9
97.10126	1.1
99.04401	0.6
105.06974	3.6
106.16818	0.5
107.04922	0.6
107.08558	3.2
109.02801	0.5
109.10116	3.1
117.06998	0.9
119.08524	3.1
121.06435	0.8
121.10115	2.8
123.08025	0.6
123.11674	4.3
125.09556	1.7
127.03918	0.5
129.06938	0.5
131.06532	0.4
131.08522	1.2
133.06482	0.6
133.10110	1.2
135.08023	0.8
135.11604	1.0
135.37914	0.5
137.05952	0.6
145.06450	0.7
145.10074	0.6
147.04381	0.6
147.11656	2.0
148.12045	0.6
151.11171	0.9
157.10077	0.6
175.14787	0.9
204.16519	0.5
211.16830	0.7
214.17789	0.5
229.18002	1.8
262.92017	0.6
271.10477	0.6
315.08588	1.0
459.27399	2.5
477.24380	100.0
478.25024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
56.00566	0.3
57.03411	0.4
59.34349	0.2
59.62458	0.2
63.03314	0.2
64.54720	0.3
67.05467	0.7
69.03387	0.4
69.07033	0.6
71.04951	0.3
78.21621	0.3
79.05444	1.4
80.39473	0.3
81.03386	1.5
81.07013	2.1
82.07360	0.3
85.02884	0.7
91.05447	0.7
93.06967	0.7
95.04929	0.5
95.08574	1.2
105.06987	1.5
107.04908	0.6
107.08585	1.5
109.10139	1.3
119.08566	0.6
121.10085	0.4
121.51706	0.4
125.09637	0.4
129.06921	0.4
131.08493	0.6
133.06491	0.4
133.09155	0.4
133.10089	0.8
145.10138	0.4
151.03854	0.4
158.11745	0.3
171.11699	0.4
175.11003	0.5
175.14845	0.4
185.04185	0.3
211.16849	0.4
229.17871	0.5
267.15811	0.4
272.52612	0.3
315.08823	0.4
315.19058	0.3
459.27484	0.5
477.24417	100.0
478.24554	1.5
494.43027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.138
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.76633	0.1
52.31763	0.1
52.53965	0.1
53.03913	0.2
55.01851	0.2
55.05478	0.7
55.42144	0.1
57.03405	0.4
67.05471	1.1
68.99747	0.1
69.03387	0.7
69.07021	0.6
71.04965	0.1
78.49309	0.1
79.05466	0.8
81.03368	0.7
81.07019	2.1
83.04919	0.2
83.08554	0.3
85.02856	0.7
85.06526	0.1
87.00825	0.1
91.05448	0.8
93.07005	2.0
95.04906	0.4
95.08555	1.9
97.02831	0.7
97.06476	0.2
97.10110	0.1
99.00782	0.1
99.04410	0.2
99.08035	0.7
105.01821	0.2
105.06989	1.2
107.08553	1.2
109.02837	0.1
109.06473	0.1
109.10126	0.9
111.08034	0.1
112.01527	0.2
117.06850	0.1
119.04909	0.2
119.08527	1.5
121.06403	0.2
121.10094	1.5
123.08054	0.1
123.11649	1.4
125.09570	0.2
127.00200	0.2
127.03857	0.2
131.08498	0.2
133.06462	1.1
133.10049	1.0
134.07207	0.4
135.04388	1.3
135.11646	0.8
137.05946	0.2
137.09532	0.1
140.00981	0.2
145.04900	0.2
145.10075	0.1
147.04367	0.4
147.07991	0.1
147.11635	0.7
149.09528	0.4
149.13225	0.2
151.11136	0.2
157.10088	0.2
161.05916	0.6
167.06978	0.7
168.00475	2.4
169.12215	0.2
174.06683	0.7
175.07491	0.2
175.14856	0.3
177.16281	0.5
182.07161	0.4
186.01530	2.4
193.15826	0.5
196.24948	0.1
198.06714	0.4
199.07478	0.1
201.05420	0.2
209.05933	2.6
211.16862	0.3
213.05270	0.1
227.06824	0.2
229.04851	0.6
229.17856	0.2
248.06693	0.6
254.05547	1.1
257.04318	2.1
271.05893	0.7
272.06683	1.1
285.03702	1.4
297.04007	0.1
299.05438	1.5
300.06168	100.0
301.06354	0.9
314.04050	0.7
315.08502	96.5
316.08807	0.7
385.23636	0.2
413.99387	0.1
459.27188	0.5
476.23187	0.6
477.24042	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1382
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.00281	0.2
53.03923	0.3
55.01846	0.3
55.05457	0.2
57.03419	4.7
58.03742	0.2
59.04971	0.5
61.02885	1.1
61.82256	0.2
67.01825	0.2
67.05447	0.4
67.68318	0.2
68.99772	0.3
69.03042	0.5
69.03403	12.5
69.07027	0.2
70.03725	0.9
71.01303	0.2
71.04956	0.4
73.02886	1.7
75.04424	0.5
79.05465	0.8
81.03380	1.8
81.07019	0.5
81.28524	0.2
83.04933	0.5
85.02375	0.5
85.02874	11.3
86.03194	0.5
86.09669	0.2
87.04432	6.2
88.04755	0.4
91.03893	0.3
91.05445	0.8
93.06996	0.8
95.08559	1.0
97.02851	8.4
98.03178	0.9
99.04409	0.3
105.06992	2.7
106.07302	0.3
107.04927	3.4
107.08541	0.4
109.02826	0.4
109.10102	0.3
115.03892	6.7
116.04206	0.9
119.08512	0.3
123.23860	0.2
127.03834	1.0
129.06981	0.2
133.04915	5.6
133.06403	2.7
134.05252	0.9
135.04337	1.9
137.02281	0.3
137.05940	3.0
138.06250	0.5
140.99652	0.2
145.04901	1.0
147.07977	0.3
149.05942	0.2
150.07581	0.4
153.01773	4.8
161.02196	0.4
164.79871	0.3
165.09050	4.0
166.09406	1.2
167.03319	0.3
171.02835	0.5
172.04700	0.3
173.60577	0.2
179.03235	0.4
189.08986	0.3
201.05270	0.3
209.04349	1.4
241.04828	0.2
243.06329	0.2
257.04303	0.5
272.06696	26.5
286.04590	0.5
287.05399	64.1
300.06180	50.0
301.07025	1.9
315.08517	100.0
316.08936	0.4
477.09912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.138
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.00269	0.4
53.03910	0.3
55.01822	0.5
55.05478	0.4
57.03417	7.3
58.03737	0.4
59.04954	1.2
60.04481	0.5
61.02897	1.5
61.14684	0.2
67.01830	0.5
67.05450	0.9
68.99737	0.4
69.03403	16.4
69.06995	0.3
70.03708	1.4
71.04939	0.5
72.08104	0.3
73.02885	3.6
75.04432	1.2
79.05427	0.5
81.03381	1.7
81.07030	1.6
83.04929	0.5
85.02872	15.8
85.06505	0.4
86.03164	1.4
86.09660	0.3
87.04433	9.1
87.71112	0.2
88.04755	0.5
89.03873	0.3
91.03897	0.2
91.05431	0.4
92.08704	0.3
93.06988	1.0
95.04899	0.8
95.08528	1.0
97.02852	12.0
98.03147	1.1
99.04390	1.1
105.06992	3.5
106.07314	0.8
107.04911	3.9
107.08521	0.9
109.02797	0.5
109.10113	0.3
111.08049	0.3
115.03887	9.8
116.04173	1.2
119.08496	0.5
120.08014	0.3
121.10085	0.4
123.11589	0.2
125.09590	0.3
127.03825	1.3
133.04927	8.1
133.06436	3.8
133.10022	0.4
134.05223	1.0
134.06754	1.1
135.04364	2.8
135.11581	0.4
137.02295	0.2
137.05933	3.6
138.06271	0.9
139.03783	0.3
145.04887	1.3
145.06427	0.3
145.10013	0.3
147.04369	0.5
147.07936	0.3
150.07550	0.9
151.07822	0.3
153.01767	4.7
157.06430	0.3
159.07948	0.2
159.11633	0.5
161.02269	0.5
163.03795	0.3
165.09033	6.4
166.09407	1.7
167.03293	0.4
171.02869	1.0
176.88969	0.2
189.08983	0.5
207.10153	0.8
209.04332	1.4
241.04787	0.3
241.06982	0.3
243.06523	0.4
258.05258	0.3
271.05872	0.3
272.06674	26.6
285.03812	0.2
286.04651	1.2
287.05386	81.5
288.05737	1.1
300.06165	51.8
301.06888	2.3
303.38287	0.3
315.08502	100.0
316.09018	1.0
359.35464	0.2
386.10388	0.2
477.10098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1382
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.05491	0.3
57.03421	0.2
57.11147	0.2
59.61461	0.1
59.93589	0.1
65.89342	0.2
67.05479	1.2
69.03409	1.1
69.07033	0.3
70.47771	0.1
71.04964	0.1
71.12664	0.2
71.36848	0.2
77.18772	0.2
78.15462	0.2
79.05473	0.8
81.03392	0.9
81.07032	2.6
83.08590	0.3
85.02879	1.2
85.06490	0.2
89.31006	0.1
91.05473	0.7
93.07002	2.3
95.04935	0.2
95.08582	2.7
97.02833	0.2
97.06481	0.2
97.61840	0.2
99.04429	0.3
105.06971	0.7
107.08539	0.7
109.06464	0.2
109.10136	1.0
112.01585	0.2
119.08525	1.4
121.06490	0.2
121.10094	2.2
123.08002	0.3
123.11671	2.2
124.85594	0.2
125.93843	0.2
126.86229	0.2
127.00300	0.2
127.03901	0.3
133.06444	0.9
133.10106	0.9
134.07210	0.2
135.04366	1.4
135.11678	0.7
145.10139	0.2
147.04437	0.4
147.08020	0.2
147.11685	0.2
149.09549	0.3
149.29765	0.2
151.11140	0.3
157.10173	0.3
161.05865	0.3
167.07021	0.9
168.00487	2.7
170.07167	0.2
173.29520	0.2
174.06688	0.3
186.01556	2.3
193.15846	0.2
198.06792	0.4
201.05484	0.3
209.05908	2.0
216.07750	0.2
227.06859	0.2
229.04839	0.2
243.06332	0.2
248.06624	0.2
254.05797	1.3
255.06520	0.2
257.04309	2.3
265.42654	0.2
271.06046	0.6
272.06668	1.0
277.14178	0.2
283.44290	0.2
285.03873	1.0
299.05402	1.2
300.06189	100.0
301.06577	0.8
314.04126	0.4
315.08521	93.6
316.08844	1.1
477.24124	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1382
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.42013	0.2
51.31643	0.2
55.05476	0.6
57.03399	0.3
67.05479	1.2
69.03413	0.5
69.07052	1.0
76.94016	0.2
81.03393	0.7
81.07012	1.7
85.02863	0.3
91.05486	0.7
92.09430	0.5
93.06998	1.2
94.07349	0.3
95.08566	1.2
105.06980	1.3
107.08566	0.6
108.02067	3.5
109.10100	0.5
109.98754	0.3
116.98695	0.3
118.04087	0.4
119.04897	3.1
119.08501	2.0
121.02812	1.8
121.06458	0.5
121.10100	1.1
123.11658	0.3
131.08551	0.5
133.10092	0.5
136.01501	1.9
142.12291	0.3
147.11673	1.4
149.09541	0.3
154.02573	4.4
154.08652	0.3
163.03865	0.5
168.90489	0.3
169.06421	0.5
170.07161	0.5
175.14810	1.1
196.72485	0.3
197.05811	0.4
202.87418	0.3
226.06189	3.9
254.05634	44.8
270.04764	0.3
271.05826	1.1
282.05121	38.9
283.05478	0.3
285.03888	0.7
299.05414	3.0
300.06174	14.3
301.07101	0.3
310.86371	0.3
311.26498	0.3
315.08508	100.0
316.08725	0.5
339.07559	0.3
356.21356	0.3
438.78058	0.3
439.83701	0.3
459.27634	0.3
477.13754	10.5
477.24265	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	477.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	0.4
53.03910	0.3
55.01822	0.5
55.05478	0.4
57.03417	7.3
58.03737	0.4
59.04954	1.2
60.04481	0.5
61.02897	1.5
61.14684	0.2
67.01830	0.5
67.05450	0.9
68.99737	0.4
69.03403	16.4
69.06995	0.3
70.03708	1.4
71.04939	0.5
72.08104	0.3
73.02885	3.6
75.04432	1.2
79.05427	0.5
81.03381	1.7
81.07030	1.6
83.04929	0.5
85.02872	15.8
85.06505	0.4
86.03164	1.4
86.09660	0.3
87.04433	9.1
87.71112	0.2
88.04755	0.5
89.03873	0.3
91.03897	0.2
91.05431	0.4
92.08704	0.3
93.06988	1.0
95.04899	0.8
95.08528	1.0
97.02852	12.0
98.03147	1.1
99.04390	1.1
105.06992	3.5
106.07314	0.8
107.04911	3.9
107.08521	0.9
109.02797	0.5
109.10113	0.3
111.08049	0.3
115.03887	9.8
116.04173	1.2
119.08496	0.5
120.08014	0.3
121.10085	0.4
123.11589	0.2
125.09590	0.3
127.03825	1.3
133.04927	8.1
133.06436	3.8
133.10022	0.4
134.05223	1.0
134.06754	1.1
135.04364	2.8
135.11581	0.4
137.02295	0.2
137.05933	3.6
138.06271	0.9
139.03783	0.3
145.04887	1.3
145.06427	0.3
145.10013	0.3
147.04369	0.5
147.07936	0.3
150.07550	0.9
151.07822	0.3
153.01767	4.7
157.06430	0.3
159.07948	0.2
159.11633	0.5
161.02269	0.5
163.03795	0.3
165.09033	6.4
166.09407	1.7
167.03293	0.4
171.02869	1.0
176.88969	0.2
189.08983	0.5
207.10153	0.8
209.04332	1.4
241.04787	0.3
241.06982	0.3
243.06523	0.4
258.05258	0.3
271.05872	0.3
272.06674	26.6
285.03812	0.2
286.04651	1.2
287.05386	81.5
288.05737	1.1
300.06165	51.8
301.06888	2.3
303.38287	0.3
315.08502	100.0
316.09018	1.0
359.35464	0.2
386.10388	0.2
477.10098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1019
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
50.65562	0.1
52.54364	0.1
54.63962	0.2
55.26440	0.1
59.84474	0.1
64.32207	0.2
81.07005	0.4
85.02848	0.2
91.05399	0.2
123.04333	0.3
124.10246	0.2
133.10039	0.3
137.02168	0.2
139.56911	0.1
149.05978	0.2
153.01720	0.7
193.04678	0.2
229.04778	0.3
258.05145	21.4
284.17239	0.2
286.04623	53.9
287.04916	0.8
301.06970	100.0
302.07364	0.9
401.14810	0.2
477.10120	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	476.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12580	0.2
55.01851	1.1
55.05489	1.5
55.73113	0.2
57.03407	0.4
57.07053	0.6
59.17396	0.2
62.06068	1.9
67.05479	3.2
67.08426	0.2
69.07034	1.9
69.28029	0.2
70.61985	0.2
78.77470	0.2
79.05463	3.3
81.07030	5.1
83.04978	0.2
83.08589	1.3
85.06516	1.5
91.05453	2.1
92.08706	0.5
93.07013	4.3
95.04905	0.3
95.08572	5.1
97.06494	0.9
98.98421	0.8
99.08059	100.0
105.06980	3.1
107.08562	5.8
109.06496	0.4
109.10126	2.7
111.08038	0.3
112.92991	0.2
117.06996	0.5
117.43926	0.2
119.08556	3.7
119.09328	0.4
121.10105	4.0
122.71455	0.2
123.08012	0.3
123.11652	1.3
127.07512	29.4
131.08534	1.5
133.10081	3.4
135.08081	0.2
135.11644	3.5
137.09518	0.3
137.13249	0.3
145.08582	0.6
145.10043	1.9
147.08025	1.5
147.11652	2.3
149.09622	0.9
149.13193	0.5
151.11139	0.3
157.10106	1.1
157.99573	0.3
159.11606	1.7
161.09624	0.4
161.13196	1.9
163.11127	0.9
163.14764	0.5
169.10138	0.3
171.11673	0.4
173.13239	1.2
175.14778	1.1
177.12605	0.2
177.16316	0.4
183.11592	0.3
185.13217	0.3
187.11008	0.3
187.14757	1.3
189.16267	1.6
191.17938	1.0
197.13142	0.2
201.12650	0.4
201.16364	1.2
203.17865	1.7
207.17430	0.4
211.14868	0.3
219.13898	0.4
219.76289	0.2
221.15259	0.3
227.17860	0.4
297.25696	2.3
335.25693	4.4
351.26501	0.4
369.27884	1.1
405.31448	0.4
423.32336	1.7
441.33490	33.1
442.33881	1.0
445.50638	0.3
458.33484	0.3
459.34714	0.5
492.68604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99447	1.6
54.80846	1.8
55.05494	11.7
57.03429	1.8
57.07041	2.4
63.91897	1.8
67.05473	10.5
69.07045	16.4
79.05444	18.9
81.07017	36.1
83.04923	2.5
83.08595	10.7
87.04375	2.1
89.05705	1.8
91.05429	16.0
93.07011	38.7
93.13461	2.0
95.04916	3.3
95.08572	45.6
96.35457	2.1
97.06483	3.1
99.08058	19.1
105.06998	82.7
107.08555	61.5
109.06496	3.7
109.10119	29.1
111.08087	3.2
117.06967	9.7
119.08534	68.4
121.06493	2.4
121.10105	45.7
123.08033	9.3
123.11675	14.3
131.08530	38.2
133.06447	12.1
133.10081	50.4
135.07907	2.2
135.11700	22.4
137.13249	3.8
142.07704	2.5
143.08559	19.7
144.09406	2.4
145.10072	39.0
147.11638	30.1
149.09583	9.9
149.13213	15.9
155.08565	2.9
157.10095	17.7
159.11621	26.9
161.13184	15.2
163.14769	21.2
171.11647	10.5
173.13222	30.0
174.85652	2.2
175.14763	20.2
176.59639	2.4
177.16354	10.4
183.11626	8.5
185.13176	24.8
187.14777	33.2
188.15163	2.5
189.16302	11.3
197.13301	3.8
199.14787	19.2
201.12602	2.2
201.16327	16.5
203.14268	19.7
203.17796	2.5
205.15802	18.2
207.17444	4.5
211.14746	8.3
213.16371	10.8
215.17894	3.0
217.15771	3.1
221.15213	3.1
223.16780	11.9
225.16330	3.1
227.17915	3.0
233.14999	2.4
241.19337	2.7
267.21075	3.4
352.30444	2.6
369.27823	4.3
397.30859	10.7
405.31311	11.7
409.34454	13.7
423.32330	12.6
427.35480	4.6
441.27579	4.2
441.33472	100.0
459.34503	57.2
476.41397	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	476.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	17.9
57.03410	4.7
62.06066	30.9
67.05481	52.2
67.83778	1.7
69.07038	17.6
78.26672	1.8
79.05460	33.1
81.07020	38.1
83.08554	3.9
88.29282	1.7
89.96466	2.2
91.05451	19.7
92.09318	4.7
93.07010	38.6
95.04906	3.7
95.08557	40.7
97.06473	2.8
98.06019	3.6
98.98425	17.4
99.07417	3.6
99.08055	83.0
105.06957	10.2
107.08537	19.6
109.10107	14.3
117.06985	3.4
119.08533	10.8
121.10115	14.3
123.11657	2.6
124.01447	2.0
127.07503	22.0
131.08508	4.3
133.10060	9.1
135.11617	8.7
145.10060	4.0
147.11623	3.5
155.00923	3.4
159.11627	3.2
161.13167	4.6
182.14008	2.0
206.57391	2.2
261.21976	4.1
304.26154	11.2
321.41028	2.2
335.25690	100.0
441.33447	25.9
458.26276	9.6
476.27393	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	476.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.05485	0.7
57.07057	0.9
59.51162	0.6
62.81464	0.6
63.80870	0.5
63.91803	0.5
66.12849	0.5
69.07047	0.9
71.08625	0.8
79.05463	14.2
81.07012	1.3
87.02631	0.8
91.05446	32.2
92.09345	2.4
95.04932	2.7
95.08584	0.8
98.96546	0.6
103.05428	9.2
104.80038	0.8
105.06998	100.0
106.06501	1.0
107.08566	6.8
109.06508	1.1
119.08530	1.1
121.10091	1.6
133.06448	60.3
135.08009	83.0
151.07486	18.9
167.05244	0.9
181.10071	2.6
198.04900	0.8
198.12724	18.6
234.67517	0.8
279.17651	29.1
441.37222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.4
53.03929	1.4
55.01849	0.7
55.05495	17.9
57.03151	0.6
57.03416	14.7
57.07050	1.6
57.29951	0.3
65.03911	1.6
67.05479	56.0
68.49433	0.3
69.03393	0.4
69.06678	0.7
69.07040	15.7
71.04959	0.7
74.23941	0.3
74.43813	0.3
74.45112	0.3
79.05461	29.6
81.07024	48.2
82.07322	0.4
83.04948	1.4
83.08591	5.2
85.06494	1.4
91.04895	0.7
91.05446	13.6
93.07006	31.8
95.04903	3.1
95.08569	36.8
97.06485	2.6
97.10118	1.5
98.06021	0.6
98.98417	0.7
99.08073	1.3
105.04487	0.4
105.06996	10.2
105.45483	0.3
107.08563	14.7
109.06492	2.0
109.10125	13.5
111.08037	0.8
111.11666	0.4
117.06982	2.9
119.08533	7.8
121.10098	10.0
123.08038	1.2
123.11615	2.7
124.01542	0.5
131.08539	5.4
133.10057	4.8
135.11636	6.6
137.09634	0.5
137.13234	0.4
145.10098	2.9
147.11636	3.2
149.13206	2.6
159.11678	1.8
161.13211	1.4
173.13214	1.5
175.14723	0.5
185.37117	0.3
187.14841	0.8
189.16258	0.5
216.06253	0.6
265.29514	0.4
304.26334	1.9
335.25674	100.0
336.26077	1.3
439.31793	0.4
441.33340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01842	1.0
55.05486	2.1
57.03408	0.8
57.07032	0.5
57.99435	0.4
59.85092	0.4
61.02894	1.0
67.05488	1.8
67.21270	0.4
69.03400	6.1
69.07049	3.4
71.04980	3.8
73.02885	0.6
79.05452	1.9
80.47793	0.5
81.03391	6.8
81.07026	7.6
83.08595	0.5
85.02877	16.0
85.48646	0.5
87.00797	5.5
91.05428	3.3
93.07002	6.2
95.04931	0.8
95.08569	14.2
97.02859	6.4
99.04431	2.6
99.08070	3.4
103.09207	0.5
105.01828	4.9
105.07006	9.1
107.04916	3.4
107.08566	12.6
109.02850	4.4
109.06538	0.6
109.10107	1.9
113.09597	1.0
119.08546	49.5
120.08797	0.5
121.10111	2.0
123.04396	3.1
123.08045	0.4
123.11652	4.6
127.03880	7.8
131.08527	0.7
133.10089	100.0
134.10378	0.5
134.43204	0.5
135.11650	19.7
137.09598	0.6
145.04947	2.8
145.10046	0.7
146.10614	0.5
147.11652	3.6
159.02847	2.7
163.03835	0.8
175.14764	71.5
176.15065	0.8
187.03821	0.7
187.09805	0.5
193.15819	14.0
211.16870	13.5
231.04839	0.6
243.83057	0.5
273.19324	0.4
301.06909	0.6
305.81754	0.5
315.08597	4.3
325.06995	2.7
405.77002	0.5
475.82993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.6
53.03919	2.6
55.01846	1.8
55.05275	0.6
55.05496	8.9
57.03415	2.6
57.07049	1.0
61.02899	0.9
67.05473	3.3
69.03403	8.3
69.06681	0.7
69.07041	14.7
71.04945	0.8
73.02884	2.4
74.80568	0.4
76.55742	0.5
79.05457	3.4
81.03388	5.9
81.07026	11.2
81.92634	0.5
83.08588	5.5
85.02876	16.7
85.85692	0.5
87.00811	9.5
91.03909	0.5
91.05450	9.7
93.07016	8.7
95.04953	0.6
95.08573	12.0
97.02843	7.4
99.04404	2.5
103.05416	0.8
105.01838	8.1
105.06995	30.2
107.07880	1.0
107.08561	17.7
109.02856	5.3
109.06500	0.8
109.10115	3.7
117.01874	0.7
117.06975	5.6
119.08538	100.0
120.08870	0.7
121.10113	7.9
123.07967	0.7
123.11631	4.6
125.09558	0.5
127.03864	10.4
129.01846	0.6
131.08525	2.5
133.10089	40.3
135.00124	0.5
135.11652	7.6
137.09526	1.2
145.04930	2.8
145.10095	2.9
147.11641	6.1
159.02827	2.6
160.12434	1.2
173.13181	1.1
175.14760	83.2
193.15848	2.6
211.16876	5.0
231.05038	2.0
249.05963	2.4
251.84424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09764	2.3
51.70469	2.1
53.03924	8.9
54.24861	2.0
54.80645	2.1
55.01853	3.2
55.05497	13.3
56.94730	2.7
57.03420	10.4
57.07041	4.4
59.62032	2.6
61.02902	3.4
64.63293	2.1
66.65552	1.9
67.05480	14.2
69.03403	21.3
69.07046	28.2
70.58551	2.0
71.04958	13.8
73.02885	2.4
73.47855	2.3
79.05473	13.8
81.03368	19.1
81.07030	39.9
83.04948	4.7
83.08603	17.1
84.00219	2.4
85.02874	53.2
85.06515	2.9
87.00801	27.2
91.05456	11.6
93.07005	24.2
93.63486	2.2
95.04941	11.3
95.08572	43.1
97.02844	24.1
97.06498	30.9
97.10129	3.7
99.04424	3.8
99.08070	4.5
103.05423	10.0
105.01833	13.0
105.06994	33.7
107.08559	31.4
109.02869	13.0
109.06474	36.1
109.10140	30.2
111.08109	2.6
113.09562	2.5
117.07034	2.8
119.08531	50.2
121.10100	23.5
123.08031	26.4
123.11638	18.2
125.09586	3.3
127.03853	23.6
131.04877	45.5
131.08501	11.0
133.10088	69.7
135.11642	48.9
136.12944	2.5
137.09599	18.8
145.04924	4.8
145.10123	8.3
147.04367	9.8
147.11682	12.8
149.02293	12.7
149.05936	3.0
149.09454	3.1
149.13208	30.9
150.02641	3.8
153.12712	4.1
157.10068	3.4
159.11591	4.8
173.13103	3.2
175.14742	77.9
175.16182	3.5
193.15800	92.7
211.16875	100.0
211.18880	4.4
231.05060	2.7
297.23895	4.6
476.27548	2.8
476.34103	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	476.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.4
54.80801	0.8
55.01856	4.5
55.05489	6.6
57.03416	5.0
57.07049	3.1
59.04984	3.0
61.02899	4.5
67.05484	7.3
68.99749	0.9
69.03405	19.5
69.07042	17.3
71.04964	10.0
73.02875	4.1
79.05456	7.7
81.03391	18.8
81.07024	21.6
82.07375	1.1
83.04964	1.5
83.08588	12.1
85.02876	40.8
85.06506	3.8
87.00793	25.0
91.05438	13.9
93.07004	20.6
93.28597	0.7
95.04928	7.9
95.08572	22.0
97.02856	17.4
97.06492	16.5
99.04427	7.2
99.08067	4.0
105.01842	14.0
105.07005	15.1
107.04910	1.7
107.08556	23.9
109.02863	11.8
109.06491	13.8
109.10126	14.3
111.08067	3.7
111.11695	1.0
113.09615	1.7
115.07513	3.3
117.01814	1.4
117.06982	1.1
119.08530	25.1
121.10099	16.9
123.08031	12.8
123.11663	35.1
125.09589	3.3
127.03867	16.1
127.07516	1.1
129.01767	1.4
129.07050	0.9
131.08542	3.1
133.06465	1.0
133.10085	36.0
133.11058	1.5
135.08023	3.1
135.11649	44.6
137.09575	7.7
137.13242	1.2
141.12683	1.8
143.08553	0.8
145.04938	5.1
145.10065	3.5
147.11644	7.0
149.13211	18.4
151.11133	18.2
153.12715	3.1
157.10025	1.5
159.02869	6.2
159.11708	1.8
160.12364	0.9
161.05991	1.1
163.11130	0.9
165.12706	3.4
167.14270	1.3
175.14763	39.8
177.16351	1.5
191.14333	1.1
193.15816	31.8
211.16856	100.0
231.04935	1.5
347.13678	1.0
379.20917	1.1
384.22122	1.0
405.18942	1.3
423.20386	1.0
439.31400	1.0
441.21045	1.0
457.32202	0.8
459.22137	5.3
476.27136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.4
54.80801	0.8
55.01856	4.5
55.05489	6.6
57.03416	5.0
57.07049	3.1
59.04984	3.0
61.02899	4.5
67.05484	7.3
68.99749	0.9
69.03405	19.5
69.07042	17.3
71.04964	10.0
73.02875	4.1
79.05456	7.7
81.03391	18.8
81.07024	21.6
82.07375	1.1
83.04964	1.5
83.08588	12.1
85.02876	40.8
85.06506	3.8
87.00793	25.0
91.05438	13.9
93.07004	20.6
93.28597	0.7
95.04928	7.9
95.08572	22.0
97.02856	17.4
97.06492	16.5
99.04427	7.2
99.08067	4.0
105.01842	14.0
105.07005	15.1
107.04910	1.7
107.08556	23.9
109.02863	11.8
109.06491	13.8
109.10126	14.3
111.08067	3.7
111.11695	1.0
113.09615	1.7
115.07513	3.3
117.01814	1.4
117.06982	1.1
119.08530	25.1
121.10099	16.9
123.08031	12.8
123.11663	35.1
125.09589	3.3
127.03867	16.1
127.07516	1.1
129.01767	1.4
129.07050	0.9
131.08542	3.1
133.06465	1.0
133.10085	36.0
133.11058	1.5
135.08023	3.1
135.11649	44.6
137.09575	7.7
137.13242	1.2
141.12683	1.8
143.08553	0.8
145.04938	5.1
145.10065	3.5
147.11644	7.0
149.13211	18.4
151.11133	18.2
153.12715	3.1
157.10025	1.5
159.02869	6.2
159.11708	1.8
160.12364	0.9
161.05991	1.1
163.11130	0.9
165.12706	3.4
167.14270	1.3
175.14763	39.8
177.16351	1.5
191.14333	1.1
193.15816	31.8
211.16856	100.0
231.04935	1.5
347.13678	1.0
379.20917	1.1
384.22122	1.0
405.18942	1.3
423.20386	1.0
439.31400	1.0
441.21045	1.0
457.32202	0.8
459.22137	5.3
476.27136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35129	1.1
53.00297	2.0
55.01843	2.8
55.05475	1.3
57.03146	2.1
57.03417	43.3
57.87729	1.2
59.04977	9.2
59.84518	1.2
60.04510	2.9
61.02896	9.0
63.42059	1.4
66.94909	1.2
67.05482	2.2
69.03401	100.0
69.07047	1.9
73.02880	23.9
75.04453	8.2
79.05456	5.2
81.03381	6.4
81.07019	8.2
83.04958	2.8
85.02876	86.4
87.04437	58.8
91.05456	3.2
92.08584	2.5
93.07007	7.8
95.04936	2.3
95.08578	3.3
97.02852	77.4
99.04397	1.5
105.06998	26.4
107.04948	2.9
107.08559	3.3
109.02863	3.3
109.10120	3.1
115.03889	66.7
115.67030	1.8
119.08543	6.1
121.10114	5.5
123.11654	1.5
127.03886	7.5
131.08620	1.5
133.04919	53.2
133.06436	35.3
133.10088	2.0
137.05923	30.9
145.04935	8.3
145.06508	1.9
145.10172	2.7
147.04343	1.7
147.07974	2.6
150.07593	7.2
153.01797	6.3
157.06412	2.7
159.11647	2.0
163.05991	1.7
165.09047	46.2
175.07484	3.1
175.14847	2.4
177.09085	2.7
181.04953	2.1
189.09050	3.3
207.10126	2.5
223.05882	2.0
246.37688	1.5
272.06714	11.2
287.05392	69.0
295.10312	1.8
300.06198	23.8
301.06863	2.3
315.08490	47.5
471.36221	1.9
474.43445	1.4
475.32391	6.6
476.32599	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	476.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
54.80811	3.2
55.01851	3.4
55.43829	2.5
56.80349	2.7
57.03419	66.2
59.04964	4.6
61.02904	17.4
65.75735	2.6
69.03401	100.0
71.01357	3.4
73.02887	67.7
80.23020	2.4
81.03367	4.8
82.40749	2.5
82.64493	3.4
85.02358	5.2
85.02869	85.1
87.04437	41.6
97.02853	79.4
103.76655	2.5
105.06998	24.1
107.08615	4.1
109.02842	6.6
115.03883	63.7
124.05177	34.0
127.03882	13.2
133.04927	45.5
133.06458	18.4
137.05923	29.7
145.04927	12.2
150.07533	5.0
162.07617	3.5
165.09053	53.6
197.08051	5.3
259.08282	4.7
315.08649	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06824	0.6
50.94724	0.6
53.00285	0.7
55.01857	9.0
57.03424	18.2
59.04973	1.6
59.42033	0.7
60.04492	0.9
60.28536	0.6
61.02907	20.0
66.04743	0.6
69.03405	34.0
71.01326	4.6
71.04970	3.2
73.02888	100.0
79.05467	1.1
79.67969	0.8
81.03380	6.0
81.07033	1.1
84.04471	0.7
85.02875	71.1
87.04430	4.9
91.03922	3.2
91.05436	1.5
93.07011	1.7
95.04918	1.2
95.08572	1.0
96.04429	0.8
97.02855	45.8
99.04424	3.7
103.03890	3.2
105.06998	14.8
107.08543	2.7
107.84664	0.7
109.02843	6.4
109.06472	1.3
113.26327	0.7
115.03889	20.5
117.03352	0.8
119.08540	1.6
121.10091	1.4
124.05159	14.0
127.03857	15.7
133.04929	20.3
133.06453	8.1
133.10089	4.7
135.11679	2.5
137.05930	15.4
145.02831	4.2
145.04927	20.7
145.10066	1.0
150.07607	1.2
163.03906	0.8
163.05980	6.7
165.09059	22.5
175.14784	1.5
177.05414	6.3
177.09052	0.9
178.37627	0.6
187.07434	1.1
201.09027	1.3
211.56143	0.7
223.05931	1.7
241.06961	3.9
243.10052	1.5
259.08060	3.7
261.11087	1.4
277.08728	0.8
323.54724	0.7
347.22546	1.1
377.07584	0.7
476.20456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.7
53.03923	2.0
55.01858	6.8
55.05486	4.4
57.03418	14.7
59.04977	1.2
61.02903	16.6
69.03403	86.9
71.04951	6.3
73.02893	11.4
73.45261	0.8
77.16335	0.7
81.03381	25.5
83.04953	24.1
85.02873	100.0
87.04436	45.3
91.03928	6.9
93.11594	0.8
97.02277	1.8
97.02856	30.4
98.97542	2.2
99.04427	15.9
101.05952	1.7
103.03895	5.2
107.04913	1.7
109.02834	13.3
111.04411	20.9
112.07544	1.3
115.03891	93.4
116.07001	1.1
116.98569	1.9
117.05473	1.6
117.82018	0.8
119.04803	1.0
121.06540	1.0
126.01055	1.1
127.03865	38.7
129.05428	31.9
133.04915	17.5
135.04359	1.6
145.04916	21.0
147.04379	3.5
147.06483	16.0
153.05473	1.3
163.03815	2.2
163.05975	3.4
165.07532	11.1
169.95833	0.9
183.08580	50.2
189.77158	0.9
226.91939	1.0
241.07095	1.7
259.07983	8.3
277.09064	18.9
405.13708	4.4
423.14575	6.4
441.15848	1.2
446.04477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41486	2.1
50.53651	2.2
55.05497	17.8
57.07045	3.4
57.77723	2.0
60.46298	1.9
67.05485	38.8
69.03382	5.1
69.07036	23.7
69.21214	2.3
79.05452	25.8
81.07027	53.5
83.08578	4.9
85.06521	2.6
91.05447	20.3
92.08670	8.0
93.07001	55.1
95.04925	4.3
95.08582	60.0
97.06488	5.1
99.08040	11.1
105.06990	52.3
107.08564	100.0
109.06499	4.7
109.10134	68.2
111.08028	6.0
117.06976	8.5
119.08546	65.6
121.10111	43.2
123.08020	5.9
123.11673	14.1
125.09589	40.1
127.11165	3.1
129.06981	4.3
131.08534	28.3
133.06467	2.4
133.10088	53.3
135.08029	4.9
135.11629	41.4
137.09601	4.2
137.13150	4.7
143.08553	17.5
145.10081	35.5
145.11133	3.3
147.07993	6.0
147.11647	29.5
149.09581	4.9
149.13223	16.3
157.10063	23.4
159.08086	2.8
159.11647	31.4
161.09607	5.7
161.13205	26.2
163.11092	4.6
163.14774	13.5
165.12666	3.3
169.10045	4.5
171.11636	15.7
173.13211	19.2
175.11150	3.2
175.14752	16.4
177.12790	3.0
177.16365	12.6
179.14221	10.6
181.10141	3.4
182.10802	2.7
183.11615	5.5
183.46216	2.7
185.13181	13.3
187.14769	22.1
189.12747	3.4
189.16301	19.2
191.14279	2.7
191.17888	5.6
195.11575	2.7
197.13281	2.9
199.14783	20.3
201.16299	13.8
203.14258	4.3
203.17932	5.5
207.17448	9.5
208.50778	2.7
211.14709	3.9
213.16295	9.9
215.17905	10.8
225.16374	4.1
227.17955	4.1
231.17340	3.3
239.01457	2.7
243.21112	3.2
255.47861	3.0
267.20996	3.0
329.76184	2.8
403.29431	3.4
409.34616	5.3
421.34955	17.3
427.35620	4.0
439.36069	4.6
457.32007	17.7
475.27460	4.8
475.33887	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	475.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.0
57.07048	2.4
57.33783	1.6
57.79190	2.1
67.05478	35.0
69.03401	7.4
69.07044	24.7
71.04950	4.1
79.05458	29.0
81.03405	2.8
81.07021	55.0
83.04964	3.5
83.08581	11.8
85.06554	2.9
91.05433	29.8
92.08729	2.7
93.07012	50.5
95.04934	7.0
95.08567	58.5
97.06494	3.9
97.10181	2.5
99.08057	7.1
103.84377	1.8
105.07000	46.8
107.08557	100.0
109.06494	8.7
109.10120	58.6
111.08030	4.7
117.06973	11.2
119.08541	66.4
121.06465	4.3
121.10104	45.6
123.08028	4.7
123.11659	13.5
125.09595	42.5
127.11153	4.1
129.06956	4.4
131.08516	25.8
133.10072	47.3
135.08017	7.9
135.11624	32.4
137.09567	4.0
137.13193	3.7
142.07642	2.3
143.08511	18.1
145.10065	40.8
147.08035	3.4
147.11676	32.7
149.09576	4.5
149.13248	12.6
151.11198	2.2
155.08499	2.9
157.10104	22.3
159.08028	3.3
159.11636	31.5
161.09579	4.1
161.13185	31.5
163.11131	2.4
163.14778	15.0
165.09103	2.1
169.10071	8.1
170.10831	2.6
171.11647	15.2
173.13171	20.7
175.14748	13.7
177.16356	9.3
179.14302	11.2
183.11705	3.6
185.13147	17.1
187.14767	24.0
189.16302	17.5
191.14238	3.6
191.17880	3.4
197.13260	3.6
199.14761	13.4
201.12805	3.8
201.16351	12.1
203.17862	4.7
205.15820	8.5
207.17459	10.5
209.74785	2.3
211.14839	4.5
213.16304	9.3
215.14244	2.5
215.17902	9.1
217.15730	3.4
219.17447	2.4
223.14738	2.3
227.17969	3.1
238.84242	1.9
241.19345	3.3
251.17888	2.0
253.19536	2.9
260.46326	2.1
403.33661	4.3
409.34604	9.9
421.34613	11.4
427.35498	3.3
439.35785	10.2
457.32959	10.8
475.34106	20.5
487.80377	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3411
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.90088	1.1
55.05494	10.3
57.07059	3.6
58.82872	1.2
62.55508	1.2
65.42513	1.3
67.05492	11.2
68.20638	1.4
69.03410	2.0
69.07047	13.6
71.29849	1.4
75.11652	1.3
79.05464	10.6
81.07030	27.5
83.08607	7.8
85.06525	2.7
91.05442	18.7
93.07009	30.3
95.04956	1.7
95.08572	34.2
97.06493	1.9
99.08035	12.6
105.07002	40.3
107.08566	59.5
109.06509	3.2
109.10111	19.3
111.08092	3.0
117.06970	5.8
119.08538	84.4
121.10107	47.9
123.08028	5.6
123.11655	14.7
129.06934	1.9
131.08531	32.8
133.10095	41.5
133.35536	1.4
135.08060	2.9
135.11656	27.2
137.13234	2.5
141.97469	1.5
143.08546	2.6
145.10081	41.1
147.11650	48.1
149.09525	2.6
149.13237	7.5
151.14819	6.0
153.09100	11.1
157.10086	9.4
158.10905	1.5
159.11659	21.0
161.13194	14.1
163.14783	17.2
167.10582	2.9
171.11642	3.2
173.13220	16.3
175.11153	1.4
175.14781	9.3
177.16333	8.0
179.14142	1.8
181.12140	2.7
183.11629	1.8
185.13206	6.9
187.14755	100.0
189.16347	9.0
191.17862	2.1
197.13174	1.9
199.14777	3.1
201.16345	29.4
203.14273	2.5
203.17867	2.9
205.15810	2.5
209.15269	1.8
211.14830	3.0
213.16319	6.1
215.18083	1.6
219.17299	2.6
223.16859	2.6
227.17924	7.3
237.18396	2.8
351.30362	8.9
369.31564	1.8
393.31424	13.2
411.32428	27.8
429.33560	8.4
439.31509	3.0
441.33560	1.6
457.32828	15.6
459.34653	2.4
475.33469	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	475.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.4
55.05494	6.5
57.03411	1.0
57.07035	0.9
57.35424	0.8
62.17363	0.9
67.05482	8.7
69.03397	1.9
69.07034	7.7
73.31674	1.0
78.28029	1.1
79.05461	15.5
81.07027	17.0
83.04931	1.7
83.08592	4.6
85.06511	2.0
91.05450	10.7
93.07003	26.8
95.04945	1.9
95.08568	31.3
97.06499	5.0
97.10144	1.0
99.04420	1.3
99.08054	100.0
105.06999	26.8
107.08559	33.5
107.09225	1.9
109.06454	7.2
109.10116	13.8
111.08030	4.4
113.05946	4.2
117.06965	3.9
119.07732	2.1
119.08537	42.2
120.08878	1.8
121.06469	3.8
121.09286	1.4
121.10102	29.0
123.08057	7.5
123.11663	5.4
125.09561	1.8
127.07515	25.9
129.06937	2.5
131.08517	23.6
133.06447	1.3
133.09097	1.0
133.10086	28.5
134.54654	1.0
135.08029	7.6
135.11642	13.0
137.09579	4.4
137.13202	1.2
142.07738	1.5
143.08513	9.2
143.46767	1.0
145.10089	25.3
146.10536	1.1
147.07991	6.7
147.11658	17.8
149.09547	13.7
149.13223	5.0
155.08534	2.1
156.09239	1.1
157.10056	10.6
158.10698	1.3
159.11636	19.0
161.09584	4.8
161.13229	13.2
163.11160	2.5
163.14787	2.4
165.09061	5.2
169.10072	6.3
171.11612	7.8
172.12277	1.3
173.13199	17.1
175.14767	7.5
177.12691	1.2
177.16356	1.6
183.11661	4.0
185.13179	10.0
187.11002	1.3
187.14734	13.1
188.15045	1.1
189.12708	3.9
189.16365	5.0
191.14268	1.7
191.17924	1.6
197.13142	2.2
199.14813	7.1
201.16322	6.1
203.14259	1.5
205.15871	6.4
211.14786	5.3
213.16360	5.0
215.14191	1.8
215.17918	1.7
217.15753	2.2
225.16315	1.2
227.17776	1.3
239.17780	1.7
253.19409	1.4
255.20930	1.2
279.20862	1.2
311.23569	1.3
323.23840	1.1
343.26266	1.6
349.25397	1.1
367.01849	1.3
367.26276	1.7
383.87729	1.1
387.25290	1.5
393.31406	1.9
399.28442	1.2
403.29904	5.0
409.30627	1.7
411.32370	1.1
421.30792	13.4
439.31720	23.0
457.32828	23.9
475.34286	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11980	1.9
53.03928	3.5
55.01857	9.9
55.05500	42.8
57.03414	9.8
57.07053	3.6
57.18240	1.8
59.02916	1.6
59.04981	2.7
65.03932	2.3
67.05487	43.8
69.03416	4.0
69.07053	19.2
71.04948	3.4
77.03977	2.2
79.05466	45.8
81.03406	15.5
81.07024	43.0
83.04945	5.6
83.08591	13.6
91.05453	29.5
93.07012	37.3
95.04919	16.2
95.08577	32.4
97.02895	2.0
97.10127	17.5
99.08073	5.0
105.06991	35.0
107.04926	11.3
107.08563	33.4
109.02849	4.9
109.06496	5.5
109.10140	19.6
111.08111	3.8
115.05427	2.8
117.06969	19.2
119.04932	4.2
119.08549	36.4
121.02922	2.2
121.06467	12.1
121.10051	17.5
123.08041	9.5
123.11652	4.5
125.02298	4.2
125.09590	14.7
129.06970	13.4
131.04887	3.8
131.08522	24.9
133.06442	9.7
133.10069	20.2
135.04407	3.3
135.08034	8.9
135.11650	14.7
141.06984	4.8
143.08511	13.8
145.06448	14.6
145.10095	25.2
147.04367	5.2
147.08002	14.8
147.11656	11.5
149.05954	4.7
149.09598	8.5
155.08569	4.5
157.06439	4.5
157.10095	13.1
159.08008	3.9
159.11662	13.2
160.05219	3.1
161.05931	28.2
161.09589	3.3
161.13174	5.2
163.11151	12.5
163.14815	2.9
167.08537	3.7
169.06459	3.1
169.10074	4.5
171.08011	4.5
171.11626	9.8
171.20753	2.4
173.05922	4.3
173.09631	3.5
173.13211	9.8
175.11140	5.0
175.14801	5.2
177.12721	5.3
183.08107	3.6
183.11623	4.9
185.09570	3.3
185.13203	9.0
187.07509	2.9
187.11111	3.0
187.14766	9.7
189.12677	3.3
189.16348	3.1
191.18013	2.3
195.11642	3.5
197.09512	2.5
203.14381	3.3
207.11536	2.4
219.13785	5.3
229.12370	2.6
231.13817	3.2
235.16829	4.9
253.19247	2.4
271.13202	8.9
289.14252	17.3
327.23334	3.1
353.96274	2.2
365.21103	7.1
383.22025	40.7
401.22903	19.4
409.40573	2.3
421.30899	2.9
439.31497	5.1
457.25635	35.0
457.32806	11.1
475.26794	100.0
475.33398	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	475.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
55.01855	10.8
55.05247	2.0
55.05496	37.2
57.03416	8.4
57.07052	1.4
59.31672	1.3
64.32275	1.2
67.05481	39.2
69.03413	2.3
69.07035	14.6
71.04955	5.2
79.05460	43.5
81.03395	12.9
81.07026	46.2
83.04946	6.9
83.08591	17.0
85.02847	1.6
85.06526	2.4
91.05442	34.3
93.07008	33.6
95.04928	22.8
95.08576	33.7
97.06489	2.3
97.10133	20.0
99.08086	1.5
103.05433	2.1
103.99582	1.5
105.06998	39.1
107.04919	14.6
107.08559	33.9
109.02853	8.7
109.06451	9.7
109.10099	21.3
111.04408	1.2
111.08047	5.4
112.06985	1.3
115.05406	2.8
117.06984	20.2
119.04894	3.0
119.08538	34.0
121.06462	12.3
121.10095	17.0
123.04361	1.9
123.08035	8.8
123.11657	3.1
125.02322	7.3
125.09579	9.9
128.06184	5.2
129.06969	12.6
130.07771	2.3
131.04903	9.0
131.08507	25.1
132.08873	1.6
133.06421	10.3
133.10077	20.7
133.58154	1.4
135.04370	2.9
135.08035	9.3
135.11636	9.7
137.05962	2.8
137.09599	2.1
141.06958	6.6
142.07755	1.8
143.08528	14.4
144.72441	1.5
145.06438	15.7
145.10066	28.2
147.04358	9.2
147.07986	14.5
147.11652	14.6
149.05902	2.3
149.09607	10.6
149.13228	7.2
151.11105	1.5
155.08510	7.2
157.06462	6.0
157.10081	13.8
159.04393	1.8
159.08006	9.5
159.11600	16.3
160.05130	2.2
161.05917	34.1
161.09570	6.6
161.13216	6.3
163.07521	1.6
163.11086	10.5
163.14821	5.6
165.06932	1.4
167.08542	6.7
169.06389	3.1
169.10074	6.0
170.10780	2.3
171.08015	7.5
171.11650	6.9
173.05937	7.6
173.09610	8.4
173.13222	12.4
173.97691	1.5
175.07561	2.1
175.11086	3.1
175.14780	9.0
177.12721	2.0
177.16324	1.9
178.65247	1.3
179.08499	1.9
181.10124	2.3
183.07957	2.8
183.11668	7.1
185.05946	2.0
185.09578	3.4
185.13220	8.7
187.07576	2.2
187.11087	2.1
187.14801	9.2
189.09129	2.4
189.11192	5.3
189.16338	8.8
191.14279	2.3
193.10208	1.9
193.12155	1.7
195.08061	2.4
197.09598	8.8
197.13237	2.9
199.11073	1.7
199.14783	5.5
201.09033	1.8
201.12686	2.6
201.16255	2.8
203.14310	6.4
203.17847	1.5
205.12366	1.4
205.15822	3.1
209.13226	1.8
211.11130	1.7
211.14807	2.3
213.12761	2.5
215.10599	1.9
215.14322	5.0
223.11156	1.8
225.12758	2.0
231.13676	6.2
231.30270	1.4
243.13794	5.2
243.17448	1.7
243.21062	2.0
257.15344	1.5
269.15363	1.8
271.13318	8.7
273.14783	7.3
287.16318	2.1
289.14200	19.4
341.20941	1.9
355.22659	7.7
365.20865	10.7
383.21976	45.4
401.23117	19.9
411.32315	3.2
419.24188	1.5
421.23996	2.6
421.30923	7.0
421.55685	1.7
431.24142	3.1
439.24741	7.5
439.31873	11.4
457.25815	49.3
457.32724	9.1
475.26767	100.0
475.33566	8.7
476.27081	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.5
55.01849	2.2
55.05497	7.6
55.78552	0.5
56.96552	0.6
57.03416	8.4
57.07045	0.8
59.04985	0.5
59.38818	0.4
61.02892	1.1
63.74138	0.5
64.32751	0.5
67.05484	9.0
69.03406	18.2
69.07038	5.6
71.04961	4.1
73.02885	2.6
75.04444	5.7
79.05461	15.3
81.03384	14.4
81.07024	13.3
83.04926	4.4
83.08603	0.9
84.68332	0.6
85.02872	14.7
85.06522	3.4
87.04439	0.9
91.05445	21.5
92.09332	1.0
93.07009	98.7
93.50389	0.6
93.75075	0.5
95.04938	7.0
95.08566	10.1
97.02857	8.7
97.06497	3.1
98.97530	0.6
99.04425	3.0
99.08036	2.3
100.23331	0.6
103.03903	0.9
103.05414	2.5
105.04522	0.6
105.06993	18.6
107.04902	3.5
107.08552	13.6
109.02863	5.9
109.06486	3.0
109.10117	7.4
110.10399	0.7
111.04414	1.3
111.08071	6.3
115.05451	0.7
116.04550	0.5
117.06991	6.0
119.04897	5.5
119.08540	58.3
120.08843	0.7
121.06535	4.3
121.10101	100.0
122.10491	1.3
123.04380	0.9
123.08025	4.4
123.11675	3.8
125.02280	0.9
125.05933	0.8
125.09601	2.3
127.03869	4.0
127.07493	0.8
128.06165	0.7
129.05444	2.5
129.06982	2.9
129.09079	1.0
131.04898	4.7
131.08517	9.8
133.06445	3.8
133.10085	10.1
134.10410	2.5
135.08031	1.3
135.11636	5.4
137.05896	0.8
137.09607	2.2
139.11163	2.6
142.07773	0.6
143.08542	3.4
145.04947	2.8
145.06424	0.9
145.10095	5.1
147.04367	16.0
147.07997	2.4
147.11653	6.3
148.12007	1.0
149.02278	1.4
149.05945	1.0
149.09569	20.8
149.13210	0.7
156.09242	0.9
157.06445	0.8
157.10094	3.7
159.04343	3.7
159.07935	1.0
159.11638	3.6
161.05865	1.2
161.13173	1.3
163.03835	1.0
163.11115	1.3
165.09074	1.1
167.10622	17.2
169.06386	0.9
169.10130	0.7
171.04390	0.8
171.11667	1.0
173.05952	1.0
173.13206	3.4
174.13647	0.9
175.11148	1.3
177.05424	6.9
177.12715	0.7
177.16229	0.7
181.06409	1.4
183.08014	1.1
185.05931	0.8
185.13237	2.0
187.14751	2.6
189.05362	0.9
189.16341	1.4
191.14272	2.2
197.05789	0.7
199.07477	3.3
199.11227	0.7
199.14662	0.9
201.16260	1.3
203.14325	1.4
209.09592	0.7
211.07516	0.8
211.10982	0.7
215.06921	1.2
217.15872	0.8
233.23628	0.7
239.10481	0.8
249.12657	1.4
259.20499	2.9
260.20883	1.0
267.13788	1.1
277.12311	0.6
277.21613	2.6
283.15256	1.4
289.14240	0.6
293.13904	4.1
295.13025	1.4
295.22617	1.4
311.14664	1.3
313.14151	2.2
343.41772	0.7
360.04465	0.5
439.31647	1.1
457.18338	2.6
457.32681	1.1
474.74417	0.7
475.14639	2.5
475.21933	2.4
475.28229	1.1
502.80225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.0
57.07072	2.0
67.05475	11.5
69.07034	12.5
79.05418	4.6
81.07028	18.6
83.08582	2.7
86.82262	1.5
91.05451	8.3
93.07001	18.2
95.08569	27.8
97.06487	3.8
97.10134	2.0
101.08852	1.7
105.06996	22.4
107.08555	30.7
107.09219	2.2
109.10114	23.3
114.36284	1.6
119.08538	30.9
121.10107	22.6
123.08028	1.7
123.11670	6.5
125.09531	1.7
131.08537	3.7
132.02614	1.7
133.06436	2.1
133.10114	15.8
135.08029	2.6
135.11655	13.8
143.08559	2.5
145.10063	6.8
147.08009	2.6
147.11633	22.0
149.13248	2.6
157.10097	3.1
159.11655	8.4
161.09615	6.8
161.13168	15.5
163.11197	2.2
163.14830	2.9
171.11559	3.7
173.13235	3.5
175.11153	8.1
175.14774	3.1
177.12897	1.8
184.01231	1.6
185.13445	1.7
187.14748	2.1
189.12651	19.1
189.16353	6.9
201.12726	2.1
201.16295	1.9
205.12234	3.2
205.15790	2.0
213.16394	2.5
217.12187	7.6
217.19484	2.7
219.13704	2.5
231.13721	1.9
368.45761	1.9
403.29895	1.9
415.44046	1.8
421.30768	2.6
439.31668	11.8
457.32941	100.0
464.72879	1.9
474.35922	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	474.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01842	0.9
55.05495	8.6
57.03156	1.2
57.03420	26.4
57.06791	0.9
57.07058	16.8
58.41632	0.5
59.04973	1.3
60.23798	0.6
61.02906	8.1
69.03400	21.3
71.01336	1.2
71.04958	0.7
73.02888	49.9
81.03372	1.6
83.08582	3.9
85.02876	32.1
87.04416	3.7
88.20849	0.7
89.05997	37.3
89.90606	0.8
91.03996	0.7
97.02851	29.7
99.04431	1.6
101.09629	18.4
107.07037	33.0
109.02863	3.6
111.82040	0.7
114.35517	0.8
115.03905	19.3
127.03892	7.0
133.04945	3.2
138.96884	0.6
145.04947	5.9
145.05940	0.6
163.03812	1.1
163.05960	1.3
163.13235	100.0
164.13663	0.7
170.41789	0.7
187.65202	0.9
190.65950	0.8
215.99309	0.7
223.06010	1.3
259.07977	0.8
375.16748	0.8
473.23398	1.1
474.23874	12.9
498.14218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.1
55.01854	4.2
55.05486	10.7
57.03412	4.2
58.68972	1.8
59.01152	1.5
61.02897	3.9
61.81314	1.7
66.13519	1.6
67.05471	11.6
68.61941	1.8
69.03411	26.7
69.07050	21.6
71.04958	8.5
73.02880	3.8
75.89786	1.5
79.05453	12.9
81.03385	21.7
81.07021	24.1
83.04944	2.5
83.08588	6.8
85.02870	53.6
85.06499	4.5
87.00786	20.4
91.05457	20.1
93.07004	25.8
95.04913	3.0
95.08568	29.5
97.02847	24.1
97.06483	12.0
99.04391	8.2
99.08069	7.0
99.77381	1.8
103.05430	2.7
105.01820	12.5
105.06992	59.2
106.07302	3.8
107.04888	2.1
107.08555	30.8
109.02822	13.3
109.10126	20.9
111.08046	3.4
117.01842	2.1
117.06930	7.3
119.07742	2.7
119.08546	57.4
120.05534	2.7
120.08944	2.0
121.06425	3.7
121.10107	19.7
123.04359	2.0
123.11620	3.9
127.03882	25.7
129.06915	3.3
131.04877	4.2
131.08517	56.1
133.10078	67.0
135.04362	7.7
135.08011	2.3
135.11664	7.8
137.09531	2.2
143.08479	7.3
144.09372	2.8
145.02750	3.2
145.04933	4.0
145.10071	29.9
147.07976	2.3
147.11649	55.0
149.05899	2.6
149.09612	2.6
149.13228	7.6
157.10106	4.3
158.10829	7.4
159.02856	3.1
159.11633	10.8
161.09499	2.5
161.13193	4.1
163.03889	17.9
163.14763	2.6
164.04146	2.2
169.10069	4.3
171.11491	3.3
173.13196	65.8
175.14758	100.0
185.13181	3.0
187.14764	7.5
189.12506	2.5
191.14246	35.5
195.11742	1.9
199.14655	2.9
201.16264	2.7
203.14342	2.1
219.13776	2.3
226.09641	8.9
231.04929	3.1
241.19337	2.3
259.09656	3.6
277.21597	4.4
359.14563	2.0
373.05890	3.3
429.57385	2.0
456.12637	2.2
456.31354	2.0
463.20303	1.9
474.14352	50.3
474.32385	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	474.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71235	0.6
53.03928	5.5
54.80571	0.6
55.01850	4.6
55.05494	9.3
55.85997	0.8
57.03410	4.7
57.07058	1.0
59.03658	0.7
59.65085	0.7
61.02905	1.5
62.50545	0.6
63.53418	0.8
64.22322	0.8
67.05463	3.5
68.99789	1.0
69.03404	16.9
69.07040	14.6
71.04955	1.7
73.02882	4.4
79.05459	5.6
81.03389	13.3
81.07030	15.0
83.04995	1.1
83.08572	3.6
85.02879	34.4
85.06504	3.4
85.58688	0.7
87.00799	17.9
91.03928	1.0
91.05453	14.4
91.06382	0.8
93.07010	11.8
95.04958	1.9
95.08575	13.5
96.08886	0.7
97.02857	20.9
97.06490	3.7
97.10097	1.0
98.97554	1.2
99.04414	6.8
99.08064	1.0
101.05954	1.1
105.01834	10.5
105.06999	44.4
107.08567	10.7
108.40298	0.9
109.02845	10.8
109.06495	1.1
109.10149	6.5
111.08047	1.1
115.03922	1.3
115.05419	0.8
117.01777	1.5
117.06986	4.3
119.08540	46.9
121.10088	13.5
123.08030	1.2
123.11653	3.9
127.03867	16.4
129.06967	1.6
131.08524	40.1
133.09079	1.6
133.10081	37.6
135.07977	1.6
135.11636	3.6
142.07712	0.9
143.08490	5.0
144.09334	1.7
145.04930	4.9
145.10080	16.0
146.10744	1.2
147.11636	51.8
149.13202	4.7
157.10086	4.9
158.10860	4.1
159.02837	3.4
159.11653	5.1
161.13184	1.4
163.03906	1.6
165.08905	1.0
165.12770	0.8
165.35564	0.9
168.84027	0.9
171.11621	1.5
173.13193	44.3
175.14758	100.0
185.13162	1.2
189.12677	1.2
191.14215	14.7
202.52608	0.9
259.20676	0.8
377.15851	1.3
474.14322	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	474.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10506	0.8
53.00301	0.9
53.03925	1.9
53.54004	0.8
55.01837	1.1
55.05497	9.7
57.03417	1.7
57.07052	4.4
59.04970	1.4
67.05489	6.3
69.03394	6.6
69.07046	35.1
70.06564	2.0
71.04958	4.6
79.05463	15.7
81.03378	5.7
81.07025	12.9
83.04945	4.4
83.08583	9.7
85.02874	9.5
85.06524	7.4
87.00786	4.2
91.05444	25.4
93.07011	65.0
95.04926	5.7
95.08574	16.4
97.02850	6.0
97.06502	10.0
99.04406	3.4
99.08044	1.6
105.01795	1.7
105.06997	44.2
107.08563	85.4
109.02867	3.4
109.06493	4.0
109.10122	13.3
111.08027	1.3
117.06965	5.4
119.06012	1.0
119.08539	33.7
120.08837	1.3
121.06465	1.5
121.10103	70.9
123.08037	5.2
123.11639	4.0
127.03877	6.4
129.06961	1.8
131.08522	29.9
132.08855	1.0
133.10089	100.0
134.10437	1.1
135.08009	10.3
135.11623	10.9
137.09546	5.0
137.13190	1.2
143.08519	6.8
145.04849	1.0
145.10103	11.8
146.06003	3.4
146.10384	1.2
147.08026	1.5
147.11659	8.4
149.02306	1.5
149.09555	5.0
149.13243	5.9
157.10031	4.2
158.10931	6.9
159.02776	0.9
159.11601	4.1
161.09540	1.1
161.13187	4.2
163.11133	1.7
163.14766	20.4
171.11598	4.7
173.11674	1.5
173.13199	45.7
174.13496	1.7
175.14702	3.1
185.13260	1.0
189.12703	1.1
191.14253	52.2
200.15179	1.2
201.16341	1.0
203.14259	1.5
207.13771	1.2
209.15282	1.3
231.04898	1.9
241.19395	1.0
259.20486	1.4
277.21460	1.5
299.16202	1.1
319.10187	3.2
337.44946	0.8
353.89774	0.9
403.17157	1.1
439.19400	4.2
474.14236	4.9
474.32944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.7
55.01856	6.1
55.05501	4.0
57.03415	5.2
57.07063	1.9
61.02915	1.8
64.32327	0.9
67.05486	7.2
68.52225	0.8
69.03404	72.7
69.07045	12.6
71.04977	3.9
71.75114	0.9
73.02876	1.6
77.50500	1.0
79.05462	7.4
81.03377	13.1
81.07029	11.7
83.04941	6.9
83.08566	1.8
85.02876	26.3
85.06513	4.2
87.00806	12.4
87.04431	1.1
91.05437	7.8
93.06998	18.6
95.04909	2.0
95.08568	19.0
95.82833	0.9
97.02858	11.7
97.06488	5.2
99.04422	5.6
105.01840	5.7
105.07021	10.4
107.04899	1.3
107.08558	30.1
109.02839	9.4
109.06454	9.1
109.10124	7.7
111.04353	1.3
111.08049	4.0
117.06994	4.5
119.08528	13.5
121.06482	10.9
121.10095	20.2
123.08009	5.6
123.11671	9.2
125.09594	26.9
127.03848	9.5
129.06969	1.2
131.08530	12.0
132.85345	0.9
133.10095	16.4
135.07997	19.4
135.11673	9.3
137.05943	1.2
137.09604	1.0
138.97218	0.9
139.03891	4.7
141.06943	1.0
143.08473	1.9
145.04900	4.0
145.10065	20.2
147.04405	1.2
147.11636	16.6
149.09572	10.5
149.13271	7.7
149.52629	1.0
151.11143	2.4
153.09048	7.3
157.10060	2.1
158.10869	2.4
159.02832	4.3
159.11569	2.7
161.09572	2.4
163.03839	3.9
163.11137	6.7
163.14732	4.9
165.12666	2.4
169.12132	1.0
171.11626	2.3
173.13190	30.3
176.11940	1.4
177.05455	2.3
179.06947	1.4
189.12654	1.3
189.16309	1.1
191.14244	100.0
209.15306	80.9
210.15727	1.1
231.05055	1.3
259.20490	1.7
277.14279	1.7
277.21826	1.2
293.33597	1.1
294.89731	1.5
363.21594	1.0
442.95819	1.0
451.47968	1.2
474.14435	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	474.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25481	0.3
52.44520	0.4
55.05492	3.4
57.07059	3.9
61.02895	0.4
62.31708	0.3
63.25363	0.3
65.03900	0.6
66.95574	0.4
67.05473	0.9
69.03387	1.8
69.07037	1.0
70.43732	0.3
73.06519	4.1
79.05438	0.6
79.58670	0.4
81.03391	0.5
81.06998	3.2
83.04914	0.5
85.02883	3.1
85.06499	0.5
91.05447	0.4
93.07005	2.4
95.04926	0.6
95.08550	2.2
97.02875	1.6
97.06487	0.6
99.08037	0.6
105.06977	2.9
107.08553	3.3
109.10104	1.7
119.08543	2.4
121.02810	1.9
121.10117	2.4
127.03849	0.6
131.08543	0.9
132.08704	0.4
133.10074	2.5
135.07990	0.5
143.08527	0.5
145.10083	1.0
147.11650	0.5
149.02298	100.0
150.02654	0.8
151.11191	0.4
159.11636	1.0
161.09578	0.7
161.13220	0.7
164.00865	0.4
167.03349	2.9
168.84991	0.4
171.11607	0.6
173.13141	0.6
174.13548	0.5
185.13200	0.5
187.14677	0.6
191.08521	0.4
205.08536	8.9
223.09584	3.1
277.14374	1.8
295.15372	0.6
455.31815	0.8
456.31845	0.6
473.32388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05499	18.0
57.07061	2.9
67.05486	25.3
69.03415	1.9
69.07040	33.9
79.05473	21.7
81.07034	52.2
82.77449	2.2
83.04958	3.1
83.08587	15.4
83.09669	1.9
85.06539	3.0
86.03621	1.7
91.05439	19.6
93.07019	45.5
95.04920	3.3
95.08573	85.0
97.10156	4.8
99.08044	2.9
105.06998	53.1
107.08561	81.6
109.06516	2.7
109.10130	46.7
111.08057	4.4
113.05978	2.8
117.06972	9.9
119.08535	76.6
121.06430	4.9
121.10111	69.2
123.08002	3.5
123.11689	18.9
128.05128	1.9
129.06972	2.4
131.08536	25.0
133.10081	74.2
135.08046	8.1
135.11644	37.5
137.13249	2.6
143.08519	10.4
145.10083	48.8
147.08034	2.2
147.11661	51.2
149.09596	3.1
149.13225	31.1
153.09070	2.4
155.08539	3.1
156.09311	2.8
157.10089	12.4
159.11642	31.7
161.09592	10.4
161.13216	29.1
163.11148	18.1
163.14767	21.8
169.10042	2.9
170.10797	2.5
171.11630	10.0
173.09435	2.0
173.13164	17.2
175.11127	3.7
175.14754	33.3
177.16345	33.2
179.14191	2.0
183.11632	4.3
185.13179	12.0
187.14767	38.8
189.12689	2.7
189.16327	79.1
191.14307	4.7
191.17873	10.4
197.13213	3.4
199.14767	3.5
201.12706	2.6
201.16310	19.3
203.14168	3.9
203.17899	100.0
205.15836	41.5
205.19489	4.0
207.17384	22.3
211.14731	2.5
213.16354	8.1
215.14343	2.5
215.17856	8.0
217.15912	3.5
217.19467	3.7
219.17380	3.9
221.15387	2.5
223.16771	2.5
225.16290	2.8
227.17737	3.7
229.19484	3.6
231.17273	3.6
235.16992	2.4
249.18422	4.4
252.96202	1.9
253.19623	2.2
391.33588	2.4
409.29776	3.5
409.34567	76.1
437.34442	18.4
455.31161	11.4
473.32144	13.3
473.36899	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	473.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16378	1.5
54.80743	1.8
54.89309	1.4
55.05489	18.9
57.07035	8.7
60.76411	1.4
67.05480	18.6
68.65981	1.7
68.75639	1.6
69.03399	1.5
69.07034	31.1
79.05460	17.6
81.07024	42.8
83.04935	3.4
83.08575	16.6
85.06475	2.4
91.05431	21.2
93.07011	42.4
95.04942	2.5
95.07948	3.7
95.08566	88.0
97.06495	4.5
97.10122	4.1
99.08035	9.3
105.06993	45.8
107.08560	87.5
109.06487	3.6
109.10116	51.3
110.31886	1.8
111.08063	3.4
117.06971	4.3
119.08533	71.0
119.09299	2.8
121.06438	4.2
121.10097	63.4
123.08009	4.7
123.11648	17.0
129.06888	2.6
131.08537	25.4
133.10080	71.1
135.08037	3.8
135.11644	39.4
137.13210	3.2
143.08487	8.1
143.58798	1.8
145.10078	41.8
147.07996	3.4
147.11639	52.8
149.09593	4.1
149.13208	30.7
151.11133	2.3
155.08598	2.6
157.10065	12.3
159.11617	24.2
161.07675	2.1
161.09544	3.4
161.13196	25.2
163.11179	15.7
163.14774	25.3
169.09932	2.8
170.10800	2.7
171.11600	10.8
173.13176	25.5
174.13824	2.2
175.14763	31.4
177.12726	3.4
177.16336	34.0
179.14290	3.2
183.11635	7.2
185.13206	10.9
187.14775	38.9
189.16322	74.9
191.14276	2.5
191.17903	14.9
197.13184	2.6
199.14726	4.1
201.12660	3.1
201.16321	24.4
203.14236	9.3
203.15971	3.5
203.17883	100.0
205.15836	48.9
205.19373	3.6
207.17416	27.8
213.16324	7.8
215.14099	2.4
215.17873	9.4
217.15807	3.5
217.19501	2.3
219.17401	3.2
223.16875	3.2
231.17230	2.9
249.18349	9.9
326.20181	2.0
391.33572	3.6
409.34540	81.8
416.41550	2.1
427.35428	2.3
437.34518	17.4
455.31323	12.0
473.32175	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	473.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20233	3.2
52.59175	3.2
55.05493	29.3
55.81380	3.3
57.07046	13.3
66.91689	2.9
67.05480	25.1
69.06740	3.1
69.07040	38.6
77.34177	2.8
79.05463	30.2
81.07030	61.3
83.04938	5.5
83.08579	25.0
85.06487	5.9
91.05452	26.9
93.07003	69.3
95.04921	17.4
95.08569	98.9
97.06486	22.1
97.10083	3.8
99.08019	12.6
105.06998	82.2
107.08563	100.0
109.06484	13.0
109.10127	53.9
111.08019	15.1
113.05972	14.5
113.09607	4.8
117.06927	6.2
119.08539	93.4
120.13008	3.7
121.06445	15.0
121.10107	79.6
123.08021	4.5
123.11652	21.8
125.09581	5.7
129.06973	6.7
131.08536	38.2
133.06462	3.9
133.10091	79.8
135.07999	16.1
135.11629	40.6
137.09561	12.7
137.13206	7.4
141.06934	3.5
143.08505	18.8
144.09251	4.7
145.10075	54.5
147.08017	7.1
147.11633	60.5
149.09608	16.4
149.13200	25.4
155.08498	6.6
157.10077	23.9
159.08040	8.0
159.11633	44.2
161.09531	15.8
161.13225	36.3
163.11086	6.1
163.14763	23.1
167.10803	4.3
169.10159	5.6
171.11659	7.9
173.09589	6.3
173.13190	35.3
175.11104	14.0
175.14775	35.8
177.12637	4.6
177.16319	23.8
183.11597	6.7
185.13177	16.4
187.11139	6.2
187.14723	31.5
189.12602	12.2
189.16338	90.5
191.14342	7.5
191.17868	5.6
193.19406	4.0
195.11687	6.0
197.13129	5.7
199.11018	3.9
199.14706	5.6
201.12651	8.2
201.16299	22.9
203.14185	8.3
203.17912	68.1
205.15860	33.9
207.17296	7.5
211.14589	4.4
213.16364	6.7
215.14214	4.9
215.17938	6.4
217.15779	4.6
225.16217	5.2
229.15749	6.2
249.18379	7.4
274.85681	4.3
323.70340	4.1
357.27869	6.0
409.34482	49.3
437.34442	5.4
455.35907	25.2
473.32071	32.2
473.36148	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	473.3618
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
51.09893	1.8
51.86591	1.9
55.05490	14.7
57.07048	2.1
60.57230	1.8
62.37183	2.3
65.23069	2.1
67.05476	22.1
69.07040	19.7
70.39532	1.9
71.04974	2.5
74.80686	1.9
79.05453	21.3
81.07029	46.8
83.08583	13.8
91.05437	26.3
93.07003	53.7
95.08571	78.6
96.33134	2.2
97.06500	3.3
97.10099	3.9
99.08070	14.9
105.06991	50.7
107.08557	75.6
109.10130	48.2
111.08039	5.3
117.07014	9.4
119.08537	100.0
121.06467	2.4
121.10108	63.4
123.08010	5.5
123.11674	14.9
125.09553	3.5
131.08537	31.3
133.10069	60.4
135.08029	4.1
135.11658	33.4
137.09547	3.2
137.13144	4.4
139.07536	3.3
142.07755	2.6
143.08488	23.3
145.10068	58.6
147.08009	3.2
147.11635	47.9
149.09619	3.6
149.13229	17.7
151.11142	2.8
155.08478	4.1
157.10057	17.9
158.10886	3.0
159.11627	38.0
161.13185	36.5
163.14796	21.7
167.10672	2.4
169.10135	4.6
170.10782	2.6
171.11612	11.6
172.12489	2.6
173.13200	36.1
175.11200	2.6
175.14758	31.1
177.16376	11.8
183.11604	12.2
185.13176	23.8
187.14757	43.9
189.16306	43.2
191.14334	3.7
191.17928	16.6
193.15935	2.5
197.13155	4.0
199.14702	18.2
201.16310	24.2
203.14232	10.8
203.17902	12.4
205.15860	2.7
207.17365	14.6
209.13235	2.6
211.14793	4.7
213.16287	9.8
215.17929	11.4
217.15855	5.1
217.19522	3.8
221.15324	2.9
225.16302	3.4
227.17885	5.0
233.15216	2.4
235.16824	2.8
247.16881	4.3
249.14400	2.4
249.18463	3.2
355.29846	2.5
391.29846	21.3
409.30716	13.5
409.35379	3.3
419.28952	3.8
427.31857	2.7
437.29471	6.5
437.34131	13.2
455.30545	8.3
455.35410	10.2
472.34671	9.3
473.34836	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	473.3617
Annotation	fatsicarpain E
Peak:m/z	Relative Intensity
53.31562	1.6
55.05489	14.5
57.07053	7.7
59.04979	1.9
61.95236	1.5
63.51777	1.6
67.05478	21.7
69.07039	27.4
74.33784	1.5
79.05463	17.3
81.07023	62.1
81.64723	1.7
83.08585	13.5
91.05450	19.4
93.07007	59.9
94.66553	1.6
95.08568	100.0
97.06544	3.3
97.10124	3.0
105.06989	46.4
107.08554	82.8
109.06479	3.6
109.10116	48.8
110.55178	1.6
111.08040	33.3
117.06992	3.4
118.79443	1.8
119.08543	73.9
121.10104	61.6
123.08069	7.6
123.11675	20.1
131.08507	26.7
133.10089	54.6
135.08054	2.7
135.11647	39.4
137.09610	3.5
137.13235	8.1
139.11156	3.1
143.08549	8.4
145.10089	36.2
145.11111	2.5
147.11642	48.9
149.13173	27.6
151.11238	2.2
153.09084	2.7
157.10146	8.0
159.11633	36.1
161.13210	34.8
163.14760	39.8
171.11685	7.9
173.13162	23.5
175.14716	24.1
177.16348	19.0
187.14738	25.5
189.16309	60.9
191.17943	3.7
199.14861	8.8
201.16322	63.1
203.17896	45.0
205.15833	8.6
207.17456	18.0
213.16409	9.2
215.17877	26.6
219.17503	3.8
221.18939	14.2
227.17986	3.0
229.19495	3.4
233.15308	2.4
241.19405	4.0
243.21080	8.6
247.16916	11.0
249.18454	2.8
255.21066	9.6
257.22565	2.7
261.18417	2.7
265.19345	2.2
269.22635	2.6
301.21872	2.3
331.26135	6.8
346.00708	1.9
349.68594	1.9
357.27957	2.4
371.77805	1.8
391.33444	4.6
397.30685	2.5
409.34567	20.7
425.33786	4.2
427.29694	3.5
427.35522	82.3
437.34082	28.7
455.35181	9.6
473.35303	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3622
Annotation	Wilforic acid C
Peak:m/z	Relative Intensity
55.05504	19.4
57.07058	3.5
60.71619	1.9
67.05486	27.3
68.37270	2.0
69.07044	31.0
71.04953	2.0
74.59979	1.9
76.01661	1.9
79.05450	16.5
81.03345	2.6
81.07026	50.8
83.08600	14.5
85.78557	1.9
91.05441	23.7
93.07008	52.4
95.08569	83.3
97.10170	3.5
98.75562	2.3
99.08076	4.6
105.06992	51.4
107.08561	100.0
109.06500	3.4
109.10130	53.1
111.08038	5.3
113.05953	3.1
117.06986	9.0
119.08539	97.6
120.08885	2.0
121.06490	2.0
121.10095	69.5
123.08023	2.6
123.11674	17.6
125.09560	3.1
131.08528	33.0
132.08842	2.3
133.10085	78.6
135.08002	3.9
135.11646	46.4
137.09613	2.6
137.13252	3.9
139.07506	2.8
143.08533	9.9
145.10086	61.2
146.85107	2.1
147.11664	40.7
148.12004	2.8
149.05920	2.1
149.13213	20.8
151.11125	2.3
153.09109	2.6
157.10112	13.0
158.10693	3.1
159.08022	2.6
159.11664	43.5
160.12138	2.8
161.09660	4.0
161.13200	27.3
161.30180	2.2
163.07463	9.4
163.14742	26.6
171.11647	13.2
173.09558	4.8
173.13165	32.3
175.14769	22.3
177.09084	5.1
177.12718	2.4
177.16351	8.8
179.14278	2.6
183.11620	3.1
185.13213	16.0
187.14755	47.8
188.15277	2.4
189.16330	33.5
191.10585	4.1
191.14221	2.4
191.17880	68.3
191.19452	4.2
197.13220	2.7
199.14795	9.6
201.16319	83.1
203.14294	2.5
203.17905	33.9
205.15707	4.0
205.19360	3.2
207.17435	4.7
211.14780	3.2
213.16324	3.8
215.17996	14.6
217.19354	3.0
219.17369	14.3
227.17905	3.9
229.15816	9.5
229.19485	4.0
237.16476	3.4
241.19472	4.0
245.15434	2.2
245.18394	2.4
247.16805	22.9
259.08344	2.8
261.18448	3.2
285.10141	3.5
391.33493	3.6
409.34344	12.0
427.31528	3.3
437.33984	11.9
455.35507	30.7
472.34628	12.3
473.35635	25.7
479.15131	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	473.3612
Annotation	Odoratone
Peak:m/z	Relative Intensity
55.05487	8.7
57.07049	2.1
57.24105	1.5
60.30505	1.5
67.05472	9.5
67.08627	1.5
68.35754	1.5
69.07045	13.9
70.59048	1.7
71.24203	1.6
77.03951	1.5
79.05457	11.7
79.86604	1.6
80.76696	1.6
81.07026	19.5
83.08589	7.8
91.05430	8.6
92.08698	4.2
93.06991	27.7
95.08562	53.9
97.10126	3.9
100.59319	1.6
105.07002	24.2
107.08551	69.3
109.10101	25.9
119.08528	34.7
121.10088	47.8
123.11660	9.3
124.28577	1.6
125.36868	2.2
128.84244	1.5
131.08493	8.2
133.10078	39.8
135.08018	2.1
135.11642	24.1
143.08484	2.0
145.10085	23.8
147.11647	31.9
149.13214	10.9
153.09122	2.2
159.11621	18.7
161.13191	16.5
163.11113	24.5
163.12344	2.2
163.14774	12.5
170.12015	1.7
173.13191	7.0
173.24692	1.7
175.14716	32.3
177.16298	33.9
179.14128	3.1
187.14745	28.5
189.16307	67.3
191.17810	4.1
201.16302	10.1
203.17845	42.6
205.15794	100.0
205.19505	3.8
207.17339	15.8
213.16263	2.3
215.17830	3.4
249.18364	7.5
249.82144	2.0
295.23978	7.9
313.24951	7.5
391.33444	2.5
409.34531	39.9
427.35297	10.8
437.33893	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	473.3614
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
53.44170	2.8
55.05492	7.2
57.07063	5.4
65.66594	2.8
67.05466	16.0
69.07031	27.5
79.05470	7.9
81.07024	29.5
83.08588	16.8
91.05441	17.5
92.09374	18.2
93.07009	34.8
95.08567	72.4
100.98989	3.4
104.44033	3.1
105.06990	38.3
107.08555	79.0
109.10117	36.8
117.06966	5.7
119.08536	66.8
121.10100	51.5
123.11693	7.7
131.08498	6.8
133.10088	67.8
135.11636	33.8
145.10039	26.0
147.11632	43.7
149.13222	17.3
159.11653	22.1
161.13222	23.7
163.11081	16.3
163.14777	25.4
163.62808	3.5
173.13187	8.6
175.14775	28.4
177.16301	43.2
184.85825	3.2
185.13138	4.4
187.14812	25.3
189.16307	81.8
191.17841	6.3
201.16357	17.9
203.17880	100.0
205.15805	50.8
205.19501	4.9
207.17397	30.3
229.19522	4.5
249.18428	4.8
280.77347	3.4
302.70129	3.4
305.70938	3.7
329.95587	3.8
391.33719	4.4
409.34518	96.9
437.33844	25.1
455.35468	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	473.3616
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05485	9.4
56.33248	2.0
56.68336	1.9
57.07047	3.1
62.03549	2.5
64.92676	1.8
67.05485	18.7
69.07041	14.1
78.03537	2.0
79.05457	15.5
81.07020	30.7
83.08586	11.1
83.99355	1.9
85.06516	2.9
89.44362	2.4
91.05435	16.1
92.08736	3.4
93.07001	49.4
95.08573	69.9
97.10150	4.3
99.08056	29.8
101.03100	2.1
105.07005	48.1
105.83086	2.3
107.08551	77.8
109.10121	39.6
114.35843	2.8
117.07014	3.8
119.08540	100.0
121.10099	64.3
123.08081	2.7
123.11680	13.3
131.08507	46.8
133.10081	72.8
135.11632	43.7
136.73817	2.4
143.08536	5.0
145.10075	52.4
147.11644	81.6
147.12788	4.2
149.09637	2.7
149.13220	15.3
157.10094	12.8
158.10783	2.7
159.11621	43.6
161.13196	26.9
163.14780	15.5
171.11700	3.7
172.12292	4.1
173.13200	27.2
175.14781	14.7
177.16289	4.0
185.13232	8.3
187.14737	60.6
189.16289	22.7
191.17888	98.4
199.14742	3.6
201.16327	83.0
203.17867	27.6
211.14813	2.5
213.16350	3.6
215.17908	13.4
217.19473	10.1
219.17374	12.6
229.19418	5.8
243.20888	3.2
265.17722	2.6
391.33395	5.7
409.34433	41.7
427.35629	10.5
437.33841	11.0
455.35089	79.9
492.46716	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3619
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
54.80933	1.9
55.05496	14.0
57.07064	3.0
67.05479	13.7
69.07052	23.6
72.92333	1.9
79.05447	12.2
81.07037	34.1
83.08595	9.5
91.05445	13.0
93.06998	37.2
95.08572	73.9
97.10137	4.4
99.08047	2.1
105.06995	44.9
107.08557	80.3
109.06467	3.6
109.10111	45.6
110.14742	1.9
117.06979	2.5
119.08543	75.2
121.10102	57.4
123.08030	3.4
123.11662	13.0
131.08545	17.9
133.10080	54.4
135.08011	8.9
135.11641	40.5
143.08519	1.9
145.10060	36.7
147.11655	47.3
149.13219	23.8
157.10085	3.8
159.11603	25.9
161.13194	27.5
163.07475	2.1
163.11145	13.4
163.14780	22.9
166.15021	2.0
173.13191	17.7
175.14760	34.7
177.16318	30.7
185.13240	3.8
187.14767	30.2
189.16318	64.9
190.16733	4.0
191.17894	26.9
197.09958	2.3
199.14801	2.6
201.16325	30.8
203.17902	89.2
204.18245	2.0
205.15834	40.9
205.19148	3.2
207.17438	24.7
213.16347	2.5
215.17894	3.7
217.19476	4.5
219.17429	3.6
223.16754	2.1
229.19418	3.0
247.16850	2.5
249.18535	8.6
254.86600	2.3
295.13336	2.3
378.62988	2.0
391.33255	4.2
409.34467	100.0
427.35278	11.9
437.34143	18.5
455.34927	11.2
473.36490	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	473.3621
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03928	0.6
55.05487	3.7
57.07044	0.7
58.57866	0.4
67.05483	6.2
69.07046	6.1
71.04974	0.5
73.06561	0.5
79.05442	4.9
81.07027	15.7
82.79955	0.6
83.04969	0.6
83.08593	4.2
85.06490	0.9
91.05444	6.0
93.07002	13.0
95.04942	2.2
95.08570	26.1
97.06496	0.9
97.10127	0.8
99.08070	2.0
99.55166	0.4
105.06994	13.3
107.08562	28.1
109.06478	2.8
109.10123	14.4
111.08018	1.1
117.06991	1.2
119.08540	22.0
121.06465	0.8
121.10094	21.5
123.08038	3.3
123.11671	3.6
131.08524	8.4
133.10092	17.0
135.08009	2.6
135.11652	20.7
137.09599	1.9
137.13234	0.9
143.08507	1.2
145.10066	12.0
147.11647	20.8
149.09628	2.1
149.13220	13.0
151.11136	1.0
156.09320	0.7
157.10078	3.0
159.11650	7.9
161.13214	8.0
163.14766	9.3
165.12752	0.9
171.11658	3.2
172.12311	0.8
173.13194	5.7
175.14771	6.9
177.16341	8.7
185.13264	2.0
187.14774	15.8
189.16333	24.7
191.14229	0.7
191.17902	5.5
197.13255	0.9
199.14738	1.7
201.16306	9.5
203.17894	3.3
205.15823	42.2
207.17387	22.6
213.16371	2.3
215.17889	7.0
217.19452	0.7
219.17424	4.2
227.17902	1.2
229.19464	2.9
231.20999	0.7
239.17792	0.7
241.19467	2.3
243.20976	0.5
255.20949	3.6
257.22760	0.5
269.22458	3.6
273.22070	0.7
287.23608	0.7
291.23248	2.1
391.33704	1.0
405.46802	0.5
409.34671	6.7
427.35593	100.0
428.36157	0.9
455.35687	4.1
473.36011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3253
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
55.05497	13.0
57.07068	3.2
61.09696	2.4
62.94855	3.3
67.05494	22.2
68.57063	2.7
69.07040	20.7
71.04958	3.2
71.21340	2.6
73.51265	2.4
76.61077	2.8
77.03865	3.1
79.05472	28.2
81.03400	2.9
81.07037	39.4
83.04958	4.3
83.08608	3.0
85.06532	4.0
91.05428	28.9
93.06995	46.6
95.04926	5.5
95.08574	57.4
97.06470	5.5
99.08050	20.2
105.06997	81.5
107.08564	67.9
109.06496	17.0
109.10138	27.0
111.08061	4.4
117.06225	3.1
117.06989	13.3
119.08545	100.0
120.08889	3.1
121.10107	59.9
121.26353	2.7
123.08038	6.7
123.11681	6.9
128.06073	3.0
129.06938	3.6
129.75169	2.6
131.08533	41.1
133.06456	6.4
133.10086	62.6
135.08031	19.4
135.11665	14.3
137.09595	14.5
137.13339	3.2
142.07748	4.4
143.08542	16.2
144.09369	3.5
145.10077	51.1
146.50060	2.9
147.08008	5.4
147.11658	33.1
149.09560	19.7
149.13222	13.5
151.11151	3.5
155.08560	3.8
157.10100	25.1
159.11630	39.8
160.12082	3.2
161.09576	12.8
161.13208	24.3
163.11148	13.1
163.14792	5.6
169.10101	13.8
171.11639	18.3
173.09651	6.0
173.13135	25.8
175.11151	12.0
175.14764	21.7
177.09016	3.2
177.16417	3.6
179.14159	3.4
183.11691	4.3
185.13249	19.2
187.11145	4.1
187.14813	27.8
189.12683	5.5
189.16304	13.7
189.62288	2.9
191.14201	3.9
197.13240	5.0
199.14816	13.1
201.12733	11.0
201.16365	16.6
203.14296	31.4
203.18065	4.4
205.15788	6.7
211.14737	3.9
213.16356	4.6
221.15395	3.2
225.16341	3.3
229.15895	3.0
277.19333	3.2
397.35861	3.1
419.29239	3.5
437.30240	32.2
455.31189	88.8
473.32483	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	473.3251
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
54.08804	1.4
54.80931	1.6
55.05487	11.0
56.73362	1.4
57.07046	7.6
59.04954	2.0
67.05470	13.2
69.03391	3.1
69.07033	11.7
71.04963	3.2
79.05452	18.8
81.07023	27.4
83.04949	7.9
83.08614	5.7
85.02888	1.4
85.06521	3.9
91.05439	27.6
93.07015	37.3
95.04928	8.5
95.08563	39.9
97.06486	2.2
99.08065	19.2
103.05389	2.6
105.06994	76.5
107.08551	53.5
108.11251	1.7
109.06478	13.3
109.10120	10.9
111.08062	3.6
113.05969	3.0
115.05339	1.6
117.06981	8.0
119.08534	77.7
121.06480	3.5
121.10102	47.7
122.10535	2.1
123.08035	8.3
123.11642	7.1
123.83648	1.4
128.06137	2.2
129.06976	7.9
130.07770	1.9
131.08516	39.6
133.06459	13.5
133.10085	52.9
135.07996	15.5
135.11635	13.1
137.05963	2.0
137.09644	2.6
137.13229	3.1
142.07806	6.2
143.08528	17.0
145.10063	39.9
147.07982	11.5
147.11665	27.3
149.02292	24.1
149.09583	11.2
149.13225	10.3
155.08502	3.4
156.09328	2.6
157.10092	20.0
159.08020	3.4
159.11624	26.4
161.09543	11.4
161.13197	19.3
163.11084	3.9
163.14798	3.4
169.10051	9.2
170.10893	2.7
171.11606	14.8
173.09621	3.7
173.13220	22.3
175.11134	12.1
175.14751	24.1
177.09016	1.9
177.12683	5.7
177.16425	2.3
181.10078	2.3
182.10829	1.7
183.11606	10.6
185.13187	18.4
187.11192	1.9
187.14767	25.8
189.12694	10.2
189.16322	7.0
191.14333	1.8
193.15736	1.9
195.11699	3.9
197.13225	6.6
199.14711	12.6
201.12665	3.8
201.16333	8.5
203.14268	42.1
205.15750	3.9
207.11693	2.8
207.13905	1.6
209.13161	2.7
211.14784	6.5
213.12709	2.6
213.16289	2.0
217.15828	7.1
219.13782	2.9
221.13272	2.0
221.15332	8.1
225.16466	2.2
229.15855	6.5
231.13814	3.9
233.15324	2.2
253.15756	3.2
277.14215	1.8
365.24707	3.3
383.25674	6.1
389.27591	2.0
391.29340	2.1
401.28284	2.7
407.29483	3.9
413.26291	2.0
419.29205	8.2
437.30206	22.6
448.79562	2.1
455.31299	100.0
473.26367	2.8
473.32407	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	473.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21582	0.4
52.75005	0.4
53.03918	1.0
55.01839	0.5
55.05493	4.1
57.03414	1.1
57.07053	5.1
59.02394	0.5
59.04972	2.0
61.02892	1.1
61.62894	0.5
64.81976	0.5
67.05478	20.8
69.03391	7.9
69.07033	1.0
70.06546	0.5
71.04954	0.8
73.02878	1.0
79.05449	1.2
79.93509	0.4
81.03371	3.3
81.07019	3.3
81.29784	0.5
83.04930	2.2
83.08592	0.8
85.02867	11.2
85.06504	12.6
87.00793	6.6
87.04456	0.5
91.05436	2.5
93.07001	8.4
95.04916	2.8
95.08563	100.0
97.02859	4.6
99.04398	0.5
101.46198	0.5
103.03867	0.5
105.01823	4.1
105.06978	6.6
107.08544	7.8
109.02838	2.9
109.06480	2.1
109.10111	2.8
113.05982	6.0
117.06917	0.7
118.72985	0.5
119.04897	0.6
119.08530	15.3
121.02796	0.6
121.06461	0.8
121.10101	7.0
123.08016	27.3
123.11662	2.3
127.03881	7.3
131.08528	2.6
133.10101	2.8
135.11639	10.4
137.09599	2.0
139.07414	0.6
143.01901	0.7
145.04994	0.7
147.08063	0.7
147.11662	4.6
149.09566	31.4
151.07506	0.6
151.14767	1.0
155.10698	0.5
161.02988	0.7
161.13171	8.5
161.14386	0.6
163.11044	3.7
165.12665	4.9
171.11601	0.8
174.10376	2.6
179.14311	2.6
189.12675	12.0
207.13733	33.4
209.10223	0.6
221.05194	0.6
222.63496	0.6
231.04944	1.1
245.04997	0.7
269.12277	2.2
293.12378	2.1
293.17075	2.1
300.01065	0.5
311.18292	2.9
393.92532	0.5
473.13574	0.7
473.23514	26.0
473.29910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.2
55.51348	3.6
56.33537	4.0
56.57113	4.0
57.07048	6.4
59.73483	3.5
61.02910	9.1
66.38780	4.4
67.05474	22.8
69.07034	9.2
79.05460	27.9
81.07018	34.3
81.97466	4.5
83.04967	4.8
85.02875	5.4
91.05443	24.1
93.07000	44.6
95.04915	8.2
95.08567	32.0
96.23301	4.6
99.08064	18.2
105.07005	48.0
107.08558	89.8
109.06483	9.3
109.10136	22.4
111.08025	5.1
117.06957	7.1
119.08537	69.0
120.21557	4.0
121.10090	30.0
123.07985	5.1
123.11637	5.2
129.06955	10.5
131.08554	41.5
133.10072	34.7
135.08063	7.1
135.11650	7.5
137.09605	19.2
143.08513	25.1
145.10110	25.4
147.11674	26.7
151.11172	4.7
155.08591	4.9
157.10083	40.9
158.10765	5.2
159.11633	51.2
161.09639	6.8
161.13213	22.8
169.10063	17.2
171.11685	18.7
173.13190	35.2
175.14665	4.8
181.09993	4.4
183.11667	18.7
185.13188	7.8
187.14658	14.5
188.12096	4.0
191.11298	5.0
197.11655	5.1
197.13254	8.6
199.14790	9.7
211.14845	5.8
213.16164	4.0
221.13144	6.1
223.13043	5.7
227.17989	4.8
235.14775	5.7
301.05457	5.0
365.24911	6.3
367.26224	8.4
383.25650	16.5
391.29678	5.8
409.31201	8.2
437.30341	26.7
455.31467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16063	1.4
54.81511	1.4
55.05487	3.1
57.03413	3.3
57.07023	1.8
57.36289	1.1
59.04975	1.7
61.02913	1.4
67.05475	9.0
69.03390	8.3
69.07060	11.8
71.04959	6.4
71.05679	1.4
73.27654	1.3
79.05460	17.6
80.58791	1.2
81.03374	2.5
81.07026	25.8
83.08578	2.7
85.02866	32.5
85.06503	8.6
87.58749	1.3
91.05455	11.0
92.08728	4.1
93.06998	38.6
95.04922	5.6
95.08569	33.8
97.02264	1.3
97.02867	7.1
97.06487	100.0
97.10150	1.6
99.04395	5.6
99.08051	1.6
105.06997	33.2
107.08556	44.3
109.06468	18.9
109.10129	19.4
111.08046	11.0
113.09609	8.7
117.06997	5.3
119.08530	35.1
121.06473	9.8
121.10094	34.9
123.08017	9.7
123.11647	6.1
125.09602	8.2
127.03936	2.6
129.06961	2.4
131.08501	18.3
133.10081	18.5
135.08015	20.5
135.11644	15.9
137.09557	25.0
139.11157	1.5
142.07668	2.7
143.08551	12.0
144.09248	3.0
145.10092	16.3
147.08009	1.7
147.11638	15.5
149.09515	20.0
149.13269	2.0
152.78456	1.5
155.10597	2.0
157.10100	19.1
159.11621	31.9
161.09552	6.0
161.13173	5.8
163.11098	7.0
165.09065	2.1
169.09988	2.0
171.11597	8.9
173.13193	10.0
175.11139	3.5
175.14749	15.9
183.11641	3.3
187.14784	7.3
197.13171	5.7
199.14795	19.7
201.12714	2.2
213.16400	2.9
215.17851	5.8
217.15866	12.3
227.17850	1.6
229.19518	2.0
233.18871	3.3
235.16789	12.5
239.17879	2.4
257.18896	20.4
263.19955	9.5
272.46655	1.6
275.19949	59.2
293.20999	88.1
472.21719	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08043	1.2
55.01845	2.2
55.05498	14.3
56.96535	1.5
57.03402	2.4
57.07048	3.2
59.04971	2.9
61.02895	3.4
67.05486	17.9
69.02759	1.2
69.03407	16.4
69.07029	9.5
71.04971	10.9
71.08597	1.6
74.80422	1.4
77.60182	1.4
79.05464	14.8
81.03368	2.9
81.07029	37.4
82.07355	1.8
83.04944	9.0
83.08575	8.2
85.02877	25.1
85.06508	15.9
86.72895	1.5
91.05444	15.7
93.07003	33.9
95.04928	16.4
95.07948	2.3
95.08564	50.0
96.08849	1.8
97.02827	9.0
97.06483	6.3
98.97545	3.4
99.04417	9.1
99.08038	1.7
105.06996	30.5
107.08564	33.3
109.02843	2.5
109.06474	11.5
109.10115	18.7
111.04391	1.6
111.08024	8.4
113.05936	1.7
113.09612	20.4
116.98615	2.6
117.06963	6.5
118.56145	1.5
119.08540	39.7
121.06478	2.4
121.10106	38.9
123.08030	7.9
123.11663	6.3
125.09592	2.8
127.03863	6.0
127.07491	2.3
129.06987	2.2
131.04895	2.7
131.08492	16.6
133.10089	32.1
135.08022	22.5
135.11642	11.9
137.05927	2.6
137.09587	16.0
139.11093	2.3
142.07735	3.2
143.08522	16.7
145.04893	2.2
145.10054	21.4
147.07945	3.6
147.11642	23.1
148.12024	1.6
149.05954	2.2
149.09550	15.5
149.13219	6.4
151.11165	2.6
153.09042	3.2
155.08485	2.3
155.10602	2.8
156.09198	1.6
157.10098	17.2
158.10686	2.5
159.11626	24.4
160.11935	1.9
161.09541	13.9
161.13229	2.0
163.03835	2.7
163.11115	6.7
163.14923	1.5
169.10097	2.0
170.10812	1.8
171.11627	10.6
173.13168	14.8
174.13589	1.5
175.11115	9.4
175.14793	6.6
177.08832	1.5
177.12679	2.3
183.11617	5.7
184.12228	2.3
185.13191	1.8
187.14778	6.6
189.12730	2.6
189.16322	2.3
191.14236	2.4
193.12144	6.7
197.13229	3.3
199.14787	22.6
201.12679	8.8
201.16264	2.1
203.17908	2.2
213.16225	2.0
215.17873	2.1
217.15764	9.2
219.13693	24.2
237.14684	11.8
239.17850	3.2
257.18945	15.3
275.19940	49.8
293.20993	100.0
455.26056	9.0
472.31268	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.2
53.03896	0.2
55.01859	0.2
55.05487	10.2
56.05603	0.2
56.05824	2.3
57.03421	0.3
57.07038	0.8
58.80346	0.1
67.05469	0.6
69.03402	1.1
69.07037	3.6
70.06552	2.2
73.02869	0.2
77.04903	0.1
78.04678	0.8
79.05451	0.9
81.03349	0.2
81.07016	1.3
82.06542	2.5
83.04934	1.1
83.06879	0.3
83.08582	10.1
84.08112	0.5
84.08910	2.9
85.02881	1.2
85.06498	0.7
85.08416	0.2
86.06821	0.2
86.09653	0.2
87.04428	0.3
89.60048	0.1
91.05437	1.1
93.06997	0.3
94.06529	0.2
95.04907	0.8
95.08562	0.3
96.08100	0.2
97.02858	0.7
97.06509	0.2
98.09663	1.3
99.04436	0.2
99.09972	0.3
100.07575	3.1
100.11208	52.8
101.07900	0.8
101.10957	1.1
101.11534	19.9
101.46807	0.2
102.11869	0.6
103.05421	0.2
105.03342	0.2
105.06995	0.9
106.04113	0.4
107.04915	1.2
107.08507	0.2
109.02822	0.2
110.05987	1.6
111.04391	5.2
111.06336	0.6
112.04729	1.7
112.07557	2.0
112.11192	0.7
112.28281	0.1
113.04775	0.2
113.07880	0.2
115.03881	0.2
116.01627	0.2
117.13830	1.3
118.14195	0.2
119.04899	0.6
121.06432	1.0
123.03540	0.2
123.04372	3.9
124.05127	1.5
125.07056	0.2
125.13269	0.2
126.09096	1.2
127.08607	1.2
127.09447	0.3
128.07022	3.8
128.08981	0.2
129.07364	1.6
131.04886	0.3
133.04858	0.3
133.06436	0.6
134.03490	0.2
135.04445	0.2
136.07491	0.8
137.05937	0.6
139.08589	2.6
140.07011	1.5
140.08965	1.0
141.07338	0.2
143.14259	1.1
145.02834	0.2
146.05949	0.8
147.04417	0.2
147.11597	0.2
149.05919	1.1
151.03929	0.3
151.07530	0.2
152.04604	1.4
161.05928	0.5
161.15247	0.2
163.08632	0.1
164.14351	0.3
165.05414	0.2
166.06224	0.2
167.06958	100.0
168.07323	0.8
169.14096	0.2
177.05357	0.8
179.06970	0.2
181.08540	1.7
182.15321	13.4
183.15666	12.3
184.15955	1.4
192.13727	0.3
193.08560	2.7
193.14125	0.3
209.07973	0.3
209.14398	0.3
209.16402	10.6
210.14786	10.2
210.16750	11.8
211.07904	0.2
211.09567	7.2
211.15152	12.1
211.17015	1.8
212.15424	2.1
215.13542	0.1
223.09604	0.3
223.63765	0.3
226.19037	3.5
227.09073	0.5
227.17413	0.6
227.19397	3.4
228.14066	1.0
228.15852	0.6
228.17772	0.8
228.19687	0.6
229.16113	0.6
229.65494	0.2
237.14226	1.6
237.64371	0.3
246.14830	3.5
246.65024	0.6
309.27118	0.7
326.27881	1.2
327.28232	3.4
328.28476	0.9
336.23038	0.8
337.22964	2.9
338.23380	1.3
350.82529	0.2
392.68448	0.2
418.32315	0.4
435.33401	0.2
436.33450	6.7
437.33743	3.1
453.34189	0.6
454.34454	50.5
455.34738	27.1
472.31320	0.3
473.23218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69928	1.4
55.05494	14.8
57.03407	1.5
57.07040	2.8
59.04967	1.7
64.96280	1.5
67.05489	12.9
69.03394	3.1
69.07039	27.6
79.05450	16.4
81.07021	38.6
83.04964	6.8
83.08586	15.5
85.02863	3.1
85.06490	3.5
87.31209	1.5
91.05448	23.9
93.06996	36.7
95.04918	3.7
95.08566	59.4
97.06485	2.1
97.10114	2.3
99.08043	8.7
102.70086	1.6
105.06303	2.3
105.06995	56.5
107.04926	1.9
107.08555	82.2
109.06479	7.8
109.10113	24.2
110.26817	1.3
111.08062	2.6
117.06976	8.1
119.08535	100.0
121.06453	2.5
121.10095	61.9
123.08019	3.3
123.11681	14.8
128.06247	1.6
129.06938	2.4
131.08519	44.6
133.10085	50.9
135.08009	2.5
135.11632	30.1
137.09604	2.1
137.13185	2.9
143.08516	8.6
144.09236	2.1
145.10071	70.8
146.10793	1.5
147.07980	2.3
147.11641	76.5
149.09587	3.4
149.13229	13.3
157.10042	12.8
158.10757	3.2
159.11632	46.4
161.09547	2.5
161.13187	21.2
163.11119	24.1
163.14742	12.1
169.10040	2.2
170.10770	3.2
171.11626	12.2
172.12369	3.1
173.13202	31.4
175.14751	45.3
177.12744	2.8
177.16310	40.4
179.10762	1.7
183.11601	5.5
185.13129	10.8
186.13977	2.4
187.14755	56.1
189.12766	3.0
189.16312	41.1
191.14163	2.0
198.14050	1.8
199.14725	8.8
201.16319	96.1
203.14249	1.7
203.17833	10.9
205.15808	92.3
207.17345	8.6
211.14722	1.7
213.16289	6.7
215.14365	1.8
215.17831	9.3
217.12151	7.4
217.15823	1.7
217.19458	3.3
219.17390	9.7
223.16893	6.2
225.96976	1.6
227.17819	2.4
241.19482	1.9
247.16864	5.6
275.19992	2.3
353.28180	3.5
389.31830	2.9
407.32953	42.7
425.33871	19.5
435.32358	9.5
437.19638	1.7
453.33496	6.8
471.25058	2.2
471.30032	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	471.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.05495	19.1
56.96555	2.3
57.03404	3.9
57.07047	3.9
59.79945	1.8
61.23806	1.4
65.03911	1.6
67.05481	17.5
69.03403	3.8
69.07039	32.8
71.04953	3.2
78.95934	1.6
79.05452	22.3
80.05814	1.7
81.07027	47.2
83.04944	9.6
83.08573	13.5
85.02860	7.5
85.06529	2.8
91.05438	34.5
93.07011	46.7
95.04917	10.8
95.08569	82.9
97.02877	2.3
97.06468	10.3
97.10123	8.1
99.08036	4.4
103.05427	6.8
105.07005	70.8
107.04922	7.0
107.08555	82.4
109.06482	3.9
109.10123	40.2
111.08043	7.6
111.54534	1.6
113.06000	3.4
117.06982	14.0
119.04907	2.4
119.08534	100.0
121.06414	2.6
121.09270	3.6
121.10103	69.4
123.08031	3.5
123.11652	9.8
125.09576	2.4
127.03849	2.3
128.06079	2.4
129.06969	3.6
131.04898	29.8
131.08510	49.3
133.06590	2.0
133.10081	80.5
134.10423	10.6
135.04308	2.4
135.08008	9.9
135.11661	30.6
137.09578	10.8
137.13185	1.9
139.07487	1.9
143.08540	13.4
145.06461	2.7
145.10072	74.3
145.11220	2.6
147.08003	24.4
147.11646	50.2
149.05928	13.7
149.09589	4.2
149.13194	19.6
156.09291	3.5
157.10092	17.3
158.10832	3.4
159.08047	2.0
159.11639	59.3
161.09546	3.1
161.13193	42.3
163.03867	14.7
163.11116	22.1
163.14769	23.4
164.04152	2.3
169.10106	3.5
171.11626	12.8
172.12340	3.0
173.13185	28.3
175.11139	3.4
175.14771	37.7
177.12706	3.7
177.16324	29.4
183.11565	7.6
185.13165	4.0
187.14748	51.3
189.12657	10.0
189.16324	37.1
191.14212	2.5
191.17870	3.3
197.13210	3.1
199.14696	7.8
201.12682	9.3
201.16318	91.1
201.18211	3.0
203.14185	3.7
203.17860	26.8
205.15817	81.8
207.13762	3.6
207.17340	4.2
213.16356	8.0
215.17896	3.9
217.15834	7.4
219.13718	11.4
219.17427	7.0
223.16931	9.8
229.15900	2.3
229.19339	3.5
231.17332	2.7
241.19400	4.2
243.09128	1.9
247.16803	8.2
254.00768	2.5
259.20404	2.4
260.09818	2.2
269.22275	2.3
292.19653	4.0
389.31656	4.1
407.33179	16.3
409.34564	4.0
425.34369	13.4
435.32404	9.4
453.28839	2.4
453.33994	3.0
471.25320	5.0
471.30453	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.346
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.97243	5.5
55.05492	46.4
56.96533	9.8
57.03408	6.3
57.07029	10.0
57.62032	5.4
58.54513	7.7
61.02898	7.6
62.90860	5.5
65.03916	7.3
67.05495	45.4
69.03406	7.8
69.07043	28.5
78.57853	6.8
79.05461	31.0
81.06624	7.0
81.07027	70.7
83.04970	6.1
83.08593	14.0
91.05445	35.2
91.84563	6.1
93.06994	63.2
95.08579	98.1
97.02818	7.7
97.06491	9.1
105.07003	77.7
107.08562	88.9
109.10127	48.2
113.05975	6.7
117.06920	10.0
119.08537	100.0
121.10112	66.7
123.08018	9.5
123.11678	15.4
131.08498	34.5
133.10072	73.1
135.11687	51.4
143.08492	9.6
145.10068	68.2
147.11659	28.7
149.13225	11.8
157.10075	26.3
159.11676	47.7
161.13213	33.9
161.47578	6.8
163.14757	15.1
169.10028	8.8
171.11656	7.8
173.13295	23.4
175.14774	37.8
185.13188	40.1
187.14775	31.9
189.16237	52.2
191.17928	7.6
199.06427	7.0
199.14767	14.8
201.16368	44.6
203.14299	42.4
203.17924	9.8
205.15791	10.3
207.17409	13.1
213.16298	9.5
217.07347	10.2
227.17931	7.2
283.08478	8.2
323.10391	10.3
391.64587	6.6
407.32755	12.7
424.54385	7.7
425.33960	60.0
428.42627	7.2
435.32556	11.0
453.33612	11.9
471.34564	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3458
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.57924	2.5
53.85112	2.9
55.05500	22.2
57.07045	18.1
67.05471	21.5
69.07041	22.1
77.53848	3.4
79.05460	21.3
81.07019	45.3
83.08587	18.5
87.93201	3.9
91.05441	13.9
92.63633	3.5
93.07014	48.9
95.04929	3.3
95.08572	74.3
97.10149	3.3
99.08099	4.4
105.06998	49.7
107.08556	85.9
109.06474	5.0
109.10103	49.0
110.31452	3.5
113.09666	3.3
117.06982	4.5
119.08536	99.6
121.10076	79.2
123.08027	6.6
123.11643	34.6
125.09543	2.9
131.08496	38.9
133.10078	82.4
135.11632	39.4
137.09552	4.1
137.13266	7.5
143.08537	20.2
145.10080	75.5
147.11629	52.8
149.09546	5.3
149.13188	27.6
151.11162	3.7
151.14755	5.6
155.08546	5.2
157.10049	26.7
159.11626	53.8
161.09540	4.0
161.13155	36.8
163.14772	21.3
169.10149	4.0
170.10814	3.7
171.11601	7.9
172.12276	3.8
172.60864	3.4
173.13162	32.4
175.14763	41.8
177.16306	19.4
183.11667	6.1
184.12379	3.3
185.13170	31.0
187.14748	49.1
189.16328	34.1
191.17876	5.6
193.15797	6.9
197.13226	5.9
199.14774	26.1
201.16309	56.9
203.14226	23.7
203.17931	19.3
205.15877	6.4
207.17412	3.8
213.16351	7.4
215.17873	15.2
217.15735	4.6
219.17377	14.5
225.16400	4.1
229.19414	7.0
231.17339	3.9
235.16768	5.5
239.17856	4.6
247.16873	7.8
249.14769	16.2
253.19405	6.9
266.06577	3.6
267.21207	3.3
275.08353	3.3
389.31870	4.9
395.29431	4.4
407.32919	45.9
425.34091	24.5
435.32379	39.4
453.33478	35.9
471.34528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3461
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03911	1.3
55.05483	10.3
57.03434	2.0
57.07053	2.7
57.95950	1.3
67.05468	10.4
69.07044	14.1
69.09222	1.5
75.51183	1.7
79.05459	12.8
81.07014	27.0
83.08588	6.9
86.52720	1.5
91.05438	13.4
93.07000	43.4
94.07355	2.0
95.04939	2.6
95.08566	46.1
97.10148	2.1
99.08045	16.5
105.06994	34.1
107.08553	68.2
107.09228	3.5
109.10112	23.6
111.08068	2.3
117.06981	6.8
119.08531	52.4
121.10104	30.3
123.08028	2.3
123.11668	12.2
125.09503	2.4
129.06989	2.7
129.59804	1.8
131.08525	27.4
133.10077	34.8
135.08058	2.2
135.11661	21.5
137.13226	2.5
142.07663	2.1
143.08493	17.9
145.10075	31.7
147.07965	2.0
147.11638	49.7
149.13205	6.8
149.91362	1.9
155.08508	3.2
157.10063	28.7
158.10846	2.4
159.11635	32.4
161.13196	27.3
163.11006	1.9
163.14787	9.1
169.10036	8.6
171.11586	25.1
172.12234	1.5
172.77740	1.7
173.13185	32.3
175.14775	13.4
177.16251	2.7
179.14252	3.1
183.11603	22.3
185.13185	18.8
187.14745	25.6
189.16327	16.7
191.17917	2.9
195.11649	1.9
197.13136	16.7
199.14751	33.0
201.16336	18.0
203.14349	1.8
203.17853	8.7
205.15839	6.5
209.13225	2.9
211.14699	9.1
212.15250	1.8
213.16290	16.3
215.17896	7.2
217.15799	2.9
223.14650	2.4
225.16292	2.8
227.17847	6.8
229.19366	3.1
231.17369	2.2
239.17805	2.3
241.19426	3.4
244.35423	2.1
245.18889	3.1
251.17755	2.9
253.19453	7.7
255.20871	2.7
267.20938	8.0
269.18796	2.2
271.20532	8.4
285.22125	16.8
294.40402	1.8
311.23746	2.2
335.26993	6.7
353.28119	12.6
377.66232	2.0
389.31793	2.6
391.97769	1.8
407.33035	30.6
425.34000	100.0
435.32883	2.7
453.33704	22.5
471.21243	2.5
471.34579	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	471.3459
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.95343	3.5
53.27112	3.6
55.05485	23.1
57.01745	3.7
61.40482	3.5
67.05465	18.3
69.07028	16.7
79.05460	18.5
81.07025	39.5
83.08600	5.4
88.80968	4.7
91.05429	16.7
92.09353	13.6
93.07016	39.9
95.04916	5.5
95.08569	79.6
97.06481	6.0
105.06994	56.9
107.08554	81.7
109.10115	37.7
117.06981	7.1
119.08543	83.8
121.10118	57.0
123.08045	5.3
123.11654	17.7
125.09472	4.8
129.06894	4.6
131.08528	34.2
133.10097	63.3
135.11665	48.1
143.08516	7.4
145.10088	47.8
147.11652	36.9
149.13239	15.7
157.10074	9.4
159.11623	39.7
161.13217	23.4
163.14757	25.8
171.11575	16.6
173.13173	33.8
175.14690	29.6
177.16348	14.9
187.14778	48.1
189.16315	66.2
191.17885	7.1
199.14670	5.6
201.16347	55.8
203.14261	7.8
203.17908	7.5
207.17328	6.7
209.61252	4.4
213.16280	16.8
215.17889	16.3
219.17453	5.6
235.16815	7.3
247.16895	4.3
251.17906	6.2
283.24402	5.2
309.25879	4.8
337.45294	4.1
407.32806	28.8
425.33911	15.6
435.32199	9.0
453.33334	25.9
471.34604	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	471.3457
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.39127	0.3
51.84877	0.4
55.05487	2.6
56.18998	0.4
57.07049	1.0
67.05479	4.1
69.07028	4.2
79.05461	2.4
81.07021	7.8
83.04940	3.7
83.08590	2.1
83.99203	0.4
91.05444	2.1
93.07007	8.6
95.04927	1.1
95.08565	13.1
97.06492	2.0
105.06994	12.1
107.08557	15.1
109.06484	2.1
109.10116	7.1
111.08043	0.9
117.06937	0.6
118.24340	0.4
119.08525	15.3
121.06441	0.9
121.10091	10.2
121.10882	0.7
123.08038	0.9
123.11669	4.2
131.08542	2.7
133.10088	8.6
135.08022	0.9
135.11618	9.1
143.08516	3.1
145.06404	0.6
145.10048	4.4
147.08006	2.0
147.11630	6.7
149.09579	2.2
149.13222	3.3
151.11191	0.5
153.09056	0.7
155.08441	1.0
157.10095	4.8
159.08026	0.7
159.11638	3.9
161.09550	6.4
161.13220	2.6
163.14738	0.9
169.10045	2.2
171.11617	3.9
173.09674	0.6
173.13196	5.9
175.11086	0.8
175.14743	8.2
177.12860	0.5
177.16342	0.8
183.11664	2.5
185.13220	0.8
187.11108	2.0
187.14734	3.4
189.16328	14.4
191.17868	2.2
197.13203	2.6
199.14780	5.0
201.12758	0.7
201.16414	1.0
211.14764	1.1
213.16298	1.1
215.14297	2.0
215.17900	0.9
217.15775	6.8
225.16254	0.7
227.17935	0.9
229.19466	1.0
235.14676	0.7
235.16841	6.2
241.19440	0.6
243.21175	0.7
253.19427	3.0
267.21054	0.9
271.20422	4.1
282.43939	0.6
317.21063	1.1
407.33020	2.6
425.33966	6.2
436.33417	0.6
440.01331	0.5
471.34521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3458
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.24660	3.7
54.81288	4.1
55.05485	26.8
57.07048	8.4
63.68233	4.0
64.60608	3.6
67.05470	23.7
69.07047	41.7
79.05453	18.8
81.07016	37.6
83.08593	33.1
87.80322	3.8
89.05952	4.8
91.05455	19.3
93.07008	63.6
95.08569	97.1
97.06503	5.6
97.10136	6.3
97.98225	4.2
105.06995	42.6
107.08552	100.0
109.10118	51.4
119.08534	88.6
121.10095	95.7
123.11684	17.0
131.08539	32.6
133.10081	53.8
135.11658	58.3
137.09544	4.7
137.13283	7.4
144.09299	6.6
145.10109	63.8
147.11668	47.9
149.13170	22.7
151.14743	4.5
153.09047	6.6
157.10060	21.2
158.10883	5.6
159.11646	45.1
161.13213	23.2
163.11092	6.3
163.14751	25.0
167.10515	4.4
169.10034	4.4
171.11639	17.4
173.13205	29.1
175.14760	19.9
177.16362	9.8
179.30554	5.6
185.13184	10.9
187.14746	32.1
189.16306	36.1
191.17854	16.9
199.14796	7.6
201.16341	42.6
203.17955	17.0
211.55336	4.4
213.16232	6.7
215.17790	7.6
229.19482	7.2
305.22278	4.7
345.17261	4.9
393.31314	9.1
397.30463	8.2
414.02570	4.8
425.33990	42.0
453.37128	21.7
455.12955	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.346
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.60123	4.0
53.70809	3.1
55.05494	25.6
56.19277	3.2
56.35413	3.3
57.07063	5.6
58.37300	3.9
61.02909	7.9
67.05479	33.8
69.07051	29.2
76.51600	4.4
79.05452	34.9
81.07037	62.3
83.04906	5.4
83.08588	16.7
85.02872	4.1
90.95834	3.5
91.05424	33.6
93.07015	62.5
95.04978	6.9
95.08568	100.0
98.81136	4.0
99.08028	6.5
105.06999	67.0
107.08560	91.3
109.10119	49.0
110.04810	4.4
111.08069	7.1
117.06999	7.9
117.22214	3.7
119.07709	7.4
119.08522	95.4
121.10092	55.1
123.11658	29.7
129.06960	6.5
131.08514	52.4
133.10083	88.7
135.08041	5.2
135.11617	50.2
137.13066	3.6
143.08524	21.2
145.10083	69.5
146.98874	4.4
147.08029	7.8
147.11650	53.4
149.13240	24.4
156.09357	4.9
157.10104	24.4
159.11612	44.1
161.09547	5.4
161.13222	24.6
163.11136	5.5
163.14754	29.4
169.10023	9.3
171.11659	18.5
173.13229	36.0
175.11121	8.4
175.14803	31.2
177.16318	17.0
183.11662	8.4
185.13187	16.0
187.14740	74.7
189.16258	41.0
199.14771	9.3
201.16327	44.9
205.15823	6.5
211.14830	6.1
213.16364	23.0
215.17867	24.7
225.16373	4.7
229.19466	14.5
241.19414	16.3
253.19394	6.4
267.20969	7.7
269.22739	5.3
281.22531	6.6
319.23984	5.2
377.32062	5.5
389.31979	9.1
407.32944	70.0
420.45932	4.3
423.32333	8.0
425.33929	70.9
435.32367	19.8
453.33582	30.0
471.34518	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	471.3459
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03916	1.7
53.83424	1.7
55.05491	20.2
57.03419	2.0
57.07054	9.2
61.02898	2.2
65.03897	2.4
67.05488	26.0
69.07040	37.1
71.08618	2.3
79.05465	17.6
81.07030	52.5
83.04986	2.9
83.08579	8.6
85.06492	2.2
91.05436	26.1
93.07004	53.7
95.04929	2.0
95.08572	88.4
97.10120	2.9
99.24350	1.7
105.06998	66.9
107.08559	83.4
109.06491	3.5
109.10117	47.1
111.08029	3.0
117.07005	12.2
119.08539	100.0
121.06486	2.0
121.10102	54.5
123.07991	4.9
123.11652	29.0
125.05997	2.1
129.06912	3.0
131.08539	33.6
133.10086	75.9
133.11066	3.9
135.08031	2.9
135.11652	28.6
141.06999	2.1
143.08516	15.1
144.09305	3.5
145.10081	66.2
147.07990	8.9
147.11642	49.5
149.05939	3.1
149.09605	4.6
149.13213	30.9
151.11095	2.9
155.08519	2.4
157.10068	23.4
158.10837	3.0
159.11615	31.8
161.09586	3.8
161.13193	23.8
163.11104	3.3
163.14760	26.8
165.12726	2.6
166.07567	2.1
169.10052	9.5
171.11688	21.4
173.13203	36.3
174.13846	2.5
175.11113	3.8
175.14775	39.5
177.12773	4.1
177.16360	14.2
183.11690	8.6
185.13216	13.1
187.11140	3.7
187.14764	54.8
189.12589	2.1
189.16304	61.1
191.14246	2.0
191.17818	2.4
197.13200	9.1
199.14781	9.5
201.12689	2.8
201.16324	35.9
203.14354	3.4
203.17891	13.3
205.15904	3.7
210.94441	2.2
211.14728	4.6
213.16324	13.5
215.14232	2.2
215.17902	27.0
217.15746	4.0
219.17438	2.4
225.16325	3.8
227.17822	12.5
229.19411	14.5
231.17468	2.4
239.17761	3.4
241.19398	11.6
247.16905	12.8
253.19449	4.8
257.18857	4.1
261.18463	12.4
265.19366	2.7
267.20895	13.8
269.22620	10.9
271.06094	2.4
281.22433	3.4
293.22571	4.5
303.19153	2.8
307.72675	2.3
363.30264	4.2
377.31821	14.7
389.31705	16.5
395.33359	2.4
407.32941	50.6
423.32458	37.5
425.33984	33.4
435.32196	11.0
441.33438	3.8
453.33633	24.5
471.34903	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	471.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93706	1.8
55.05492	13.5
57.03418	2.1
57.07046	3.4
61.31956	1.3
67.05473	14.2
68.53589	1.6
69.07034	21.8
71.67556	1.6
75.57723	1.4
79.05450	11.3
80.11266	2.2
81.07021	29.4
83.04945	2.5
83.08588	13.6
91.05437	18.4
93.07008	42.7
95.04918	1.6
95.08573	56.6
95.53027	1.8
97.06444	1.7
97.10114	2.4
99.08033	2.6
105.06994	42.8
107.08549	75.3
109.06445	1.9
109.10120	32.2
117.06976	10.2
119.08540	77.5
121.06477	2.4
121.10092	66.7
123.08010	3.0
123.11644	11.9
131.08531	32.5
133.10081	58.2
135.08018	2.2
135.11665	26.3
137.09561	1.6
143.08522	6.4
144.09143	2.0
145.10077	69.8
145.11217	2.9
147.11656	38.5
149.09592	2.6
149.13191	24.3
151.11188	2.0
153.08987	1.8
157.10080	7.7
158.10860	3.2
159.11642	44.7
161.09552	1.8
161.13190	23.1
163.11124	20.6
163.14729	25.7
171.11620	9.4
172.12402	2.3
173.13167	19.4
175.13347	2.6
175.14764	40.7
177.12714	2.8
177.16316	36.1
183.11595	2.4
185.13162	9.7
187.14758	53.7
189.16319	37.1
190.13525	2.2
191.14276	2.0
191.17883	11.1
197.13168	1.7
199.14726	9.9
201.16321	100.0
203.14243	2.5
203.17879	39.1
204.56404	1.6
205.15811	77.3
207.17352	4.1
213.16252	10.8
215.17867	7.1
217.19397	2.6
219.17343	9.8
223.16808	10.0
227.17827	3.3
229.19344	2.9
231.17384	3.8
235.16945	1.9
241.19453	9.4
247.16847	7.7
249.18578	3.0
255.20831	1.8
257.18729	1.9
259.20547	4.2
277.21432	3.0
383.83914	1.8
389.31732	3.6
407.32883	28.3
409.34421	8.1
425.33920	7.3
427.35468	2.6
435.32379	14.2
453.33398	7.6
471.34930	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	9.8
67.05472	8.6
69.07046	19.1
73.46458	1.7
74.83334	1.6
75.89279	1.8
79.05460	8.0
81.07017	26.6
83.08608	11.2
91.05442	12.0
93.07017	29.6
95.04951	1.6
95.08568	51.5
99.08070	3.0
105.06998	41.2
107.08553	60.3
109.10120	29.0
111.08052	1.9
117.06968	9.1
119.08537	79.8
121.10095	52.1
123.08060	1.6
123.11679	8.4
131.08531	34.9
133.10060	44.6
135.11642	30.3
137.09590	2.8
141.06956	1.6
143.08522	3.8
145.10080	64.6
147.11650	45.3
149.13162	12.6
157.10095	9.7
158.10834	2.3
159.11635	49.7
161.13193	19.1
163.11130	24.9
163.14760	14.1
169.10049	2.8
171.11620	7.0
173.13184	27.5
175.14761	45.0
177.09140	2.1
177.16310	29.1
183.11642	2.4
185.13246	9.9
186.13960	3.5
187.14769	49.9
189.16302	43.3
195.13799	2.7
197.13351	1.9
199.14740	7.8
201.16301	100.0
203.17854	17.1
205.15790	76.0
207.17436	3.8
211.14761	2.0
213.16263	3.6
215.17935	3.3
219.17435	6.4
223.06784	2.1
223.16855	15.1
247.16780	13.8
389.31659	3.0
407.32956	39.3
409.34409	1.8
425.34070	21.5
428.20081	1.7
435.32510	9.3
453.33319	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	471.346
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
54.81184	1.6
55.05490	20.5
55.05717	2.3
56.96528	2.2
57.07058	3.3
67.05479	18.9
69.03414	2.2
69.07037	28.8
71.04971	1.8
71.06452	1.8
79.05458	23.0
81.07022	50.8
82.19553	1.9
83.04946	9.0
83.08598	10.8
85.06523	2.7
88.07833	1.8
91.05431	23.7
93.07008	62.4
95.04936	9.3
95.08567	83.2
97.06483	3.7
97.10133	3.6
99.04424	2.3
99.08044	4.8
105.06992	55.9
107.08559	87.9
109.06492	4.5
109.10120	50.0
111.08024	4.1
113.05993	3.7
117.06988	13.1
119.08533	100.0
121.06473	2.6
121.10095	64.9
123.08042	8.1
123.11662	20.4
125.09569	2.2
129.06985	9.9
131.08516	42.7
133.10086	69.4
135.07993	4.8
135.11641	44.3
137.09586	4.6
137.13182	4.8
139.07462	1.9
142.07729	3.1
143.08513	17.9
144.09279	2.6
145.10072	50.4
147.08009	3.7
147.11653	51.4
149.09637	3.9
149.13194	29.0
151.11227	4.1
155.08517	3.5
157.10068	24.4
159.08043	2.3
159.11627	48.6
161.09586	3.7
161.13199	56.7
163.07462	2.8
163.11115	4.6
163.14758	35.6
169.10051	3.7
171.11641	20.6
172.12383	2.4
173.13210	45.2
175.14760	29.1
177.12671	4.7
177.16344	10.9
181.10031	3.4
183.11655	12.7
185.13200	23.2
187.14760	49.6
189.12668	3.4
189.16356	35.7
189.50412	2.1
191.14182	4.1
191.17850	4.0
197.13240	3.5
199.14789	22.1
201.16310	40.8
203.14203	3.6
203.17905	13.7
205.15865	11.8
211.14722	3.3
213.16324	15.3
215.17923	30.3
217.16034	2.0
217.19473	9.4
219.13791	3.6
227.17862	12.0
229.19395	17.2
231.17351	2.3
233.15353	3.2
239.17801	4.9
241.19366	17.5
243.21059	14.3
247.16794	3.4
251.17862	2.9
253.19447	9.8
255.20995	12.9
257.18845	3.5
257.22525	2.9
261.18451	7.4
269.22656	9.2
273.18332	2.5
275.20090	7.1
281.22549	2.3
287.19983	10.2
289.21518	4.8
301.21460	2.7
315.23181	3.0
377.31876	7.9
389.31729	8.1
395.32864	12.9
407.33096	21.2
417.31125	2.4
423.32397	9.7
425.33975	85.7
435.32715	22.8
441.33746	3.2
453.33957	17.8
471.35318	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	471.3459
Annotation	Pinicolic acid E
Peak:m/z	Relative Intensity
55.05492	9.6
57.07044	5.0
57.56622	1.2
67.05487	13.2
69.07038	14.0
73.98241	1.2
76.81116	1.1
79.05466	18.4
81.07031	29.0
82.85215	1.3
83.04968	1.3
83.08591	8.0
85.06525	1.3
86.14326	1.2
91.05439	14.3
93.07013	47.5
95.04953	1.6
95.08574	41.1
97.10152	1.2
99.08065	21.3
105.06297	1.5
105.07002	40.4
107.08563	83.3
109.06503	2.3
109.10139	21.7
111.08038	2.5
117.06994	9.3
119.07204	1.3
119.08553	53.0
121.06458	1.3
121.10106	36.4
123.08025	2.7
123.11647	9.8
129.06963	6.7
131.08519	24.9
133.06462	5.5
133.10097	36.9
135.08025	1.6
135.11673	23.5
136.91951	1.3
137.09612	1.6
137.13266	4.9
141.02936	1.4
142.07698	5.2
143.08528	23.0
145.10077	39.5
147.08038	1.3
147.11652	53.0
149.09625	1.4
149.13264	9.0
155.08533	7.8
156.09300	5.2
157.10106	36.3
159.11646	40.3
161.13194	20.2
163.14778	7.7
169.10057	12.2
170.10829	2.1
171.11655	25.2
172.12352	1.7
173.13197	36.9
175.11171	1.4
175.14766	7.2
177.16312	4.7
179.14232	5.4
181.10091	2.5
182.28545	1.3
183.11658	27.6
184.12524	1.7
185.13187	20.8
187.14757	29.3
189.14828	1.2
189.16296	10.6
190.23569	1.3
195.11626	5.2
197.13206	22.6
198.13840	1.6
199.14767	33.7
201.12732	1.5
201.16374	14.8
203.17987	1.8
207.11630	1.9
209.13237	2.7
211.14835	9.1
213.16330	18.5
215.17892	7.0
223.14723	2.6
225.16370	5.9
227.17908	8.9
229.15915	1.2
229.19423	2.6
237.16339	5.3
239.17929	5.5
241.19412	2.2
245.18929	1.9
251.17848	5.8
253.19438	8.2
255.21080	2.1
257.18823	1.7
259.20505	5.1
263.17941	1.3
265.19342	2.5
267.21017	7.6
269.12180	3.0
269.18896	2.4
271.20493	10.3
277.19376	1.6
285.21979	19.1
293.22574	1.7
295.24112	1.5
311.23975	1.6
319.24048	2.1
335.27231	7.5
337.25131	2.5
348.22122	1.5
353.28320	13.8
389.31824	5.7
407.27905	2.1
407.32910	33.7
425.34012	100.0
453.33652	19.2
471.34335	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	471.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20340	2.1
55.01858	4.0
55.05490	10.8
57.03413	24.0
58.24890	2.3
60.42982	2.5
61.02897	3.0
67.05482	22.5
69.03394	16.2
69.07036	12.8
71.04980	20.9
71.05319	2.6
75.04438	10.6
79.05456	22.5
81.03378	4.0
81.07026	35.9
83.04962	4.3
83.08584	5.7
85.02876	22.5
85.06507	6.5
91.05449	16.7
93.07003	41.8
95.04917	14.1
95.08569	43.1
97.02864	5.3
97.06509	18.2
97.10118	3.4
99.04392	2.6
105.07008	36.4
107.04956	3.2
107.08557	47.2
107.49864	2.8
109.06486	13.8
109.10140	23.0
111.08028	20.0
115.05404	2.8
119.08545	56.8
121.06451	23.1
121.10093	21.9
123.08028	45.7
127.07483	5.5
129.09053	15.9
130.81670	2.7
131.08533	24.5
133.10089	36.4
135.08009	100.0
135.08994	4.5
135.11606	3.0
136.68822	2.6
137.09569	32.3
143.08517	14.3
145.06451	4.0
145.10048	30.0
147.08017	14.3
147.11679	10.7
149.09576	20.4
155.10638	20.8
156.09329	4.6
157.10066	16.7
158.10909	4.0
159.08041	6.1
159.11638	16.9
161.09604	9.9
161.13170	5.4
165.09058	45.0
168.56197	3.0
171.11615	13.9
172.08713	3.5
173.09636	5.2
173.13210	23.4
175.11087	4.3
185.13170	4.5
187.11029	3.8
189.12650	5.8
196.12375	3.2
197.13219	4.6
201.12752	4.7
215.14226	4.1
255.17302	6.1
261.18533	3.2
273.18408	16.3
279.19437	3.9
291.19592	24.3
291.22446	2.5
309.16968	4.9
309.20502	55.4
471.20084	4.5
479.65073	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	471.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89479	1.7
53.03933	2.2
55.01862	7.0
55.05486	21.5
57.03416	27.9
57.07048	2.6
59.04971	3.7
61.02902	2.5
61.25750	1.8
67.05482	26.5
69.03405	20.4
69.07046	19.4
71.04961	27.4
71.54047	1.7
72.32694	1.8
73.02886	1.8
75.04438	4.0
75.97068	1.8
78.36126	1.7
79.05454	19.2
81.03393	2.4
81.07023	34.7
83.04948	11.7
83.08591	11.6
85.02880	26.9
85.06513	10.5
85.93961	1.7
91.05433	26.2
93.07000	44.2
95.04938	11.9
95.08569	53.6
95.18096	2.1
97.02842	3.5
97.06494	15.8
97.14320	2.0
99.04404	4.4
101.05988	2.6
105.06998	46.2
107.04897	4.2
107.08558	57.5
109.02821	2.2
109.06486	25.9
109.10130	40.7
111.08045	21.6
113.09610	2.4
117.06971	11.0
119.08542	67.4
121.06481	22.1
121.10104	29.3
123.08022	68.7
123.08937	2.8
127.03892	4.4
127.07533	3.1
129.06961	3.0
129.09071	24.6
130.07750	3.0
131.08510	30.6
133.10091	38.7
135.08011	100.0
135.11633	4.6
137.09572	74.7
137.10593	3.4
138.67104	1.8
139.11018	3.0
141.06976	1.9
142.07741	3.7
143.08554	12.6
144.09270	2.2
145.06442	4.2
145.10074	38.9
147.08008	17.4
147.11671	15.7
149.09557	15.5
155.10599	28.8
156.09293	8.3
157.10097	20.8
158.10829	3.7
159.07999	13.4
159.11612	20.3
161.09561	13.4
161.13229	10.3
163.11079	4.0
165.09050	54.3
169.10075	8.0
170.10742	3.0
171.11641	16.2
173.09569	13.2
173.13184	27.0
175.11134	10.6
175.14760	10.6
177.12715	2.4
183.11647	3.4
185.13161	11.8
187.11124	8.5
187.14781	4.9
189.12689	7.4
197.13205	2.2
199.14841	2.5
201.12727	3.4
203.14343	2.2
207.13576	10.2
213.16411	2.7
215.14166	4.1
216.00529	1.9
223.12970	2.9
227.17810	2.3
231.17360	2.1
243.17424	2.1
249.18472	2.2
255.17377	3.5
257.28458	2.4
273.18332	23.6
279.19489	3.0
291.16217	3.1
291.19421	24.5
309.16635	19.6
309.20514	67.5
385.18259	3.5
396.67770	2.1
425.11557	2.1
427.19028	12.2
471.08612	10.8
471.18271	28.9
471.22800	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	471.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01868	0.8
55.05494	3.7
57.03421	2.1
61.58541	0.8
67.05478	5.6
67.95740	0.8
68.05829	1.0
69.03403	7.4
69.07044	8.3
70.03745	1.3
70.45591	0.8
70.83855	0.9
71.04958	3.8
76.12786	0.9
79.05463	6.1
80.05807	1.5
81.03386	1.6
81.07031	15.9
81.35751	0.9
82.07361	4.9
83.04940	1.3
85.02898	8.0
87.00806	2.0
91.05455	3.8
93.07011	8.1
94.07340	3.3
95.04948	2.0
95.08584	8.6
96.08909	1.4
97.02804	2.0
97.06496	8.2
97.43187	0.8
98.06830	3.6
98.97536	1.5
99.04422	1.8
99.08061	1.0
105.06998	6.7
106.07338	1.2
107.08562	7.3
108.08849	1.4
109.06523	1.3
109.10121	5.2
110.10450	1.1
117.06982	1.2
119.08552	7.3
120.08889	1.8
121.10117	5.8
122.10465	0.9
123.08080	1.3
124.11982	1.3
127.03872	1.2
127.11183	1.1
128.98576	1.0
131.08615	1.1
133.10075	2.0
134.10455	1.4
135.08063	1.1
135.11615	1.9
136.12003	1.1
137.09621	1.2
145.10100	5.6
146.10472	1.0
147.11687	4.3
155.08502	1.3
159.11600	1.9
160.12163	1.3
161.02303	1.1
163.03864	3.9
164.04308	1.6
173.02341	4.3
173.13322	1.1
174.02629	1.3
185.13214	0.9
187.14815	1.1
196.11897	1.0
204.18126	1.5
215.07123	1.3
216.07446	1.7
222.19257	0.9
259.09741	1.8
260.09961	1.6
261.10416	1.1
262.11456	1.2
272.80795	1.0
278.11118	1.0
279.11237	1.0
303.10291	1.1
333.07813	33.4
335.09375	23.8
382.53854	0.9
471.21854	100.0
482.85910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01868	0.8
55.05494	3.7
57.03421	2.1
61.58541	0.8
67.05478	5.6
67.95740	0.8
68.05829	1.0
69.03403	7.4
69.07044	8.3
70.03745	1.3
70.45591	0.8
70.83855	0.9
71.04958	3.8
76.12786	0.9
79.05463	6.1
80.05807	1.5
81.03386	1.6
81.07031	15.9
81.35751	0.9
82.07361	4.9
83.04940	1.3
85.02898	8.0
87.00806	2.0
91.05455	3.8
93.07011	8.1
94.07340	3.3
95.04948	2.0
95.08584	8.6
96.08909	1.4
97.02804	2.0
97.06496	8.2
97.43187	0.8
98.06830	3.6
98.97536	1.5
99.04422	1.8
99.08061	1.0
105.06998	6.7
106.07338	1.2
107.08562	7.3
108.08849	1.4
109.06523	1.3
109.10121	5.2
110.10450	1.1
117.06982	1.2
119.08552	7.3
120.08889	1.8
121.10117	5.8
122.10465	0.9
123.08080	1.3
124.11982	1.3
127.03872	1.2
127.11183	1.1
128.98576	1.0
131.08615	1.1
133.10075	2.0
134.10455	1.4
135.08063	1.1
135.11615	1.9
136.12003	1.1
137.09621	1.2
145.10100	5.6
146.10472	1.0
147.11687	4.3
155.08502	1.3
159.11600	1.9
160.12163	1.3
161.02303	1.1
163.03864	3.9
164.04308	1.6
173.02341	4.3
173.13322	1.1
174.02629	1.3
185.13214	0.9
187.14815	1.1
196.11897	1.0
204.18126	1.5
215.07123	1.3
216.07446	1.7
222.19257	0.9
259.09741	1.8
260.09961	1.6
261.10416	1.1
262.11456	1.2
272.80795	1.0
278.11118	1.0
279.11237	1.0
303.10291	1.1
333.07813	33.4
335.09375	23.8
382.53854	0.9
471.21854	100.0
482.85910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15603	1.4
56.96547	100.0
62.11221	1.2
68.68723	1.2
69.03400	1.5
69.04644	1.3
70.97473	1.2
75.42866	1.1
83.04964	1.5
84.96017	7.1
85.02900	2.5
86.09705	1.6
89.03880	3.2
91.06465	1.4
95.04908	1.5
98.97547	41.4
107.04941	1.6
111.04419	6.4
112.99106	6.4
116.98584	40.1
117.03280	3.0
119.04934	1.7
124.99094	10.2
128.98563	2.1
131.00128	13.6
134.99600	29.4
135.04359	15.5
137.02339	1.9
139.00577	2.5
141.02196	14.3
143.00121	56.3
143.01193	2.1
145.01747	3.1
145.02817	8.3
146.99660	2.0
147.04428	2.4
149.01180	12.9
151.00587	1.6
152.61873	1.3
153.00664	7.0
157.01704	14.1
158.99588	3.1
159.03239	34.7
161.01163	79.2
162.99158	1.9
163.00784	1.6
163.03851	46.2
167.00128	9.1
169.01672	20.4
170.99596	2.5
175.02802	7.7
175.31584	1.4
177.00609	1.6
177.04272	10.3
179.02232	18.1
181.01608	2.2
181.96603	1.6
185.01140	35.0
186.99164	3.4
187.02716	39.2
188.25092	1.2
189.00664	15.2
193.01674	6.2
194.99586	9.7
196.29187	1.4
197.01160	10.7
199.02797	2.4
199.97647	2.3
203.02225	46.2
205.00064	9.7
205.03868	10.6
207.01671	2.5
209.01166	1.7
211.02753	37.2
213.00653	48.7
215.02196	6.7
217.03799	1.9
221.03288	25.9
223.01286	1.6
225.00763	6.0
227.02222	2.2
229.03760	18.7
231.01683	62.4
237.00612	6.1
249.02730	80.1
255.01669	12.0
261.02878	5.9
267.03763	34.9
268.10275	1.8
273.02707	26.5
285.04770	3.1
291.03751	34.1
309.04883	20.1
341.05432	1.6
351.04034	1.8
367.06876	7.1
369.04608	10.9
381.04828	2.2
387.05862	7.2
394.51822	1.7
399.06451	1.5
405.06787	2.3
408.62238	1.4
411.05783	16.5
429.06894	56.3
447.07892	10.2
471.08047	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	470.419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10288	3.1
55.05486	7.0
57.07053	6.0
67.05473	15.5
69.07032	18.8
70.06567	8.1
74.39754	3.5
77.42758	3.2
79.05481	3.8
81.07028	27.1
83.08587	5.7
85.10207	3.9
86.15554	4.0
91.05446	4.6
93.07010	5.1
95.08579	34.8
107.08511	3.5
109.10116	5.3
111.08083	3.9
118.17419	3.8
119.08555	15.8
137.13272	4.2
161.13126	5.1
193.24774	3.7
196.16893	100.0
214.17935	63.0
223.85043	4.2
256.26218	51.3
338.97021	4.0
345.11942	4.0
452.40714	73.3
470.41830	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	470.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.6
55.91426	1.0
57.03411	11.0
57.04445	1.2
57.07045	5.6
59.04965	2.7
61.02898	2.8
67.05472	9.7
69.03407	26.1
69.07030	8.0
71.04945	5.5
73.02880	18.3
79.05460	18.0
81.03370	2.8
81.07030	31.4
83.04943	14.9
83.08583	9.4
85.02882	45.7
85.06507	3.4
87.04431	2.9
91.05436	11.1
91.05959	1.3
93.07004	25.7
95.04947	2.2
95.08569	26.6
97.02855	24.3
97.06475	3.0
99.04436	2.0
105.07002	24.0
107.04928	1.7
107.08566	31.6
109.02855	2.2
109.06491	6.8
109.10117	26.7
111.08036	2.6
113.09649	5.1
115.03886	9.0
117.06980	2.4
119.08538	43.7
119.09390	1.5
120.08886	2.9
121.06441	6.0
121.10103	37.4
123.08028	2.0
123.11646	13.6
125.09573	6.5
127.03887	9.8
131.08511	9.2
133.06393	1.9
133.10088	53.8
134.10400	1.5
135.07954	3.1
135.11674	17.8
137.09573	31.6
139.11205	1.9
143.08513	2.9
145.04915	8.1
145.10101	15.9
146.10379	1.7
147.07986	6.0
147.11633	13.2
149.09573	2.4
149.13208	5.4
151.11108	12.5
157.10059	8.5
159.11659	6.6
160.11945	1.4
161.09564	7.5
161.13194	8.3
163.05986	3.0
163.11156	2.2
165.12744	1.7
171.11629	3.0
173.13170	7.0
175.11223	1.6
175.14761	27.7
177.16287	2.5
185.13165	7.1
187.14684	8.2
188.15111	1.7
189.16322	5.2
199.14801	7.8
200.15097	2.1
201.16321	9.1
203.14247	8.8
205.15826	9.3
217.15829	2.7
231.21194	1.6
259.20474	16.1
277.21515	100.0
367.92130	1.8
469.33148	1.7
470.28949	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
53.47358	0.2
57.03421	3.0
57.11796	0.2
58.60762	0.2
61.02903	0.6
64.66759	0.2
65.03901	0.3
66.04700	0.3
67.05447	0.2
67.83422	0.2
69.03403	3.0
73.02892	5.6
79.05462	14.1
81.07025	100.0
82.07362	0.4
85.02877	3.0
92.09378	0.3
95.04922	0.4
97.02864	3.0
111.04410	0.2
111.96339	0.2
115.03899	1.6
127.03870	0.6
132.99783	0.3
133.05013	0.3
141.09053	5.6
143.04243	0.3
149.46581	0.2
150.07686	0.3
169.12195	0.4
191.07063	0.4
278.11148	0.5
449.00183	0.3
452.21680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03930	2.4
53.46219	0.3
55.01855	0.7
55.05495	0.7
57.03411	3.2
59.04977	0.6
61.02900	1.6
62.82218	0.4
63.66061	0.3
63.84341	0.4
64.32474	0.4
65.89799	0.4
67.05473	1.9
69.03407	9.2
69.07042	5.0
71.04965	9.0
73.02887	1.0
78.64026	0.4
79.05460	12.2
81.03377	4.1
81.07027	100.0
82.07368	0.4
83.04972	1.7
83.08556	0.4
85.02876	13.6
87.00790	3.6
87.04422	3.3
87.52735	0.4
93.07003	1.7
95.04955	0.9
95.08578	1.7
97.02842	7.1
97.06502	1.9
99.04433	2.2
99.08080	1.0
105.01866	1.9
105.06995	0.8
107.08557	4.3
109.02858	3.2
109.06497	0.7
109.10123	6.7
109.74536	0.4
111.08067	1.8
111.11687	1.8
113.09631	0.8
115.03896	2.7
123.08028	0.7
123.11663	7.7
127.03879	5.3
127.11192	0.5
129.01820	0.6
133.04948	2.9
133.10071	1.9
139.03842	0.8
139.11139	3.3
141.09088	5.0
145.04900	0.9
151.11147	8.0
157.12202	2.2
159.02846	1.0
159.10091	0.5
161.05869	0.4
169.12166	11.7
187.13228	16.0
191.06900	0.5
205.14310	1.0
231.04837	0.7
233.07530	0.6
277.10623	1.7
278.10959	2.1
373.62433	0.5
382.68283	0.5
411.02051	0.4
433.64081	0.5
435.18530	3.3
470.17087	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	470.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00817	0.6
55.01847	4.3
55.05491	2.6
57.03410	4.5
57.07049	0.6
59.04966	1.0
64.32547	0.8
65.03918	0.6
65.95932	0.6
67.05473	7.0
67.78056	0.6
68.51617	0.6
69.03402	10.7
69.07030	3.7
71.01338	0.9
71.04951	2.6
73.02892	0.9
75.42406	0.7
79.05453	4.7
79.92453	0.6
81.03394	1.2
81.07034	5.8
83.04958	7.4
85.02885	9.5
85.06499	1.2
87.04426	4.4
91.05434	1.6
93.03371	1.2
93.07001	1.6
95.04945	5.0
95.08586	1.1
97.02855	4.0
97.06493	10.4
98.06825	1.7
100.11209	0.7
105.03335	0.7
105.06997	1.6
107.08535	1.6
109.02846	1.7
111.04388	5.8
115.03874	1.6
115.05447	1.5
117.06944	1.4
119.08539	1.2
121.10069	0.9
123.04376	10.4
123.11647	3.2
127.03867	6.2
128.06140	0.9
129.05428	3.3
129.06946	3.6
131.04880	4.3
131.08527	3.4
133.04959	2.4
133.10103	1.2
135.08023	1.2
136.12047	0.7
137.05954	1.1
137.09560	1.2
139.03870	1.2
141.06937	4.1
141.12744	5.1
143.08553	1.6
144.05655	0.8
145.06439	3.5
145.10071	4.1
147.04335	3.7
147.06465	1.1
147.08003	0.9
149.05919	13.1
153.06938	3.1
154.07770	4.4
155.08501	7.9
157.04893	0.8
157.06429	4.1
159.04364	1.2
159.08025	3.2
159.11682	1.5
159.13713	1.5
160.05061	1.1
161.02267	2.8
161.05945	5.5
162.02641	1.1
163.03815	6.1
164.04187	3.2
165.05435	18.6
167.08521	1.1
168.05711	1.3
169.06412	3.3
169.10046	15.2
171.08018	4.1
173.02336	1.5
173.05913	13.6
173.09525	9.8
174.02599	2.9
175.03970	1.1
175.05988	1.0
175.07472	20.0
177.05402	7.3
177.09036	2.6
179.08516	5.5
181.06375	4.2
182.07179	4.1
183.07990	9.3
184.07133	0.8
185.09613	0.9
186.06723	1.0
187.07481	4.5
187.11122	1.0
189.09055	4.4
191.03351	3.0
191.07024	2.6
191.10640	1.7
193.06902	0.9
197.09564	30.2
199.07515	5.3
200.08246	1.3
201.09042	100.0
202.09346	0.9
205.08574	1.0
205.43646	0.7
207.06303	1.4
207.08015	1.6
210.06696	1.5
214.05934	0.7
214.09256	0.8
215.07106	7.0
215.10619	20.2
216.07268	6.2
217.08560	12.4
219.10147	4.2
225.06766	0.9
225.09038	50.7
243.10078	87.8
244.10384	0.9
259.09555	1.0
260.09937	1.5
261.11111	21.8
261.13690	1.3
271.07657	0.7
277.10583	3.8
278.10904	7.1
303.22583	0.7
417.15512	1.1
435.16211	4.4
470.25684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14762	2.8
56.20911	2.9
76.75031	3.5
84.82175	4.3
89.05981	8.0
104.72157	3.4
133.22337	3.3
184.34146	3.8
213.08249	4.4
256.72046	3.9
283.17319	6.5
386.62857	4.8
469.36530	100.0
470.36075	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	470.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38073	0.3
55.01845	1.9
55.05490	0.4
57.03402	0.3
65.03903	0.4
67.05459	1.6
68.99745	1.3
69.03414	1.4
69.07025	2.2
77.03891	0.4
79.05470	2.8
81.03378	0.7
81.07027	0.8
85.02867	1.7
89.03878	0.4
91.05437	2.0
93.03352	0.8
93.07018	0.4
95.01318	0.4
95.04925	1.7
95.08547	0.6
97.06490	5.2
98.06807	0.6
99.50655	0.4
105.03286	0.5
105.06999	0.8
107.04933	4.0
109.02818	0.4
111.04422	0.4
115.05453	0.5
117.03333	1.6
119.04899	5.5
119.08559	0.6
121.06461	0.6
121.10082	0.6
123.04381	37.3
123.08071	0.4
127.03918	0.6
131.04866	0.6
133.10040	0.6
135.04362	12.5
135.08011	3.6
136.08324	0.8
137.02293	19.4
137.05930	0.6
137.09532	0.8
137.64668	0.3
139.03854	2.1
143.04889	0.8
145.02814	3.5
147.04373	16.9
149.05923	0.8
151.07477	0.4
153.01787	0.4
159.04306	0.6
161.02240	1.6
161.05931	6.8
163.03841	31.0
164.04173	2.0
165.01765	2.4
165.05406	11.7
169.06230	0.4
171.04414	0.6
173.02293	3.3
174.02625	1.3
175.03853	1.5
175.11163	0.4
177.05362	0.9
179.03270	2.9
179.06995	1.7
183.02885	1.5
185.05870	0.5
187.03841	2.4
189.05429	1.6
191.03322	100.0
192.03708	0.7
196.79497	0.4
203.03319	4.0
203.06886	0.4
205.04863	2.9
207.02774	0.5
207.06436	5.4
213.05434	1.9
215.03299	0.5
215.07010	3.0
216.07230	2.8
217.04857	1.9
221.04376	4.5
231.06711	0.5
233.04378	1.7
241.04861	1.6
247.05925	0.9
259.05920	8.2
259.09409	2.8
260.10059	2.5
261.10803	0.4
271.05829	3.7
277.10513	1.9
278.10965	0.7
283.06100	0.5
289.17920	1.3
290.18192	0.5
301.06973	13.6
307.18860	0.5
313.06918	6.4
317.06433	1.6
323.33292	0.4
325.06900	0.6
343.07993	32.8
411.10492	3.7
435.10519	1.6
453.11673	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	469.3305
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03915	1.8
55.05497	20.4
57.07051	2.4
63.89630	1.7
67.05485	24.1
69.06738	2.0
69.07043	22.3
72.40625	1.8
73.48138	1.9
79.05463	29.0
80.09200	2.3
81.07030	57.4
82.03618	1.9
82.36850	2.0
83.04951	18.8
83.08599	8.0
91.05438	33.9
93.07011	68.1
95.04926	9.2
95.08572	59.9
97.06496	4.0
105.06995	68.8
107.08558	100.0
109.06490	14.1
109.10130	34.5
109.94057	1.9
111.08052	11.8
115.05402	2.3
117.06985	16.5
119.08537	94.6
121.10105	45.7
123.08024	4.8
123.11671	13.6
125.09598	11.1
129.06902	7.3
131.08545	48.6
133.09090	2.8
133.10091	52.3
135.11665	16.3
137.09532	7.6
142.07715	4.8
143.08510	29.9
144.09268	3.2
145.10069	62.7
147.11636	30.2
149.13246	13.4
154.07758	2.6
155.08546	9.2
156.09296	4.2
157.10075	35.9
158.10805	2.5
159.11624	42.7
161.09573	2.1
161.13193	26.8
163.14745	13.2
169.10071	13.5
171.11633	30.1
172.12396	2.5
173.13176	27.2
175.14722	26.5
177.09120	3.3
177.16342	10.8
181.10016	2.8
183.11604	12.7
185.13200	47.5
187.14717	31.7
189.12567	2.1
189.16302	17.3
191.17851	3.2
193.15910	2.7
195.11536	2.6
197.13223	15.6
199.14771	27.4
201.16286	31.4
202.58159	2.2
203.14307	4.5
203.17995	2.9
205.15881	9.9
207.11546	2.3
209.13272	4.8
211.14774	9.7
213.16312	21.0
215.17822	3.0
217.15771	3.2
223.14783	3.7
225.16335	4.1
227.17943	8.1
231.13727	9.9
233.15355	3.5
235.16853	2.4
237.16425	2.6
239.17841	11.0
241.19502	4.9
253.19420	7.8
257.07947	2.1
257.15244	2.4
264.65582	2.5
267.20990	4.4
281.22266	2.4
309.22263	2.3
363.22015	2.3
387.30252	3.7
405.31482	36.5
407.33179	3.3
423.32404	11.6
433.30911	14.7
451.32047	23.3
469.33072	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	469.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48331	1.1
54.20234	1.1
55.05497	19.9
57.07045	1.7
67.05482	13.3
69.07043	10.2
71.08614	1.5
79.05471	10.7
81.07021	40.0
83.04950	100.0
83.05450	3.3
83.08580	8.1
86.87811	1.4
91.05437	16.2
93.07004	32.4
95.04931	12.2
95.08566	49.0
99.08064	2.0
105.06989	57.4
107.08555	47.4
109.06484	6.8
109.10142	19.5
111.08076	2.9
117.06970	8.6
119.08533	68.5
121.10093	29.5
123.08037	8.7
123.11636	16.1
123.63511	1.5
125.09605	3.5
128.06180	1.8
129.06947	5.5
130.07718	1.8
131.07646	2.4
131.08521	32.0
133.10074	38.4
135.07976	1.4
135.11656	12.2
137.09589	1.8
142.07742	2.9
143.08514	15.3
144.09299	5.8
145.10074	47.8
147.11633	29.2
149.05972	2.4
149.09586	1.6
149.13223	11.5
151.11131	1.8
155.08484	2.6
156.09322	1.8
157.10069	22.2
158.10793	2.5
159.11635	40.6
161.13210	20.5
163.11140	1.7
163.14746	2.2
169.10110	6.1
170.10818	2.6
171.11688	12.6
173.13165	23.4
175.14764	17.6
177.16342	3.6
182.10678	1.8
183.11667	7.2
184.12448	1.6
185.13181	25.2
187.14758	25.6
189.16327	10.6
191.17940	1.8
195.11555	2.0
197.13231	9.3
199.14752	23.2
201.16328	31.2
203.14247	16.3
203.17955	2.4
205.15852	8.2
209.13254	1.5
211.14740	2.9
213.16310	19.8
215.14241	6.2
215.17998	2.9
217.15892	3.5
219.13770	2.1
219.17424	2.8
221.15320	2.1
225.16296	3.3
227.18005	2.5
229.15616	2.2
231.17331	6.2
233.15309	2.2
239.17891	3.1
241.19376	2.1
245.15384	5.2
249.14752	5.4
253.19383	3.4
259.16699	3.0
285.18387	1.8
323.27322	2.3
341.28149	3.0
347.27084	1.9
351.26712	2.4
387.30283	2.4
393.27573	3.3
405.31296	16.9
411.28726	2.1
423.32391	9.1
433.30835	5.6
451.32028	14.9
469.33249	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.05495	19.3
57.03436	1.4
57.07051	7.4
65.03902	1.4
67.05482	21.1
69.03404	5.1
69.07039	20.6
71.04955	3.1
76.54092	1.4
78.36840	1.2
79.05463	20.6
81.07021	39.8
81.09784	1.2
83.04951	8.7
83.08569	14.2
85.02856	5.4
91.05434	23.2
93.07000	49.2
95.04925	6.3
95.08565	66.0
95.13211	1.2
97.02850	2.5
97.06484	7.2
97.10175	1.7
99.08047	1.4
105.06993	57.6
107.04887	2.1
107.08557	77.1
109.02789	1.5
109.06492	2.6
109.10121	42.4
109.81812	1.4
111.08041	5.2
117.06950	10.3
119.08535	100.0
121.06443	5.2
121.10096	73.0
123.08010	10.6
123.11668	16.4
125.09606	2.6
128.06247	1.6
128.68459	1.4
129.06924	6.3
130.07747	2.8
131.08516	39.5
133.06380	1.4
133.10081	49.5
135.08015	5.8
135.11630	34.5
137.09589	5.7
137.13251	2.8
142.07745	10.9
143.08493	20.6
144.09290	5.1
145.10075	84.5
147.08017	1.4
147.11626	31.7
149.09595	3.1
149.13205	18.3
151.07468	1.9
151.11125	2.8
155.08574	5.2
156.09303	7.6
157.10078	37.7
158.10838	2.9
159.07982	2.1
159.11624	56.9
161.09569	2.1
161.13168	23.6
163.07535	9.1
163.11121	20.0
163.14731	11.3
167.08443	1.6
169.10042	7.0
170.10883	10.6
171.11644	24.0
172.12366	2.8
173.09601	1.6
173.13182	36.0
175.11168	1.7
175.14764	25.3
177.12721	5.9
177.16322	16.5
181.10046	1.5
183.11583	10.6
184.12410	1.9
185.13203	21.0
186.13834	1.6
187.11168	1.8
187.14748	50.1
189.08951	1.4
189.16292	14.8
191.17856	8.4
195.11586	2.4
197.13159	9.5
199.14742	44.1
199.16537	2.3
201.16331	47.5
203.17961	1.7
205.15794	39.8
209.13127	1.8
211.14798	3.1
213.16316	9.3
215.14186	2.6
215.17876	6.1
217.15683	1.6
217.19496	1.8
219.17426	10.4
223.14885	1.5
223.16837	9.7
225.16397	1.6
227.14178	1.8
227.17795	2.7
233.15291	5.7
233.18948	1.4
237.16183	1.9
239.17998	2.6
245.15233	4.9
253.19389	2.1
267.21143	1.6
373.12976	1.5
385.32834	1.3
405.31448	19.1
407.32956	8.2
423.32401	2.5
451.31979	32.8
469.33545	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	469.3302
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03918	1.2
55.05293	1.0
55.05494	19.7
55.49787	1.1
57.07054	1.3
59.05367	1.1
67.05473	9.0
69.07037	13.1
79.05443	9.5
80.52335	1.2
81.07023	32.7
83.04946	100.0
83.08575	8.0
91.05440	15.7
93.07001	32.2
95.04937	13.2
95.08562	40.4
97.06492	1.7
99.08006	1.7
100.06075	1.4
105.06992	46.4
107.08552	43.4
107.72993	1.4
109.06484	5.9
109.10108	19.1
111.08039	2.0
117.06969	6.9
119.08533	63.3
121.09294	1.7
121.10100	24.5
123.08022	10.3
123.11666	12.2
125.09541	2.4
127.68523	1.3
129.06923	3.3
131.08508	30.4
133.10080	34.3
135.11644	14.2
143.08524	11.6
144.09232	1.6
145.10078	38.7
147.11671	23.6
149.13188	14.9
151.11093	1.9
153.09058	2.1
155.08478	2.9
156.66536	1.5
157.10077	17.8
159.11610	26.1
161.09601	2.5
161.13184	36.0
163.07469	1.4
163.14755	7.9
165.12628	1.8
169.10088	2.4
170.10812	2.5
171.11627	8.6
173.09598	1.5
173.13203	21.6
175.14738	16.2
177.16425	2.9
181.09999	1.4
183.11639	5.6
185.13190	28.8
187.14719	24.6
189.16331	7.3
191.14262	3.2
197.13145	1.8
199.14767	13.9
201.16296	30.4
203.14270	15.6
203.17941	2.6
205.15768	8.6
209.13086	2.4
211.14725	1.8
212.52216	1.5
213.16367	11.4
215.14279	2.6
215.17960	1.9
217.15823	6.1
219.17352	5.3
221.15298	2.4
225.16197	2.7
227.17947	2.2
231.17412	2.2
237.16357	1.6
239.17755	1.7
245.15228	5.3
247.16989	2.1
249.14726	9.0
255.17288	1.7
259.16882	2.3
268.89948	1.6
355.26224	2.5
369.27884	1.9
393.27661	1.9
405.31439	14.0
411.28754	2.0
423.32465	8.7
433.30826	3.4
451.32117	13.6
469.33047	34.4
473.07425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3306
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.17736	1.3
50.33340	1.5
52.19187	1.3
55.05496	14.1
57.07058	6.5
58.75571	1.3
60.53695	1.3
67.05489	20.2
69.07043	21.9
71.04974	2.7
75.26465	1.7
79.05456	17.9
81.07027	39.2
83.04958	3.4
83.08604	8.6
85.02895	12.7
91.05446	21.6
92.09348	4.4
93.07011	52.8
95.04946	1.9
95.08575	66.4
97.06509	3.9
97.10152	1.6
99.08090	3.1
101.05988	10.0
104.10724	1.6
105.07001	66.4
107.08560	86.1
109.06470	6.4
109.10130	32.2
111.08066	2.4
117.06992	8.4
119.08543	100.0
119.09399	3.5
121.06496	2.2
121.10103	68.5
123.08028	11.1
123.11646	12.0
125.09586	3.8
129.07014	1.9
130.07750	1.7
131.08517	39.3
133.10088	55.6
135.08028	28.0
135.11632	36.7
137.09686	1.8
137.13232	10.7
142.07794	2.4
143.08537	9.7
144.09314	2.7
145.10089	70.8
147.11650	41.9
147.12753	2.5
149.09576	8.1
149.13254	16.6
151.07512	39.8
151.37167	1.8
153.09085	3.2
155.08556	2.5
156.09378	2.2
157.10081	17.7
158.10852	2.6
159.11641	49.1
161.09602	8.2
161.13214	25.2
163.07520	3.2
163.11148	11.2
163.14755	16.2
165.12805	1.9
166.86983	1.7
167.10556	1.7
169.10065	6.2
171.11714	12.1
173.09409	2.0
173.13222	36.9
175.11182	8.2
175.14755	32.9
177.12694	6.0
177.16360	9.4
179.10626	2.3
183.11644	9.1
184.07373	1.6
184.12473	2.0
185.13177	17.6
187.14758	51.1
189.12651	3.0
189.16331	21.1
191.14183	19.6
191.17969	2.1
193.12213	2.8
193.15813	2.3
197.13220	7.1
198.13885	1.8
199.14742	15.9
201.12781	3.3
201.16333	52.1
203.14320	9.6
203.17964	3.6
205.15810	7.2
211.14778	3.7
213.16374	12.7
215.14297	2.0
215.17830	6.9
217.15814	4.0
221.15321	17.0
223.14850	2.3
227.17850	2.3
229.15871	3.7
229.19408	2.4
231.17372	3.1
235.16910	3.4
242.20955	1.7
247.16811	3.3
255.21005	3.1
261.18494	2.5
275.12271	1.8
387.30167	3.3
402.34204	1.9
402.78464	1.8
405.31348	23.3
423.32477	90.4
425.34232	2.2
433.30792	2.1
451.32162	16.6
469.33786	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	469.3303
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03910	3.0
55.01849	3.3
55.05488	26.9
56.72799	1.5
57.03423	2.9
57.07046	3.5
67.05479	25.3
69.03409	12.9
69.07040	26.9
70.07355	1.8
71.04958	1.7
79.05454	28.8
81.03384	4.2
81.07024	56.9
83.04950	100.0
83.08583	10.7
85.02885	19.9
87.00802	8.9
89.03889	2.9
91.05437	26.4
93.07001	56.5
94.28082	1.6
94.74046	1.7
95.04942	20.4
95.08569	68.3
97.02851	8.0
97.06492	22.3
97.10170	2.9
105.01849	2.9
105.06999	66.5
107.04928	3.0
107.08555	66.0
109.02872	6.6
109.06516	7.3
109.10127	29.4
111.08064	3.2
115.10377	1.7
117.03334	3.9
117.06967	12.1
119.08534	96.9
121.10108	45.1
123.08031	13.2
123.11620	15.8
125.09582	7.7
127.03867	7.8
128.06229	4.1
129.06953	8.7
131.08522	38.9
133.10100	42.8
135.04366	13.0
135.11647	20.4
136.04756	3.1
137.09595	3.2
137.73346	1.8
142.07690	2.8
143.08553	16.3
144.09232	2.2
145.02817	9.7
145.10065	62.2
146.03131	2.3
147.11630	38.2
149.09608	3.1
149.13222	11.4
155.08517	3.1
157.10062	26.1
158.98959	1.7
159.11623	50.6
161.09660	3.5
161.13199	40.6
163.03842	49.8
163.07393	2.4
163.11079	3.9
163.14775	6.4
164.04192	30.6
169.10071	2.2
171.11646	19.2
173.02332	2.2
173.13197	27.4
175.14732	17.6
177.16318	7.1
183.11681	7.6
184.12538	2.2
185.13155	13.8
187.14738	26.3
189.16331	21.1
191.14211	2.4
191.17863	2.7
197.13242	3.5
199.14771	23.1
201.16289	24.7
203.14368	3.3
203.17877	6.3
205.15884	15.5
211.14716	2.8
213.16331	11.0
215.06900	3.6
215.14249	2.0
217.04912	2.4
217.15825	15.1
219.17406	9.1
221.25436	1.7
229.15918	4.2
231.17316	7.9
237.16423	2.1
241.08493	13.0
242.08847	27.0
245.18977	1.9
259.09515	14.1
260.09897	21.6
277.10510	2.8
277.17926	3.8
405.31387	9.8
411.28818	7.7
423.32486	9.7
451.31845	7.7
457.86676	2.1
469.33127	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3305
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03934	2.2
55.05494	17.9
56.96538	1.3
57.03423	2.4
57.07058	6.9
59.04972	1.9
65.03886	1.4
67.05486	20.6
69.03403	1.4
69.07044	27.1
71.04968	1.4
72.40414	1.4
73.61194	1.3
79.05464	19.8
81.03365	1.6
81.07028	41.5
83.04954	7.7
83.08590	13.6
84.22302	1.4
85.02885	7.2
85.06512	1.5
87.52058	1.3
90.05614	1.3
91.05450	23.5
93.07003	53.1
95.04949	5.9
95.08570	63.3
95.09147	2.9
97.02855	1.8
97.06499	8.2
97.10133	2.9
99.04399	1.6
99.08048	2.4
105.06995	57.0
105.07675	2.2
107.04961	2.1
107.08559	80.7
109.06487	2.9
109.10125	43.7
111.08080	6.7
117.06992	12.3
119.08537	100.0
121.06462	2.4
121.10097	77.6
122.27615	1.5
123.08040	6.9
123.11648	14.9
125.09592	5.9
128.06195	1.8
129.06981	6.5
130.07726	1.7
131.08530	40.4
133.10085	46.5
135.08022	6.6
135.11644	35.5
137.09615	2.0
137.13177	3.2
141.06943	1.9
142.07718	7.8
143.08559	18.7
144.09325	3.2
145.10086	93.1
145.11241	3.3
146.10762	1.4
147.08107	1.7
147.11649	35.6
149.09560	6.8
149.13206	24.1
151.11131	2.1
153.05545	1.7
155.08527	3.2
156.09314	8.9
157.10080	49.0
157.11378	2.3
158.10870	7.8
159.08078	2.4
159.11630	66.3
161.09578	2.3
161.13213	22.5
163.07513	7.6
163.11121	15.0
163.14755	14.5
165.12686	1.8
169.10072	8.8
170.10881	3.6
171.11610	29.5
172.12381	2.6
173.09496	1.6
173.13177	34.5
175.11255	1.5
175.14749	23.3
177.12706	3.2
177.16316	18.5
179.14484	1.3
181.10007	2.2
183.11658	9.2
184.12399	5.3
185.13217	22.6
187.14757	48.0
189.16318	14.1
191.14325	1.8
191.17924	6.6
197.13142	6.5
199.14752	56.4
199.16521	2.9
201.16324	49.5
203.17944	6.7
205.15820	50.6
207.17401	2.9
209.13258	3.1
211.14728	7.5
213.16357	8.4
215.14293	1.6
215.17867	6.0
219.17310	12.3
223.14932	2.0
223.16908	9.1
225.16362	1.6
227.17915	1.7
229.15938	1.6
233.15303	7.9
233.19011	2.2
237.18535	2.0
239.17943	2.0
245.15277	7.1
247.16806	1.8
291.21194	1.7
387.30286	2.2
405.31387	24.6
407.33041	6.2
423.32791	2.9
425.34100	3.3
433.31110	6.8
451.32022	38.4
469.33426	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	469.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.8
53.03934	3.8
55.01847	6.7
55.05499	27.2
57.03420	6.7
57.07054	6.6
59.04986	2.6
61.02896	8.7
61.97200	1.4
65.03888	1.7
67.05482	29.9
68.99770	6.3
69.03408	32.9
69.07044	32.2
70.50024	1.4
71.04971	16.9
71.45740	1.4
73.02919	2.8
75.75502	1.4
79.05466	25.2
81.03387	23.5
81.07030	91.7
81.96222	1.4
83.04960	7.9
83.08591	14.9
85.02877	33.7
85.73492	1.4
87.00791	20.2
91.05440	26.7
92.09383	4.0
93.07011	58.0
95.04944	9.6
95.08573	86.4
97.02856	16.9
97.06496	2.0
97.10165	11.7
99.04395	8.4
99.08076	7.1
103.05370	1.8
105.01803	1.9
105.06998	60.7
107.04956	2.3
107.08569	57.2
109.02204	2.1
109.02843	20.4
109.06499	10.1
109.10124	57.7
111.04408	7.5
111.08061	2.0
111.11677	3.0
114.36302	1.7
115.03876	3.8
117.06972	12.4
119.04932	1.8
119.08541	100.0
121.06453	6.3
121.10097	46.6
123.07991	2.9
123.11677	29.0
125.09569	2.6
127.03864	14.5
127.11163	17.4
128.06146	3.4
129.01807	7.9
129.06947	4.0
130.07809	2.0
131.08505	31.3
133.10092	37.2
135.07990	7.5
135.11655	26.0
137.09573	3.3
137.13232	10.3
141.06897	2.4
142.07730	7.3
143.08508	23.3
144.09280	6.2
145.05011	2.6
145.06407	3.3
145.10092	50.4
147.07957	2.7
147.11642	36.0
149.09557	7.6
149.13239	16.7
155.08522	10.3
156.09233	6.1
157.10089	30.2
158.10855	2.8
159.02777	2.4
159.08018	2.6
159.11644	40.4
161.09575	8.0
161.13200	17.0
163.11191	2.8
163.14767	7.4
169.10069	9.6
170.10782	3.0
171.11655	21.0
173.09605	2.0
173.13197	21.8
175.11150	2.8
175.14737	13.3
177.12726	2.4
177.16284	3.6
181.10066	6.6
183.11653	12.0
185.09564	2.1
185.13202	10.6
187.11005	3.0
187.14783	21.0
189.12691	2.9
189.16325	9.0
191.14268	8.1
191.17809	2.9
192.09256	2.5
193.19453	2.2
195.11661	3.0
197.13277	11.3
199.11082	2.4
199.14789	11.5
201.12694	3.6
201.16345	16.8
203.17859	21.0
205.15808	6.9
207.11665	2.6
209.13255	2.4
211.14774	3.8
213.16313	8.5
215.17880	4.0
217.12105	1.8
217.15744	3.6
219.17291	11.9
221.18933	7.2
223.14767	2.5
225.12671	2.0
225.16298	3.5
227.17865	3.5
229.15858	2.1
231.17346	2.1
233.15421	2.4
239.17964	2.1
241.15845	1.9
243.13504	2.3
245.18954	2.7
265.19366	2.7
269.19055	2.2
287.19931	2.0
293.18805	2.4
301.21817	2.1
305.21881	1.6
311.19974	9.8
329.20990	7.0
394.47052	1.8
405.31378	9.6
419.75604	2.1
423.32648	14.3
433.22028	10.0
433.31436	1.7
451.22949	6.8
451.31674	8.8
469.32751	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	469.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
53.03917	1.9
55.01849	4.7
55.05496	14.9
56.89970	1.0
57.03412	8.9
57.07052	1.4
61.02901	1.3
63.02365	1.1
64.51846	1.1
65.76233	1.1
67.05483	13.6
69.03406	9.7
69.07038	33.2
71.04955	8.8
73.02880	1.9
73.06523	2.6
79.05453	24.2
79.45925	1.1
81.07027	25.5
83.04950	32.2
83.08577	10.1
85.02864	13.7
85.06504	2.0
86.09662	2.4
89.03875	5.5
91.05440	11.2
92.09225	1.3
93.07010	21.4
95.04950	11.4
95.08580	18.6
97.02839	2.9
97.06493	89.4
97.10117	2.1
99.04385	1.9
99.08085	1.6
100.11242	2.7
105.06996	18.7
107.04936	5.8
107.08565	25.1
109.06490	9.4
109.10126	10.1
111.04393	2.5
111.08031	5.3
114.09123	1.5
117.03317	6.1
117.06989	4.4
119.08532	30.8
121.06453	7.4
121.10104	10.5
123.08018	29.0
123.11661	2.3
127.07510	27.0
128.06152	1.3
129.06992	2.4
131.08522	16.6
133.02838	2.5
133.06458	1.5
133.10081	18.2
135.04373	18.8
135.08012	56.8
135.11760	1.6
137.09555	13.8
139.07545	1.4
141.06969	5.5
142.07706	2.2
143.04974	1.2
143.08514	10.4
144.09276	1.7
145.02811	18.1
145.06450	2.1
145.10075	20.0
147.04420	1.8
147.08020	8.2
147.11589	9.3
149.09581	1.4
152.91946	1.4
153.09079	6.6
154.07748	1.3
155.08502	1.8
156.09270	1.8
157.06436	1.9
157.10095	8.8
157.15822	1.7
159.04362	14.2
159.07994	9.0
159.11633	13.7
160.08768	1.7
161.02272	40.9
161.03525	1.7
161.05945	2.3
161.09531	8.1
161.13193	4.9
163.03842	73.3
163.11111	2.5
164.04192	1.5
165.09045	27.1
168.09282	1.2
169.10052	2.8
171.11629	6.0
171.54697	1.3
173.02264	65.1
173.05835	1.5
173.09552	5.5
173.13139	10.1
175.11127	4.8
175.14854	1.6
177.05373	5.2
182.10909	1.6
182.15454	1.5
183.11584	4.5
185.05904	5.0
185.09567	1.7
185.13214	5.0
187.07384	2.0
187.11153	2.5
187.14780	5.7
189.05452	6.1
189.16328	1.6
190.05759	2.0
191.03320	5.6
195.07895	1.3
197.05960	1.8
197.13188	2.0
199.14647	1.6
201.12646	5.8
201.16298	2.8
203.14178	2.7
205.15874	1.8
211.14914	1.8
213.12695	1.7
215.06966	100.0
215.14174	2.3
216.07304	7.3
219.13622	2.1
241.08452	2.4
259.09561	22.7
260.10056	8.2
271.16776	5.0
277.10611	95.2
289.17844	9.8
307.18893	38.2
377.31830	1.4
425.27692	1.5
469.23785	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	469.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58008	0.8
55.01865	2.4
55.05492	10.0
57.03409	2.4
57.07050	1.0
59.04945	0.9
59.90012	0.8
65.47388	0.9
66.25197	1.2
67.05484	11.8
69.03403	10.9
69.07047	17.0
71.04962	1.6
71.30184	0.9
76.05232	1.0
79.05467	14.2
81.07027	17.4
83.04967	4.0
83.08582	1.5
85.02864	10.2
85.06512	5.6
85.76582	1.1
89.03887	2.2
91.05444	10.3
93.07008	23.6
95.04910	2.4
95.08575	24.6
97.02869	1.4
97.06493	50.0
97.10129	1.5
99.04388	1.0
105.06993	18.6
107.04933	1.6
107.08555	18.7
109.06470	6.3
109.10119	9.6
113.09592	3.8
114.80206	1.1
117.03316	2.1
117.06963	2.4
119.08534	24.4
121.06449	11.3
121.10103	19.6
122.07254	2.0
123.04356	5.2
123.08034	19.0
123.11636	2.2
125.09615	1.5
127.03879	1.4
129.06944	1.8
131.08487	9.5
133.02824	1.5
133.10103	20.7
135.04408	10.4
135.08011	100.0
135.11629	2.3
137.09573	17.6
139.11162	1.7
143.08542	5.4
145.02820	7.8
145.10080	13.8
146.07239	1.3
147.04376	2.3
147.07983	6.2
147.11629	5.9
149.09589	1.6
151.07552	4.8
155.06953	1.7
157.10110	2.0
159.04379	2.3
159.08009	4.5
159.11623	21.3
161.02292	14.0
161.09529	10.1
161.13217	5.2
163.03850	45.4
163.07436	2.5
168.29767	1.0
169.10039	2.4
171.11653	4.2
173.02283	33.6
173.03758	1.4
173.09552	7.7
173.13173	11.0
175.11119	4.8
175.14783	7.3
177.09142	1.1
181.08604	7.9
181.10011	1.0
183.11609	2.3
185.05927	1.3
185.13228	6.2
187.11116	8.8
189.12686	2.2
191.03244	11.2
195.11520	1.0
197.13104	1.3
201.12735	7.2
201.16380	5.4
203.14136	1.5
207.02780	1.7
213.12668	5.5
215.06963	39.5
215.17888	4.6
219.13719	1.3
225.16289	3.8
229.12190	1.4
229.15791	1.7
241.08411	1.6
243.17366	8.6
247.13214	4.0
253.15813	2.0
259.09525	39.9
260.09860	2.3
261.18478	5.8
271.16864	8.1
277.10590	20.8
289.14911	2.0
289.17911	40.9
307.18939	26.6
387.34335	1.1
464.58228	1.2
465.30750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.1
53.03926	5.7
55.01858	15.9
55.05496	29.6
57.03415	7.3
57.07050	7.1
59.04977	3.4
61.02900	6.7
67.05479	37.0
68.31684	2.9
68.99778	4.5
69.03408	46.5
69.07042	54.1
71.01314	3.3
71.04973	27.2
71.08581	3.0
73.02908	4.0
79.05459	32.4
81.03386	36.2
81.07024	80.9
83.04953	7.6
83.08605	19.4
85.02883	44.5
87.00797	26.8
91.05443	32.6
93.07014	57.3
95.04934	12.8
95.08569	75.0
97.02875	23.9
97.06496	93.8
97.10146	4.2
98.06807	3.2
99.04383	7.5
105.01836	5.6
105.06992	71.1
107.04967	4.7
107.08562	67.6
109.02839	23.5
109.06502	5.5
109.10139	48.2
111.04425	6.5
115.03914	5.6
117.03294	5.9
117.06973	6.7
119.08533	75.0
120.66624	3.5
121.06456	4.7
121.10090	51.1
123.04401	3.6
123.07980	4.2
123.11658	25.0
127.03880	21.4
127.11165	14.6
128.06219	5.9
129.01823	5.1
129.06975	6.1
131.08548	26.9
133.10094	47.0
135.04385	20.4
135.08034	6.7
135.11647	37.9
137.09544	3.7
137.13225	4.3
142.07808	4.0
143.08549	19.8
144.85574	3.4
145.02823	18.7
145.10068	48.0
147.07979	5.7
147.11678	31.9
149.09610	3.3
149.13237	15.9
155.08568	3.6
156.09314	4.2
157.10060	27.1
159.11618	35.9
161.02287	15.1
161.13229	16.5
163.03819	74.2
163.11119	5.1
164.04190	6.0
167.08531	3.5
169.10019	12.5
171.07916	4.6
171.11658	18.3
173.02242	61.1
173.13243	15.6
173.77293	3.5
175.11172	3.9
175.14772	5.0
177.12665	5.6
177.16370	4.0
183.11739	7.2
187.14786	7.0
189.16278	5.6
191.03346	3.8
191.17924	4.4
197.13240	6.0
199.14807	5.4
201.16330	6.8
203.17926	23.3
207.11708	5.6
214.16940	3.4
215.06970	75.5
215.18033	2.9
216.07268	4.3
219.17337	4.3
221.18919	6.3
259.09555	100.0
260.09894	20.3
277.10678	18.2
305.20850	4.9
311.19858	13.7
329.21054	6.1
433.22290	4.3
451.23184	10.6
469.24649	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	469.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.1
53.03925	10.2
53.49291	1.4
55.01862	16.7
55.02081	1.8
55.05496	30.4
57.03428	13.0
57.07055	12.1
59.04994	2.0
60.25799	1.7
61.02900	8.6
65.03898	2.3
67.05485	36.1
68.99757	12.8
69.03407	57.1
69.07051	50.6
71.04974	33.0
73.02886	7.6
79.05476	35.9
81.03396	40.1
81.07030	100.0
82.07372	2.3
83.04941	13.5
83.08589	15.6
85.02374	2.4
85.02882	62.1
87.00804	42.0
87.04431	2.7
87.73296	1.7
91.05459	27.1
92.02892	1.6
93.07014	64.8
95.04932	20.2
95.08575	70.3
97.02868	34.7
97.06492	51.1
97.10126	9.3
98.06848	4.2
99.04420	10.6
99.08038	4.2
103.03907	3.6
105.01815	13.2
105.06998	74.9
107.04902	7.1
107.08561	77.5
109.02875	20.9
109.06489	12.8
109.10129	56.8
110.55981	1.6
111.04406	9.7
111.08060	3.1
111.11720	1.9
115.03905	11.1
117.07001	16.8
119.04869	2.1
119.08546	73.4
121.06461	8.1
121.10104	48.3
122.21255	1.7
123.04401	9.3
123.08017	9.8
123.11694	29.8
125.09612	3.6
127.03857	25.4
127.11151	21.4
128.06223	3.0
129.01808	12.3
129.06984	11.7
131.08519	29.1
133.10088	47.1
135.04367	9.6
135.08025	7.1
135.11653	38.1
137.05937	6.5
137.09576	8.4
137.13200	10.2
139.11147	2.7
141.06949	6.8
142.07729	12.2
143.08525	20.9
144.09224	2.3
145.02774	2.5
145.04918	4.2
145.06436	2.5
145.10086	46.4
146.82529	2.0
147.02809	2.6
147.07990	7.4
147.11644	42.6
149.09590	2.4
149.13222	16.4
151.11131	2.4
153.12720	3.5
155.08521	4.2
156.09279	10.4
157.10060	26.9
159.02863	7.4
159.04327	2.3
159.08058	3.5
159.11647	41.9
160.12392	2.2
161.02281	11.3
161.09633	3.5
161.13184	16.4
163.03853	37.2
163.07553	2.7
163.11139	3.1
164.04160	2.4
165.06929	1.7
166.07645	2.1
167.08470	3.5
169.10036	12.6
171.08031	1.9
171.11649	19.4
173.02284	30.8
173.09558	7.4
173.13235	11.1
175.11203	9.3
175.14780	8.5
177.12639	3.9
177.16389	2.2
179.08498	3.4
181.10086	2.1
182.10797	3.4
183.11652	12.6
185.09590	2.5
185.13193	4.0
187.14781	8.5
189.03990	2.4
189.09082	2.3
189.12634	2.0
189.16347	7.5
191.14214	3.0
193.19447	2.6
195.11591	3.8
197.13240	4.3
199.11127	3.3
199.14732	3.6
201.03862	2.9
201.12656	3.8
201.16331	19.2
203.17880	26.3
207.11728	4.3
209.13200	2.5
213.16382	2.9
215.06953	32.1
215.17838	2.4
215.53345	2.0
216.07289	2.8
219.17403	9.0
221.18947	11.0
225.12712	8.8
226.76439	1.9
227.14359	2.0
227.17908	2.9
231.05005	2.8
233.19005	2.6
241.15765	3.3
243.13889	2.3
243.17461	2.4
245.18916	8.1
257.19067	2.4
259.09579	38.5
260.09888	12.0
263.19940	7.3
269.18890	3.2
277.10565	19.1
287.20099	2.9
293.18762	2.4
311.20026	12.3
329.21011	7.9
415.20715	2.6
433.22028	11.0
451.23041	21.4
469.23914	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	469.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27168	1.1
51.49019	1.1
51.82425	1.2
53.00280	2.9
53.03919	5.8
55.01855	13.8
55.05492	18.4
55.64003	1.0
57.03414	8.9
57.07050	3.3
61.02903	2.7
63.39602	1.2
65.71335	1.1
67.05486	18.5
68.90907	1.2
68.99763	3.1
69.03403	26.4
69.07041	41.7
71.04977	17.1
73.02883	2.4
75.28654	1.2
79.05453	24.7
81.03387	19.9
81.07028	41.5
83.04953	6.7
83.08574	5.4
85.02872	32.3
87.00798	20.3
89.03866	2.9
91.05449	18.3
91.11914	1.2
93.07014	32.8
95.04934	10.8
95.08570	32.5
97.02885	11.5
97.06491	100.0
97.10136	2.8
98.06825	7.8
99.04414	6.5
99.08044	1.9
103.03860	1.6
105.01836	7.2
105.06988	40.8
105.43407	1.3
107.04916	5.5
107.08550	27.2
108.75112	1.2
109.02845	12.5
109.06458	5.6
109.10120	31.3
111.04414	4.9
115.03889	2.4
117.01860	1.9
117.03347	5.4
117.06971	7.5
119.04919	1.6
119.08540	38.0
121.06457	8.7
121.10099	22.5
123.04419	4.4
123.08026	5.4
123.11641	11.9
125.09571	2.6
127.03880	8.5
127.11103	9.3
128.06161	2.1
129.01791	5.4
129.06966	7.8
130.09422	1.3
131.08525	18.6
133.02753	1.4
133.06445	1.8
133.10075	23.7
135.04359	16.1
135.08026	5.3
135.11626	15.8
137.09604	1.6
137.13184	2.4
142.07706	2.8
143.08519	12.8
144.09351	1.5
145.02800	10.6
145.06528	1.4
145.10086	22.1
147.07994	2.7
147.11618	21.5
149.13203	6.8
155.08527	5.8
157.10091	13.0
159.02856	6.9
159.04396	7.2
159.08006	2.0
159.11629	21.5
161.02271	22.4
161.09576	2.3
161.13193	5.6
163.03839	74.3
163.11130	1.5
164.04199	6.8
165.12805	1.7
167.08456	3.1
169.10048	5.3
171.11639	9.6
173.02267	63.1
173.09521	2.5
173.13249	6.9
174.02611	2.5
175.14801	2.6
177.12708	2.3
181.10013	2.7
183.11632	4.9
185.06029	2.3
185.09531	1.9
185.13234	5.9
187.03813	1.7
187.07545	1.3
187.14771	2.9
189.12698	2.3
189.16327	6.1
191.03351	2.0
195.11595	2.4
197.13277	2.1
199.11151	1.5
199.14780	1.6
201.12685	3.1
201.16307	9.2
203.17923	10.3
204.02374	1.5
207.11626	2.2
212.90512	1.3
213.12654	1.3
215.06966	71.0
215.14354	1.7
215.17889	2.5
216.07196	11.2
219.17389	2.2
221.18930	2.1
225.12642	5.2
225.16335	1.5
227.17867	2.9
245.18826	2.9
257.18668	2.0
259.09564	72.1
260.09891	20.7
263.19821	1.9
272.19275	1.8
277.10611	38.7
277.13553	2.0
287.19800	2.5
293.19263	1.4
303.13428	1.5
305.21188	1.9
311.19928	8.7
329.20959	5.2
433.21667	3.0
451.23083	10.4
469.24561	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.7
55.01838	3.0
55.05477	4.0
56.96512	0.7
57.03421	4.8
57.07056	1.2
58.38754	0.5
59.04959	0.9
61.02885	1.2
67.05484	6.1
69.03397	7.2
69.07037	5.2
70.75974	0.5
71.04956	10.3
72.05247	0.6
73.02865	3.1
79.05460	8.0
79.34787	0.6
81.03363	0.8
81.07024	13.1
83.04955	5.9
83.08593	0.8
84.12231	0.7
85.02879	7.8
85.06480	1.5
86.06133	0.6
87.04404	1.1
91.05419	5.2
93.03360	0.8
93.07000	13.1
94.07329	1.2
95.04899	3.3
95.08569	8.6
97.02842	4.0
97.06489	3.7
99.04386	1.5
99.08012	0.9
105.06972	4.4
107.08549	5.7
109.06451	2.6
109.10163	4.8
111.04408	2.7
115.05385	2.4
117.06979	1.6
119.04877	0.7
119.08544	2.8
121.10087	13.3
122.10413	1.6
123.04388	1.1
123.07959	0.7
123.11684	2.5
125.09550	0.8
127.03827	1.2
127.07525	1.1
127.11121	2.7
128.06186	1.1
129.06927	1.4
131.04842	3.4
131.08501	4.4
133.06491	0.9
133.10081	1.5
135.04335	1.0
135.11632	1.7
137.05818	1.9
139.03810	1.1
139.11148	9.0
140.04666	0.9
140.11465	1.1
141.06941	7.8
141.45659	0.7
143.08481	3.1
144.05685	1.2
145.06427	4.2
145.10040	1.0
147.04370	2.6
147.11554	1.1
149.05888	0.8
149.09631	0.8
149.13214	1.7
152.52052	0.7
153.09033	0.7
155.06995	1.0
157.06407	2.6
157.10031	0.9
157.12161	1.4
159.04356	3.9
159.07954	4.5
160.05109	0.8
161.05894	6.2
163.03830	3.0
163.07455	0.7
167.08493	2.5
167.14240	3.5
167.21790	0.7
167.70303	0.7
169.06416	17.3
171.07950	3.5
173.05923	6.5
174.06602	1.3
175.03777	8.5
175.07434	5.9
175.14697	0.7
176.04684	1.0
176.70465	0.7
177.05370	0.9
181.06482	0.7
185.05916	0.7
187.07474	16.9
189.05388	3.6
189.09039	7.5
191.06961	18.0
191.10437	0.7
195.07964	4.6
196.16855	1.1
197.05908	13.6
198.06683	3.7
199.07498	2.8
200.04619	16.4
201.08992	1.5
202.06035	0.7
203.06944	0.9
203.10660	0.9
207.09962	0.9
213.08972	6.3
215.04887	1.6
215.06949	39.4
217.08463	3.4
231.10060	3.3
233.08046	7.4
235.09491	2.6
241.08519	3.4
253.17827	1.5
259.09558	22.7
271.18860	0.9
271.22577	1.4
277.10617	21.7
290.89893	0.8
307.24622	0.8
317.08267	11.8
356.19989	0.8
397.66049	0.7
426.16879	0.9
468.27884	0.8
469.12863	100.0
470.13342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.4
55.01852	12.2
55.05487	16.8
57.03413	13.4
57.07051	6.7
59.04966	8.0
61.02899	53.1
63.42178	2.6
64.43376	3.0
67.05472	34.5
68.53077	2.8
69.03397	46.7
69.06724	3.7
69.07047	55.3
71.04961	83.2
73.02882	15.6
79.05069	3.0
79.05448	25.6
81.03381	6.3
81.07026	88.9
83.04944	53.6
83.08589	23.0
85.02871	62.4
85.06515	12.1
86.03149	2.8
87.04414	20.7
91.03905	3.7
91.05431	22.1
92.08695	3.9
93.07002	83.1
95.04935	53.2
95.08567	76.4
97.02857	32.6
97.06491	34.0
97.10109	5.5
99.08054	30.7
105.05451	17.0
105.06966	41.6
106.65944	2.9
107.04945	4.4
107.08557	69.2
109.02853	7.2
109.06469	6.7
109.10125	100.0
111.08070	3.9
111.11678	6.0
112.24594	3.0
113.05968	49.0
115.03893	7.3
117.06974	4.8
119.08531	47.7
121.06483	7.0
121.10104	69.2
123.04371	14.0
123.08016	17.7
123.11672	28.6
125.09556	16.9
127.03875	13.8
127.07469	7.3
127.11150	72.7
131.06993	8.0
131.08514	22.5
133.10085	35.4
135.11635	15.6
137.02316	22.8
137.09573	47.0
139.11093	25.7
140.04639	5.5
141.06888	4.2
143.10640	12.2
145.05002	3.9
145.10046	21.9
147.04399	23.9
147.07999	11.9
147.11652	34.0
149.05922	4.8
149.09581	32.6
149.13203	52.2
151.11121	4.3
153.01788	7.8
153.05377	5.3
155.06972	7.5
155.10593	14.9
157.10083	7.8
157.12184	14.1
159.07990	7.4
159.11580	7.6
161.05934	14.4
161.09444	4.1
163.03857	15.0
163.11124	15.2
165.12619	3.6
167.06993	39.9
167.10626	8.0
167.14249	81.1
169.06467	17.6
173.13197	5.3
173.94377	3.1
175.03801	4.2
175.07523	29.8
175.11212	4.0
175.14767	7.8
181.08501	7.8
187.07361	11.4
189.16272	7.7
197.05969	6.9
200.04607	19.0
205.15837	16.6
215.06984	42.8
217.15819	28.2
223.16803	17.1
235.16867	44.6
239.58482	3.7
253.17894	73.5
259.09589	34.8
271.18921	93.5
289.20004	29.2
303.04819	7.2
304.05255	33.8
305.05386	35.8
306.05637	47.3
318.10239	3.9
329.13538	4.8
346.13687	3.5
347.14859	32.8
392.27377	3.7
421.18405	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.7
53.03923	2.7
53.44728	1.4
55.01856	2.3
55.05497	11.9
57.03413	8.1
57.07060	3.1
57.25520	1.6
59.04974	7.3
61.02906	36.3
67.05477	13.8
69.03405	29.7
69.07041	17.6
70.06541	1.5
71.04961	46.8
73.06533	2.2
75.04457	2.9
79.05457	24.6
81.03394	10.1
81.07024	35.9
83.04951	34.6
83.08586	10.1
84.77161	1.8
85.02876	30.1
85.06523	7.1
87.04426	23.2
91.05433	14.0
93.07001	100.0
95.04954	21.4
95.08568	43.2
97.02856	12.2
97.06515	7.3
99.08060	9.7
105.05469	38.6
105.06969	22.6
107.04933	2.3
107.08556	56.6
109.02844	2.3
109.06500	7.0
109.10116	59.8
111.08054	8.6
113.05960	30.1
119.08552	22.1
121.10096	82.7
121.49123	1.8
123.08028	3.4
123.11666	13.8
125.09571	10.1
127.03881	10.0
127.07505	3.0
127.11153	46.9
131.06982	13.6
131.08521	11.2
133.07550	2.2
133.10080	11.3
135.11670	3.8
137.09590	7.9
139.11130	9.8
143.10622	3.9
145.04953	2.3
145.10085	10.7
147.04355	2.6
147.11568	13.0
149.09560	30.2
149.13187	34.9
151.11090	2.3
155.10628	3.4
157.10101	2.7
159.11632	2.6
161.05905	1.9
163.03838	1.9
163.11092	3.1
167.10654	15.5
167.12840	3.1
167.14253	71.0
169.06445	7.9
175.14822	2.7
185.55652	2.0
187.14703	2.3
193.15982	3.3
197.05872	3.6
200.04683	3.7
205.15775	4.2
215.06950	10.8
217.15837	12.8
223.16888	4.1
235.16814	19.4
253.17807	26.8
259.09506	7.9
271.05853	2.5
271.18933	29.6
289.17252	1.9
289.19864	14.0
293.13757	3.6
311.14828	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	468.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.4
53.03921	0.6
55.01853	3.1
55.05270	0.4
55.05491	6.2
57.03407	2.8
61.02883	1.8
61.80087	0.4
62.40800	0.4
65.03909	0.4
67.05476	4.1
68.05821	0.4
69.03399	8.0
69.07037	6.2
70.06535	0.4
71.01303	0.4
71.04962	14.1
73.02876	0.5
75.41683	0.4
79.05462	8.4
81.03359	1.0
81.07021	8.3
82.07258	0.4
83.04944	3.3
85.02874	10.4
85.06508	0.8
91.05446	2.5
93.06992	6.3
95.04922	3.5
95.08562	5.5
97.02888	3.6
97.03424	0.5
97.06494	14.6
99.04392	0.6
99.08044	2.0
101.72898	0.5
105.06989	5.3
107.04929	0.8
107.08557	20.6
109.02843	1.1
109.06481	2.0
109.10112	6.5
111.04388	1.8
111.08060	0.7
115.05413	4.6
117.06918	0.6
119.08531	3.1
121.10098	7.1
123.04398	1.8
123.08015	1.0
123.11696	0.7
125.09594	3.1
127.03844	0.8
127.07456	0.5
127.11141	17.9
129.06982	0.9
131.04836	0.6
131.08502	3.6
133.06401	1.7
133.10045	0.8
135.04329	1.0
135.11594	0.8
137.05920	0.6
137.09569	11.8
139.03835	0.5
139.11121	2.7
141.06929	2.6
142.07741	0.6
143.04880	13.3
143.08530	0.8
144.05560	0.5
145.02834	0.6
145.04948	0.8
145.06421	0.8
145.10063	0.9
147.04359	2.3
147.11624	3.3
149.05946	0.4
149.09573	25.6
152.56570	0.5
153.09044	0.9
153.12744	0.6
155.10612	10.2
157.06497	0.5
157.10023	0.6
159.04330	0.7
159.07967	1.9
159.11559	0.6
160.05116	1.8
161.02257	2.9
161.05916	29.4
161.09535	0.5
163.03815	9.2
163.11147	1.9
165.12633	1.0
167.08437	1.9
167.10611	21.6
169.06413	4.5
170.07109	0.8
173.02298	3.1
173.04495	0.8
173.05902	19.0
173.13126	0.6
174.06609	0.7
175.03830	4.2
175.07498	1.0
175.30496	0.4
176.04607	3.6
177.05402	3.9
184.05096	0.8
184.07213	0.8
185.05899	0.7
185.09555	1.9
185.11681	2.5
187.07475	5.0
187.14622	0.5
189.05394	100.0
189.16333	0.6
190.05716	2.1
193.15756	0.8
195.07954	4.2
197.05864	4.2
198.06740	0.7
198.51706	0.4
199.07455	0.5
200.04695	3.8
201.08897	0.5
203.10587	0.8
205.15811	2.1
213.08971	4.9
215.04880	0.8
215.06958	20.3
215.10593	2.5
217.08597	0.7
217.15768	1.9
223.07568	0.5
223.16855	7.0
231.10098	19.9
235.16841	12.0
241.08498	7.9
253.17900	7.8
259.09537	25.5
271.18924	37.9
277.10608	7.7
289.20233	0.6
312.76968	0.5
433.23715	3.0
449.14911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05490	2.5
55.91377	0.3
56.05027	0.5
57.03413	1.8
57.07052	0.4
57.75463	0.3
58.38319	0.3
60.07869	0.5
60.08141	8.7
61.02893	1.4
67.05158	0.3
67.05475	2.8
68.99770	0.5
69.03400	3.3
69.07040	3.1
70.97174	0.3
71.04957	5.0
71.07343	3.0
72.94682	0.3
73.02874	0.6
74.09673	2.0
79.05479	2.5
81.03399	0.4
81.07029	7.5
82.07369	0.4
83.04938	2.2
83.08586	1.5
84.68018	0.3
85.02881	4.5
85.06508	1.7
86.09677	45.1
87.04431	0.6
91.05450	1.9
91.29890	0.3
93.07017	5.6
95.04933	2.8
95.08565	5.4
97.02850	0.6
97.06492	2.1
98.98407	3.0
99.08058	1.3
104.10721	4.2
105.06989	3.5
107.08562	4.9
109.06480	1.9
109.10125	6.0
111.04410	0.4
111.08051	1.4
113.05958	2.1
115.03872	0.3
119.08556	2.9
121.06503	0.3
121.10088	4.5
123.08005	0.8
123.11671	0.7
124.99959	31.8
125.09643	1.0
127.03877	1.5
127.07496	0.4
127.11151	3.7
129.06981	0.4
131.08493	1.5
133.04948	0.3
133.10100	2.9
135.04312	0.5
135.08031	0.4
135.11610	0.8
136.04742	0.5
137.02303	3.0
137.09592	4.6
137.13213	0.4
138.02661	0.7
139.11166	2.4
145.08655	0.3
145.10078	2.0
147.11618	2.8
149.09554	2.3
149.13179	1.9
151.11131	0.6
153.01776	4.7
153.09082	0.5
153.82213	0.3
154.02162	2.9
155.02226	1.3
155.10603	2.2
157.10037	0.6
157.12108	0.4
159.11671	0.6
161.05933	0.6
161.09605	0.4
163.03819	1.7
163.11115	0.6
164.04163	2.0
165.12772	0.4
167.10573	1.3
167.14215	2.6
169.06427	1.4
171.02731	0.4
175.03792	0.4
175.11150	0.4
175.14891	0.3
179.44543	0.3
180.03633	0.4
184.07280	100.0
187.07462	1.2
189.16310	0.3
193.15819	0.3
197.05936	1.3
199.13107	0.3
199.14920	0.3
200.04643	0.8
205.15771	0.6
215.06992	2.9
217.15796	2.0
223.16878	1.8
235.16827	4.0
253.17862	5.0
259.09610	3.3
271.18933	6.6
289.06918	0.3
289.20056	1.6
290.07300	1.8
291.07504	1.7
292.07880	3.0
468.23358	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	468.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41408	0.7
51.82645	0.8
55.01845	7.2
55.05485	4.1
57.03421	4.0
61.52778	0.6
67.05468	8.3
69.03400	3.4
69.07042	10.8
71.01314	4.3
71.04974	0.9
73.42481	0.7
79.05454	8.9
81.07006	1.7
82.68208	0.9
83.04951	9.7
85.02872	3.9
88.71815	0.8
89.03843	1.1
91.05454	3.3
92.09439	0.8
93.03377	1.0
95.04926	12.5
97.02818	0.8
97.06488	47.3
97.09526	0.8
105.06979	1.6
111.04420	4.2
115.05413	4.1
115.74364	0.8
117.03370	3.3
117.06976	1.5
119.08531	1.4
123.04384	7.5
128.06183	5.6
129.05435	1.0
129.06950	10.1
131.04887	1.4
131.08492	1.3
133.06458	1.3
135.04347	6.9
139.03873	1.3
141.06927	7.1
142.07726	3.8
143.04826	2.6
143.08490	9.7
145.02826	3.8
145.06450	1.5
147.04346	5.0
147.07950	0.8
149.05872	1.4
152.06082	6.4
153.01784	5.3
153.06952	3.6
156.05644	1.1
157.05052	1.3
157.06404	14.1
157.10059	7.7
158.02992	0.7
159.07970	1.6
160.05109	13.9
161.02263	3.9
161.05908	63.4
163.03833	74.7
165.01901	0.8
165.06964	3.7
166.07751	1.3
167.04840	1.0
167.08499	28.9
168.05614	0.8
169.06398	8.4
169.10106	3.0
170.07242	1.5
171.02844	1.1
171.08003	8.3
173.05894	22.1
174.06679	14.6
174.09041	0.9
175.03838	10.7
175.07454	26.1
176.04597	3.5
177.05399	3.4
177.06862	1.6
179.03419	0.9
179.08456	1.2
180.05508	1.5
181.06432	4.9
184.05127	21.0
185.05934	17.9
185.07588	0.9
185.07910	1.0
185.09511	14.7
187.07442	15.1
189.01820	6.3
189.05380	8.4
189.09036	33.6
190.06223	0.9
195.07980	40.0
197.05869	11.4
197.09575	1.5
198.06706	8.4
199.07465	8.2
200.04625	1.4
201.05400	1.9
201.09079	4.7
202.06168	1.5
203.06946	16.1
203.10657	3.8
207.02824	3.5
209.07477	0.8
212.04607	4.1
213.05434	3.9
213.09019	59.5
215.06944	31.6
215.10622	4.7
217.08522	16.1
223.07460	7.0
226.06151	7.4
229.08481	1.1
230.05591	1.1
231.10075	25.3
241.08487	43.5
259.09543	100.0
277.10562	8.4
289.06952	4.8
359.70303	0.8
433.14740	1.4
451.15997	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	468.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01846	2.5
55.05491	2.0
57.03415	0.9
67.05479	5.2
69.03397	2.9
69.07042	14.7
79.05468	8.2
81.03363	0.4
81.07034	1.8
83.04954	3.8
85.02879	3.4
89.03870	3.9
91.05456	0.6
93.07018	0.7
95.04951	3.5
95.08562	1.0
97.02873	1.0
97.06496	21.0
97.10157	0.4
105.04500	0.6
105.06973	0.9
107.04910	0.8
107.08540	1.9
109.10113	0.5
111.04440	0.6
115.03925	0.7
115.05363	0.5
117.03348	9.2
119.08524	2.8
121.10110	0.6
127.03862	0.7
128.06151	0.5
129.06947	1.1
129.23341	0.4
131.04884	0.6
131.08543	0.7
133.02795	1.1
133.10103	0.6
134.03603	3.9
135.04376	20.1
135.11617	0.5
142.07761	0.8
143.04860	0.7
145.01720	0.8
145.02811	17.1
145.04921	0.7
145.10077	2.4
156.05696	0.5
157.06487	0.8
157.10037	0.8
158.06897	0.5
159.04364	0.8
159.11661	0.6
161.02281	2.0
162.03082	0.9
163.03845	100.0
165.06944	0.5
167.08490	0.9
184.05113	1.0
185.09612	0.6
194.59221	0.5
195.08006	2.2
198.06671	0.5
199.03862	1.0
213.09050	2.1
217.04865	2.9
223.07533	0.5
241.08522	33.7
259.09564	50.8
304.31393	0.5
377.54391	0.6
467.50616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61908	0.7
55.01853	6.7
55.05496	4.3
57.03413	4.4
65.03904	1.2
67.05473	11.1
68.99771	0.9
69.03406	3.6
69.07033	9.3
71.01328	5.2
71.04948	1.0
72.34210	0.7
79.05462	8.7
83.04948	8.1
85.02872	1.3
85.66878	0.8
86.50883	0.7
89.03878	1.6
91.05421	3.2
93.03362	1.0
93.06982	0.9
95.04929	19.4
97.02843	0.8
97.06485	39.3
103.05446	1.0
105.07003	1.8
107.04936	1.1
109.10179	0.9
111.04404	4.4
112.74857	0.8
115.05418	3.3
117.03330	3.0
123.04401	5.9
126.32619	0.9
128.06180	3.4
129.05472	1.4
129.06960	9.4
133.06409	1.6
135.04333	6.1
139.03828	1.8
141.06956	5.3
142.07730	1.6
143.04906	3.3
143.08511	7.0
145.02805	1.6
145.06429	1.7
147.04362	5.4
152.06134	7.0
153.06918	1.4
157.06416	11.8
157.10083	8.6
160.05116	10.8
161.02278	1.8
161.05908	52.5
162.03036	0.7
163.03827	66.6
165.05475	1.5
165.06950	4.0
166.07780	1.3
167.08504	22.7
169.06409	5.0
169.10016	0.9
170.07243	1.3
171.08000	4.7
173.05901	17.5
174.06696	9.3
175.03845	9.6
175.07466	16.5
176.04649	2.9
177.05391	2.8
177.06821	1.2
181.06517	3.1
184.05118	17.8
185.05881	13.3
185.09483	10.3
186.06680	1.3
187.07480	12.3
189.01773	1.6
189.05475	4.8
189.09018	35.1
195.07979	31.6
197.05812	5.5
198.06694	6.8
199.07396	6.6
200.04614	1.6
201.05377	1.4
201.09058	5.9
202.06233	1.6
203.06960	10.6
203.10648	3.1
207.02872	3.3
209.04468	3.0
212.04691	1.6
213.05701	1.5
213.09029	52.3
215.06950	24.7
215.10336	5.5
217.08498	15.6
223.07506	5.8
226.06209	5.2
229.08540	1.1
230.05760	1.0
231.10095	19.0
241.08470	28.6
249.11143	1.1
259.09528	100.0
260.10071	0.9
271.15500	0.9
277.10565	14.9
478.30746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03790	0.8
51.73995	0.8
54.81014	0.9
55.05507	0.8
55.66195	0.9
64.90105	0.8
67.05490	1.6
69.07019	1.0
79.05471	1.4
81.07033	2.3
83.08546	1.1
86.75636	1.1
91.05426	1.5
92.62813	1.0
93.06982	2.1
95.08595	2.3
98.42989	0.9
99.03073	1.0
105.07022	1.7
107.08572	5.4
114.35816	1.0
119.08572	6.4
121.10122	1.7
131.08487	1.0
133.10091	1.0
143.08574	1.3
145.10095	4.8
147.11633	1.0
159.11659	1.5
171.11624	1.5
239.08795	1.0
421.30615	1.9
423.28598	3.3
467.34879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80630	3.0
55.05483	13.0
57.07049	4.0
62.74754	2.5
63.86469	2.8
64.32034	2.9
67.05471	13.8
69.07035	19.9
79.05451	15.4
81.07030	25.8
83.08593	3.9
91.05447	18.5
93.07004	44.8
93.32442	3.4
95.08575	39.7
105.06994	46.7
107.08559	60.2
109.06503	6.7
109.10137	18.8
111.08051	3.9
116.48460	3.2
117.06992	6.1
119.08544	100.0
121.06453	4.3
121.10103	41.5
123.08002	5.4
123.11672	6.5
131.08511	34.9
133.10104	45.6
135.08028	15.0
135.11656	31.9
142.07761	4.8
143.08531	22.9
144.09300	5.6
145.10086	78.5
147.11705	28.1
149.09631	4.9
149.13220	16.7
149.15752	3.3
156.09296	7.7
157.10068	47.1
158.10864	4.3
159.11624	52.3
161.09541	4.4
161.13205	15.6
163.07495	12.3
163.11221	3.9
163.14789	7.4
169.10059	5.4
170.10893	6.9
171.11609	29.7
173.13205	28.2
175.11140	5.5
175.14783	20.5
183.11626	13.6
185.13222	36.9
187.14769	39.9
189.16312	6.1
191.14114	5.4
197.13136	4.6
199.14774	51.9
201.16409	25.5
203.14207	5.0
205.15813	3.9
209.13275	4.0
211.14839	3.5
213.16281	12.8
217.15866	4.4
221.15347	12.2
245.15369	3.6
265.01816	3.2
325.66843	3.5
403.29651	14.6
421.30835	15.2
423.32449	13.1
467.25604	4.1
467.31375	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	24.7
57.07038	7.8
64.07493	3.3
67.05467	26.7
67.16317	4.1
69.07042	46.3
73.55935	4.1
79.05444	23.8
81.07026	38.1
82.04031	3.8
83.04951	40.0
83.08587	8.3
91.05432	27.9
93.07005	53.1
95.04939	7.7
95.08555	53.2
97.06484	5.6
101.05917	5.0
105.07000	70.8
107.08558	93.2
108.31993	4.2
109.06511	5.5
109.10124	39.1
111.07986	4.7
117.06983	8.0
119.08538	100.0
121.10106	55.5
123.07996	7.5
123.11652	6.6
125.77248	4.6
128.06178	5.7
129.06950	5.8
131.08525	69.3
133.06383	5.2
133.10080	50.7
135.08009	9.8
135.11639	24.5
137.09621	4.1
142.07678	5.4
143.08498	32.5
144.09283	8.4
145.10068	72.8
147.08022	6.4
147.11652	34.5
149.09579	6.9
149.13199	20.3
155.08528	7.4
156.09334	5.4
157.10089	41.0
159.11629	53.3
161.13217	37.8
163.03893	5.8
163.11136	5.2
163.14734	6.8
167.08545	4.8
168.09082	4.1
169.10034	23.6
170.10818	6.4
171.11633	29.2
173.13171	38.8
175.10951	4.4
175.14752	34.0
177.09010	6.2
177.16208	5.7
181.10014	5.1
182.10793	4.3
183.11615	32.0
185.13170	39.9
187.14757	48.8
189.16310	10.4
191.14212	9.3
197.13145	20.1
199.14761	35.5
201.16310	36.2
203.14160	8.6
211.14819	15.0
213.16328	23.0
213.18221	4.2
221.15321	6.4
225.16287	8.6
227.17844	19.2
237.16098	5.6
239.17940	8.2
245.15280	9.3
253.19446	17.2
255.21077	4.8
338.02637	7.6
394.08807	9.1
403.29929	16.9
405.31360	7.1
421.30927	88.3
423.32166	9.2
449.30252	9.8
467.31577	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00447	2.5
52.09869	2.3
53.03929	2.9
55.05500	24.7
57.07051	5.0
67.05478	30.9
69.03391	17.1
69.07040	25.9
71.04930	3.1
79.05457	29.9
81.03376	5.3
81.07027	75.9
83.04943	21.9
83.08598	6.2
83.17404	2.3
85.02888	9.7
86.40443	2.5
91.05448	35.7
93.07007	69.1
95.04934	11.7
95.08567	55.3
97.06479	5.6
97.10126	5.5
105.06996	93.7
107.07885	5.2
107.08562	88.1
107.09081	2.2
109.06474	12.3
109.10118	50.6
111.08028	4.3
117.06975	14.6
119.07734	5.2
119.08537	100.0
121.06413	3.5
121.10099	74.3
122.51919	2.4
123.11659	26.7
125.09540	5.2
127.03902	4.3
128.06145	5.9
129.06935	12.4
130.07713	2.8
131.08528	62.7
133.10077	76.1
135.07985	3.6
135.11629	26.5
137.05939	2.6
137.09547	6.4
137.13293	2.9
141.06950	3.1
142.07753	6.4
143.08507	37.0
144.09265	3.3
145.10083	88.6
147.11655	35.9
149.09550	4.6
149.13214	16.5
151.11072	4.0
155.08492	16.7
156.09326	10.9
157.10078	54.7
158.10774	3.8
159.11641	66.0
161.13193	20.5
163.11104	3.9
163.14716	3.9
165.41164	2.7
167.08565	4.6
168.09306	11.5
169.10078	24.1
170.10803	10.4
171.11569	28.2
173.13206	42.5
175.14748	28.1
177.12602	4.4
177.16356	6.2
181.09990	3.2
182.10838	5.7
183.11623	49.4
185.13176	36.6
187.14769	44.5
189.12686	4.8
189.16386	10.3
191.14258	5.1
191.17865	4.2
193.10107	5.2
195.11613	12.4
197.13187	21.0
199.14777	36.0
201.12698	56.0
201.16338	20.7
203.14331	5.1
205.12215	11.7
205.15848	20.1
207.11656	4.3
209.13228	5.6
211.14725	17.9
213.16316	12.8
215.14316	5.6
217.15659	4.1
219.17392	4.0
223.14717	10.5
225.16290	9.9
227.17801	3.7
231.11699	3.3
237.16283	3.6
239.17865	5.2
247.13248	13.3
257.15540	3.9
265.19388	3.3
287.23605	4.9
306.33875	2.8
403.29718	19.8
405.31512	3.7
421.30841	19.7
431.28949	6.1
449.30301	27.8
467.25928	3.5
467.31583	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.05489	9.6
57.07054	1.9
58.54705	1.2
59.78959	1.1
65.03933	1.2
67.05473	10.2
69.07050	14.9
71.05015	1.4
79.05470	10.2
81.03375	13.0
81.07021	28.6
83.04942	6.8
83.08562	4.3
85.02882	2.2
91.05443	18.1
93.07008	34.8
93.88435	1.4
95.04926	12.8
95.08572	45.2
97.06495	1.7
97.71455	1.4
105.07008	44.1
107.04910	1.4
107.08571	45.5
109.06492	6.2
109.10130	16.4
115.05394	1.3
117.06981	11.6
119.08541	99.6
121.06493	2.2
121.10103	25.0
123.08030	53.0
123.11673	7.4
128.06172	2.3
129.06950	7.7
131.08519	36.2
133.06419	2.4
133.10089	39.3
135.08025	11.4
135.11621	12.4
137.09605	5.2
141.06921	2.1
142.07748	2.9
143.08502	20.7
144.09296	2.2
145.10080	70.9
147.08009	6.8
147.11641	33.1
149.02336	4.9
149.09610	5.0
149.13205	8.6
151.11211	2.5
155.08507	7.0
156.09299	7.0
157.10083	20.3
158.10893	4.7
159.08046	5.5
159.11636	29.3
159.63618	1.2
161.09598	15.5
161.13194	44.2
163.07512	2.5
163.11115	2.3
163.14761	14.8
169.10065	6.2
170.10863	2.3
171.11610	16.6
172.12404	1.9
173.09612	11.4
173.13184	30.0
175.11198	10.1
175.14780	22.7
177.12764	2.1
177.16370	7.6
179.14200	1.4
182.10825	2.1
183.11671	8.0
185.09531	2.4
185.13176	13.7
187.11140	9.7
187.14761	58.1
189.12692	15.9
189.16309	27.2
191.14278	6.2
191.17903	2.6
193.04875	2.1
193.12186	2.1
195.11739	2.4
196.12431	1.8
197.13194	8.9
199.11092	2.7
199.14787	16.1
201.12730	6.7
201.16325	24.0
202.76447	1.2
203.14211	12.3
203.17891	2.1
205.12169	2.5
205.15927	1.9
207.13728	2.7
211.14726	5.7
213.12724	5.1
213.16280	12.9
215.14291	22.4
215.17848	16.2
217.15901	2.9
225.16222	1.8
227.14227	2.6
227.17793	5.4
229.13733	1.3
229.15742	10.3
229.19548	2.7
231.13731	5.5
231.17278	4.8
233.15283	15.4
237.16402	1.9
239.17856	1.9
241.15556	1.4
241.19453	7.3
243.17508	1.9
245.15401	1.4
247.16954	3.1
249.16100	1.5
251.17889	1.9
257.29584	1.7
259.16858	5.4
267.21060	2.6
273.18417	2.3
285.18576	1.7
287.19897	2.7
307.24225	1.7
375.30612	2.7
377.28235	5.1
403.29788	13.5
405.31360	4.7
407.63449	1.5
421.30908	29.1
423.28729	100.0
431.29285	1.4
449.30179	12.7
467.31427	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3146
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03917	1.8
53.35160	0.8
54.00455	0.7
54.68530	0.9
55.05495	15.0
57.07052	1.5
62.35384	0.9
67.05482	14.4
69.03387	1.6
69.07034	8.9
71.04962	1.7
79.05463	13.6
81.07027	33.5
83.04952	100.0
83.08582	2.2
85.02866	1.2
91.05452	21.2
92.08586	1.0
93.07010	28.5
95.04936	9.4
95.08572	28.3
97.06475	1.8
99.08092	1.1
105.06996	62.6
107.08562	42.0
109.06485	5.9
109.10121	16.3
111.08012	1.7
115.05431	2.1
117.06945	9.8
119.08539	56.2
121.06479	1.2
121.10104	21.3
123.08035	4.2
123.11660	8.0
125.09575	1.7
128.06163	2.4
129.06940	6.3
130.07719	2.1
131.08517	40.0
133.10083	25.7
135.08046	1.3
135.11623	9.1
137.09554	1.1
139.43555	1.1
141.06979	1.9
142.07753	9.8
143.08516	19.7
144.09314	4.2
145.10072	46.0
147.08005	1.4
147.11641	25.2
149.05963	1.3
149.09537	1.8
149.13148	7.2
155.08495	8.4
156.09315	5.7
157.10083	30.0
158.10809	2.5
159.08002	2.2
159.11639	42.7
161.09558	1.6
161.13196	14.2
163.07495	2.2
163.14780	2.0
167.08374	1.3
168.09320	6.0
169.10059	10.1
170.10794	4.4
171.11639	16.9
172.12402	1.6
173.09589	1.2
173.13174	34.9
175.14801	9.1
177.16246	1.7
180.09265	1.4
181.10100	1.6
182.10808	1.6
183.11623	34.5
184.12505	1.6
185.13173	14.0
187.14758	15.9
189.12776	1.1
189.16319	1.8
191.14326	1.8
195.11598	5.3
197.13156	10.8
199.11180	1.3
199.14774	20.1
201.12677	57.4
201.16263	10.0
203.14270	6.4
203.17845	1.3
205.12173	7.7
209.13171	2.3
211.14691	8.5
213.16360	5.8
215.14264	4.6
217.15799	2.4
219.17323	1.3
221.15359	4.5
223.14729	2.4
225.16339	3.9
229.15787	1.8
231.13800	1.9
237.16298	1.6
239.17909	2.1
245.15269	1.6
247.13185	16.6
251.17973	1.9
257.15314	1.6
263.17816	1.4
339.26810	1.6
387.30023	1.2
391.25970	2.0
403.29633	8.6
405.31067	1.8
409.40714	1.2
421.30627	9.4
431.29059	2.0
449.30215	10.0
467.31393	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	467.3146
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.46926	1.2
53.03913	1.2
55.05494	9.2
57.07056	2.8
57.11043	1.3
57.78250	1.4
59.68896	1.4
67.05488	10.5
69.07040	9.8
79.05462	11.8
81.03383	10.3
81.07021	23.6
83.04974	6.7
83.08590	3.4
85.06535	1.8
91.05437	18.6
93.07010	25.3
95.04945	12.3
95.08574	36.0
105.06992	37.8
107.04941	2.0
107.08561	38.2
109.06456	2.0
109.10127	16.1
117.06962	12.3
119.08542	77.9
119.09422	2.6
121.10102	26.4
123.08033	41.3
123.11664	2.2
124.67890	1.7
125.09594	2.3
129.06975	3.5
131.08521	28.7
133.06406	1.7
133.10068	27.5
135.07993	12.6
135.11649	12.0
137.09607	3.6
142.07764	3.1
143.08508	19.3
145.10086	47.4
147.08025	3.6
147.11652	25.6
149.02324	3.5
149.09593	1.6
149.13237	9.6
155.08560	5.7
156.09331	2.2
157.10071	14.5
159.08026	3.4
159.11630	25.0
161.09563	10.2
161.13194	26.8
162.01903	1.5
163.11090	2.6
163.14732	14.0
169.10054	8.8
171.11664	15.6
172.12373	1.7
173.09583	18.1
173.13231	19.5
175.11166	7.5
175.14771	21.8
177.12766	2.3
177.16362	3.7
179.14275	2.1
181.10156	1.8
182.10803	2.2
183.11673	7.5
185.13187	15.8
187.11130	7.1
187.14761	41.5
189.12790	11.6
189.16339	16.8
191.10728	1.5
191.14273	6.6
193.04919	3.4
197.13200	5.2
199.11160	1.8
199.14801	12.8
200.12128	1.5
201.12769	3.7
201.16338	22.2
203.10612	1.8
203.14243	9.0
203.18031	2.4
207.13808	2.3
211.14705	3.4
213.16318	10.9
215.14258	17.8
215.17972	6.6
217.15778	2.9
225.16113	2.0
227.14156	2.7
227.17848	6.0
229.15839	9.1
231.13640	2.4
231.17360	2.4
233.15240	8.8
239.17807	2.5
241.15836	2.7
243.17166	2.4
245.15483	2.0
247.16791	3.0
251.17729	2.1
259.16861	2.7
273.18546	2.1
286.23224	1.6
305.22604	2.3
375.30276	1.9
403.30060	12.4
405.31198	3.1
421.30875	34.5
423.28732	100.0
449.30142	15.0
467.31598	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	467.3144
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.00472	1.4
52.05471	1.3
53.03942	1.2
53.35297	1.2
55.05484	7.1
57.07055	1.9
67.05478	10.8
69.07047	13.6
71.08582	1.4
75.56780	1.7
79.05450	13.5
81.07018	24.1
83.04944	3.5
83.08601	2.6
91.05437	16.5
92.08651	1.6
93.07005	33.8
95.04934	3.9
95.08571	33.5
96.72247	1.5
99.04430	2.1
105.07003	50.2
107.08560	43.7
109.06496	3.1
109.10141	13.1
111.04376	3.4
111.08026	2.2
117.06974	9.7
119.08540	67.3
121.06458	6.9
121.10091	29.3
123.08028	7.2
123.11666	7.0
129.06926	3.7
130.07732	1.5
131.08524	81.8
133.10083	32.6
135.08028	16.9
135.11662	12.4
142.07776	2.2
143.08501	12.4
144.09296	2.9
145.10083	76.7
147.07993	8.0
147.11653	31.7
149.09549	6.2
149.13174	7.2
155.08440	2.1
156.09282	2.9
157.10042	16.0
158.10901	8.8
159.08005	2.2
159.11638	38.9
161.09554	10.5
161.13188	31.2
163.07443	1.9
163.11151	10.9
163.14772	17.5
165.09120	1.8
169.10074	2.3
170.10851	2.4
171.11635	8.6
172.12514	2.6
173.13200	92.9
175.11154	5.7
175.14764	13.7
177.12651	1.5
177.16264	2.1
183.11615	6.9
185.13168	14.6
187.11240	1.9
187.14763	44.1
189.12686	10.5
189.16322	11.8
191.14236	100.0
194.57520	2.4
197.13257	2.6
199.14781	15.0
201.12698	7.7
201.16324	76.0
203.14308	12.5
203.17896	12.3
205.15709	3.2
209.13150	2.2
211.14833	3.2
213.16295	6.4
215.14301	2.1
217.15755	2.8
219.13763	23.8
219.17261	2.7
221.15154	1.8
227.17851	3.2
229.15811	8.7
247.16846	9.9
363.26617	1.8
403.29901	9.2
421.30762	35.2
423.32593	3.5
439.32196	2.2
449.30121	8.2
467.31482	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	467.3147
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.55006	1.1
55.01844	1.6
55.05490	11.8
56.55486	1.0
57.07057	3.1
63.44919	1.0
67.05477	16.2
69.03391	6.1
69.07042	18.3
70.00379	1.1
71.04947	5.1
71.69739	1.0
77.47916	1.4
79.05448	14.6
80.19740	1.1
81.03400	1.8
81.07021	36.3
83.04942	5.7
83.08578	8.6
85.02875	5.4
91.05439	21.8
93.06426	1.8
93.07004	39.6
95.04909	2.6
95.08560	43.0
97.06464	6.5
101.05969	5.7
103.05417	1.5
105.06999	50.4
107.08561	66.1
109.06478	6.8
109.10117	24.4
111.08031	2.9
117.06966	8.5
119.08537	100.0
120.09656	1.2
121.06483	2.3
121.09271	2.4
121.10092	40.5
123.07992	7.2
123.11659	7.6
129.06946	5.9
130.07759	2.3
131.08531	32.0
133.10089	49.1
135.08052	10.5
135.11646	28.8
137.09535	6.1
137.13179	3.1
140.32092	1.2
142.07724	7.2
143.08504	18.5
144.09285	8.4
145.10072	74.0
147.08003	2.7
147.11642	25.4
149.09581	5.6
149.13214	21.3
151.07507	1.8
151.11150	1.4
155.08549	5.1
156.09244	10.6
157.10071	43.8
158.10822	6.8
159.08002	1.8
159.11629	46.7
161.09538	8.5
161.13197	22.0
163.07460	9.4
163.11113	17.8
163.14758	11.2
165.09010	1.8
169.10083	7.1
170.10805	12.2
171.11609	28.2
173.13191	33.4
173.14595	2.7
175.11119	5.8
175.14763	23.3
177.12677	5.7
177.16315	2.0
179.10591	4.7
183.11613	14.8
184.12355	6.0
185.13202	32.6
187.11128	2.7
187.14761	47.5
189.12740	2.6
189.16360	15.8
191.14238	21.6
193.12141	1.6
193.15851	2.0
195.11618	1.6
197.13197	11.4
199.11035	1.6
199.14757	46.8
201.12666	1.8
201.16315	24.7
203.14243	5.6
203.17857	2.4
205.15814	6.0
209.13118	1.6
211.14760	5.2
213.12593	1.6
213.16289	6.9
215.14246	2.8
215.17912	2.7
217.15788	5.6
221.13202	1.9
221.15236	17.9
225.16341	2.2
227.14268	1.7
227.17825	6.8
231.13686	1.4
231.17383	5.6
233.15242	5.2
235.14774	1.7
235.16872	8.3
245.15361	4.5
251.17812	2.1
253.19385	1.8
255.20923	1.5
350.08389	1.3
403.29822	9.8
405.31213	6.4
421.30762	32.9
423.32397	18.3
431.29111	2.4
449.30341	6.1
467.25974	1.9
467.31577	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	467.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93502	32.5
56.96534	5.9
69.03395	5.0
70.97343	3.4
72.08114	4.3
72.93753	16.5
74.98983	4.2
81.03371	4.6
81.45068	4.5
83.04942	9.1
85.02882	6.8
88.62737	3.6
98.97559	9.7
105.27282	4.0
107.04890	5.4
111.04395	5.5
117.03362	3.5
119.04916	4.6
123.04395	16.5
135.04341	9.2
136.06207	5.5
139.03835	6.5
143.00079	4.8
147.04390	6.0
149.01083	5.9
161.01192	5.9
163.03833	53.5
164.04141	4.9
165.97073	16.3
181.96507	9.2
182.97371	9.3
183.98174	31.1
198.96927	5.1
199.97536	32.0
200.98361	21.3
207.98152	5.9
209.96005	4.6
210.96716	6.5
211.97440	5.1
221.96083	26.9
224.98431	8.2
225.99091	36.9
227.97044	53.8
228.97830	19.6
235.94011	4.3
237.02798	8.2
239.96994	8.9
251.96953	53.8
261.99142	4.7
269.98010	6.8
289.98001	5.4
335.98975	18.1
384.01120	29.6
426.02390	8.5
437.22275	4.1
444.03360	100.0
480.32181	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	466.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	53.8
65.94329	5.0
67.84959	5.3
69.62852	5.6
71.08596	29.9
83.08565	5.8
85.10138	10.7
89.06002	100.0
97.97304	6.3
133.08548	28.6
155.86252	6.3
180.25769	6.1
194.66458	6.6
239.14871	23.6
257.28601	6.2
309.05170	5.4
338.90970	6.4
350.43759	6.9
449.38562	11.4
449.58554	6.6
473.60089	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	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05484	0.6
57.03423	6.5
57.07056	2.2
61.02901	1.9
62.19788	0.3
67.05478	4.1
68.33054	0.3
69.03408	8.1
69.07043	3.6
71.01340	0.7
73.02889	12.1
79.05469	6.5
81.03374	0.6
81.07027	100.0
82.07372	0.7
85.02876	12.9
87.04430	0.4
93.07013	1.7
95.08572	18.8
97.02851	11.4
99.04414	0.4
107.08557	0.5
109.02840	0.8
109.10130	1.6
115.03889	8.2
127.03859	3.5
133.04930	2.3
135.11710	0.4
137.13205	12.2
143.42375	0.4
145.04901	2.4
150.07689	0.5
163.05959	2.3
241.07101	0.7
259.08105	1.4
269.17291	0.5
295.10205	2.6
380.28592	0.4
457.74753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.05498	0.5
57.03419	4.2
57.07056	1.9
59.04975	0.5
61.02906	0.3
67.05481	3.0
69.03407	15.4
69.07046	4.3
75.04427	0.4
79.05460	6.1
81.03396	0.5
81.07027	100.0
85.02879	12.3
87.04440	12.6
91.05463	0.4
93.06998	1.2
95.08573	18.4
96.42799	0.3
97.02858	14.5
109.10117	1.3
115.03088	0.5
115.03895	14.0
120.13284	0.3
120.47725	0.3
127.03856	1.5
133.04926	14.0
137.13206	12.6
138.89546	0.4
145.04942	1.5
147.11659	0.6
150.07672	0.5
170.03256	0.4
188.27727	0.5
241.06964	0.5
259.08041	0.8
260.40671	0.3
273.19858	0.4
277.09048	0.6
278.19415	0.3
295.10223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05494	1.4
56.87280	0.7
57.03420	17.5
57.07061	2.2
59.04985	1.1
61.02901	6.1
67.05479	7.3
69.03400	23.4
69.07047	10.3
71.01321	1.2
71.05007	1.0
73.02889	27.6
75.04407	0.9
79.05457	8.6
81.03384	1.5
81.07027	100.0
83.04930	1.7
83.08591	1.0
84.06387	0.9
85.02882	26.9
85.06527	1.6
87.04443	5.0
93.06997	5.7
95.04961	1.4
95.08574	28.2
95.09147	1.7
97.02856	22.1
107.08557	3.7
109.02834	1.6
109.10137	3.9
111.11684	3.4
115.03888	17.9
121.10180	1.5
123.11660	1.2
127.03871	6.4
131.08606	1.1
133.04941	8.2
137.13208	18.2
145.04939	4.0
147.11696	1.1
150.07649	1.2
151.95547	0.9
155.14272	2.0
163.03926	1.4
163.06024	3.9
167.03412	2.0
168.03687	1.4
230.62018	0.9
241.07132	1.0
259.08017	1.5
269.17474	4.5
276.47305	0.9
295.10141	4.0
304.08923	1.7
354.31635	1.1
445.59518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.5
53.03931	1.5
55.05481	3.3
57.03408	8.7
59.04971	2.7
61.02903	3.4
67.05479	12.8
69.03401	18.5
69.07034	13.5
71.04967	37.6
73.02882	3.6
78.14561	1.6
79.05462	15.4
81.03368	3.0
81.07021	37.4
83.04950	9.3
83.08573	1.5
83.73692	1.5
85.02864	21.1
85.06504	5.9
91.05439	21.8
93.06998	27.1
95.04900	11.9
95.08558	37.8
97.02847	11.0
97.06499	8.8
99.04436	3.3
99.08022	2.6
105.07001	41.1
107.04916	1.7
107.08546	29.1
109.02866	1.6
109.06470	14.5
109.10113	25.7
111.08055	2.5
113.09622	11.2
117.06977	7.0
119.08535	100.0
121.06499	7.6
121.10079	17.9
123.08014	8.6
123.11704	2.3
125.05939	3.0
125.09594	15.3
127.03887	3.4
127.07513	8.1
129.07016	1.6
130.07750	2.1
131.08516	57.1
133.04886	2.1
133.10136	14.6
135.07985	2.2
135.11661	8.2
137.02338	2.6
137.05943	3.1
137.09573	59.5
143.08543	3.1
143.10844	1.5
145.08728	3.1
145.10066	44.7
147.07970	20.6
147.11665	8.3
147.33495	1.5
149.09592	6.8
153.01802	1.5
153.09079	2.5
155.10590	13.5
159.08020	2.2
159.11607	6.1
161.09579	1.5
161.13260	1.9
163.11104	12.8
164.94415	1.7
165.12694	3.4
167.10608	2.6
173.13206	11.6
175.11108	2.5
177.08882	1.4
181.84871	1.4
187.14725	22.2
205.15791	23.9
215.14192	23.1
233.12944	3.3
233.15263	82.7
251.16318	64.2
258.04663	1.8
269.17484	10.8
277.14169	1.7
287.18384	6.0
303.04697	3.5
304.05231	9.4
466.30093	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	466.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.2
53.03926	0.9
53.49026	0.1
55.01858	2.2
55.05488	0.7
57.03419	4.4
57.07063	1.4
59.04971	0.4
61.02901	2.8
62.64066	0.1
65.03906	0.2
65.11871	0.2
67.05481	3.9
69.03402	8.7
69.07036	3.9
71.01320	0.7
71.04958	0.7
71.08606	0.2
73.02884	13.3
79.05458	6.5
81.03374	1.6
81.07024	100.0
82.07355	0.3
85.02872	17.8
87.04428	1.6
89.04103	0.2
90.37894	0.2
91.03925	1.0
91.05427	0.4
92.08715	0.2
93.06995	1.7
95.04943	0.3
95.08569	18.8
97.02854	11.6
99.04415	1.1
101.02368	0.3
103.03910	0.9
103.74763	0.2
105.06971	0.4
107.08580	0.8
109.02847	1.7
109.10147	1.4
115.03895	5.1
120.19171	0.2
121.10005	0.2
123.11692	0.3
127.03864	5.4
127.04801	0.2
128.98569	0.2
133.04915	5.7
133.10075	0.4
135.04433	0.2
135.11658	0.4
137.13206	13.4
145.04912	5.9
147.04306	0.2
154.15817	0.2
155.14293	0.2
163.05927	2.4
175.37523	0.2
177.12680	0.2
183.08089	0.2
193.05061	0.2
214.61638	0.2
217.07082	0.2
219.01616	0.2
220.03552	0.2
223.06012	1.2
237.02751	0.4
241.07024	1.4
251.16412	0.2
259.08020	3.0
265.81821	0.2
277.09006	0.4
287.05533	0.2
295.10129	2.6
296.89270	0.2
304.05090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.3
53.03933	2.8
53.80335	1.0
54.81031	1.0
55.01846	7.8
55.05496	5.6
56.58355	1.0
57.03417	7.6
61.02898	5.5
67.05469	8.0
69.03403	27.7
69.07036	5.1
71.04962	46.9
73.02872	10.9
73.06537	9.8
75.59850	1.3
79.05453	9.3
80.07032	1.3
81.03384	18.5
81.07018	29.9
83.04943	3.1
83.08621	1.2
85.02872	43.6
85.06524	9.7
86.03203	1.8
86.09671	5.7
87.00804	16.5
87.15054	1.3
91.05424	3.3
92.09296	2.7
93.06994	21.9
95.04939	5.3
95.08575	17.5
97.02847	17.4
97.06490	28.7
99.04411	7.1
99.08054	46.8
104.10696	3.1
105.01831	13.7
105.06983	15.5
107.08559	22.1
108.78107	1.2
109.02847	11.7
109.06477	7.2
109.10123	11.0
111.08025	7.0
113.05963	1.5
119.08553	7.5
121.10081	9.6
123.04405	2.2
123.08034	3.1
123.11681	8.2
124.99950	1.7
127.03858	24.0
127.07493	17.4
133.10086	3.0
135.11649	9.4
136.11942	2.6
137.09554	5.4
137.13182	10.7
139.07474	1.4
145.04941	6.6
145.10115	2.9
147.11641	15.1
149.09473	1.6
149.13252	1.7
153.01788	2.6
153.12700	11.0
154.13051	3.0
155.08485	1.6
159.02832	5.9
163.11139	1.4
165.12650	13.8
183.08061	4.5
183.10181	2.9
183.13727	100.0
184.07289	4.9
193.12099	1.8
208.17679	1.5
211.07523	11.8
213.03726	1.4
229.08475	2.7
231.04840	3.2
233.15292	6.8
249.06084	2.1
251.16312	7.9
269.17416	9.4
286.07727	1.8
290.07053	2.2
303.04941	2.7
304.05121	12.9
351.84918	1.3
394.00012	1.3
431.18961	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	466.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05482	0.5
57.03423	3.2
64.00588	0.3
65.92355	0.4
67.05473	1.6
69.03388	2.5
69.07037	0.7
69.97459	0.4
71.04945	0.8
73.02888	0.6
79.05461	6.2
80.04977	0.3
81.03396	0.8
81.07013	3.5
83.04950	0.6
85.02885	4.8
85.06484	0.5
91.05438	3.6
93.07018	1.0
93.73710	0.4
95.04938	3.3
95.08562	2.3
97.02830	1.8
97.06469	0.6
99.04425	0.6
99.08054	0.6
103.05423	6.6
105.06998	6.1
107.04920	56.9
107.08546	2.1
109.06479	1.0
109.10119	2.0
115.05394	2.3
117.03345	0.5
117.06963	1.6
119.08569	1.4
120.05668	0.8
121.06456	0.9
121.10086	0.6
123.04362	1.8
124.05164	2.1
125.05937	1.5
131.04884	2.5
133.06441	2.2
135.08005	16.7
137.05864	0.8
137.09573	2.4
141.90271	0.4
145.02817	0.5
145.07555	1.7
147.04315	0.6
147.11708	0.6
149.05940	0.8
151.03860	0.5
151.07466	0.4
152.04547	0.9
154.06190	2.6
155.10577	0.8
163.07484	35.0
165.05373	0.7
165.09106	0.8
167.06975	100.0
168.07602	0.7
177.05377	1.5
180.07710	3.7
181.08563	0.7
193.08543	5.1
195.10107	26.0
211.09563	4.2
213.11148	35.8
233.15216	0.9
269.13751	0.8
287.14780	32.4
315.10260	0.5
341.61938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.7
53.03920	6.0
54.94183	1.4
55.01842	6.3
55.05491	10.6
57.03201	1.0
57.03415	14.0
59.04984	2.5
61.02890	8.5
67.05472	10.0
67.38593	1.1
69.03404	31.4
69.06225	1.2
69.07036	10.9
71.04964	45.1
73.02895	15.2
73.06509	9.5
73.06881	1.2
73.29614	1.2
79.05458	16.6
81.03392	25.2
81.07021	44.4
82.07343	1.7
83.04927	5.5
85.02874	50.8
85.06508	11.9
86.09670	5.9
87.00806	16.1
87.04424	1.4
91.05411	7.2
93.07005	30.7
95.04910	5.4
95.08573	20.5
97.02861	23.2
97.06482	26.9
97.23067	1.5
97.23882	1.3
98.97500	2.0
99.04405	6.7
99.08056	57.1
104.10686	7.3
105.01835	13.2
105.06990	17.6
107.08562	23.5
108.08900	2.1
109.02869	14.7
109.06461	7.1
109.10114	10.7
111.08012	6.4
115.03886	3.2
119.08539	8.5
121.10075	9.7
123.08022	6.0
123.11627	8.6
123.75531	1.3
124.99944	1.7
127.03870	20.9
127.07495	15.0
129.01781	1.9
131.08527	3.0
133.04987	1.5
133.10072	3.5
135.08096	1.4
135.11642	16.4
136.12001	1.9
136.47371	1.3
137.09569	5.0
137.13181	8.8
139.11151	2.1
140.19606	1.6
141.12654	1.7
145.04889	10.9
145.10068	5.8
147.04390	1.6
147.11617	15.2
151.11154	1.4
153.12645	17.2
154.02055	1.7
154.13029	2.5
155.08495	1.5
159.02814	9.3
159.11635	2.9
161.09619	1.8
165.08942	1.5
165.12674	16.0
173.07503	1.3
173.13313	1.3
183.08073	5.1
183.10173	2.5
183.13739	100.0
184.07249	8.2
193.12350	2.0
211.07491	11.9
215.14331	1.8
231.04901	2.7
233.15279	2.5
249.05954	1.8
251.16341	9.3
269.13806	1.8
269.17334	7.6
286.07779	5.6
288.05777	1.8
289.05899	1.7
303.04984	5.0
304.02109	2.1
304.05209	15.0
431.18774	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	466.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	57.1
57.20172	1.0
58.84243	1.0
59.04977	7.9
60.04501	1.4
61.02898	8.5
69.03406	94.2
70.06569	1.2
71.01311	4.6
73.02888	55.2
75.04455	2.9
81.03384	8.6
85.02878	93.3
86.60513	1.1
87.04438	46.5
87.04933	2.4
91.03909	1.9
97.02854	73.4
98.29564	1.2
99.04423	1.7
109.02833	8.1
111.04414	7.4
115.03895	61.2
119.01816	1.4
123.04362	1.8
127.03876	11.4
133.04926	48.4
137.02293	100.0
137.05969	2.4
144.06526	1.4
145.04900	12.7
147.04408	3.0
150.07578	9.2
155.03348	87.7
155.04622	2.9
176.59967	1.4
177.79457	1.2
180.08594	1.7
214.41911	1.3
241.07162	2.3
259.08069	1.6
266.92297	1.2
341.29639	1.2
449.08896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78888	0.3
57.03415	5.3
59.04959	0.4
61.02885	0.4
68.68464	0.3
69.03405	13.1
73.02873	0.8
73.12511	0.4
75.04462	0.8
80.14244	0.3
81.03348	0.4
81.07027	0.5
85.02875	9.1
87.04440	7.1
94.04169	1.6
95.04904	0.4
97.02858	7.8
97.54803	0.4
107.04937	0.5
112.31619	0.4
113.83202	0.3
115.03886	7.6
122.03590	4.8
123.04378	2.1
127.03828	0.6
133.04907	5.2
135.09935	0.3
137.05930	100.0
145.04875	0.6
150.07535	1.5
155.03308	0.7
157.85838	0.3
163.03891	0.7
327.02927	0.4
379.61731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00755	2.0
54.80681	2.3
55.82543	2.7
57.92595	2.5
74.52055	2.5
90.34515	2.3
92.09390	5.4
98.15623	2.4
128.85498	2.4
280.36288	2.9
282.52759	3.0
352.19611	3.2
428.42984	3.0
465.35345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74662	0.9
53.00288	0.9
55.01852	2.0
55.05499	13.2
55.64758	0.9
57.03423	16.1
60.30762	0.9
61.02902	6.5
65.03922	1.0
67.05485	29.5
69.03399	5.4
69.07043	20.5
71.04960	8.3
73.02888	1.3
79.05459	16.3
81.03376	1.8
81.07026	99.5
83.04951	8.0
83.08601	7.1
85.02890	9.2
85.06524	6.8
88.61124	1.1
91.05443	24.3
92.08718	2.0
93.07011	22.1
94.07356	1.2
94.89156	1.1
95.04911	1.6
95.08571	23.4
97.02882	5.2
97.06490	10.4
99.04417	1.5
99.08056	4.0
102.40764	1.0
105.06297	1.7
105.06998	44.5
107.04952	1.2
107.08560	21.0
107.09218	1.5
109.02818	1.3
109.06476	9.0
109.10155	1.9
111.08102	1.8
115.03904	1.8
119.08534	36.8
121.10105	24.8
123.08031	7.0
123.11670	38.1
126.82198	1.2
127.03945	1.5
127.07510	5.2
129.06950	1.7
131.08522	1.7
133.10106	5.9
135.11662	2.3
137.13248	2.4
145.10068	1.5
147.11649	82.9
149.09604	1.3
153.01845	2.0
157.10059	2.6
159.06334	1.0
163.03886	1.7
165.12706	28.5
175.11195	2.2
183.13701	2.5
193.12172	2.0
216.07558	1.9
217.08295	1.5
229.14363	9.3
250.15053	1.0
267.15787	47.8
268.16132	1.9
285.16867	100.0
288.05841	1.3
289.06262	1.3
303.04977	15.8
421.14615	4.8
447.22339	4.5
465.13367	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	465.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.6
55.01842	2.6
55.05492	33.2
57.03409	3.9
57.07051	14.3
61.02890	3.1
63.43755	1.8
65.03909	3.0
67.05481	50.7
69.03387	17.3
69.07035	29.5
71.04954	3.5
77.59402	1.8
78.51227	2.0
78.68320	1.7
79.05453	43.3
81.03384	22.9
81.07021	75.7
83.04944	4.9
83.08583	14.2
85.02869	26.5
85.06512	13.7
91.05428	40.1
92.09319	4.8
93.07004	100.0
95.04936	32.2
95.08562	80.2
95.09139	4.1
97.02852	13.2
97.06471	11.1
97.10127	8.8
99.04394	3.6
99.08088	3.2
105.06982	52.7
107.08549	70.8
109.02834	8.2
109.06499	4.6
109.10111	39.2
111.04420	2.5
111.08050	3.6
117.06971	14.0
119.08525	60.8
121.06453	3.4
121.10094	70.0
123.04329	2.1
123.08049	10.1
123.11648	15.4
127.03846	9.7
131.08530	26.9
133.06413	3.8
133.10089	40.0
135.08035	3.8
135.11633	27.3
137.05934	4.2
137.09550	3.7
137.13235	4.9
142.07674	3.4
143.08510	9.4
143.16835	2.7
145.10052	35.1
147.08017	2.3
147.11638	39.7
149.02284	26.4
149.09560	8.9
149.13208	14.8
150.02597	9.5
151.11186	2.7
155.08478	2.8
157.10069	18.9
159.07967	3.4
159.11609	41.7
161.09560	4.1
161.13181	27.7
163.03787	3.4
163.11128	4.6
163.14735	8.6
165.12582	2.1
169.10049	9.1
171.11615	9.7
173.09583	3.8
173.13161	30.7
175.11104	3.4
175.14784	9.4
177.12709	3.7
181.10036	3.1
183.11542	5.2
185.13161	9.8
187.10983	2.5
187.14713	21.9
189.12596	4.0
189.16328	13.7
191.17993	2.7
193.04910	21.5
194.05276	17.4
197.13205	8.1
199.14752	3.5
201.12726	3.1
201.16356	11.1
203.17885	8.9
211.14645	2.8
213.16354	8.7
215.14240	3.4
217.15796	2.2
227.17932	4.7
229.15855	3.6
229.19398	11.5
237.07487	10.4
238.07800	13.1
243.17308	3.2
257.22528	15.0
267.20953	4.9
275.23584	3.8
285.21942	23.2
303.04825	15.9
303.23083	19.1
334.35199	2.6
386.09399	9.1
429.26260	4.6
430.11810	13.4
447.27252	21.4
462.56833	2.3
465.28555	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	465.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	2.3
53.03915	1.3
53.99016	1.0
55.01850	2.4
55.05498	9.4
55.41437	1.0
57.03159	1.1
57.03418	24.9
57.07046	2.5
59.04971	7.6
61.02893	9.6
67.05466	6.3
69.03403	58.9
69.07045	22.9
71.01315	1.4
71.04961	32.3
73.02884	9.7
73.06530	6.6
73.17401	1.2
75.04457	1.5
79.05444	12.1
81.03399	9.6
81.07024	44.3
83.08595	5.2
85.02875	69.6
85.06514	1.6
86.09659	2.1
87.04427	26.8
91.03914	1.9
91.05424	10.0
93.07009	43.7
95.04935	3.1
95.08574	10.5
97.02853	42.8
97.06497	2.7
99.04423	2.7
105.07012	14.6
107.08562	39.5
109.02837	5.4
109.06472	9.1
109.10114	6.5
111.04389	1.7
111.08081	1.4
115.03896	27.6
117.06948	1.9
119.08531	8.4
121.06428	1.9
121.10121	1.3
123.04380	2.1
123.44012	1.3
125.13197	2.5
127.03874	7.2
131.08507	1.6
133.04915	22.2
133.10085	2.6
135.11646	48.3
137.02246	5.2
145.04938	6.8
145.10020	1.5
153.01768	14.4
153.12698	93.9
163.03844	7.5
163.05986	1.5
165.01839	2.4
165.12715	6.0
201.05350	1.8
229.04828	9.2
249.14532	1.8
257.04294	3.2
267.15799	2.0
285.16809	3.0
289.06708	3.2
297.16818	1.6
303.04889	100.0
310.34308	1.4
315.18140	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01836	1.4
55.05479	1.4
57.03411	3.1
57.42645	0.3
61.02888	1.4
65.03902	0.5
66.90379	0.3
67.01831	0.3
67.05470	2.0
68.99764	0.6
69.03040	0.4
69.03403	9.5
69.07030	1.3
71.01308	0.4
71.04968	2.2
73.02504	0.3
73.02886	9.7
75.04433	1.5
79.05463	5.5
81.03384	8.7
81.07030	3.9
83.04926	2.1
85.02868	8.9
85.06496	0.4
87.04426	1.9
91.03918	0.6
91.04898	0.4
91.05441	7.7
93.03379	0.4
93.07007	34.1
95.04921	2.7
95.08555	2.7
96.74947	0.3
97.02863	3.2
99.04418	1.7
103.05418	1.3
105.04469	0.6
105.06988	6.3
106.04157	0.3
107.01253	0.4
107.04907	3.3
107.08553	2.8
109.02843	2.5
109.06477	0.5
109.10104	1.4
111.00773	0.4
111.04400	1.8
111.08048	2.0
112.57700	0.3
115.05433	0.5
117.06987	3.0
119.04906	1.3
119.08537	30.6
119.18039	0.3
121.02780	0.4
121.06474	3.4
121.10098	36.2
122.10409	0.3
123.04410	3.0
123.08029	1.6
123.11621	1.1
124.05181	0.5
125.05988	0.6
127.03881	2.8
128.06148	1.4
129.05417	1.5
129.06953	3.2
130.06459	0.2
131.04895	0.6
131.08514	3.1
133.06427	1.6
133.10083	1.6
134.06755	0.4
135.04347	1.2
135.07957	0.5
137.02284	4.9
137.03416	1.1
137.05907	1.8
138.05405	2.5
138.09091	1.4
139.11136	0.4
140.04646	1.3
143.08560	0.3
144.05643	0.4
145.02800	1.8
145.04909	1.1
145.06419	0.6
145.10063	1.1
146.07265	0.3
147.04385	0.6
147.11617	0.4
149.02309	0.3
149.05943	1.8
149.09566	6.9
151.03896	0.6
151.07471	1.5
153.01776	6.0
153.05424	1.0
153.06844	0.3
155.06947	1.3
157.06418	1.9
157.44353	0.3
158.05948	0.3
159.08051	0.3
159.11650	0.4
161.05920	6.7
161.09564	1.5
161.13106	0.4
163.03864	2.1
163.07521	2.3
165.01768	1.4
165.05380	0.3
165.06808	0.4
165.09012	1.4
165.10381	0.3
166.04913	4.1
166.06227	1.4
167.06989	10.4
167.08417	0.6
167.10616	4.8
168.18422	0.3
173.05896	0.4
173.09505	0.3
174.06685	2.1
175.07462	1.7
177.05365	2.0
177.09029	1.1
178.02454	0.4
179.03154	0.5
179.08496	0.4
181.06955	0.5
181.08521	6.3
183.04324	0.4
187.03848	0.7
189.05415	1.3
189.09044	7.0
191.06911	0.4
191.08626	0.4
191.10568	0.6
193.04900	0.3
195.01027	0.6
195.02817	17.0
195.07988	0.4
197.09593	0.7
201.05406	1.1
201.09137	0.5
203.17830	0.5
205.04906	1.3
207.08131	0.4
207.10097	1.6
210.06712	0.3
211.07430	0.5
214.12065	0.3
219.08107	0.7
219.10101	3.4
221.05957	0.3
223.07492	0.5
224.08305	0.3
225.09033	1.8
227.06943	1.2
229.04892	3.2
229.12233	0.4
233.04431	1.1
237.09071	0.6
243.02809	1.5
247.05879	0.6
251.10522	0.5
253.08487	1.6
255.06262	0.4
257.04407	2.8
257.12491	1.8
259.09601	0.3
261.03833	1.6
265.08408	0.4
267.19458	0.5
272.11414	1.7
274.04626	0.5
274.09351	0.4
275.05435	1.3
275.13724	0.5
279.10049	0.5
283.09540	1.5
283.12827	0.6
285.03790	1.0
285.11478	2.6
285.20541	0.6
287.05435	1.4
288.05740	1.6
289.06357	2.5
293.13654	1.2
297.11060	0.3
302.04068	0.6
302.11404	0.4
303.04877	100.0
303.13116	9.7
304.05200	3.2
311.12469	0.4
315.12100	1.2
317.13641	1.6
329.13440	0.4
343.15225	2.5
345.05963	0.6
346.14209	0.4
359.14816	0.6
360.15570	2.9
361.16302	8.4
435.20023	2.2
465.10162	9.0
466.10013	0.3
476.28967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	1.3
53.03922	2.2
54.81107	1.1
55.01857	12.3
55.05481	5.2
56.05015	2.1
56.96544	15.4
57.03415	12.4
59.04970	2.7
61.02633	1.6
61.02899	19.1
63.38493	0.9
67.05487	1.6
69.03403	50.3
70.06560	7.4
70.31913	0.9
71.01324	1.6
71.04564	2.4
71.04962	67.0
71.07176	1.0
73.02888	13.1
74.06041	1.2
75.04419	2.1
81.03384	18.7
81.04511	7.0
83.04941	2.3
84.04465	1.6
84.08142	1.9
84.95996	1.5
85.02366	2.5
85.02876	68.7
85.06512	1.4
86.03159	1.1
87.04427	12.0
88.07574	1.4
91.03909	5.2
91.05468	4.4
95.04910	2.6
96.04466	1.2
97.02856	43.0
97.06483	2.0
98.06017	86.9
98.97544	33.2
99.04418	55.4
101.02328	1.6
101.05979	1.2
103.05417	1.1
109.02849	10.2
110.05999	4.7
110.97514	1.6
112.02810	1.4
112.07587	2.2
112.99091	9.0
115.02311	1.3
115.08638	1.2
116.07052	43.1
116.98579	19.5
117.05463	2.2
118.02805	1.4
119.01855	9.7
119.04913	5.5
120.06641	1.4
121.01573	2.0
121.08607	1.4
123.04410	7.5
124.04768	1.6
124.07542	4.4
124.99052	1.2
125.06010	1.3
126.09148	1.2
127.03921	13.6
128.98555	8.7
130.08595	1.2
131.00119	14.2
131.01796	8.0
131.03505	1.4
132.03395	1.1
133.01674	1.6
133.03404	5.7
134.99606	8.3
135.04393	2.3
136.06116	5.4
136.07504	9.2
137.02910	2.0
137.07857	2.1
138.05403	8.3
140.06989	8.9
142.08598	7.0
143.00113	2.7
143.01917	4.4
145.01657	4.9
145.03378	5.2
145.04927	6.6
146.99550	8.9
147.03099	2.1
147.04350	8.4
147.05072	5.2
148.03831	1.8
148.07559	4.9
149.01184	14.5
149.02769	2.1
152.07014	11.6
153.00572	1.2
153.05574	1.1
154.03841	1.5
155.01884	4.8
155.04527	1.3
156.05402	2.3
157.01651	1.3
157.03427	5.0
157.09714	1.6
158.99603	7.6
159.04999	1.9
160.07481	1.3
161.01196	7.6
161.02937	9.0
162.09180	1.7
163.02728	7.4
163.04343	7.2
164.07019	1.7
165.00652	1.6
165.05841	2.4
166.05783	1.4
166.08549	2.6
167.02190	1.9
169.04329	6.1
170.05087	2.4
170.08014	4.1
170.99593	1.8
171.05011	7.3
172.07585	2.2
172.94286	1.4
173.01187	5.2
173.02930	7.4
175.02722	5.4
175.04346	2.0
176.07008	28.9
177.00645	11.4
177.04120	4.8
177.06006	1.4
178.04868	33.6
178.06400	1.4
178.08589	5.8
178.55078	2.2
179.02197	1.7
179.05127	1.6
181.03618	2.3
182.08051	7.6
183.08394	1.3
184.04897	1.6
185.01115	2.1
185.02837	1.4
185.06526	2.2
186.11197	2.1
187.04468	2.5
188.09093	19.0
189.00696	4.7
189.04373	1.8
189.06055	6.7
190.08565	11.7
191.02214	4.2
192.10223	1.6
193.03801	6.2
194.07988	1.5
199.04425	1.5
200.06996	1.3
201.00635	1.6
201.04341	1.9
201.06053	6.7
201.07722	1.3
203.02130	2.5
203.03961	2.1
203.07581	2.4
203.13925	2.3
205.03754	2.6
206.08073	1.9
208.09520	1.5
211.04726	6.0
213.06061	1.7
218.08064	17.1
219.01654	14.5
221.04980	12.3
231.07262	3.9
232.96426	4.3
235.08484	3.0
235.10681	23.5
237.02708	33.9
238.03140	2.4
238.10739	8.3
239.04256	1.8
245.05037	6.4
248.99037	2.4
250.06900	1.7
250.10625	17.0
255.03758	2.7
257.05185	1.4
257.14993	1.5
259.06726	5.9
261.03052	1.3
267.13358	1.8
275.03976	1.2
279.03848	1.5
285.14450	6.9
289.07550	1.4
291.09189	15.1
293.05392	1.7
303.00558	1.2
303.15396	88.8
307.08234	1.2
308.09335	2.1
308.59259	1.3
309.10220	5.1
316.08868	1.5
317.09668	13.1
317.60040	6.9
318.10550	18.0
318.60733	4.7
319.08563	1.4
321.10178	1.9
325.07614	1.2
337.07907	6.4
346.10260	4.2
355.09027	4.8
405.03656	2.7
465.14120	4.0
465.20621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00387	0.5
52.19607	0.5
53.03913	3.6
54.80956	0.6
55.01840	3.6
55.05251	1.1
55.05495	25.4
56.05812	0.5
57.03420	7.9
61.02889	1.2
65.03914	0.6
66.91418	0.5
67.05476	4.7
68.99769	0.7
69.03031	0.9
69.03402	23.5
69.07030	1.4
70.06549	0.8
71.04949	4.1
73.02507	0.8
73.02886	12.7
75.04426	4.0
79.05460	17.0
81.03384	16.3
81.07011	9.4
82.06532	4.9
83.04940	5.4
83.08585	13.5
84.04484	1.2
85.02876	19.0
85.06513	1.0
87.04422	2.9
91.04905	0.8
91.05447	20.7
92.08751	0.8
93.03331	0.7
93.07005	94.0
95.04935	5.5
95.08574	7.3
97.02859	9.5
97.06481	1.4
98.06004	0.7
98.09647	1.2
99.04390	3.9
100.07581	5.0
100.11217	48.9
101.11552	5.1
103.05424	1.2
103.21404	0.7
105.04443	0.9
105.06989	19.3
106.07796	0.6
107.04900	0.6
107.08550	10.6
109.02846	4.9
109.10114	3.3
110.06008	1.5
111.00807	0.8
111.04399	10.2
111.08038	3.1
112.04733	0.6
112.07558	1.2
115.03883	1.1
115.05404	0.7
115.26022	0.6
117.06957	4.1
117.13850	0.8
119.08535	61.2
121.02836	4.9
121.06464	2.7
121.10095	100.0
123.04385	2.5
123.08020	4.9
126.09096	2.4
127.03860	3.2
128.07028	3.6
129.05414	3.2
129.06914	1.3
131.08495	6.8
133.06410	1.0
133.07582	2.6
133.10062	3.6
135.04333	0.8
135.07918	0.9
135.11638	3.2
137.02310	5.9
139.08649	0.8
139.11134	0.9
140.07002	1.5
143.08514	0.7
145.04924	1.2
145.10098	1.2
147.04369	2.6
147.08031	0.8
147.11571	1.0
149.02289	1.0
149.09573	26.5
151.03867	2.7
151.11211	0.6
153.01799	11.4
154.12247	1.3
161.05885	0.8
163.03824	4.8
164.14183	0.8
165.01799	1.4
167.03334	35.1
167.10609	14.6
168.13803	0.7
177.00555	0.7
177.05487	0.8
181.98367	0.6
182.15326	15.0
183.15663	2.9
189.05370	9.4
201.05328	2.8
205.05008	0.7
207.06418	5.1
209.16447	4.3
210.14832	13.5
210.16716	1.3
211.15192	1.5
215.06895	5.1
226.19038	0.9
229.04866	3.2
229.08521	8.2
247.09676	2.7
257.04376	2.6
257.11612	6.4
267.09998	0.8
267.15616	0.7
275.12610	2.2
285.11121	3.7
287.05362	3.7
288.05737	2.6
289.06033	4.3
293.13721	6.9
303.04874	68.9
303.12134	1.5
311.14804	3.4
348.26022	2.5
365.28629	0.8
400.79922	0.6
401.30191	3.1
401.80154	0.7
429.15338	1.3
447.16391	1.4
455.32562	5.6
455.82822	8.3
456.32745	2.5
464.33179	24.3
464.83237	31.1
465.09778	2.7
465.16708	1.2
465.33374	17.6
465.83224	4.6
474.33856	3.1
475.32739	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	465.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88421	0.2
53.03919	1.5
55.01859	2.0
55.05477	1.5
56.52185	0.2
56.96555	0.3
57.03415	3.5
61.02887	1.2
64.09914	0.2
65.03913	0.6
67.05467	1.6
68.99768	0.5
69.03403	9.4
69.07045	0.4
71.04949	1.7
72.75985	0.2
73.02492	0.4
73.02886	8.6
75.04449	1.9
79.05456	4.7
80.81257	0.2
81.03385	7.8
81.07021	3.9
83.04938	1.5
83.08578	0.3
85.02869	10.1
85.06505	0.6
87.04420	1.5
89.41836	0.3
91.03909	0.3
91.05437	7.2
93.03379	0.4
93.07005	33.5
95.04935	2.3
95.08571	2.7
97.02854	4.3
97.06496	0.3
99.04403	2.0
103.03917	0.5
103.05414	1.5
105.07001	5.8
106.07764	0.4
107.04920	2.0
107.08538	1.7
109.02831	2.3
109.06509	0.4
109.10093	1.5
111.00748	0.3
111.04418	2.1
111.08043	1.7
115.05392	0.4
117.06947	2.2
119.04858	0.4
119.08532	29.3
121.02829	0.5
121.06454	2.4
121.10092	38.4
123.04370	2.0
123.08005	1.1
127.03874	2.2
128.06219	0.4
129.05392	1.1
129.06947	2.3
131.04893	0.4
131.08527	2.4
133.06433	1.6
133.07449	0.3
133.10066	1.5
134.06731	0.3
135.04430	0.3
135.08005	0.5
135.11597	1.2
137.02292	4.1
137.03409	1.1
137.05928	1.3
138.05443	1.6
138.09074	0.5
139.03928	0.3
140.04626	1.1
145.02806	1.5
145.04924	1.4
145.06445	0.5
145.10078	1.1
146.07268	0.3
147.04359	0.3
147.11661	0.5
149.02318	0.4
149.05943	1.5
149.09558	6.6
151.03822	0.5
151.07469	0.6
153.01782	5.9
153.05428	0.5
154.02570	0.4
155.06964	0.6
155.08464	0.3
157.06427	1.3
159.07993	0.4
161.05927	3.6
161.09526	0.5
163.03859	1.6
163.07484	1.1
165.01750	0.7
165.05565	0.3
165.06888	0.5
165.09076	0.4
166.04936	2.5
166.06207	0.6
167.06989	4.6
167.08273	0.4
167.10614	5.0
171.61800	0.3
174.06685	0.6
175.07458	1.3
177.05431	1.9
177.09106	0.4
178.02551	1.1
181.08540	3.3
187.03854	1.4
189.05400	0.6
189.09039	4.0
191.03374	0.4
194.57835	0.3
195.02818	20.0
195.07996	0.6
201.05424	1.7
201.09102	0.3
203.17924	0.6
205.04912	1.2
207.10086	0.4
215.03285	0.5
219.10083	1.2
221.09554	0.5
229.04884	2.7
233.04350	1.8
237.09151	0.4
239.10927	0.4
243.02885	1.9
245.37523	0.3
247.05952	0.6
253.08502	0.4
257.04218	1.7
257.11511	0.8
261.03836	1.2
267.10571	0.3
272.11441	0.7
274.09406	0.5
275.05252	0.5
279.10181	0.3
283.13028	0.3
285.03940	0.6
285.11401	1.5
285.20499	0.4
287.05417	1.3
288.05759	0.5
289.06436	1.4
293.13757	1.2
302.04184	0.3
303.04877	100.0
303.13000	6.3
304.05219	2.6
315.12268	0.6
317.13763	0.4
343.15228	1.1
345.05731	1.1
346.14063	0.4
360.15579	1.1
361.16180	4.2
435.19812	1.1
447.15717	0.4
465.10132	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	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.20881	0.3
57.03429	0.3
61.02892	0.3
61.52690	0.2
66.15407	0.2
67.05489	0.6
68.99766	1.1
69.03400	1.7
70.69809	0.3
73.02891	0.3
79.05459	0.2
81.03390	0.6
81.07027	0.3
83.04948	2.1
85.02876	3.0
93.03370	1.3
93.07036	0.3
93.64200	0.3
95.04918	1.2
97.02889	0.5
99.00785	2.6
107.04954	0.5
109.02847	1.3
111.00765	1.8
111.04425	2.4
117.01806	0.4
121.02809	2.6
123.04368	1.3
127.03893	0.6
129.05441	0.7
131.04892	0.3
135.04376	2.1
137.02306	6.9
137.05972	1.0
139.03874	1.4
145.02797	0.3
145.06470	0.6
147.04391	0.3
149.02284	0.6
153.01781	7.4
157.04999	0.5
161.05872	0.5
163.03845	3.6
163.07516	0.4
164.04169	0.6
165.01794	4.7
166.02524	0.4
173.05963	0.6
175.05981	0.3
183.02876	1.5
183.04315	0.5
187.03847	0.4
195.02827	0.3
201.05423	4.1
205.04910	0.3
213.05344	0.3
219.06531	1.1
224.26865	0.3
229.04903	8.0
239.03346	0.4
247.05939	1.3
257.04361	6.8
259.78622	0.3
274.04596	1.3
275.05423	0.5
285.03671	2.2
303.04898	100.0
303.13126	2.2
304.05328	1.2
364.37302	0.3
465.09766	2.3
465.19589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
54.49155	0.2
55.01850	0.4
57.03400	1.8
58.94193	0.2
59.04975	0.4
61.02882	0.5
67.05479	0.4
68.99761	0.5
69.03399	4.3
69.07028	0.4
70.83535	0.2
71.01327	0.4
71.04968	0.5
73.02887	29.1
76.55505	0.2
77.58282	0.2
79.05461	0.5
79.53399	0.2
81.03387	0.5
81.07014	1.9
83.04936	0.3
85.02879	9.7
87.04428	3.3
91.05431	0.6
92.63129	0.3
93.03406	0.4
93.07004	4.7
95.04923	0.4
95.08566	2.1
95.88868	0.3
97.02853	4.0
98.04488	0.3
99.04413	1.4
105.06995	1.3
107.08572	5.6
109.02835	0.6
109.06449	0.3
109.10100	0.4
111.00749	1.7
115.03877	2.0
117.05482	0.5
119.08530	0.5
121.02828	1.4
127.03860	1.1
131.08492	0.3
133.04906	1.8
133.10083	0.4
135.04395	1.0
135.11636	4.1
137.02292	4.2
145.04868	0.5
145.10071	0.3
147.11664	0.3
149.02299	0.4
153.01768	7.3
153.12717	2.3
154.60138	0.3
161.05902	0.3
163.03844	1.6
165.01813	3.4
171.13631	0.3
173.05942	0.5
183.02826	0.6
187.03990	0.4
191.03342	0.3
201.05402	2.6
219.06418	0.3
227.36192	0.3
229.04936	7.0
247.05856	0.6
253.02248	0.3
257.04349	4.1
274.04684	1.3
285.03806	1.5
287.05368	1.5
288.05704	0.6
289.06375	1.9
301.98291	0.3
303.04886	100.0
304.05209	0.6
314.61829	0.3
336.52029	0.3
388.62888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55540	0.7
52.86906	0.7
53.00290	1.0
53.03936	1.0
53.44733	0.7
53.63359	0.8
53.91727	0.8
55.01849	2.2
55.05491	4.5
57.03418	13.4
57.07060	1.5
59.04961	5.1
61.02896	4.6
67.05465	5.1
69.03405	26.8
69.07031	5.1
71.04969	35.0
72.79791	0.9
73.02892	13.1
73.06530	10.2
79.05463	8.3
81.03397	6.9
81.07031	48.2
83.04941	1.3
85.02879	47.7
85.06503	1.4
87.04436	18.4
91.05441	4.2
93.07008	33.9
93.99156	0.9
95.08587	9.7
97.02850	22.5
97.06488	5.7
99.04416	2.2
105.07008	4.1
107.08569	26.7
109.02837	6.1
109.10119	5.9
111.04386	2.0
111.08036	1.8
115.03893	54.4
115.56121	1.0
119.05891	1.0
119.08519	2.4
121.06526	1.4
121.10074	2.2
121.86547	1.0
123.04404	1.1
123.11713	1.3
125.05913	1.1
126.11261	0.9
127.03889	16.7
133.04924	17.7
133.10048	1.1
135.04378	0.9
135.11659	44.1
145.04921	10.3
145.10068	1.7
153.12700	100.0
163.03818	1.8
163.05946	2.3
163.14740	1.1
181.12169	4.2
259.08093	1.3
277.09061	14.0
287.05377	3.9
288.05887	7.3
303.04758	4.1
333.19034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1015
Annotation	Quercetin 3-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03922	0.5
55.01848	0.3
57.03414	1.8
58.77491	0.2
59.45073	0.2
61.02607	0.3
61.02900	4.8
62.77953	0.2
65.03893	0.3
67.01817	0.3
68.99760	0.9
69.03404	4.6
70.21675	0.2
71.04957	0.4
73.02897	1.5
81.03362	2.1
85.02877	10.7
87.04428	0.4
91.03899	0.9
92.09381	0.3
93.03364	0.3
97.02859	4.2
99.04394	0.4
101.02314	0.2
109.02840	1.8
111.00772	1.4
111.31983	0.2
121.02810	1.7
127.03845	1.7
135.04393	0.3
137.02284	6.4
137.25574	0.2
145.04921	1.1
153.01778	7.3
155.04820	0.4
161.05974	0.3
163.03812	1.1
165.01755	3.5
166.02629	0.2
173.05913	0.9
183.02797	1.0
183.04332	0.8
187.03850	0.4
195.02817	0.8
201.05399	3.2
205.04837	0.4
207.02818	0.3
211.03738	0.4
219.02853	0.4
219.06509	0.4
229.04872	7.4
239.03487	0.3
247.05914	1.1
257.04288	4.7
269.12393	0.2
274.04636	1.2
285.03738	2.1
303.04877	100.0
367.49213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01853	1.7
55.05493	7.6
55.13537	0.7
57.03422	11.2
57.07046	1.5
61.02906	7.1
63.09641	0.7
67.05479	6.5
69.03404	26.0
69.07039	5.7
71.04964	6.8
73.02884	11.5
75.04449	4.6
79.05453	19.0
81.03385	16.1
81.07032	8.6
83.04955	1.9
83.08595	3.5
85.02871	65.5
85.06519	1.8
87.04426	18.2
91.03925	3.4
91.05437	21.5
93.07008	100.0
95.04945	8.9
95.08557	8.5
97.02853	21.0
97.06469	7.3
98.97512	0.9
99.04397	4.5
105.06995	9.5
105.11239	1.0
106.09047	1.0
107.08560	97.5
109.02851	10.8
109.06476	4.8
109.10157	7.3
109.10790	0.8
111.04441	1.2
111.08048	5.4
115.03893	45.9
119.08508	6.9
121.06461	3.3
121.10122	8.6
123.08066	1.1
125.09531	0.9
127.03873	21.1
131.08481	1.0
133.04936	9.9
133.10103	4.0
135.11649	42.3
145.04900	19.4
145.10066	3.4
147.08029	0.9
147.11601	3.5
149.05931	1.7
149.09560	1.1
153.01765	3.3
153.12682	3.9
161.09575	1.2
163.05949	1.9
163.07391	1.0
163.11139	1.6
175.07478	1.1
203.14195	1.0
231.13828	1.2
253.17940	3.6
259.08020	6.4
267.19556	3.7
274.04559	1.1
277.09109	7.0
285.20557	1.8
287.05386	8.4
288.05728	18.6
303.04758	5.0
317.06482	5.4
318.06870	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81227	0.7
55.01847	4.4
55.05516	0.7
56.09061	0.6
57.03417	7.7
61.02894	1.3
63.57871	0.6
67.05478	0.7
69.03402	5.4
73.02892	0.7
79.05478	5.3
81.03361	1.2
81.07014	1.0
85.02866	10.2
91.05447	19.9
93.07016	3.4
95.04929	3.2
97.02865	3.6
97.06494	1.0
103.05438	5.9
105.03349	4.8
105.06998	26.2
106.04137	1.8
107.04925	10.4
107.08471	1.0
108.05665	0.9
108.44094	0.8
109.02848	1.3
109.06487	7.2
109.10177	0.8
115.05427	2.9
118.04112	1.8
119.04902	31.9
121.06465	13.1
123.04362	1.2
123.08007	4.2
125.05941	1.7
127.03850	1.3
128.06084	0.8
131.04874	1.1
133.06451	25.4
134.03593	4.3
135.04385	5.9
135.07990	1.1
136.05191	5.7
137.05945	3.6
140.04628	10.6
143.05966	1.6
145.04858	0.9
146.03615	1.7
147.04413	7.5
149.05939	21.8
151.07484	15.9
151.39882	0.8
153.05418	81.6
153.08990	1.5
161.05922	53.1
163.03813	1.6
163.07541	0.8
164.04620	0.8
167.06973	20.7
168.07761	100.0
177.05396	3.3
178.06177	14.6
179.07004	11.2
180.07761	0.9
181.08530	5.1
182.09291	0.9
191.06932	1.6
193.08543	51.2
196.07240	79.7
206.64940	0.8
209.08026	7.6
210.08722	0.7
211.09589	71.3
217.59087	0.9
222.34676	0.8
229.73026	0.8
248.23593	0.8
267.12228	5.7
285.13223	52.0
422.20044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27756	0.2
52.50753	0.2
53.03917	1.2
55.01857	2.9
57.03419	5.8
58.79153	0.3
61.02610	0.4
61.02901	8.9
67.05479	0.4
67.87599	0.2
69.03403	18.1
71.01305	0.3
71.04974	2.5
73.02888	4.4
76.55753	0.2
79.05438	0.4
81.03387	7.6
82.53039	0.3
83.01294	0.5
83.04929	0.4
85.02872	100.0
86.03238	0.3
87.04447	2.1
91.03912	4.7
91.05457	0.4
93.07006	0.6
95.08579	0.4
97.02850	24.5
99.04411	5.4
100.06521	0.3
101.02334	0.5
103.03886	1.4
105.03382	0.3
105.06977	4.2
107.08588	0.4
109.02839	8.8
109.03538	0.4
109.06483	0.2
115.03899	1.7
117.06976	0.4
119.08547	1.2
127.03869	18.6
133.06502	0.4
133.10138	0.3
135.08020	0.4
145.04910	26.6
145.10100	1.1
147.08134	0.3
159.11656	1.2
163.05951	11.9
171.11679	0.3
178.06268	0.5
189.09035	0.3
231.10086	0.4
249.11172	0.5
267.12256	0.4
284.21988	0.3
285.13263	1.7
285.16541	0.4
289.09052	0.3
325.11188	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3772
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
54.39278	2.2
55.05492	16.1
57.07058	39.8
62.40941	2.8
67.05492	5.5
69.07049	26.0
69.38018	2.2
71.08607	22.7
79.05480	3.0
81.07028	17.6
83.08582	14.9
85.10146	10.8
88.54041	2.3
92.08678	5.8
93.07013	12.3
95.08577	21.7
97.06503	3.2
97.10130	6.0
99.04419	5.3
105.07029	4.1
107.08532	4.3
109.06490	13.1
109.10110	5.2
111.11729	3.3
120.45134	2.8
121.10061	4.1
123.08039	13.3
123.11681	3.5
125.05966	15.2
127.07489	34.5
129.94862	2.9
137.09610	2.9
139.07504	100.0
151.07408	3.2
177.09073	6.4
287.05368	4.4
306.02603	3.2
319.29825	4.8
347.33023	10.1
417.37012	5.2
445.36548	34.1
463.37592	46.4
467.59137	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	464.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
56.96545	1.6
56.96867	1.6
57.03421	38.4
59.04972	4.7
69.03403	100.0
70.06573	4.7
73.02859	1.9
75.04433	3.4
79.05454	3.5
81.03400	10.1
81.07005	4.2
83.04914	1.9
85.02868	73.2
87.04431	59.2
92.42010	2.2
93.06986	4.6
95.08562	2.4
97.02854	72.0
105.06995	27.1
107.04944	2.8
107.08578	8.5
109.02898	3.2
111.04436	3.2
115.03887	60.0
119.08530	2.4
121.02811	66.4
121.10098	3.4
127.03895	7.9
129.05420	3.0
133.04915	55.2
142.96672	1.8
145.04922	7.5
153.05415	49.1
159.11617	4.8
179.43553	2.0
185.78189	1.7
219.13780	3.1
277.08838	2.3
327.22015	2.1
352.48550	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3772
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05486	33.8
57.07057	50.7
63.61634	5.0
67.01860	4.8
67.05473	35.0
69.07037	88.5
71.08596	42.8
71.68383	4.8
79.05467	34.5
81.07018	100.0
83.08585	24.4
85.10130	7.6
91.05444	37.8
93.07021	60.3
95.08570	98.4
97.10141	24.4
105.06994	92.5
107.08549	75.5
109.10109	52.7
111.11707	10.9
117.06979	7.5
119.08534	76.2
121.10103	49.6
123.11667	25.0
129.39761	6.0
131.08528	56.7
133.10054	55.8
133.29977	6.2
135.11597	30.2
143.08492	12.2
145.10100	72.3
147.11615	51.8
149.13210	24.9
150.81955	5.6
155.06961	12.1
157.10092	24.2
159.11642	39.5
161.13213	23.9
163.14760	9.8
171.11711	11.8
173.13210	24.2
175.14754	7.0
177.09038	5.9
187.14795	9.8
191.10641	11.2
199.14729	9.7
201.16194	6.4
203.17970	7.3
213.16273	7.7
273.18433	6.8
287.05286	10.1
343.33585	29.1
385.34216	9.6
427.35751	49.2
445.36697	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	463.377
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.49553	3.0
53.63457	3.5
55.05487	19.1
56.85987	2.7
57.07055	45.9
67.05487	5.9
69.07047	26.6
71.08607	29.6
79.05474	3.4
81.07023	26.7
82.78889	3.1
83.08593	17.0
85.10136	5.5
93.07007	14.2
95.05008	3.9
95.08562	21.4
97.10135	6.7
107.08574	5.2
109.06487	7.6
109.10072	4.0
111.11680	7.0
123.08031	8.4
125.05935	20.2
127.07504	21.4
137.05972	6.6
139.07494	100.0
149.05981	5.3
149.13164	3.7
151.07501	6.7
177.09082	12.7
186.82965	3.9
190.54460	3.9
238.48869	3.6
347.32843	5.1
417.37003	5.7
445.36478	33.3
463.37640	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	463.377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77649	4.9
53.80049	5.7
53.99739	5.3
54.13952	5.0
55.05498	47.6
57.06810	5.4
57.07051	46.5
67.05471	8.3
69.07043	54.8
71.08598	15.7
72.54574	7.8
73.33422	6.4
79.05450	10.4
81.07040	35.6
83.04980	7.6
83.08593	43.2
85.10141	11.4
89.64815	7.4
91.05436	10.8
93.07018	31.2
95.08572	13.9
96.14323	5.6
97.10152	28.8
105.07009	10.3
107.08573	14.5
109.06484	15.9
109.10110	13.2
111.08017	8.7
111.74017	6.4
119.08532	8.8
121.10072	8.6
125.05948	13.3
131.08537	8.9
133.06470	7.5
135.08038	13.3
137.05948	35.1
139.07506	58.0
149.05991	7.9
149.09613	14.2
151.07491	15.1
157.63667	7.2
161.09547	7.9
165.05469	14.6
165.08911	8.5
167.07033	8.7
177.09035	100.0
179.06993	7.5
217.47699	6.3
287.05487	40.7
334.30121	7.7
403.35437	29.4
417.37198	14.1
445.36542	49.5
463.37601	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	463.1588
Annotation	6-O-Methylscorzocreticoside I
Peak:m/z	Relative Intensity
55.01847	0.8
55.05494	1.0
57.03403	0.9
57.07026	0.4
61.02889	2.1
67.01836	4.3
67.05464	1.8
69.03394	3.6
69.07028	0.6
71.04974	0.7
71.13188	0.4
73.02883	0.7
76.51561	0.4
79.05442	3.2
81.03387	2.3
81.07024	3.0
83.04939	0.6
83.08624	0.6
85.02872	10.1
91.03899	0.4
91.05440	2.2
92.09351	0.8
93.06998	2.3
95.04906	0.7
95.08565	3.6
97.02843	3.9
103.05446	0.8
105.06984	3.3
107.08544	1.8
107.65401	0.5
109.02853	0.8
109.06479	1.9
109.10133	0.6
111.04412	2.6
118.04122	1.8
119.08558	2.2
121.02728	0.5
121.06442	2.1
121.10109	1.9
127.03840	0.7
131.08554	0.6
133.06439	20.2
133.10106	0.7
135.04349	0.9
135.08014	0.8
137.05963	3.6
137.09589	0.5
145.10022	1.1
153.01778	1.8
161.05922	54.7
165.05432	0.8
167.03333	100.0
177.05365	0.5
179.03258	0.6
179.08481	1.0
180.08813	0.8
185.04391	7.2
193.04915	1.0
205.04968	0.8
209.04337	0.6
233.04317	1.7
263.05441	1.1
267.04401	0.5
287.05396	26.5
288.05704	0.5
301.10587	74.7
335.28323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1562
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
57.03398	0.3
67.05450	0.4
68.79536	0.3
69.03379	0.4
69.07032	0.6
77.32174	0.3
79.05435	0.4
81.07008	1.5
82.01919	0.3
85.02882	0.8
91.05457	0.4
93.07016	0.7
95.08605	0.8
105.07008	0.7
107.08572	0.6
109.10154	0.6
119.08543	0.6
137.05887	0.4
147.04378	0.4
153.01782	0.6
155.03122	1.4
167.03119	0.4
169.04660	0.5
185.04192	0.3
186.06407	0.4
197.04161	0.6
256.07260	1.4
258.07690	0.6
265.17926	0.5
266.18225	0.4
285.07153	0.5
286.07315	0.6
287.05392	14.0
299.07297	2.9
299.09653	1.3
300.09369	5.8
301.09714	4.2
308.05063	0.4
349.12466	3.3
463.15570	100.0
464.16000	0.8
488.13333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1226
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03919	0.1
55.01836	0.2
55.05477	0.2
57.03407	0.2
58.65453	0.1
67.01846	0.2
67.05466	0.2
69.03389	0.2
69.07041	0.3
70.78009	0.1
71.04957	0.1
79.05447	0.4
79.08414	0.1
81.03393	0.2
81.07017	0.9
82.43690	0.2
85.02868	0.8
91.05442	0.4
91.55320	0.2
93.07019	0.4
95.08566	0.4
96.08881	0.2
97.02870	0.7
97.06496	0.2
105.06998	0.7
107.08570	0.2
109.10076	0.4
113.19905	0.2
119.08567	0.3
121.10128	0.6
123.11700	0.2
124.01549	0.3
131.04922	0.2
131.08487	0.2
133.10054	0.3
135.04341	1.3
137.02298	0.4
145.10086	0.4
147.11691	0.3
153.01776	0.7
159.11572	0.2
161.02248	0.7
163.11064	0.3
164.48767	0.2
167.03337	3.3
181.50804	0.2
185.04424	0.3
203.03391	0.8
213.05338	0.2
229.05000	0.2
241.04799	0.4
241.18240	0.2
257.75687	0.2
258.05136	10.1
286.04626	6.2
287.05405	11.6
301.06964	100.0
302.07455	0.2
311.05164	0.2
404.82343	0.2
463.07394	0.2
463.12314	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.4
56.05816	0.2
57.03409	0.3
64.32728	0.2
66.07245	0.2
67.01854	0.4
67.05481	0.3
68.99776	0.3
69.03390	0.4
69.07042	0.5
70.06551	0.2
71.04977	0.2
79.05442	0.3
81.07010	0.8
82.06552	0.5
83.04936	0.9
83.08591	1.6
85.02876	1.5
85.06506	0.3
87.04478	0.2
89.86891	0.2
91.05435	0.4
93.06990	1.0
95.04947	0.3
95.08559	1.0
97.02840	0.4
97.06480	0.3
99.04409	0.2
99.79305	0.2
100.07600	0.4
100.11217	7.3
101.11553	0.3
105.07008	0.9
107.04910	0.3
107.08541	0.4
109.02904	0.2
109.10229	0.3
111.04408	0.8
112.54874	0.2
117.03326	0.3
119.04916	0.3
121.06431	0.2
121.10098	0.4
128.07018	0.4
129.01753	0.2
133.10139	0.4
135.04359	2.4
137.02304	1.3
141.11441	0.3
145.10098	0.2
147.04364	1.0
151.03870	0.8
151.11134	0.4
153.01776	6.2
161.02271	0.3
161.05888	0.2
164.72528	0.2
169.17105	0.2
171.02939	0.3
179.03273	0.3
182.15355	2.5
183.15657	0.4
189.05458	0.2
209.16409	1.0
210.14896	2.0
210.16637	0.3
211.15120	0.2
213.05327	0.2
217.04932	0.4
226.18941	0.2
231.06425	0.3
241.04863	0.7
245.04434	0.2
258.05109	3.9
259.05872	0.2
260.38794	0.2
269.04272	0.3
286.04620	9.3
287.05392	100.0
288.05698	0.9
298.04691	1.6
300.06271	0.3
301.06958	18.1
303.04947	0.3
311.05292	0.4
312.06140	0.7
313.06952	4.9
314.07809	1.2
325.06870	0.3
326.27719	0.3
327.08517	1.2
328.05627	1.3
338.08017	0.3
343.08069	4.6
343.30493	0.4
344.30920	0.3
353.10016	0.9
367.07834	1.4
373.08719	0.2
381.09964	0.2
389.80948	0.3
397.08670	0.5
409.09021	0.3
427.09973	0.4
445.11002	1.8
453.34213	0.8
453.84064	0.2
463.12088	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
57.03405	0.7
67.01840	0.5
68.99760	1.3
69.03385	0.5
79.05441	0.6
81.03378	0.7
85.02869	1.3
91.05424	0.5
95.04903	0.5
95.08559	0.4
97.02843	1.4
97.06499	0.6
98.97533	0.4
105.06949	0.5
107.08516	0.3
109.02850	0.7
128.04047	0.3
135.04358	3.4
137.02341	0.6
141.01781	1.6
149.02390	0.5
149.05925	1.6
151.03848	3.8
153.01764	6.4
161.02225	0.5
161.05920	1.3
163.03844	2.7
165.01765	7.6
167.03264	0.6
171.02835	0.4
174.54004	0.4
175.03822	1.8
177.05548	0.4
179.10551	0.9
183.02809	3.7
185.33426	0.4
191.03320	0.5
195.02859	0.7
243.02757	0.5
243.06465	0.5
259.06000	0.5
268.07153	0.6
269.04358	0.4
269.07980	0.4
270.05090	2.3
271.05823	0.9
282.05112	2.7
286.04642	0.7
287.05389	100.0
288.05618	0.6
292.06970	0.4
296.06696	8.3
297.07584	1.6
298.04599	13.6
299.05612	0.6
300.06174	3.3
301.06863	2.9
309.07458	0.7
310.04605	3.7
310.08286	3.2
311.05566	1.1
311.09021	4.1
312.06183	1.7
313.06946	53.9
314.07712	4.2
320.06628	0.6
322.04495	0.4
324.06152	10.0
325.06921	3.5
325.10522	0.7
326.07336	0.4
327.08609	1.9
328.05621	7.1
335.08960	0.6
336.06174	0.9
337.06937	0.5
338.07751	5.2
339.05106	0.6
339.08487	12.6
343.08017	24.1
348.06067	1.8
352.05530	0.5
353.06104	0.6
353.10056	8.1
363.08347	1.8
364.05545	2.0
366.07095	0.7
367.07996	24.4
376.05728	1.5
379.07965	4.8
381.09702	0.5
391.07904	3.6
397.08948	8.8
409.08951	6.0
427.10178	5.7
445.11163	5.9
463.13123	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	463.1223
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
54.81375	0.1
55.05481	0.2
56.73364	0.1
69.03388	0.1
69.07024	0.2
85.02853	0.3
91.24442	0.1
93.07026	0.2
95.08557	0.2
97.02829	0.2
107.08530	0.6
121.10065	0.3
121.88697	0.2
122.00502	0.1
122.10447	0.3
135.04285	0.2
140.42050	0.1
153.01797	1.2
168.00491	0.2
170.91011	0.1
177.16347	0.6
178.16644	0.7
186.01564	0.2
229.04785	0.6
247.56975	0.2
258.05130	20.9
286.04620	57.4
287.05408	8.5
301.06964	100.0
302.07233	0.2
319.82559	0.2
331.45538	0.1
463.12106	0.6
487.82443	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0859
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.35270	0.1
54.81287	0.1
66.84679	0.1
67.01827	0.8
68.99770	0.3
73.95045	0.1
79.80593	0.1
87.18449	0.1
89.03855	0.1
91.94852	0.1
105.01488	0.1
129.01843	0.1
135.04359	2.2
136.62044	0.1
137.02290	0.5
152.44708	0.1
153.01781	6.7
161.02292	0.7
171.02820	0.6
177.05353	0.1
179.03331	0.4
241.04970	0.7
269.04349	0.8
285.34512	0.1
287.05392	100.0
288.05682	0.8
447.71878	0.1
463.08499	3.0
473.34146	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	2.1
57.03398	0.3
64.25575	0.3
64.32803	0.3
65.03906	0.4
69.03397	1.8
72.08121	0.4
81.03386	0.4
83.04946	0.5
85.02886	2.3
97.02878	2.3
98.97556	1.8
101.00850	0.4
109.02901	0.4
111.04398	0.4
114.05489	0.6
116.98576	1.7
119.01878	2.5
119.04903	0.7
120.95378	0.6
131.01833	1.6
134.99577	0.4
135.04320	0.6
137.02875	0.4
143.00154	0.6
143.01813	1.5
145.03503	1.2
147.03304	0.3
147.04341	2.9
154.94133	0.8
155.01883	0.5
156.97409	6.4
157.03429	0.6
161.01131	0.7
161.02902	2.7
163.03886	1.9
167.02097	0.4
172.95152	2.6
173.02866	3.2
174.98471	10.3
174.99924	0.5
175.04469	0.4
180.97363	5.9
182.98889	0.6
185.01337	0.5
185.02885	3.8
187.04436	0.7
190.96245	2.4
191.03986	0.3
194.98940	0.5
197.02953	2.1
198.98477	100.0
199.98592	0.8
201.00102	0.8
203.03999	1.3
210.98460	2.8
213.00040	2.3
215.03976	0.7
216.99529	46.4
217.99667	0.6
218.99347	0.3
219.01653	0.4
221.03085	0.6
222.00082	1.5
222.98454	2.0
225.00038	0.5
227.03790	0.4
228.99541	6.3
231.01527	0.6
232.97356	0.4
234.98476	4.8
239.04123	0.7
240.01085	0.6
240.99486	7.1
243.01208	0.7
245.05000	4.6
247.00545	0.8
252.99518	2.6
257.05591	0.4
259.00589	6.7
264.99585	0.7
267.03766	0.5
270.95111	0.5
271.00531	1.6
277.01617	2.5
283.00558	6.4
287.05518	0.6
294.92953	0.4
295.05948	0.5
296.06418	0.3
297.07062	0.3
300.02640	0.4
301.01605	14.7
315.03070	0.6
319.02664	5.2
463.06772	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	462.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05635	6.1
53.85471	6.0
55.05498	15.5
58.22589	6.2
64.32128	6.7
69.07056	12.5
69.64380	7.9
73.27361	7.6
81.07028	30.0
83.08598	14.3
92.09398	15.6
93.06996	9.6
95.08575	43.5
107.08562	40.6
109.10092	12.6
119.08540	32.3
120.90862	6.9
121.10136	27.0
133.10095	13.8
135.11678	37.5
145.10100	11.0
147.11647	38.6
159.11711	9.8
184.68440	7.7
187.14813	9.4
203.14284	7.2
205.15720	9.6
207.17322	11.7
214.66083	8.2
219.17378	7.4
223.06371	8.5
264.67862	7.6
287.05304	100.0
287.37961	8.4
306.79337	7.8
359.09991	8.1
427.35770	90.6
451.15253	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	462.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91328	2.3
52.20624	3.2
55.05491	8.0
55.89196	2.6
57.07053	4.0
57.42094	2.6
59.13499	2.6
67.05468	20.6
69.07036	17.1
79.05451	6.5
81.07036	31.4
83.08573	3.8
91.05444	18.0
92.08596	5.1
93.07017	35.1
95.08575	52.2
100.01108	3.0
105.06984	35.3
105.96333	3.1
107.08572	38.4
109.10117	20.9
119.08553	55.2
121.10112	38.0
123.11646	12.4
131.08504	18.8
133.10085	49.5
135.04314	3.8
135.11629	30.1
137.13162	4.1
139.79614	3.2
143.08536	6.2
145.10074	25.2
147.11618	31.9
149.13223	12.6
157.10097	5.2
159.11639	27.8
161.13182	24.6
163.14818	6.9
171.11609	6.2
171.69542	3.6
173.13264	20.2
175.14742	19.5
177.16235	3.3
185.13271	6.3
187.14708	31.3
189.16339	7.1
191.17876	26.3
201.16353	22.9
203.17931	7.1
213.16255	3.9
215.17871	4.9
225.80902	4.4
241.19319	4.8
243.21030	4.8
287.05414	100.0
337.28610	11.9
355.29636	4.7
391.33502	7.7
409.34604	74.0
410.34991	3.6
427.35660	44.6
462.36856	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	462.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53279	0.5
57.03412	0.8
61.02900	1.2
69.03389	4.3
81.03363	2.1
81.07021	0.6
85.02877	12.2
87.04443	3.1
89.05999	100.0
92.63469	0.5
97.02854	3.7
99.04466	0.7
107.07039	3.9
109.02860	0.9
111.04468	0.7
115.03910	1.0
123.04385	0.9
127.03851	1.1
133.08559	33.0
145.04941	1.0
163.03864	0.8
177.11166	8.5
190.40280	0.5
195.12202	0.7
223.65007	0.6
239.14963	2.3
265.14221	3.0
283.17422	75.9
389.18295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	12.5
67.05477	8.4
69.07037	13.0
70.42892	4.9
75.62596	5.3
79.05450	9.6
81.07001	31.7
85.06518	100.0
91.05425	10.8
92.08668	17.5
93.07023	26.8
95.08558	33.6
105.06995	11.3
107.08547	35.8
109.10124	12.8
119.08515	33.5
121.10118	8.1
133.10103	14.8
137.37820	7.1
147.11642	8.7
159.11626	10.8
187.14714	16.2
203.58174	9.6
219.17381	7.0
271.20419	8.1
287.05328	65.4
321.22937	7.6
338.42383	7.0
409.34729	9.2
427.35596	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	462.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81266	6.2
55.05490	8.5
57.07031	5.8
67.05479	5.7
67.67328	4.3
69.07045	8.4
73.44678	4.9
79.05444	7.0
81.07030	29.2
83.08584	22.3
86.96638	5.1
93.06997	21.5
95.08585	41.3
105.07003	11.4
107.08581	32.4
109.10154	10.3
117.35121	5.1
119.08548	27.1
121.10106	10.7
131.08540	8.9
133.10051	10.8
135.11641	22.6
145.10034	7.5
147.11659	12.7
151.13503	5.6
156.52376	6.0
159.11665	13.1
161.13245	9.0
173.13248	6.8
175.14783	7.3
187.14702	10.0
189.16325	24.5
207.17363	8.5
287.05399	80.8
391.33630	6.0
409.34512	25.9
427.35544	100.0
462.74179	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	462.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
55.01846	0.2
56.96535	0.2
61.69619	0.1
63.91224	0.1
69.03396	0.2
71.04959	0.1
73.02888	0.1
74.68227	0.1
81.03377	0.2
83.04932	0.1
84.08072	0.1
85.02864	0.7
86.09686	0.2
91.05441	1.8
93.07001	4.2
95.04922	1.2
97.02845	0.5
98.97560	0.4
99.04395	0.1
101.39681	0.1
103.05424	2.5
105.04446	0.1
116.98557	0.2
121.06459	100.0
122.06796	0.5
127.03872	0.1
128.98485	0.1
132.90327	0.1
136.06120	0.1
138.09094	18.2
143.00130	0.1
145.03275	0.1
145.04898	0.1
147.04338	0.4
158.99637	0.1
161.01155	0.1
163.03856	0.5
177.00623	0.1
237.02751	0.3
273.30557	0.1
282.52524	0.1
295.29306	0.1
372.21576	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	462.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45386	2.0
52.97436	2.0
53.03930	3.6
55.01851	10.2
55.05493	16.0
56.96545	100.0
57.03424	24.1
57.07049	4.1
59.04963	2.5
61.02608	3.2
61.02902	56.1
67.05476	35.7
69.03403	22.5
69.07032	6.3
70.25640	2.3
71.04925	2.7
71.95245	2.8
73.02885	31.8
75.60984	2.3
79.05465	30.1
81.03384	16.9
81.07029	32.3
83.04929	3.7
83.08601	2.9
84.32378	2.2
84.95963	2.4
85.02874	49.8
87.04395	2.5
91.03925	23.6
91.05434	23.9
92.08764	3.3
92.63217	2.4
93.07005	40.5
93.65104	2.8
94.07362	3.9
95.04883	4.5
95.08582	36.1
97.02854	39.4
98.97524	23.2
99.04408	4.2
101.02345	6.1
101.94542	2.5
105.06982	28.9
106.07319	5.9
107.08559	34.0
108.08880	11.9
109.02853	5.7
109.10119	16.7
116.98577	17.0
118.02723	2.8
119.01756	3.8
119.08517	23.3
120.08842	4.8
121.10115	16.4
127.03858	9.9
128.98549	15.0
131.00070	5.3
131.08485	6.3
133.10095	14.6
134.10347	4.9
134.99599	4.3
135.11676	14.4
136.11964	5.8
138.02615	2.4
143.00291	2.6
145.10117	10.1
146.10397	3.0
146.99602	20.8
147.03169	9.7
147.11636	4.2
149.01146	3.6
155.03766	4.4
158.99577	3.7
159.03305	2.5
159.11615	3.9
160.11948	3.1
161.01169	10.3
161.13260	5.1
170.99591	3.3
171.03181	4.4
173.01195	2.8
173.04794	3.6
173.13062	4.1
175.14734	3.0
175.56320	2.6
177.00615	11.8
187.02763	3.0
189.00644	13.2
189.04213	2.6
189.16347	12.3
190.16669	6.1
199.06349	11.3
200.15094	4.1
203.05725	3.0
207.17363	4.9
208.17697	9.3
217.07428	24.9
219.01801	2.9
219.05241	4.2
229.07539	3.1
237.07887	4.0
239.09547	6.2
255.08916	56.9
256.09219	3.2
257.10452	14.9
265.07410	29.0
273.09982	61.5
274.10583	3.4
283.08423	76.6
283.15265	6.1
284.08624	3.1
287.05560	10.4
301.09479	80.1
302.09738	5.0
317.17722	21.1
321.04709	4.5
323.10547	56.7
323.60736	20.6
335.18839	14.9
335.25610	9.0
349.15808	12.9
381.19193	3.3
381.69141	4.1
408.33282	6.1
426.34378	27.2
427.34470	16.4
444.34991	20.8
445.35751	4.2
462.22092	24.5
462.71954	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	462.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62271	0.1
53.60219	0.1
55.05492	0.2
56.96555	0.1
57.03420	0.2
60.04525	0.1
61.02897	0.1
61.19479	0.1
63.94146	0.1
65.84941	0.1
69.03396	1.6
70.06551	0.1
71.04959	0.2
73.02250	0.1
73.06530	0.2
73.52161	0.1
74.38154	0.1
79.05472	0.3
81.03355	0.2
83.04953	0.6
85.02889	0.9
87.04453	0.2
91.05454	0.7
93.07008	0.8
95.04931	0.3
97.02895	0.3
98.97563	0.5
101.06043	0.2
103.05421	5.0
104.42612	0.1
107.04925	1.6
111.04401	0.5
116.98569	0.2
119.04895	0.3
120.08060	100.0
121.08406	3.1
122.08771	0.2
123.04401	0.5
124.07507	0.2
127.03842	0.2
129.05444	0.3
129.81738	0.1
131.04865	2.9
136.92548	0.1
142.13040	0.1
147.04366	1.7
147.06384	0.2
149.05966	1.7
163.03825	0.2
165.07524	0.3
166.08572	27.9
167.08911	0.7
183.08569	0.2
237.02635	0.2
263.88858	0.1
385.61566	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	461.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.5
55.05497	16.7
57.03421	1.6
57.07057	3.6
61.02909	1.8
61.18002	1.4
62.41006	1.4
67.05477	21.2
69.03399	6.3
69.07040	21.3
71.04970	1.8
79.05464	20.4
81.01590	1.6
81.07023	46.9
83.04939	3.4
83.08572	7.6
85.06524	3.1
91.05433	28.4
93.07007	53.4
95.04929	8.8
95.08571	56.7
97.06527	2.5
99.08062	7.0
103.05425	1.6
105.06989	61.1
106.07274	1.7
107.08554	79.5
108.08904	1.9
109.06495	5.9
109.10138	32.7
111.08059	2.4
115.34124	1.5
117.06978	8.0
119.08537	100.0
120.08850	18.0
121.06467	20.9
121.10098	45.1
123.08015	6.7
123.11683	12.1
129.06987	3.3
131.08511	28.1
133.10075	76.4
133.11053	2.9
135.07997	15.5
135.11638	22.4
137.09576	3.6
137.13231	1.8
142.07690	2.2
143.08463	3.8
144.09303	2.8
145.10077	42.2
146.10429	1.8
147.08023	3.1
147.11638	33.3
149.09596	12.5
149.13213	29.2
157.08897	1.7
157.10048	14.7
158.10876	1.9
159.11639	25.4
161.09601	9.4
161.13208	19.6
163.11151	7.4
163.14764	10.4
170.10817	2.2
171.11607	7.1
172.12495	1.8
173.13176	21.6
175.11137	7.1
175.14755	19.3
177.12582	1.8
177.16338	10.5
185.13202	10.3
187.14752	40.2
189.12666	3.3
189.16322	10.5
191.14249	7.6
191.17848	2.0
197.13351	2.1
199.14824	6.7
201.16338	6.8
203.14175	7.4
203.17838	18.7
205.15811	10.1
205.19345	2.2
213.16333	6.4
216.04593	1.8
217.15820	2.6
221.15402	1.5
227.17798	2.0
314.26410	1.5
395.32855	3.2
407.32889	8.6
413.33554	13.1
416.21243	2.7
425.33795	19.9
443.35513	10.7
461.28644	2.4
461.35666	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3615
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
55.05493	27.5
55.55595	2.7
57.07054	3.9
67.05482	22.9
69.07048	43.9
71.04964	4.0
79.05458	22.0
81.07023	45.1
83.04985	3.8
83.08589	21.1
85.06496	5.1
91.05445	16.6
92.09404	5.4
93.06999	50.9
94.75329	2.4
95.08572	67.2
97.06490	4.3
97.10131	16.9
99.08083	3.9
105.06998	47.9
107.08556	93.3
107.67294	2.8
109.06445	6.5
109.10116	56.4
111.08048	4.9
113.09620	3.3
117.06939	5.4
119.08535	82.4
121.10081	51.7
122.57723	2.9
123.08051	5.1
123.11682	20.7
125.09538	2.7
129.06995	5.2
131.08499	30.6
133.10072	55.4
135.08052	5.1
135.11661	34.7
137.09532	4.9
139.11133	6.7
143.08514	5.1
144.09364	4.0
145.10088	71.2
147.11655	28.6
149.09589	15.4
149.13182	14.5
151.11133	3.1
153.12709	10.3
157.10074	18.2
158.10829	3.6
159.11627	74.8
161.13159	19.4
163.11089	3.6
163.14761	63.5
166.01495	2.5
169.10083	12.1
171.11644	23.6
173.13208	26.4
175.11067	4.3
175.14757	22.0
175.16229	2.3
177.16348	11.4
181.15817	34.9
183.11617	10.7
184.12469	5.4
185.13211	17.2
186.13895	3.8
187.14766	28.7
189.16351	20.3
191.14285	5.3
197.13156	3.1
199.14761	36.7
201.16312	100.0
203.18039	3.3
205.15808	23.6
207.17380	3.2
213.16231	20.7
215.17874	21.6
219.17381	47.2
222.98929	2.9
225.16258	5.0
227.17848	13.7
231.17365	3.1
237.18443	3.4
243.17407	12.9
247.20558	3.5
248.19716	3.5
261.18353	10.8
281.22662	4.5
389.31946	5.2
407.32956	50.5
413.20557	2.8
425.33981	68.7
439.82233	3.2
443.35043	66.9
444.80353	2.7
461.29654	4.4
461.36084	49.9
465.06885	3.1
478.99637	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	461.3616
Annotation	Phlomistetraol C
Peak:m/z	Relative Intensity
50.44862	1.5
52.71380	1.4
55.05497	7.5
67.05482	9.1
69.03395	2.0
69.07038	11.4
70.46143	1.6
79.05463	8.4
81.07026	18.9
83.08601	10.2
91.05446	9.0
92.08666	3.0
93.07011	20.9
95.08571	29.9
99.08054	51.0
105.06985	13.0
107.08568	27.0
109.10110	15.4
111.08061	4.3
119.08536	22.3
121.10124	19.3
123.11646	6.9
131.08525	3.3
133.10086	18.4
135.11626	18.2
137.13164	3.6
143.08495	3.1
145.10069	8.8
147.11668	11.1
149.13173	6.7
157.10065	2.1
159.11688	3.7
161.13156	8.1
163.14734	2.7
173.13164	3.3
175.14795	2.3
185.13199	2.5
187.14812	2.0
189.16235	3.0
191.17851	2.9
203.14226	2.1
203.17937	2.0
214.01923	1.9
286.48245	1.9
443.35074	7.1
450.51636	1.9
461.36099	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3614
Annotation	Hyrtiosterol
Peak:m/z	Relative Intensity
50.72887	1.4
52.97692	1.3
53.75366	1.3
55.05491	14.6
56.21106	1.4
56.57425	1.4
57.07038	1.6
63.85118	1.9
67.05473	9.6
69.07034	10.8
79.05458	10.1
81.07013	22.8
83.08575	10.2
86.95652	1.6
91.05417	15.6
92.08648	3.1
93.07006	30.4
95.08562	26.8
97.06471	2.4
99.08050	3.6
105.06992	23.6
107.07899	2.4
107.08561	45.8
107.71604	1.5
109.06492	3.4
109.10093	26.0
111.08043	2.3
115.07352	1.6
116.75932	1.7
119.08539	28.9
121.06463	14.0
121.10096	27.7
121.87747	1.8
123.08012	8.5
123.11633	9.9
131.08487	22.3
133.06430	8.8
133.10080	40.7
135.07990	24.8
135.11632	17.5
137.09581	2.3
137.13203	2.7
143.08470	6.8
145.10077	22.0
145.92941	1.8
147.11667	15.0
149.09579	10.0
149.13184	9.1
151.11142	3.1
157.10075	3.5
159.11629	10.3
161.09540	2.0
161.13194	8.4
163.11111	3.3
163.14735	6.2
171.11659	3.8
171.53458	1.7
173.13173	10.4
175.14745	6.7
177.16338	3.7
183.11569	2.5
185.13176	3.4
187.14751	25.1
189.16304	6.7
199.14774	3.8
201.16327	9.2
203.14264	5.9
203.17680	2.2
205.15782	34.2
207.17287	2.3
215.17778	2.6
219.17267	2.7
223.16856	12.5
308.47430	1.9
310.25330	2.2
347.17691	1.6
347.25668	2.6
357.03091	2.0
373.27213	100.0
374.67352	1.9
407.32782	7.7
425.33902	10.1
443.35071	54.6
444.34656	2.1
461.28979	2.1
461.36130	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	461.362
Annotation	Hyrtiosterol
Peak:m/z	Relative Intensity
51.14890	2.9
53.35924	2.9
55.05481	19.4
57.03437	3.1
61.32181	2.8
67.05482	20.8
69.07040	17.0
69.40778	3.5
79.05469	30.2
81.07029	53.8
83.08574	6.1
91.05423	27.7
93.07005	45.2
95.04911	5.2
95.08570	45.9
97.06483	5.5
99.08040	7.7
105.06999	38.7
107.08561	43.3
108.08894	6.0
109.06490	4.4
109.10124	15.5
117.06982	6.7
119.08533	37.7
121.06450	8.5
121.10119	31.9
123.08023	17.5
123.11646	13.8
131.08566	36.8
131.09415	5.0
133.10081	45.4
135.08023	8.4
135.11676	26.4
142.82553	3.9
143.08499	4.4
145.10086	28.6
147.11604	21.5
149.09602	16.7
149.13188	8.2
157.10066	7.9
157.38763	3.2
159.11610	19.9
161.13173	14.5
163.14778	4.4
171.11472	6.9
173.13196	6.7
175.11169	3.8
175.14781	56.6
177.16281	6.6
185.13173	5.9
187.14714	28.2
189.16309	7.8
190.16554	4.4
201.16373	6.7
203.14336	3.9
205.15799	21.9
207.17549	4.3
208.14935	3.6
211.47415	5.0
269.12408	3.9
347.25714	5.5
373.27264	100.0
407.32928	5.5
425.34061	4.2
443.29538	4.9
443.35153	65.0
444.35382	36.7
452.16208	3.9
461.29086	6.1
461.35806	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	461.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.7
59.04989	3.0
62.75271	2.2
67.05478	11.6
69.07033	9.8
71.04956	2.1
79.38277	2.4
81.07030	23.6
82.04730	2.3
83.08573	3.1
90.06140	2.4
93.07018	4.6
95.08553	10.2
97.10048	3.0
107.54674	2.2
109.10122	12.8
119.08536	5.6
120.43244	2.6
132.81703	2.4
137.09566	14.0
145.92526	3.0
146.31111	2.6
149.09607	13.8
163.11150	9.2
165.09058	100.0
174.52675	2.2
177.09114	4.7
191.10577	5.6
205.12166	16.7
208.68932	2.9
232.55974	2.4
249.74602	2.7
308.30704	2.5
443.34964	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	461.362
Annotation	Hyrtiosterol
Peak:m/z	Relative Intensity
54.44525	0.9
55.05498	11.7
57.07050	1.5
67.05473	6.3
69.07054	9.9
69.44179	1.0
79.05462	9.6
81.07030	15.7
82.18742	1.2
83.04955	2.4
83.08582	8.4
85.06502	1.3
90.35873	1.1
91.05460	15.3
92.09447	2.6
93.06484	1.9
93.07010	24.2
94.84330	1.1
95.04934	2.1
95.08569	17.6
95.16659	1.1
97.10120	1.4
99.08038	5.9
105.02284	1.1
105.07002	24.3
105.76458	1.2
107.08561	32.8
109.06473	1.5
109.10140	16.0
111.08050	2.1
117.06945	2.2
119.08551	22.4
121.06490	9.8
121.10104	21.4
123.08064	8.3
123.11662	5.8
127.07590	1.4
131.08522	19.5
133.06396	1.8
133.10098	26.1
135.08023	12.6
135.11674	10.9
137.09634	1.5
143.08519	4.6
145.10083	19.8
147.11658	13.8
149.09619	9.3
149.13210	6.7
151.11191	1.2
157.10085	5.9
159.11642	12.1
161.09560	1.3
161.13141	8.2
163.11131	2.6
163.14731	6.6
171.11679	2.1
173.13237	6.1
175.14767	4.5
177.12689	2.2
177.16331	7.0
178.42978	1.2
183.11630	1.8
185.13202	4.8
187.14743	19.4
189.16360	1.3
199.14780	2.1
201.16322	5.4
203.14191	2.2
205.15820	32.5
213.16191	1.2
223.16853	6.5
227.17947	1.7
347.25641	7.0
373.27240	100.0
380.15106	1.3
425.34027	9.5
443.35016	39.8
461.35995	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	18.5
57.07061	4.2
67.05482	28.9
69.07034	14.8
78.21753	3.3
78.25747	3.6
79.05451	26.7
79.68446	3.2
79.92901	2.8
81.07032	60.1
83.04947	59.2
91.05449	29.3
93.07005	66.3
94.50352	4.2
95.04922	14.4
95.08572	69.5
97.10155	4.7
99.08026	5.0
105.06973	67.3
107.08544	100.0
109.06493	4.2
109.10123	33.9
111.08028	3.8
117.06966	7.0
119.08540	76.3
121.06447	4.4
121.10098	47.7
123.11652	8.7
125.09570	14.8
128.64854	3.8
131.08551	28.7
133.10072	45.5
135.11601	27.0
137.09586	4.0
143.08478	7.2
145.10056	44.1
147.11639	32.2
149.13240	8.0
151.11128	5.3
157.10051	7.8
159.11630	48.8
161.13211	17.9
163.14835	14.4
169.10176	6.3
170.10854	6.1
171.11627	17.1
173.13193	23.7
175.14764	4.3
183.11670	6.4
185.13142	7.6
187.14764	19.9
189.16290	6.7
190.23834	3.5
197.13100	4.3
199.14746	13.4
201.16264	7.3
205.15775	4.9
213.16286	4.8
218.13446	3.7
227.17960	4.7
231.17441	4.5
354.60620	3.7
367.29825	6.2
397.17087	5.2
407.32947	19.8
425.33987	47.7
443.34854	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	461.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66207	0.6
53.03929	1.2
55.01859	3.7
55.05496	12.0
57.03406	1.2
57.07057	3.2
57.47057	0.6
61.02904	1.4
64.32334	1.0
67.05479	5.0
69.03414	10.5
69.07043	20.4
71.04961	5.3
73.02882	1.7
79.05455	6.1
81.03371	5.1
81.07026	19.5
83.08599	12.7
85.02870	16.5
85.06519	3.9
87.00809	11.4
91.05454	1.7
93.07012	18.0
95.08571	41.6
97.02859	6.6
97.10124	7.3
99.04423	1.4
99.08060	19.8
105.01827	7.1
105.06998	3.0
107.08562	47.9
109.02831	3.7
109.10119	13.2
111.08039	9.6
113.09591	1.6
119.08611	1.4
121.10101	78.9
123.11682	2.5
125.09598	10.0
127.03885	7.2
129.30261	0.9
135.11649	16.6
137.13190	8.4
145.04951	3.2
149.13214	4.1
159.02837	1.0
177.16322	100.0
178.16655	0.8
187.35881	1.0
195.17380	19.2
199.08098	0.8
210.47774	0.7
213.18439	19.5
231.04904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1433
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.46853	0.1
53.03904	0.1
54.93743	0.1
55.01841	0.1
57.03403	0.2
61.02864	0.5
69.03402	0.9
71.04926	0.1
78.57346	0.1
81.02908	0.1
81.03346	0.6
85.02873	2.7
91.03891	0.1
97.02845	1.0
99.04366	0.1
102.22931	0.1
108.32185	0.1
109.02821	0.1
124.01508	0.4
127.03830	0.2
127.62691	0.1
133.06433	1.0
135.04306	0.1
159.04321	0.2
167.03351	1.4
197.05824	0.1
201.05338	0.1
210.88342	0.1
211.07498	0.1
230.06622	0.1
239.06999	0.1
256.07196	24.4
284.06674	17.0
299.09027	100.0
300.09415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90789	0.5
53.03930	2.3
54.00502	0.5
55.01855	2.6
55.05494	11.5
57.03406	1.2
57.07054	2.5
61.02903	1.4
67.05477	6.6
69.03404	13.3
69.07043	22.5
71.04975	4.5
73.02897	1.4
79.05467	7.5
81.03389	6.2
81.07027	21.8
83.08593	13.8
85.02873	20.5
85.06522	3.6
87.00795	14.8
91.05452	3.4
93.07014	21.1
94.41879	0.5
95.04939	1.0
95.08572	44.2
97.02853	7.8
97.10113	8.0
97.10576	0.5
99.04408	2.8
99.08057	20.7
105.01826	8.8
105.06975	6.3
107.08560	52.0
109.02822	6.0
109.06481	0.6
109.10114	11.9
111.08047	8.8
111.11703	0.9
113.09624	2.5
119.08539	3.1
121.10103	81.9
123.04338	4.1
123.08073	0.8
123.11686	3.3
125.09589	8.4
127.03866	9.3
131.08531	2.1
133.10097	0.8
135.11647	16.6
137.13206	8.0
139.11156	2.8
145.04939	2.4
145.10033	0.7
149.13222	5.8
159.02832	0.9
177.05467	0.9
177.16322	100.0
178.16701	1.2
195.17375	17.1
213.18427	18.8
231.04910	1.0
233.35629	0.6
299.05420	1.1
386.67151	0.7
444.19778	0.6
451.37927	0.7
475.28958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76116	5.1
55.05490	32.0
57.07059	6.8
61.52649	4.7
67.05479	42.5
69.07049	68.8
71.04958	10.4
78.19521	4.7
79.05463	39.9
81.07029	95.8
83.08581	12.5
91.05443	34.6
93.07014	100.0
93.59266	5.2
95.08568	98.9
101.55593	5.7
103.42963	4.9
105.07017	48.3
107.08562	98.5
109.10117	82.2
119.08527	60.1
121.10098	57.8
123.11681	30.6
131.08508	5.0
133.10129	29.0
135.11639	51.9
137.13179	6.0
145.10068	7.3
147.11658	20.9
149.13232	11.2
159.11678	5.7
161.12987	6.2
163.14771	5.3
173.13162	9.5
189.16298	5.3
191.17833	8.5
234.05330	4.6
299.65305	5.9
328.93564	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	460.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	9.5
57.07058	4.8
64.32544	6.0
67.05467	25.8
69.07035	48.3
79.05441	25.2
81.07027	100.0
83.08590	8.0
91.05440	10.1
93.07008	48.6
95.08576	56.4
105.06991	41.3
107.08562	50.1
109.10128	36.2
119.08567	41.5
121.10117	32.4
123.11655	18.0
123.76836	4.1
131.08527	7.6
133.10074	27.9
135.11681	16.5
145.10094	24.7
147.11646	11.1
149.13214	7.0
159.11639	11.1
161.13255	5.6
162.00920	4.3
163.14755	4.2
175.14714	6.9
185.13278	4.4
199.14664	4.4
205.96713	4.7
309.79431	4.5
314.74561	4.5
367.21143	6.2
425.34018	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	460.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65140	2.8
55.05500	25.9
57.07052	6.0
67.05484	40.3
69.07047	52.8
70.56376	3.2
71.04962	4.7
75.54504	3.1
79.05456	28.8
80.60490	2.8
80.93004	3.2
81.07032	100.0
83.08590	15.6
85.06561	3.6
91.05437	35.9
93.07009	91.1
95.08572	65.7
97.10159	5.6
105.06992	41.0
107.08556	85.0
109.06506	4.4
109.10131	70.9
119.08538	42.1
121.10095	47.5
123.11692	25.0
131.08507	13.8
133.10089	27.5
135.11649	48.5
137.13271	5.3
145.10120	13.1
147.11638	24.7
149.13223	23.1
155.57387	3.2
159.11617	14.2
161.13188	14.7
173.13194	5.2
175.14725	4.3
176.60927	3.6
187.14835	4.1
189.16402	5.4
191.17986	3.4
201.16365	6.2
203.17935	5.0
251.89259	3.9
304.63211	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	460.377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05493	19.1
57.07050	13.2
67.05492	22.7
68.58847	2.2
69.07050	56.7
79.05466	15.9
81.07024	55.3
83.04947	4.4
83.08593	18.3
89.05981	4.9
91.05446	23.6
93.07002	52.0
95.04942	4.1
95.07960	2.9
95.08567	83.0
96.08869	3.2
97.06471	5.4
97.10131	3.9
99.08070	12.0
102.00068	2.9
102.03861	2.9
105.07002	46.5
107.08555	96.0
108.08893	4.0
109.06478	3.6
109.10133	41.1
110.10484	2.7
111.08052	10.8
113.09566	3.2
117.06974	4.2
119.08535	88.4
120.08852	5.3
121.06502	4.4
121.10106	59.4
123.07991	4.9
123.11653	22.8
125.09544	4.0
131.08537	28.8
133.06458	4.3
133.10095	64.5
134.10435	4.5
135.08015	11.9
135.11646	61.9
137.13205	6.2
139.11108	3.3
143.08524	6.6
145.10092	43.2
146.10460	5.8
147.07994	3.5
147.11647	44.9
149.09578	3.7
149.13190	20.3
157.10072	18.5
159.11630	28.3
161.09518	5.2
161.13196	32.3
162.13557	3.6
163.14761	19.3
165.12767	2.8
171.11641	6.4
173.13162	21.8
175.11113	3.8
175.14790	27.7
177.16367	5.6
179.14226	5.2
183.11699	4.5
185.13219	6.7
187.14758	32.7
188.15080	11.1
189.16338	56.8
191.14285	5.1
191.17885	15.2
195.17410	6.6
196.17754	4.8
199.14735	6.6
201.16362	17.5
203.14244	36.7
203.17915	26.0
205.15831	39.1
207.17365	48.2
211.14729	4.6
213.16376	5.6
215.17906	4.0
217.15846	22.6
217.19408	4.0
219.17415	3.2
227.17909	6.2
229.19398	3.6
231.17308	3.6
245.18756	3.0
257.18823	3.3
271.20505	13.5
363.31436	3.0
389.31924	5.8
407.27917	4.5
407.32944	100.0
416.32141	4.6
425.33936	65.4
442.34195	3.0
443.34854	12.0
460.33948	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	460.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84050	0.6
53.00297	0.7
55.05510	0.6
57.03419	18.2
59.04982	58.6
60.83034	0.7
61.02895	1.5
66.84204	0.6
69.03040	1.2
69.03404	32.5
73.02891	9.5
73.06528	100.0
75.04446	1.7
81.03386	1.0
81.67463	0.8
85.02081	0.8
85.02875	28.5
87.04438	19.5
92.09251	0.8
97.02860	28.3
109.02808	0.8
115.03892	19.4
117.09078	8.4
127.03865	3.8
131.10658	6.7
133.04930	12.9
144.24300	0.8
145.04903	1.5
149.11687	52.9
149.54749	0.8
151.03703	0.8
181.04929	0.7
213.55977	0.9
218.75975	0.7
231.48425	0.7
259.07971	0.8
422.21432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
53.92595	0.4
55.01849	2.9
56.30135	0.5
57.03419	5.5
57.06790	0.5
57.07056	11.6
57.97218	0.4
59.04993	0.6
61.02901	10.9
61.96331	0.5
63.04470	7.8
69.03033	0.7
69.03405	18.0
70.26277	0.4
70.72694	0.4
71.01340	0.9
71.04961	2.9
73.02885	3.3
78.76750	0.5
81.03389	7.5
85.02876	100.0
87.04440	3.1
88.01279	0.5
91.03929	5.3
91.10995	0.6
92.09396	0.7
97.02856	22.6
99.04410	4.1
101.02368	0.7
101.09679	0.5
109.02843	9.1
115.03860	0.8
119.10651	19.0
127.03876	21.4
137.22699	0.6
145.04915	26.8
147.04350	1.2
163.05974	10.4
165.02327	0.5
182.04927	2.4
183.05211	0.7
208.02834	2.2
209.03125	2.4
217.71898	0.6
325.11191	2.3
328.08990	1.0
460.18600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73641	0.1
55.01844	0.1
55.05477	0.3
57.03437	0.2
63.02330	0.1
69.03411	0.9
79.05456	0.6
80.15904	0.1
81.03386	0.2
85.02859	1.3
85.06526	0.1
87.04441	0.2
91.05445	0.5
92.54460	0.1
93.06995	0.8
95.04908	0.1
97.02842	0.8
103.05427	5.0
107.04918	1.9
115.03889	0.8
119.04903	0.3
120.08062	100.0
121.08412	1.8
122.64797	0.1
127.03886	0.3
129.05446	0.2
131.04872	2.7
135.02458	0.1
136.06126	0.2
145.04898	0.2
147.04370	2.1
149.05952	1.5
166.08577	26.9
167.08937	0.6
173.05545	0.1
175.05003	0.1
197.01064	0.2
205.25151	0.1
259.28687	0.1
419.92661	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	460.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66223	0.5
53.03929	10.1
53.44496	0.6
54.80762	0.6
55.01854	11.5
55.05472	0.6
57.03416	7.2
60.04484	1.3
60.55148	0.7
61.02905	9.5
67.53838	0.6
68.99770	4.6
69.03403	44.3
71.04958	8.4
73.02886	11.7
76.27930	0.6
79.05441	0.8
80.04979	1.0
81.03386	41.5
81.06992	0.9
85.02874	100.0
87.00797	51.4
87.01277	0.5
87.01372	0.7
87.04418	0.7
91.03906	4.5
95.08572	0.7
97.02849	38.6
98.06008	2.4
99.04419	15.6
101.02331	0.6
103.05429	9.4
105.01826	26.6
105.06979	4.6
107.04916	11.1
107.08541	0.9
108.04452	8.9
109.02841	36.7
115.05395	1.2
117.01804	5.8
121.06439	1.1
126.05460	5.0
127.03864	53.2
129.01776	6.0
131.04919	2.1
133.06410	1.1
135.08002	8.2
135.71660	0.6
139.03845	3.9
144.06595	0.6
145.04916	21.1
145.06093	0.9
147.02791	1.2
148.10057	0.6
154.06194	46.2
159.02844	16.7
161.05923	1.3
163.07475	36.9
167.06946	1.2
180.07796	2.2
187.07382	0.9
193.08629	0.6
195.10095	76.6
212.05466	0.8
213.03850	0.9
219.10208	0.9
230.06503	0.9
231.04930	11.4
248.07605	5.3
249.05838	0.9
266.08636	0.8
303.12009	1.1
448.56076	0.6
460.32465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
55.01862	1.1
55.05495	18.2
57.07054	2.0
65.03891	1.1
67.05473	22.9
69.03402	2.8
69.07044	19.0
71.04971	1.6
79.05460	15.7
81.07026	40.3
83.04934	5.4
83.08596	12.2
91.05458	13.9
92.08594	2.0
93.07008	34.2
93.67220	1.1
95.04903	9.3
95.08569	49.0
97.06497	8.5
99.08069	2.2
105.06992	33.3
107.08555	100.0
109.06533	2.4
109.10116	45.7
111.08030	2.6
117.06975	6.1
119.08532	47.4
121.10088	33.7
121.10894	2.2
123.08021	5.7
123.11651	12.8
125.09578	71.7
127.11226	4.3
129.47597	1.3
130.07709	1.3
131.08522	18.8
133.10075	30.1
135.08003	3.0
135.11644	25.6
137.13171	2.4
139.11166	1.6
143.08516	7.1
144.09320	1.5
145.10056	19.4
147.11646	24.8
149.09605	3.1
149.13203	11.9
155.08501	1.8
157.10089	11.0
159.11618	28.7
161.09618	1.4
161.13217	13.9
163.11115	2.7
163.14757	7.4
170.10791	1.6
171.11594	11.3
173.13191	15.5
175.14751	12.4
177.16330	6.3
183.11565	1.6
185.13240	5.6
187.14728	13.1
189.16293	14.0
191.14276	5.8
191.17873	13.5
197.13203	2.9
199.14748	5.9
201.16304	10.4
203.14301	2.7
203.17815	11.2
205.15811	2.3
207.17291	2.0
213.16273	2.5
215.14178	1.4
215.17914	7.5
219.17410	1.5
221.15161	1.4
223.14865	1.4
225.16245	1.4
229.19292	1.3
233.19052	1.6
249.64862	1.3
341.24789	1.8
371.25720	7.8
405.35217	1.8
423.31369	2.1
423.36908	10.9
441.33200	6.5
441.37885	4.2
459.34430	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	459.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92830	2.0
55.05494	12.3
57.07048	2.4
61.43341	2.3
63.84354	1.9
64.94408	1.8
66.13776	1.9
66.89498	2.0
67.05485	30.8
69.07045	28.2
71.04963	4.2
79.05450	12.5
81.07027	50.3
83.04935	4.8
83.08580	15.8
89.59505	2.4
91.05448	17.3
93.07012	43.8
95.04935	13.0
95.08577	59.5
97.06505	3.0
97.10127	2.8
99.08067	6.1
102.97115	2.8
105.07000	53.5
107.08558	94.2
109.06496	3.0
109.10123	100.0
111.08073	2.8
117.06958	3.1
119.08540	54.8
121.10096	41.8
123.11666	13.8
125.09587	52.3
127.11152	23.4
129.06905	2.4
131.08522	17.6
133.10080	47.3
135.11633	34.5
137.13200	2.9
143.08514	4.5
144.09335	2.6
145.10089	24.7
147.11612	28.8
149.13220	11.2
151.11102	3.3
157.10094	12.2
159.11620	35.3
161.13174	24.4
163.14793	10.9
171.11632	9.4
173.13211	22.6
175.14755	15.2
177.16347	4.6
179.14255	2.7
185.13086	3.8
187.14719	11.6
189.16312	18.4
191.17838	17.9
199.14792	11.2
201.16341	11.1
203.14375	3.1
203.17865	11.0
205.15778	3.5
207.17383	11.6
215.17833	9.5
233.18793	3.6
243.21146	2.9
257.22311	2.8
405.35339	4.7
423.36423	18.6
441.32733	9.8
459.34070	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	459.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41247	1.0
53.00297	1.4
55.05489	23.2
57.03421	1.2
57.07056	2.8
60.35841	1.2
65.03889	1.6
67.05477	45.9
69.07039	28.2
69.32040	1.1
70.23934	1.1
71.04947	1.5
71.08598	1.3
73.43573	1.4
79.05448	25.5
81.07023	83.2
82.15891	1.1
83.08580	13.8
85.06536	2.0
91.05441	24.9
93.07006	62.1
95.04925	1.3
95.08567	83.6
97.06462	2.3
97.10144	2.7
99.08092	1.7
105.06994	68.1
105.63394	1.4
107.08551	100.0
109.06491	2.3
109.10115	90.0
109.10873	3.1
111.08050	2.7
111.11752	1.4
114.85622	1.4
117.06973	12.2
119.08530	80.3
121.10097	50.3
123.08034	7.2
123.11647	22.8
125.09591	1.5
129.06978	6.8
129.09090	1.4
131.08514	35.7
133.10081	57.6
135.11635	57.2
137.09554	2.8
137.13255	2.6
143.08487	11.3
145.10083	45.6
147.11650	54.7
149.13213	15.6
151.11154	2.1
151.14703	1.3
155.08420	1.7
157.10056	14.1
159.11627	47.1
160.12335	1.4
161.09587	1.4
161.13190	35.8
163.11111	1.5
163.14754	27.6
165.12741	5.3
169.10074	6.0
171.11610	11.3
173.13170	28.6
175.13359	2.0
175.14746	23.0
177.16316	12.8
179.14256	16.3
180.77475	1.3
183.11659	5.8
185.13243	13.4
187.14752	27.3
189.16322	40.4
191.14285	2.0
191.17897	7.9
197.13237	2.5
199.14737	11.2
201.16316	28.0
203.17923	12.3
205.15816	2.4
207.17348	33.4
211.14737	2.9
213.16324	8.7
215.17857	23.7
217.19481	5.6
225.16316	2.6
227.17799	5.4
229.19545	4.6
233.18974	1.6
241.19432	3.2
243.20927	13.1
245.22543	1.6
253.19603	2.0
255.20950	5.3
257.22595	2.7
267.20914	2.0
269.22525	8.2
283.24161	5.9
297.25778	2.3
349.28653	2.8
378.69971	1.4
405.35062	38.5
411.36093	5.2
423.36093	27.6
429.36755	1.6
441.37442	24.7
473.40720	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	17.3
57.03434	1.3
57.07048	6.9
58.87637	1.2
60.02425	1.3
62.52990	1.4
67.05147	2.7
67.05482	45.9
69.07043	34.3
79.05459	28.1
81.06544	2.5
81.07028	70.0
83.04946	1.8
83.08593	13.8
91.05434	26.0
92.08649	3.0
93.06418	3.1
93.07007	60.7
95.04907	2.2
95.08572	84.6
97.06467	6.8
97.10137	3.1
99.08052	1.7
105.06999	64.9
107.08562	100.0
109.06492	2.8
109.10123	94.0
117.06979	13.1
119.08545	83.6
119.09405	2.3
121.10106	57.5
123.08067	5.7
123.11654	22.2
129.06955	7.5
130.07704	1.9
131.08516	33.0
133.09074	2.2
133.10089	55.5
135.11650	58.4
137.09557	1.8
137.13211	3.1
143.08521	8.9
144.09306	2.5
145.10069	42.1
147.11642	45.3
149.13229	25.1
151.11157	1.5
155.08563	1.6
156.09351	1.5
157.10062	14.5
159.11649	53.3
161.13208	42.7
163.11104	1.8
163.14755	20.6
165.12633	6.4
169.10037	6.2
171.11604	13.6
173.13190	24.8
175.14761	25.7
177.12735	2.0
177.16364	7.6
179.14241	13.7
183.11635	3.2
185.13234	13.4
187.14729	28.9
189.16316	47.0
191.14136	2.3
191.17915	10.0
197.13252	3.4
199.14818	12.8
201.16354	21.0
203.17917	13.6
207.17375	27.1
211.14853	3.3
213.16344	8.8
215.17873	28.5
217.19444	3.6
225.16365	2.2
227.17860	7.1
229.19409	7.5
231.20993	2.9
239.17838	2.1
241.19450	2.8
243.21042	13.6
245.19118	1.5
245.22739	1.9
253.19371	2.9
255.20956	2.6
257.22665	2.0
262.11227	1.7
267.21042	2.8
269.22522	3.6
283.24203	5.7
295.24106	1.9
297.25662	2.3
323.27313	2.2
349.28735	3.2
387.38971	1.7
395.32809	2.9
401.60098	1.6
405.35059	38.2
411.36185	3.7
413.33780	3.4
423.36304	27.5
441.37576	23.2
459.34570	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.346
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
50.85107	2.4
52.09898	2.3
53.03918	2.0
55.01853	2.5
55.05494	29.0
57.07047	5.4
65.03918	2.3
66.05266	1.8
67.05478	26.9
69.03398	2.6
69.07032	32.0
71.04916	3.4
79.05453	31.0
81.07027	66.2
83.04943	3.3
83.08592	18.7
85.06520	12.3
91.05441	28.8
92.08731	2.7
93.07006	65.2
95.04936	9.1
95.08565	82.9
96.41062	2.9
97.06477	10.2
97.10149	4.6
99.08051	18.3
103.05450	2.2
105.06995	100.0
105.07680	4.2
105.17524	2.1
107.08561	97.1
109.06492	15.2
109.10123	58.4
111.08031	5.6
114.34690	2.2
117.06980	5.0
119.08535	87.5
121.06464	5.6
121.09272	3.8
121.10102	72.0
123.08015	4.6
123.11658	20.7
127.11150	10.6
129.07007	8.1
131.08531	41.0
133.06384	9.3
133.10085	69.6
133.84216	2.2
135.08023	9.6
135.11647	42.6
137.09584	8.1
137.13206	3.0
143.08542	21.0
144.09344	5.1
145.10088	54.2
147.07997	4.8
147.11632	48.0
149.05923	2.7
149.09570	10.4
149.13182	17.0
151.11151	9.1
155.08517	5.2
156.09238	3.3
157.10092	33.1
158.10773	2.6
159.11642	46.0
161.09535	8.6
161.13176	30.9
162.14989	2.7
163.14703	22.0
165.12799	3.1
165.47475	2.3
169.10020	8.2
171.11623	16.0
173.09442	3.2
173.13210	28.6
175.11108	3.9
175.14746	36.9
177.12723	2.6
177.16364	13.2
183.11626	11.9
185.13234	16.2
187.11234	3.5
187.14749	37.8
189.16336	28.3
191.14333	3.8
191.17853	4.6
197.13223	5.0
199.11148	9.4
199.14732	16.3
201.12730	5.5
201.14583	2.7
201.16241	18.8
203.14268	32.2
203.17871	15.3
205.15860	22.8
207.17421	9.7
211.14803	9.7
213.16331	9.0
215.14313	3.1
215.17825	5.5
217.15846	4.4
217.19543	2.8
221.15263	11.8
223.16792	17.5
227.17776	3.1
229.15758	4.1
243.20985	3.6
253.19449	3.1
267.20807	2.5
316.32324	2.6
322.53354	2.6
371.25818	2.7
379.51999	2.6
395.32892	4.6
405.31256	13.0
411.36023	5.1
423.31833	21.1
429.36905	2.9
441.27689	3.2
441.33395	64.8
448.15707	2.8
459.28662	4.1
459.34537	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.346
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05496	25.9
57.07050	4.2
64.47910	2.4
67.05479	24.9
69.07042	27.7
71.04966	5.0
74.30746	2.6
79.05451	23.7
81.07030	58.7
83.04957	14.8
83.08598	14.7
87.81071	2.8
90.73178	3.0
91.05440	21.1
92.09333	9.5
93.07013	59.0
94.65977	2.8
95.04954	2.9
95.08570	98.8
97.06522	3.6
99.08062	29.3
105.06995	62.0
107.08558	84.7
109.06502	5.6
109.10130	64.2
111.08057	17.2
117.06976	6.9
119.08538	100.0
121.10108	64.2
123.08020	5.8
123.10885	3.7
123.11630	24.6
125.09610	6.5
127.07558	5.1
127.11199	4.0
129.06934	4.3
131.08530	32.2
133.10083	73.3
135.08038	13.4
135.11635	41.0
137.09630	5.3
137.63625	3.0
142.07718	4.3
143.08508	21.0
145.10089	41.9
147.07997	6.0
147.11664	39.2
149.09578	6.4
149.13222	14.6
151.11189	7.3
156.09290	4.5
157.10085	17.5
159.11633	39.6
161.09612	13.1
161.13199	30.4
163.11166	12.5
163.14775	12.7
171.11656	20.7
173.13159	32.4
175.11143	4.2
175.14749	33.5
177.16328	14.0
183.11604	6.8
185.13187	14.2
187.14761	41.1
189.12674	6.6
189.16298	28.6
191.14204	6.3
191.17924	7.9
195.13757	4.5
197.13234	3.7
199.14758	17.7
201.16342	16.3
203.14261	18.9
203.17928	12.5
205.15846	16.7
207.11613	4.1
207.17461	6.9
211.14748	5.3
213.16397	5.9
215.17938	14.3
217.15758	24.2
225.16351	4.3
227.17860	5.0
229.19380	4.6
235.16817	13.1
239.17911	3.4
263.20081	4.8
368.50381	3.2
405.31308	18.6
411.35950	15.9
423.31924	26.1
429.37262	12.6
441.33344	99.0
441.38693	5.1
459.34354	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3458
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
54.81329	1.8
55.05488	11.8
57.07041	4.4
67.05468	11.6
69.07043	19.8
71.04948	2.3
79.05450	17.1
81.07027	36.6
83.04944	3.7
83.08569	10.5
85.06545	2.4
91.05446	19.8
92.63357	2.5
93.07008	36.0
95.04951	3.0
95.08024	2.8
95.08566	45.6
97.06472	2.7
99.08064	13.9
105.06992	100.0
107.08556	64.2
109.06470	8.0
109.10120	35.3
111.08024	4.0
114.14275	1.9
117.06963	9.4
119.08537	79.7
121.06459	9.0
121.10095	47.1
123.07996	8.6
123.11657	13.7
129.06963	8.2
131.08519	43.4
131.85709	1.9
133.06432	14.0
133.10083	45.6
135.07991	7.7
135.11617	18.7
136.95097	2.1
137.09537	2.5
137.13206	4.2
142.07700	2.4
143.08487	26.0
145.10075	47.4
147.11652	35.8
149.09555	10.6
149.13222	13.0
151.11134	2.7
153.06895	2.2
155.08452	3.7
157.10065	23.1
158.10843	3.1
159.11591	28.0
161.09579	3.6
161.13197	21.7
163.11131	2.7
163.14738	15.5
169.10016	11.4
170.10832	3.3
171.11618	17.4
173.13184	30.6
175.14746	21.1
177.16295	9.3
183.11598	11.1
185.13240	21.1
187.14772	26.2
189.16275	8.4
191.14223	3.8
197.13167	3.6
199.14726	22.1
201.16310	9.2
203.14273	20.8
205.15816	30.5
211.14784	3.5
213.16312	8.3
215.17822	2.9
217.15857	3.2
221.15279	4.1
223.16882	23.1
227.17770	3.0
231.17406	2.8
253.19321	3.5
267.20963	2.5
351.26501	2.4
405.31406	13.6
413.30441	2.4
423.32315	19.8
441.33466	72.5
459.28659	4.0
459.34479	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	459.346
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
51.31300	1.3
53.03929	2.3
54.81275	2.1
55.01833	2.2
55.05496	22.4
57.03410	2.5
57.07048	4.4
57.19399	1.6
59.04978	1.7
67.05476	22.4
69.03398	3.8
69.07043	24.8
71.04961	2.9
72.57065	1.6
73.37585	1.4
79.05467	26.9
81.03362	2.6
81.06557	2.5
81.07026	62.2
82.10555	1.8
83.04942	8.9
83.08582	18.4
85.02874	3.3
85.06506	7.3
91.05447	40.2
93.06431	2.4
93.07009	55.8
95.04926	9.0
95.08028	3.0
95.08569	58.2
97.06499	4.2
97.10148	2.9
99.04414	1.7
99.08054	15.3
105.07000	100.0
107.08561	67.0
108.08884	2.4
109.06496	16.6
109.10120	43.2
111.08038	7.8
117.06978	8.9
119.04987	1.8
119.08543	81.4
121.06461	8.6
121.10107	71.1
123.08008	16.1
123.11651	15.9
125.05933	2.4
129.06999	5.6
131.08539	30.2
133.06447	31.4
133.10085	57.6
135.08011	10.5
135.11655	20.4
137.09587	3.9
137.13187	2.2
139.11142	4.1
143.08522	13.7
145.10085	44.0
147.08011	19.1
147.11641	33.7
149.09589	7.0
149.13229	18.7
151.07495	8.7
151.11115	7.2
157.10074	19.0
159.08040	2.0
159.11646	23.0
161.09546	9.0
161.13206	20.2
163.11116	9.1
163.14767	25.7
169.10065	4.1
171.11588	8.4
173.09639	1.6
173.13168	17.7
175.11121	4.4
175.14758	33.3
177.16341	16.2
183.11565	3.9
185.13184	16.2
187.14764	36.2
187.48917	1.9
188.15019	1.7
189.12581	1.6
189.16286	6.7
193.15779	9.7
197.13141	2.6
197.83327	2.0
199.14755	10.5
201.12724	2.7
201.16364	7.6
203.14250	56.2
203.17827	2.9
205.15810	39.1
211.14691	2.7
213.16333	3.7
215.17863	2.3
217.15819	7.0
219.17413	2.4
221.13371	1.9
221.15254	17.4
223.16888	28.3
225.16258	2.7
227.17938	2.2
229.15848	2.9
243.20943	2.8
253.19388	2.2
280.23486	3.5
353.28152	2.2
369.27853	2.4
405.30881	3.9
408.47238	1.8
423.32758	12.4
441.28683	2.7
441.33618	46.2
459.27884	7.5
459.34570	77.1
460.34747	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3461
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.57614	1.3
55.05489	11.5
57.07054	10.2
58.48928	1.5
59.02158	1.6
66.36984	1.4
67.05484	18.1
69.07042	25.1
71.04955	2.4
71.08595	3.7
73.98627	1.7
79.05452	18.2
81.07027	49.7
83.08590	12.0
85.06510	2.6
85.10168	1.5
85.49244	1.6
89.06017	2.0
91.05434	21.7
92.08693	2.1
93.07009	47.1
95.04931	1.8
95.08575	77.6
97.06506	3.1
97.10126	6.5
99.08060	19.8
105.07000	49.1
107.08559	100.0
109.06542	2.1
109.10117	51.7
109.10856	2.0
111.08069	3.6
117.06998	4.1
119.08539	79.5
121.06503	7.0
121.10098	60.2
123.08022	2.4
123.11674	24.1
125.09621	8.1
127.07526	1.9
131.08530	38.1
133.10092	56.9
135.08011	4.2
135.11659	32.2
137.13184	12.8
139.07553	2.0
139.11046	2.0
143.08521	9.1
145.10083	50.6
147.11664	36.7
148.88377	1.9
149.09656	2.1
149.13239	18.9
151.07454	3.9
151.14783	12.1
157.10085	10.3
159.11629	32.1
161.13197	32.8
163.07518	7.0
163.11124	2.2
163.14745	22.9
169.10088	2.5
171.11629	10.3
173.13194	24.9
175.14703	15.2
177.16322	9.2
179.14230	3.5
183.11693	2.7
185.13205	10.3
187.14795	42.4
189.16319	21.2
191.17934	14.0
193.12251	2.1
195.17372	36.4
199.14749	6.8
201.16315	16.4
203.14143	1.9
203.17908	11.4
205.15852	3.4
207.17323	6.7
211.14738	3.0
213.16362	3.4
215.17784	3.6
217.19444	4.0
220.95354	1.8
225.16412	2.1
227.17868	12.5
229.19502	3.3
231.17331	1.9
231.21088	2.5
233.19008	2.0
238.22430	2.2
243.21013	2.4
281.22522	3.6
299.23560	8.4
309.22305	1.8
318.12137	1.8
323.27319	1.9
327.23203	1.9
345.24042	2.9
351.30347	3.1
369.27502	6.6
369.31543	11.2
395.32776	15.3
397.30692	2.9
407.32596	2.0
413.33881	3.6
415.31931	22.1
423.36362	3.9
441.33237	8.5
459.34238	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	459.3459
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.06158	2.4
54.36117	3.4
55.05475	20.4
57.07042	5.7
59.27689	2.9
64.53994	2.8
67.05480	24.9
69.07040	35.5
71.04942	4.3
72.66096	3.1
79.05442	21.0
81.07015	56.8
81.41949	3.1
83.08582	15.7
91.05428	19.4
93.07000	68.7
95.04886	4.9
95.08564	78.1
97.10099	3.8
99.08057	20.7
105.06974	63.0
107.08550	100.0
109.10108	57.8
117.06926	6.3
119.08519	82.4
121.10085	86.0
123.07928	5.3
123.11646	17.3
131.08479	48.1
133.10071	69.0
135.07971	6.1
135.11652	39.3
135.71034	3.4
137.13200	6.5
143.08485	7.4
145.10078	45.6
147.11627	50.9
149.13223	26.1
157.10054	14.3
159.11644	33.8
161.13191	20.2
163.14746	6.5
169.10001	4.0
171.11607	13.2
173.13144	22.5
175.14699	31.9
177.16299	77.0
183.11565	4.4
185.13120	7.0
187.14746	41.7
189.16306	27.9
191.17834	18.3
199.14783	6.5
201.16336	35.5
203.14281	6.3
203.17851	7.3
217.19476	4.1
239.43925	3.7
241.19414	3.4
337.91165	4.1
395.32800	21.2
411.36142	15.1
423.31946	15.6
423.36749	5.6
429.36929	7.1
441.32892	46.4
459.33691	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	459.3459
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.45735	2.2
52.95785	1.9
55.05486	17.1
57.07051	3.6
67.05467	18.5
69.07046	22.8
75.23254	2.5
75.45115	2.3
79.05468	16.2
81.07027	45.9
81.15009	2.8
83.04956	9.0
83.08596	13.1
85.06541	3.5
86.39103	2.6
91.05448	25.6
93.06995	58.9
95.04954	3.4
95.08564	66.7
97.06521	2.5
97.10181	3.3
99.08057	31.1
100.00255	2.6
105.06989	74.7
106.07944	2.5
107.08558	91.6
109.06493	5.8
109.10123	40.6
110.10387	2.9
111.08005	2.9
117.06953	3.4
119.08537	100.0
121.10091	82.0
123.08036	5.2
123.11673	19.1
125.09486	3.3
129.06935	4.1
131.08505	52.5
133.06451	11.0
133.10085	76.4
135.11691	20.1
137.13177	2.9
143.08522	14.8
145.10094	58.6
147.08032	2.7
147.11649	72.9
149.09625	4.8
149.13228	20.2
155.08507	4.1
157.10048	18.8
158.10913	2.5
159.11607	38.1
161.13214	20.2
163.11116	3.5
163.14801	11.7
169.10025	9.6
171.11659	12.3
173.13191	26.1
175.14748	30.3
177.16325	68.6
182.10976	2.7
183.11700	6.2
185.13202	13.8
187.14754	46.6
189.16307	20.2
191.17862	3.4
193.15807	5.2
197.13240	4.6
199.14769	13.7
201.16313	47.0
203.14192	22.9
203.17877	11.2
205.15825	16.3
207.17325	4.3
211.14786	5.4
213.16312	3.7
219.17291	4.5
223.16800	5.3
229.19531	3.0
239.17844	3.1
281.33179	2.6
395.32935	18.3
405.31369	4.8
413.34003	4.5
423.32355	10.6
441.33441	57.8
459.34555	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3457
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05497	26.1
57.03418	3.2
64.33246	2.8
67.05474	31.9
68.50790	2.6
69.07049	27.3
79.05455	21.4
81.07021	48.1
83.04992	4.4
83.08579	13.0
90.79716	2.7
91.05443	32.6
93.07023	55.0
95.04955	3.3
95.08572	70.8
97.06491	6.6
99.08047	23.5
105.06990	65.1
107.08557	88.6
108.86214	2.9
109.06514	5.0
109.10122	54.5
111.08048	5.5
113.46969	3.0
117.06959	11.7
119.08531	100.0
121.06445	12.7
121.10098	53.7
123.08036	5.2
123.11665	23.1
125.09580	3.7
129.06868	2.8
131.08531	44.3
133.06445	6.5
133.10071	69.8
135.07999	15.5
135.11649	37.0
137.09538	2.8
137.84920	2.9
143.08496	15.0
145.10089	46.1
147.08017	6.0
147.11649	62.3
149.09615	4.3
149.13199	14.3
151.11154	5.9
155.08452	4.0
157.10075	12.6
159.11632	38.4
161.09575	11.2
161.13194	39.3
163.11113	4.7
163.14793	13.3
166.64160	3.3
169.10027	4.7
171.11649	13.0
173.13158	23.5
175.11061	5.4
175.14787	26.4
177.16339	5.6
183.11639	12.2
185.13159	15.5
187.14711	26.1
189.12718	4.7
189.16251	24.0
191.17995	4.1
199.14720	11.7
201.16298	24.7
203.14163	6.2
205.15834	6.0
207.17485	3.4
211.14870	3.4
213.16356	12.0
215.17790	3.9
217.15921	4.7
217.19411	6.6
238.93913	3.5
239.16158	3.7
367.26199	4.1
371.25397	5.8
399.20914	3.3
405.31210	5.0
423.32330	20.9
441.33398	82.6
459.27963	3.9
459.34579	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	459.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93888	3.0
55.05497	24.5
57.05555	2.6
57.07045	4.7
61.20042	2.6
62.14048	2.8
67.05477	33.9
69.07049	44.8
76.20052	2.8
79.05469	26.5
81.07021	70.9
83.08588	35.7
85.06562	3.9
91.05456	25.6
93.07005	59.2
95.08575	90.2
95.09148	5.5
97.06509	3.7
97.10111	5.5
99.08056	4.0
99.15185	3.0
103.72063	2.9
105.06995	56.9
107.04896	4.1
107.07846	3.7
107.08549	100.0
109.06500	4.7
109.10117	73.3
111.08001	10.0
117.06985	14.7
117.58456	3.1
119.08530	85.0
121.10098	62.4
123.08030	12.7
123.11662	17.6
125.09549	3.5
129.09096	5.3
131.08537	30.2
133.10086	64.3
135.08049	4.0
135.11646	40.7
137.09608	6.5
137.13208	4.4
139.11102	3.7
143.08519	7.2
145.10075	45.5
147.11662	50.5
149.09691	4.9
149.13263	36.5
151.11139	5.2
155.08673	3.4
157.10112	18.1
159.11659	39.1
161.09691	4.1
161.13181	45.7
163.11147	3.4
163.14732	25.9
169.10103	3.5
171.11668	15.4
173.13177	30.0
175.14784	39.2
177.16374	13.4
179.14301	5.2
183.11591	5.5
185.13235	6.9
187.14737	29.5
189.16335	54.5
191.17944	7.4
191.84552	3.4
197.13148	4.7
199.14743	15.6
201.16353	19.3
203.17993	7.6
205.15811	17.9
207.17412	14.2
211.14827	4.1
215.17874	12.3
217.19470	12.1
227.17952	4.5
229.15981	3.8
229.19467	11.8
241.19487	3.9
243.21057	13.9
255.20889	3.1
257.22516	3.7
377.32001	3.5
395.32993	29.4
405.35248	6.4
413.34024	36.7
423.32401	19.2
441.33044	29.5
459.34821	6.0
470.55746	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	459.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	13.4
57.07049	2.9
66.13528	2.1
67.05468	12.6
69.07030	12.0
71.88499	1.8
79.05460	5.3
81.07035	31.8
83.04954	2.7
83.08601	4.5
85.06487	4.9
91.05444	11.8
92.08678	8.1
93.07001	25.9
95.08582	41.2
99.07417	3.9
99.08057	100.0
105.06987	29.0
107.08564	42.0
109.06516	3.1
109.10114	37.7
111.08031	5.4
117.06986	2.5
119.08537	34.1
121.10098	38.3
123.11658	11.6
125.09594	4.0
127.07513	22.5
129.06938	3.0
131.08505	22.0
133.10094	43.4
135.08008	3.9
135.11644	17.0
137.09483	2.7
137.13190	2.5
142.07802	2.4
143.08493	8.5
145.10077	33.5
147.11665	20.1
149.09567	8.4
149.13155	4.3
151.11076	5.0
157.10103	12.9
159.11607	29.8
159.14328	2.1
161.13191	19.9
163.11150	7.5
163.14713	2.8
169.10071	3.3
171.11642	4.8
172.12369	3.4
173.13152	19.2
175.14751	15.7
177.16414	3.3
185.13203	11.1
187.14764	13.8
188.30789	2.4
189.12628	2.2
189.16306	9.7
191.14243	5.2
199.14708	13.1
201.16338	12.9
203.17824	2.5
211.14868	2.6
213.16298	3.9
215.17873	9.0
217.15781	3.4
219.17366	21.6
225.16345	2.6
235.16966	3.3
311.23523	3.2
323.88437	2.5
353.74088	2.4
395.33163	7.5
405.31363	26.1
423.32309	42.8
441.33035	12.0
441.37427	10.0
459.30624	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	458.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92311	1.5
53.18303	1.5
55.05486	4.4
57.07060	23.3
58.38198	1.5
65.08474	1.8
67.05472	8.7
69.07030	9.9
71.07292	1.7
71.08601	38.1
77.75693	1.5
79.05458	13.2
81.07023	18.1
83.04953	1.6
83.08583	3.2
84.06891	1.6
85.06518	1.7
85.10146	14.4
89.05994	52.3
91.05431	21.9
93.07006	39.8
95.04930	11.2
95.08566	31.5
97.06488	2.5
99.08064	9.0
103.05447	4.3
105.06997	50.3
107.04944	2.5
107.08559	43.5
109.06483	3.9
109.10138	15.2
117.06976	3.1
119.08533	48.7
121.05612	3.1
121.06458	56.9
121.10099	30.5
123.08028	2.0
123.11631	4.1
129.06937	3.0
131.08511	27.3
133.06447	4.4
133.08578	17.6
133.10068	19.9
135.08012	9.0
135.11661	10.3
137.53641	1.8
138.28203	1.9
138.82613	1.7
143.08522	11.9
145.10094	20.8
147.07985	12.5
147.11606	17.5
149.09589	13.1
149.13225	3.9
155.08539	1.9
157.10107	11.4
159.11597	14.8
161.09509	2.7
161.13229	14.8
163.11121	31.2
163.14793	3.8
165.09148	14.6
169.10056	3.2
171.11606	9.0
173.13251	15.8
175.14757	15.8
177.11188	3.0
177.12654	3.9
177.16344	2.2
183.11661	6.7
185.13161	13.0
187.14771	15.5
191.14226	2.4
197.13153	2.8
199.14803	11.2
201.16316	2.8
203.14250	21.2
205.15762	27.5
209.11624	4.1
211.14909	3.0
213.16382	7.7
217.15880	2.9
227.17810	2.7
231.17430	2.5
247.20506	6.8
253.19391	2.2
267.20898	2.1
291.23114	7.2
315.17923	51.5
319.97321	2.0
328.57370	2.0
351.26755	7.7
405.31418	15.4
423.32410	100.0
441.32941	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70278	0.9
54.17096	0.7
55.01857	0.9
55.05494	8.2
57.07055	1.2
59.04976	1.3
60.47133	0.8
61.02932	1.1
65.15115	0.9
67.05482	16.8
69.03407	13.2
69.07051	12.7
71.04962	4.1
73.02914	1.2
78.53825	1.0
79.05464	2.4
81.03388	3.8
81.07020	19.9
83.04955	11.1
83.08598	7.0
85.02893	14.3
85.06507	3.8
87.00808	6.5
91.05449	2.3
93.07013	7.9
95.08567	33.6
95.09148	1.6
96.88951	0.9
97.02861	4.7
99.08053	2.4
101.59491	1.0
105.07004	5.1
106.30225	1.0
107.08569	23.2
109.02856	4.2
109.06499	10.1
109.10122	100.0
111.08044	1.8
113.09610	1.1
119.08538	29.6
121.10109	15.1
122.07148	1.0
123.08020	15.5
123.11645	7.7
127.03869	4.9
133.10083	15.8
135.11649	80.4
137.09552	17.7
145.10133	1.5
147.11652	1.6
149.13225	5.0
151.11099	7.0
151.14749	10.3
153.12671	1.6
159.02885	1.0
165.16330	1.7
175.14745	25.7
175.16168	1.2
193.15802	38.0
211.16853	44.0
235.65121	1.1
248.87540	1.2
273.82263	1.2
323.12067	1.1
426.90268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68772	0.7
53.00279	1.1
53.03927	1.2
55.01851	3.5
55.05497	13.6
55.40002	0.7
56.96559	0.7
57.03423	5.7
57.07059	0.7
59.04982	1.6
61.02908	5.7
67.05472	1.8
69.03405	12.9
69.07043	100.0
71.04961	5.2
73.02874	4.1
75.76207	0.9
79.05483	1.3
81.03382	5.2
81.07019	4.2
83.08590	1.5
85.02876	57.7
85.06525	0.9
87.04439	3.7
89.05997	62.3
91.03936	1.1
91.05447	3.4
93.06999	1.9
93.42393	1.1
94.07314	0.9
95.08568	4.4
97.02849	14.3
97.53403	0.7
99.04412	1.8
103.05430	1.0
105.06991	2.8
107.07015	3.2
107.08552	4.8
108.08938	2.8
109.02839	5.1
109.06461	0.9
109.10091	1.4
111.11688	14.5
115.03887	1.3
119.08537	1.5
121.06493	1.2
121.10103	1.8
121.18997	0.7
123.04290	1.0
127.03864	9.6
131.04871	1.3
131.08470	1.1
133.08562	28.6
133.10089	8.3
134.10426	6.6
135.08028	2.0
137.09560	4.6
138.09930	1.2
145.02795	3.4
145.04916	13.0
145.10101	1.0
147.11642	6.6
148.12021	3.4
148.96036	0.8
149.09593	1.5
149.13174	1.8
151.08397	1.6
151.09612	42.2
151.85126	0.8
163.03827	1.1
163.05956	6.4
173.13216	1.1
174.13498	1.3
177.05470	2.7
191.14275	10.1
192.14581	10.8
209.15268	6.8
210.15585	7.7
211.31664	0.8
213.05435	0.9
261.14682	1.1
261.20508	42.8
279.21573	15.8
284.48938	0.9
400.16321	0.8
416.57703	0.9
457.23709	1.4
458.14584	2.6
458.24561	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	458.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67318	0.3
53.03926	3.8
55.01851	4.0
55.05463	0.4
56.03107	0.3
57.03419	7.5
59.04984	0.6
61.02602	0.6
61.02903	11.6
61.03210	0.4
64.32902	0.3
64.75291	0.3
66.27828	0.3
69.03401	35.5
71.01342	0.3
71.04954	3.9
73.02888	10.2
73.16161	0.4
79.38756	0.4
80.04971	0.4
81.03381	27.9
83.01312	0.7
85.02872	100.0
87.04434	22.3
91.03908	6.3
92.08680	0.4
97.02848	31.8
99.04414	6.7
101.02353	1.3
102.61912	0.3
103.03919	1.4
105.07002	0.3
108.04445	3.8
109.02088	0.3
109.02832	13.2
115.03886	39.4
126.05434	0.6
127.03864	41.7
133.04910	8.1
134.31932	0.4
145.04909	40.7
163.05972	3.9
187.05978	1.4
214.41025	0.4
241.07034	1.5
246.57697	0.3
259.08002	10.7
277.09073	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	458.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
54.80526	0.2
55.01851	0.3
55.05500	3.5
57.07039	0.3
65.03920	0.3
67.05476	2.9
69.03389	1.3
69.07047	4.5
70.06562	1.5
73.02891	0.3
79.05466	3.0
81.03380	1.1
81.07027	6.4
83.08599	1.6
85.02876	2.7
87.00797	1.0
91.05447	13.5
91.97295	0.2
93.07013	6.0
93.11687	0.2
95.04956	0.5
95.08573	8.9
97.02837	1.1
97.06495	0.3
99.04424	0.4
103.05414	1.2
104.06243	0.4
105.01839	1.1
105.07001	20.3
107.08562	18.8
108.08925	0.4
109.02860	1.0
109.06484	1.1
109.10135	2.4
113.09582	0.3
114.34682	0.2
115.05465	0.4
117.06982	6.8
119.08542	100.0
120.08847	0.3
121.10100	3.1
123.11673	0.9
127.03869	1.5
127.34534	0.2
131.08527	1.9
132.82124	0.2
133.10095	12.5
135.11671	1.6
143.08524	0.5
145.04916	1.1
145.10098	2.1
147.11646	3.0
149.13243	0.6
152.11497	0.3
157.10092	0.6
159.11665	1.3
160.12325	0.3
161.13222	0.4
161.47464	0.2
173.13228	1.4
175.14763	20.3
187.14742	0.9
189.16383	0.3
199.14694	0.4
201.16367	0.4
215.17842	2.3
216.18288	1.1
227.17876	1.3
228.18384	0.3
231.05074	0.4
241.19540	0.3
243.20996	0.4
249.06204	0.3
261.18515	0.4
261.21994	0.3
273.18289	0.3
293.06830	0.3
393.31439	1.0
394.31912	0.5
409.24423	0.3
440.32318	0.4
457.33047	0.4
458.33417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78538	0.1
54.03731	0.1
69.03403	0.4
69.07032	0.2
69.21429	0.2
70.06565	0.2
71.04981	0.2
71.72353	0.1
79.05486	0.3
83.04939	0.2
84.80179	0.1
85.02866	1.0
85.06513	0.9
91.05448	0.4
93.07012	0.8
95.04925	0.2
98.97581	0.3
103.05432	4.9
107.04913	1.9
111.04459	0.3
113.05984	0.7
115.03852	0.3
116.98575	0.2
119.04859	0.2
120.08067	100.0
121.08389	0.8
127.03886	0.3
131.04880	2.6
131.06964	1.2
138.96614	0.2
147.04369	1.1
148.04704	0.3
149.05937	1.5
166.08577	25.7
185.93356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01855	2.3
55.05485	2.5
55.27686	1.2
56.96558	1.2
57.03407	7.6
57.07041	1.3
60.27711	1.0
61.02911	9.2
64.79548	1.1
67.05471	2.7
69.03403	39.3
69.07037	5.4
71.04950	3.1
73.02878	12.1
79.05459	5.7
81.03386	21.2
81.07027	8.4
83.04939	1.7
83.08573	1.7
85.02876	100.0
85.10146	3.0
86.03245	2.0
87.04443	22.0
89.06005	14.3
89.07954	1.4
89.09837	1.2
91.03912	7.9
91.05444	8.2
93.06998	8.5
95.04962	2.0
95.08581	9.9
97.02866	27.8
97.06507	1.6
99.04398	6.6
105.06997	14.5
107.08556	14.0
108.04443	4.9
108.05144	1.5
109.02837	11.2
109.10097	2.6
115.03890	35.9
119.08545	14.9
121.10110	6.7
122.10404	1.5
127.03872	35.4
131.08545	6.7
133.04947	11.2
133.08598	4.4
133.10109	12.1
134.10400	1.5
135.07959	2.8
135.11624	1.7
143.08517	1.7
145.04913	34.1
145.10077	8.6
147.11615	5.3
148.04779	1.5
149.13193	1.7
154.74301	1.4
157.10118	3.0
159.11650	5.7
160.12091	1.4
161.13229	2.0
169.10011	1.9
171.11644	2.3
173.13213	2.6
174.13593	1.4
175.14780	2.4
183.11610	2.3
185.13286	2.3
187.14767	5.4
199.14796	2.4
200.15038	1.4
205.50914	1.5
259.08075	12.4
279.21582	11.2
409.31113	1.6
440.32214	3.2
458.33243	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	457.3668
Annotation	Bacosine
Peak:m/z	Relative Intensity
53.00291	0.8
53.03924	0.9
54.81254	0.6
54.92430	0.7
55.05496	11.3
57.07057	7.9
61.88473	0.7
67.05154	1.1
67.05482	20.2
69.03405	0.7
69.07043	22.2
71.04948	1.0
71.08573	0.8
79.05451	12.3
81.07027	62.4
83.04948	1.0
83.08592	11.5
83.41923	0.7
91.05436	9.2
93.07008	25.2
95.04912	1.2
95.08569	100.0
97.06515	1.6
97.10130	6.6
105.06989	21.4
106.69639	0.7
107.08558	45.3
109.06506	1.5
109.10123	50.4
111.08062	3.6
111.11732	1.0
111.51846	0.7
117.06967	2.9
119.08541	44.7
119.09402	1.5
121.10095	35.4
123.08035	0.8
123.11663	29.8
131.08507	8.8
133.10088	30.2
135.11652	26.4
137.13223	22.3
143.08511	2.0
144.09177	0.9
145.10078	12.3
147.11655	27.7
149.13213	14.5
151.14758	1.2
153.09059	6.3
157.10086	3.6
158.10936	0.9
159.11649	11.8
161.09541	0.9
161.13200	15.1
163.14764	19.2
167.10612	1.1
171.11671	4.8
173.13191	10.1
175.14754	14.9
177.16328	9.3
179.17882	5.3
183.11580	1.1
185.13098	1.1
187.14746	9.4
189.16322	55.6
191.14201	2.0
191.17889	27.4
191.19604	0.9
193.12292	1.0
197.13144	1.0
199.14742	1.7
201.16325	12.0
203.17897	43.7
205.19498	4.5
207.17329	3.5
213.16277	13.7
215.14281	1.2
215.17891	20.4
217.12216	3.6
217.19498	5.6
219.17369	0.9
221.19009	1.5
227.17926	1.2
229.19493	0.9
231.17427	1.6
231.21042	5.3
233.15459	1.0
235.16824	5.1
243.20985	2.0
245.15419	1.0
245.22470	1.1
247.16853	1.6
249.18419	8.3
252.27626	0.9
255.21167	1.0
257.22528	1.6
259.16812	6.2
261.18387	10.5
267.33282	0.9
269.22488	1.1
271.24319	0.9
393.34924	8.8
411.36029	17.6
439.35837	22.9
457.37033	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	457.3668
Annotation	Aegicerin
Peak:m/z	Relative Intensity
53.00284	1.7
55.05498	27.2
55.67541	1.4
57.07063	13.4
58.35836	1.4
67.05480	31.8
69.03391	2.5
69.07045	59.6
71.08607	2.8
79.05457	30.9
81.07024	73.5
83.04951	4.1
83.08600	18.7
85.06528	3.3
91.05447	25.4
93.07008	68.2
95.04913	3.0
95.08570	87.0
97.06482	7.8
97.10108	6.5
99.08079	2.3
105.07005	60.1
107.08563	100.0
109.06487	9.3
109.10125	86.5
111.08051	4.3
111.11687	4.0
116.85977	1.6
117.06979	9.3
119.08535	91.4
121.06466	3.1
121.10104	76.8
123.08020	9.4
123.11657	46.3
129.06923	3.3
131.08528	27.1
133.10085	76.7
135.08038	7.8
135.11650	50.8
137.09569	2.2
137.13231	12.0
139.07574	2.0
142.07732	2.7
143.08516	12.5
145.10094	44.3
147.08015	3.0
147.11644	45.9
149.09540	2.5
149.13210	20.6
151.11128	3.0
155.08458	3.1
156.09282	2.9
157.10068	17.3
159.11636	39.5
161.09598	3.6
161.13196	31.2
163.11140	3.5
163.14735	19.1
165.09082	3.5
169.10170	2.9
171.11575	15.4
173.13170	22.0
175.11256	2.4
175.14754	23.5
177.16350	15.1
179.10657	3.9
179.14374	2.2
183.11626	7.5
185.13176	12.1
187.14746	31.3
189.12708	3.0
189.16319	23.7
191.14195	1.8
191.17885	14.5
193.15775	2.5
197.13185	7.1
199.14793	9.7
201.16333	15.4
203.14183	2.4
203.17908	12.7
205.15810	8.5
207.17400	2.8
211.14746	3.0
213.16364	6.9
215.14243	2.4
215.17873	3.1
217.19456	2.7
225.16455	2.1
227.17793	3.4
229.19502	2.2
231.17390	2.3
238.79674	1.7
241.19496	2.3
243.20929	3.5
246.39308	1.8
247.16994	2.9
313.21384	2.4
315.22906	2.1
323.27377	2.1
371.29291	14.5
383.29245	3.9
389.30148	3.8
401.30103	2.9
421.34875	2.8
429.36978	9.6
439.35925	49.5
457.37054	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
55.05498	30.4
57.03392	3.3
57.07040	13.0
59.04979	4.7
67.05477	41.4
69.07040	39.2
71.04969	6.1
72.05744	6.9
75.24143	3.0
79.05464	36.6
81.07020	67.2
83.04948	7.2
83.08578	22.5
85.06516	11.8
91.05447	30.8
93.07009	63.1
94.04523	3.6
95.04917	13.4
95.08570	93.5
97.06513	27.4
99.08041	25.0
105.06990	67.1
107.08562	97.9
109.06469	5.3
109.10125	68.0
111.08076	31.7
111.08696	4.6
113.06001	11.7
117.06968	12.9
119.08543	100.0
121.10094	68.7
123.08007	8.2
123.11686	27.2
125.05982	4.7
125.09597	5.0
129.06950	5.1
131.08537	30.5
133.10075	65.8
135.08017	30.0
135.11621	48.5
137.09586	7.4
137.13153	5.9
143.08501	18.1
145.10068	52.4
147.08044	5.0
147.11659	51.8
148.68506	3.6
149.09502	6.1
149.13220	22.7
151.07445	3.9
155.08423	5.5
157.10036	24.4
159.11632	59.8
161.09601	6.6
161.13194	37.9
163.11134	7.4
163.14769	15.9
169.10088	4.0
171.11638	19.5
173.09561	5.3
173.13177	32.0
175.11130	12.9
175.14774	25.5
177.12846	4.6
177.16406	5.4
181.10037	3.6
183.11708	7.5
183.56741	3.3
185.13203	20.7
187.02666	3.4
187.14777	42.4
189.12714	6.0
189.16296	21.6
191.14217	5.5
197.13168	7.2
198.13904	3.4
199.14732	25.5
201.12709	7.1
201.16325	16.8
203.14241	16.9
203.17805	5.8
205.15846	12.5
209.13287	4.7
211.14833	5.3
213.16328	21.7
215.14336	3.4
215.17912	18.9
217.15781	17.8
219.13742	12.6
223.14716	3.7
225.16336	3.8
227.17920	7.5
229.19441	5.9
230.54105	3.1
241.19394	12.4
253.19443	3.8
255.21051	4.5
267.21045	12.6
269.22485	26.1
285.21991	16.5
287.23712	13.2
291.83038	3.5
297.25583	6.0
315.26541	3.8
351.94824	3.2
392.65833	3.7
421.30859	16.9
423.35928	26.9
439.31479	76.9
439.44055	3.7
457.31815	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	457.3664
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
52.48485	0.7
54.56170	0.6
55.05499	6.0
57.07063	2.8
58.32288	0.7
61.48571	0.6
63.73523	0.7
67.05483	9.9
67.09525	0.7
69.07036	8.9
71.04984	1.0
79.05448	5.5
81.07027	18.3
83.04953	6.5
83.08587	5.7
85.06508	1.1
91.05441	6.2
93.07003	19.4
93.07489	0.9
95.04955	4.1
95.08564	28.7
95.09132	1.2
97.06497	1.8
97.10133	1.9
99.08083	4.0
105.06998	21.5
105.07668	1.0
107.08556	29.9
109.06506	1.8
109.10122	15.5
109.87014	0.9
111.08057	1.2
117.06992	1.5
119.08525	24.8
121.06513	1.1
121.10097	20.1
123.08076	4.9
123.11629	8.4
125.09589	3.4
129.07010	1.1
131.08539	6.4
133.10078	17.8
135.07994	5.5
135.11646	12.5
137.09618	1.0
137.13214	1.6
139.11201	0.8
143.08600	5.2
145.10081	8.7
147.08061	1.7
147.11635	12.3
147.12553	0.7
149.09569	6.4
149.13246	4.9
151.11101	1.0
157.10124	5.1
159.11613	7.2
161.09627	5.2
161.13226	8.5
163.11125	1.5
163.14853	4.1
169.10110	1.5
171.11722	3.2
173.13240	5.9
175.11176	3.5
175.14737	10.1
177.12833	1.2
177.16266	5.5
179.14302	1.1
179.68089	0.9
183.11751	3.5
185.13272	3.3
187.11252	0.9
187.14764	6.8
189.12755	1.4
189.16295	9.2
191.17929	3.2
193.15744	0.9
197.13246	1.2
199.14757	2.6
201.12686	0.9
201.16417	3.5
203.14323	4.8
203.17966	5.0
205.15916	1.3
211.14899	1.3
213.16350	1.6
215.17824	1.3
217.15932	1.4
221.18967	1.0
225.16409	1.2
227.17935	1.0
229.19637	0.9
231.17470	1.2
235.16943	3.8
241.19498	1.3
249.18503	0.9
285.22046	1.1
303.23276	1.3
379.89050	0.9
403.52820	1.0
413.30148	7.8
421.35397	1.2
439.31833	4.1
439.36389	3.3
457.36871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3664
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05487	8.2
67.05481	18.9
67.44406	1.8
69.07035	17.8
73.43264	1.9
79.05472	14.4
81.07025	42.8
83.08584	9.3
90.67155	2.1
91.05453	9.8
92.08675	7.2
93.07003	38.7
95.08569	93.9
97.10140	2.5
105.07004	22.5
107.08562	78.0
109.10135	42.4
111.08008	3.4
114.75932	2.0
114.76734	2.1
119.08523	38.3
121.10095	45.3
123.08016	2.8
123.11656	12.1
131.08554	4.4
133.10095	36.3
135.11667	37.0
137.13214	3.7
145.10110	8.4
147.11642	23.4
147.21030	2.3
149.13210	32.4
159.11664	4.6
161.13187	18.9
163.14764	54.1
173.13193	8.6
175.14781	17.2
177.12596	2.2
177.16258	14.6
178.71596	2.0
179.14212	3.0
187.14746	12.2
188.28099	2.2
189.16344	31.6
191.17888	31.4
201.16364	2.5
203.17899	42.4
205.19449	8.2
215.17969	3.8
217.19452	10.2
229.19295	2.2
231.21060	8.6
249.18567	3.8
297.25558	8.8
315.26782	2.8
393.35077	10.5
411.36050	100.0
439.35458	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14906	4.1
51.29566	4.8
52.94852	5.1
55.05491	23.9
57.07070	6.3
67.05470	35.8
69.07056	37.2
69.07361	5.3
75.19993	4.2
76.52982	5.4
79.05451	28.6
81.07030	72.9
83.08585	8.9
84.60963	5.1
91.05428	35.4
93.07008	81.4
95.04873	6.7
95.08575	100.0
95.37201	5.2
99.08064	7.7
105.06995	58.4
107.08566	99.4
109.10120	61.3
113.06045	6.2
117.07013	9.4
119.08543	72.8
121.10105	73.9
123.08049	9.8
123.11657	24.0
125.09586	5.5
131.08513	24.8
133.10088	55.3
135.11635	46.5
139.11086	6.2
142.07767	6.0
143.08498	12.2
145.10092	34.1
147.07997	9.1
147.11613	34.2
149.13252	23.4
157.10065	21.5
159.11618	24.9
161.13200	11.2
162.85284	5.3
163.14783	24.6
171.11623	9.1
173.13200	7.6
175.14767	24.6
183.11649	8.3
185.13052	6.6
187.14702	20.7
189.16338	28.0
191.17892	37.2
197.13152	6.4
199.14688	7.3
201.16267	7.4
203.17889	24.9
239.17859	5.8
255.21054	7.1
421.34674	10.6
439.36133	39.3
444.10941	5.6
457.32675	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.7
57.01019	1.5
57.07043	3.5
64.60783	1.8
66.95108	1.4
67.05476	17.5
69.06711	2.4
69.07032	23.6
79.05453	10.1
81.07021	49.0
83.08577	10.9
84.93888	1.6
85.06493	1.8
91.05433	13.8
92.08700	4.2
93.06998	46.6
95.07951	3.8
95.08562	100.0
95.53037	1.8
97.10117	8.9
105.07000	26.6
107.08549	73.7
109.10119	50.0
119.08535	60.9
121.09289	2.7
121.10098	64.9
123.11687	16.9
131.08546	3.4
133.10075	40.4
135.07965	1.7
135.11647	37.1
137.13214	3.3
145.10074	6.9
147.11638	30.0
149.13210	32.8
153.09018	2.6
157.10100	2.0
159.11635	11.0
161.13199	31.0
163.14745	48.6
173.13159	3.4
174.89619	1.9
175.14703	22.2
177.16336	19.5
179.14293	2.6
185.13196	2.0
187.14740	11.5
189.16322	63.6
191.17892	43.6
201.16336	11.1
203.17899	68.6
205.19452	10.6
207.17403	2.8
215.17760	2.6
217.19496	12.4
221.18832	1.9
229.19373	2.4
231.20938	15.9
249.18425	8.0
314.42841	2.0
393.35007	8.5
411.36008	86.1
439.35553	28.5
457.35513	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3663
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05502	19.1
57.07050	64.4
66.29414	4.6
67.05481	28.3
69.07039	37.4
70.06558	34.2
71.08595	30.1
71.55143	4.6
79.05470	12.5
81.07024	67.4
83.08582	9.1
85.06493	5.2
88.07607	55.2
91.05446	24.7
93.03938	4.6
93.07020	55.4
95.08572	90.4
97.10178	6.4
102.09161	26.3
105.07006	58.5
107.08553	62.5
109.10127	50.4
119.08559	52.7
121.10076	45.7
122.09669	6.9
123.11662	11.0
131.08531	10.6
133.10091	40.4
135.11638	30.5
143.08469	6.4
145.10088	21.5
147.11642	35.7
149.13235	25.7
157.10133	7.0
159.11681	36.2
161.13222	20.8
163.14754	9.0
171.11644	6.2
173.13185	10.4
175.14752	25.7
177.16277	8.0
187.14725	10.1
189.16344	10.8
200.20038	100.0
201.16281	13.1
201.20233	17.7
201.73651	5.4
207.17386	8.7
215.17892	7.5
283.26248	91.6
284.26559	62.5
288.74731	5.6
409.34393	11.6
421.34506	10.8
439.35440	38.5
456.43985	84.6
457.35309	69.2
457.43967	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.33
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04782	2.1
53.11204	2.0
54.59430	2.1
54.81224	2.4
55.05481	15.6
56.02052	2.6
57.03411	3.5
57.07040	3.6
59.04993	3.5
67.05470	19.2
69.03390	20.0
69.07034	17.4
71.04961	2.5
79.05455	24.9
81.03375	17.8
81.07019	34.2
83.04971	4.4
83.08585	10.2
85.02861	22.8
85.06497	6.1
85.64577	2.2
86.31470	2.5
87.04394	2.6
91.05437	29.8
92.08730	5.6
93.06999	41.4
95.04914	15.7
95.08567	49.1
97.02860	10.3
97.06465	5.6
97.10120	2.8
97.91160	2.4
99.08053	38.5
103.92612	2.7
105.06985	49.5
107.08548	86.9
109.06467	12.9
109.10119	22.9
111.08023	3.9
115.03834	2.6
117.06997	10.1
119.08534	68.7
120.08904	2.5
121.06439	12.9
121.10103	38.2
123.08021	53.5
123.11649	6.0
125.09544	2.9
127.07498	3.3
128.06126	2.9
129.06993	4.9
131.08513	40.7
132.95679	3.4
133.06390	3.5
133.10071	53.1
134.98729	2.4
135.08000	11.0
135.11630	15.8
137.09566	4.4
139.11078	2.8
143.08531	20.5
145.10075	40.8
147.08000	4.1
147.11617	30.9
148.28397	2.5
149.09552	13.1
149.13153	10.9
157.10085	23.2
159.11613	26.8
161.09518	5.6
161.13217	19.4
163.11078	4.3
163.14722	3.1
169.10054	13.5
171.11687	19.0
173.13158	23.7
174.96872	10.8
175.11261	3.1
175.14792	17.8
177.09035	2.6
177.12556	3.1
177.16289	2.9
183.11586	10.2
185.13091	13.8
187.14764	18.9
189.12669	10.1
189.16293	5.1
191.14258	3.4
195.11633	3.9
197.13245	3.8
199.14775	10.5
201.16312	10.5
203.14229	9.6
211.14781	3.4
213.16307	5.0
215.14233	4.1
217.15863	4.4
231.17303	2.7
308.74966	2.7
323.23660	5.1
395.29260	5.3
413.30344	100.0
421.30762	14.3
439.31815	30.5
457.32950	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	457.33
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
51.61627	1.2
52.67915	1.3
55.05488	8.7
57.07068	2.3
60.44507	1.3
67.05471	15.1
69.07032	9.1
71.04958	2.3
79.05465	16.6
81.03391	11.7
81.07009	21.3
83.04953	6.1
83.08594	2.2
85.06500	2.1
91.05443	12.9
93.07004	24.9
93.62939	1.4
95.04921	12.0
95.08569	38.6
99.08055	32.9
104.43919	1.5
105.06992	29.8
107.08554	68.0
109.06499	1.8
109.10115	15.7
111.08013	2.5
113.19457	1.4
117.06915	2.7
119.07734	3.1
119.08535	56.1
121.06467	1.5
121.10088	24.8
123.08020	43.8
123.11665	2.9
124.00053	1.6
125.09581	2.5
127.07497	7.2
129.06982	3.4
131.08530	18.7
133.10086	36.7
135.07997	8.4
135.11664	10.9
137.09561	5.8
143.08542	7.8
145.10069	22.2
147.07982	2.4
147.11600	18.5
149.09576	5.5
149.13240	6.9
157.10130	10.8
159.11665	12.6
161.09569	5.5
161.13206	16.1
163.11093	3.4
163.14790	6.8
169.10069	3.5
171.11595	10.4
173.13228	12.2
175.14760	10.4
177.16394	5.9
179.14238	2.9
183.11621	5.4
185.13168	8.1
187.14720	19.5
189.16275	7.6
191.14262	3.0
197.13297	2.6
198.14009	1.7
199.14777	9.0
201.16333	7.8
203.14259	6.4
203.17804	2.1
205.15807	3.7
211.14716	2.5
213.12527	2.0
213.16330	3.2
215.17882	1.9
217.15819	5.7
229.15718	1.5
231.17236	3.2
241.19498	1.8
251.17996	1.9
255.17535	2.5
323.23532	5.9
367.26147	1.9
375.30450	2.0
393.31342	1.9
395.29282	9.5
413.30319	100.0
414.30444	1.8
421.30826	12.1
439.31494	19.1
457.32309	17.0
457.36798	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3303
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.09483	2.3
55.05489	16.4
57.02558	2.5
57.03436	2.3
57.07048	5.1
65.03942	2.6
67.05470	16.4
69.03412	3.1
69.07043	16.3
69.36176	2.8
79.05473	16.6
81.07021	38.2
83.04944	5.3
83.08595	6.6
84.31271	2.8
85.06498	5.5
89.09309	2.9
91.05448	21.0
93.06994	34.6
95.04928	3.4
95.08567	56.8
99.08076	4.2
105.06992	44.1
107.08561	64.7
107.09220	3.9
109.06467	4.3
109.10131	41.7
113.05991	3.0
117.06982	13.6
119.08538	69.2
121.10096	65.4
123.08022	3.3
123.11640	11.6
123.68209	3.0
125.09577	4.8
129.06943	3.6
131.08513	36.4
133.06467	3.2
133.10085	51.1
135.07999	4.8
135.11649	37.7
137.13193	4.2
143.08553	16.1
145.10077	70.3
147.08000	3.7
147.11647	35.2
149.13213	10.2
151.23315	2.9
155.08536	3.0
157.10098	17.9
158.10840	4.8
159.11653	38.0
161.09579	15.6
161.13245	21.2
163.14774	4.2
169.10092	3.6
171.11613	18.1
173.13235	29.7
175.11208	3.3
175.14816	20.2
177.16344	6.1
183.11646	13.2
185.13135	20.3
187.14774	63.5
189.12724	3.7
189.16316	27.0
191.14323	3.5
197.13248	5.5
199.14851	4.5
201.16267	26.3
203.14389	3.6
203.17914	4.3
205.15797	5.6
209.15381	3.2
211.14735	3.9
213.16223	9.6
215.14198	4.2
223.14758	3.2
227.17937	3.7
269.19287	3.3
269.22382	3.3
351.29959	3.5
367.26230	5.3
385.27344	3.3
393.27145	4.4
393.31580	6.9
403.30087	3.0
411.32349	30.4
421.30994	12.4
439.32327	27.0
457.32941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.6
57.07057	0.8
65.03918	0.8
67.05482	9.2
69.07043	5.0
71.04946	1.9
79.05464	14.3
81.03380	15.6
81.07028	9.5
83.04938	1.2
83.08585	1.7
85.06489	1.3
91.05429	10.1
92.09391	3.4
93.07007	18.6
94.80096	0.7
95.04934	12.7
95.08567	25.9
97.06532	1.4
99.08056	40.9
105.06999	21.6
107.08559	45.0
108.85003	0.9
109.06498	1.9
109.10117	6.8
117.06961	5.4
119.08538	33.8
121.06475	1.1
121.10090	11.9
123.08022	58.1
123.11694	1.5
125.09617	1.2
127.07507	8.3
129.06999	1.5
131.08530	16.0
133.10078	24.3
135.07999	4.3
135.11646	4.3
137.09589	2.1
143.08508	6.8
145.06438	1.1
145.10071	16.5
147.08017	2.1
147.11647	11.2
149.09596	1.2
151.11107	1.1
157.10083	7.4
159.11629	13.1
161.09570	1.9
161.13197	12.8
163.11115	1.8
165.24266	1.0
169.10077	4.9
170.10902	1.0
171.11647	4.3
173.13211	8.8
175.11150	1.5
175.14709	3.0
179.14252	1.6
181.10046	1.3
183.11688	1.4
185.13197	5.2
187.14790	13.1
189.12608	3.1
189.16341	1.1
191.14265	3.6
195.11644	1.4
197.13213	1.8
199.14847	4.6
201.12613	1.6
201.16321	3.4
203.14238	3.9
205.15906	1.8
209.13293	1.6
211.14719	1.3
213.16307	3.7
215.14180	1.6
217.15784	2.0
223.14690	1.0
226.14304	0.9
229.15758	1.5
237.16318	1.5
239.17836	0.9
251.17938	1.1
285.21906	1.0
323.23572	6.4
367.26068	1.3
395.29324	8.0
403.29773	1.0
413.30334	100.0
414.30649	1.1
421.30804	5.1
439.31827	8.0
457.32767	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	457.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
53.45781	0.3
55.05494	0.3
56.96526	0.3
61.02907	0.4
67.05482	0.5
69.03399	2.3
71.04961	0.7
73.64134	0.3
79.00402	0.3
81.03363	1.2
81.07028	0.5
83.04937	0.3
85.02874	4.7
86.03243	0.4
87.04445	0.4
91.61848	0.3
93.06974	0.5
95.04994	0.4
97.02864	1.6
98.31254	0.3
98.97554	0.4
101.96403	0.3
105.06970	0.3
107.04935	0.3
107.08562	0.4
109.02840	0.4
109.10110	0.6
111.04179	0.5
111.52995	0.3
113.60625	0.3
115.03886	2.1
116.04175	0.4
116.98566	0.4
119.05003	0.3
123.06801	0.3
127.03876	0.8
127.11161	0.8
127.12712	0.3
133.10109	0.5
145.12239	0.5
146.05234	0.4
146.12579	0.4
149.09589	2.1
163.03799	0.6
191.14151	0.4
201.03606	2.3
203.05222	6.6
209.15265	0.6
237.02774	0.5
277.17648	9.6
277.20575	0.4
279.19193	13.0
355.13324	0.3
405.33536	0.3
457.23941	100.0
458.24304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.2
59.55091	0.2
69.03404	0.2
70.06564	18.6
86.62531	0.2
91.05444	1.6
92.08720	0.2
93.07007	4.9
95.04912	0.8
95.13125	0.1
97.02885	0.2
98.97564	0.3
103.05434	2.5
105.04481	0.3
105.25158	0.2
112.07570	19.9
116.07045	5.2
116.09061	0.2
121.06461	100.0
122.06808	0.4
131.93044	0.2
137.05887	0.2
138.09096	14.9
140.07022	2.7
158.08069	18.9
163.03836	1.0
182.54866	0.2
204.56549	0.2
237.02861	0.2
252.34494	0.2
257.29855	0.2
283.65598	0.2
320.13181	0.6
471.71317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01855	0.7
55.05480	0.2
56.96538	1.0
57.03410	1.2
58.76630	0.1
61.02882	0.7
62.39540	0.1
64.32608	0.2
65.03909	0.3
67.05483	0.4
69.03406	2.9
70.06564	18.8
71.04968	0.2
71.41839	0.1
73.02889	1.3
74.02427	0.2
81.03381	0.9
83.04950	1.7
84.04453	0.3
84.81777	0.2
85.02876	5.6
86.06036	0.3
87.04441	0.4
89.03881	0.8
91.03887	0.2
91.05462	2.6
92.09436	0.3
93.03397	0.3
93.07001	4.2
95.04929	1.1
97.02853	2.1
98.97543	3.6
99.04409	0.2
101.00822	0.4
103.05416	2.5
107.04932	0.4
109.02828	0.4
110.97562	0.2
111.04402	1.3
112.07566	19.8
114.05518	0.2
115.03864	0.3
116.07053	5.8
116.98578	2.5
117.03330	0.7
117.83949	0.2
119.01887	3.6
119.04906	1.0
120.01904	0.2
121.06459	100.0
121.54321	0.2
122.06815	0.8
123.04398	0.2
127.03869	1.9
128.02246	0.2
128.98592	0.4
129.03047	0.7
129.05449	0.4
131.00125	0.4
133.03412	0.3
134.99622	1.2
135.04387	1.7
136.06183	0.3
136.40150	0.2
137.02910	0.8
138.05476	0.2
138.09094	16.7
139.03870	1.0
140.07019	2.8
143.00131	0.7
143.01883	0.9
145.02626	0.3
145.03459	0.9
145.04910	1.1
146.03564	0.2
146.99561	0.4
147.04361	2.8
149.01157	0.7
155.02808	0.3
157.00873	0.4
157.03400	2.2
158.03633	0.3
158.08070	22.6
158.99609	0.9
159.03171	0.2
161.01187	1.1
161.02893	2.5
163.03828	6.3
164.04263	0.2
165.06898	0.3
167.02173	0.2
169.03360	0.3
170.99564	0.3
172.02371	0.2
173.01260	0.3
173.02911	0.8
175.04422	2.3
177.00671	1.1
178.01414	0.3
178.06960	0.3
179.02228	0.4
182.01955	0.2
185.02853	0.4
187.02696	0.2
187.04373	0.4
189.00603	0.7
189.04045	0.3
191.02184	0.3
191.03738	0.6
195.03317	0.2
197.02922	0.2
201.00722	0.2
203.03908	0.2
205.05504	1.0
214.03935	0.3
215.04015	0.2
219.01703	1.1
220.02779	0.2
221.03275	1.7
221.05870	1.1
222.06274	0.3
223.06497	2.7
224.06740	0.4
225.06326	0.8
228.07796	0.3
229.08357	0.2
232.04811	0.3
233.06029	0.2
237.02750	0.7
239.04266	2.7
239.06425	0.3
241.07584	1.8
244.07240	0.4
245.04944	0.9
249.03033	0.3
249.05463	0.8
250.05853	0.3
252.82138	0.2
257.05286	1.0
261.02621	0.3
265.02377	0.2
265.07681	3.0
266.07675	0.3
267.07047	0.3
269.07803	0.3
273.08063	0.4
277.04907	0.2
279.03610	0.3
281.07083	0.9
291.09079	1.0
293.06812	1.4
294.07254	0.3
295.05923	2.0
296.06311	0.9
297.07318	0.3
319.00760	0.2
319.08704	0.7
320.13129	0.6
320.69821	0.2
323.05328	1.1
324.05710	0.3
332.14258	0.2
361.09235	0.3
362.09628	0.3
366.09378	0.3
370.09076	0.4
379.10974	1.3
380.10861	0.3
397.11740	0.7
398.12152	0.3
440.90463	0.2
448.61063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85825	0.2
53.03939	1.1
55.01854	0.3
55.05256	0.3
55.05486	2.5
55.09660	0.2
57.03434	0.3
67.05480	2.6
69.03403	7.0
69.07047	2.8
71.04973	0.3
73.02898	0.3
73.25395	0.3
76.36221	0.2
78.87361	0.2
79.05458	6.0
81.03392	1.7
81.07027	7.3
83.04944	2.0
83.08586	0.4
85.02869	2.7
87.00808	1.8
91.05434	5.5
93.07014	3.9
95.04930	1.2
95.08580	1.8
97.02854	1.4
103.05447	0.3
105.01824	0.4
105.06998	8.1
107.04924	3.0
107.08559	21.2
109.02824	0.7
109.06489	4.6
109.10120	7.8
115.05411	1.5
116.98586	0.3
117.06992	1.7
117.10004	0.3
119.08506	3.0
121.02867	0.3
121.06463	1.6
121.10098	14.2
122.07249	6.2
123.08061	1.5
127.03883	2.1
129.06966	0.4
131.08498	3.2
133.10086	100.0
135.08008	9.5
135.11673	1.0
137.09570	57.0
143.08458	0.6
145.04886	0.3
145.10051	1.3
147.11633	1.6
149.09573	1.0
149.13214	10.0
158.10844	1.7
163.14734	1.6
173.13197	4.7
189.00655	0.3
191.14241	27.5
209.15372	2.8
340.25681	0.3
457.23938	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.8
54.28220	1.6
54.59226	1.8
55.05505	23.8
57.07077	2.1
67.05477	32.2
69.03396	2.7
69.07047	14.3
69.39453	1.8
71.04961	9.8
79.05472	18.0
81.07017	35.1
83.04946	5.2
83.08599	13.2
85.02867	3.2
85.06522	7.8
91.05443	31.1
92.09294	4.0
93.07009	55.9
95.04929	3.9
95.08574	51.8
97.02860	2.7
97.10135	2.7
99.08047	10.7
105.06999	59.8
107.08561	75.1
109.06478	3.8
109.10124	63.3
112.15578	2.2
112.87345	2.0
113.09583	3.4
114.35585	2.0
117.06978	15.4
119.08543	76.4
120.08797	2.5
121.10101	36.4
123.11662	3.7
128.06186	3.4
129.06987	9.0
130.07733	4.5
131.08524	36.9
133.10092	75.0
135.11671	12.9
141.06931	2.3
142.07733	8.2
143.08511	23.9
144.09294	9.3
145.10078	80.8
146.10603	2.6
147.11650	32.7
151.11169	3.8
156.09334	4.9
157.10091	35.0
158.10912	4.5
159.11624	68.3
161.13179	5.2
165.12704	4.7
170.10808	10.1
171.11615	31.7
172.12219	2.4
173.13208	35.0
175.11020	3.9
182.43945	2.4
183.11665	2.5
185.13176	38.8
186.13927	3.5
191.14325	2.7
197.13261	3.0
199.14766	21.6
201.16315	100.0
203.14262	2.6
241.19382	41.9
242.19975	2.0
259.20465	58.6
355.24530	2.3
456.31299	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01856	10.1
55.05494	0.6
57.03419	22.2
59.04979	6.7
59.82271	0.6
61.02901	16.0
67.05476	1.3
67.34570	0.6
69.03403	39.0
69.07040	1.0
71.01334	4.2
71.04974	1.4
73.02887	81.4
81.03384	10.5
81.07020	2.3
83.01323	0.7
83.04980	0.6
85.02876	100.0
87.04453	5.9
91.03932	4.5
91.05467	0.8
93.07036	2.4
95.04951	0.7
95.08578	3.9
97.02856	54.1
99.04411	4.6
101.02335	0.8
103.03909	3.3
105.06997	2.5
107.08575	1.5
109.02843	7.9
109.10139	1.2
115.03894	20.6
119.08565	3.7
121.10095	2.4
125.02356	0.6
127.03870	23.9
131.07080	0.6
131.08490	1.1
133.04918	20.4
133.10112	1.5
138.06105	0.7
145.04915	32.1
147.11685	1.1
150.07553	1.1
163.05954	13.8
173.13188	1.4
192.14603	0.7
193.04890	0.8
199.06119	0.7
208.14049	0.8
213.16351	0.9
222.48602	0.6
223.05948	3.1
241.06882	4.3
259.08081	3.9
295.10123	0.9
320.43787	0.7
431.12488	0.8
443.88544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.6
53.03922	1.7
54.80799	0.5
55.01854	2.2
57.03419	34.9
59.04965	0.8
61.02610	0.7
61.02905	15.0
65.88536	0.3
69.03402	39.0
71.01329	3.3
71.04955	1.3
73.02887	60.0
79.05479	0.5
81.03387	7.3
81.07040	0.5
85.02875	100.0
87.04433	4.1
91.03916	4.6
93.07017	0.9
95.08567	0.4
97.02853	53.9
99.04395	3.9
101.02328	0.8
103.03921	1.6
105.06995	1.3
107.08568	0.7
109.02843	8.4
115.03073	0.7
115.03888	20.7
119.08564	0.7
127.03870	22.8
131.08578	0.5
132.06502	0.9
133.04898	6.3
133.05818	0.4
144.06538	0.4
145.04918	27.9
145.72652	0.4
150.07623	2.0
162.07529	0.5
163.05952	12.6
180.08611	0.6
223.05899	1.9
232.39833	0.5
241.07065	2.3
242.61679	0.4
248.20831	0.4
259.08081	1.8
295.10220	2.0
307.21124	1.5
321.10580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48413	0.6
53.03922	4.7
55.01852	3.0
57.03412	7.7
61.02900	9.8
69.03401	36.1
70.06577	1.2
71.01329	1.0
71.04968	6.9
73.02885	11.2
81.03380	22.2
81.07005	1.6
83.01305	0.6
83.31493	0.7
85.02869	100.0
85.45845	0.8
87.04436	34.6
91.03905	4.2
91.33348	0.7
97.02857	32.4
99.04428	6.3
99.08050	1.0
101.02332	1.6
109.02840	13.6
109.10110	1.3
115.03886	92.6
117.09060	5.5
118.24960	0.8
127.03864	44.7
127.11143	3.7
133.04921	16.9
145.04910	36.3
145.12193	5.7
147.04382	0.8
151.03873	1.2
163.05978	6.2
187.06036	0.8
241.07013	1.4
257.29089	0.8
259.08038	9.9
277.09109	18.0
334.35892	0.7
403.15561	1.1
457.23184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63217	0.7
53.03935	0.7
55.05485	1.7
57.03423	18.5
59.04978	4.2
61.02895	1.4
67.05477	14.0
69.03030	1.7
69.03404	39.4
69.07043	10.6
70.06561	1.5
71.04970	8.5
73.02901	8.4
81.07021	5.4
83.08591	9.3
85.02876	30.1
85.06496	1.2
87.04440	20.3
91.05455	1.0
91.68474	0.8
92.08698	1.1
93.06991	1.0
93.47134	0.8
95.04910	1.1
95.08561	1.4
96.70956	0.9
97.02853	25.3
99.04413	1.1
105.06995	1.2
107.04906	1.4
109.06462	0.8
109.10121	100.0
115.03883	19.1
117.03320	0.8
119.04984	0.8
124.53879	1.1
127.03898	4.8
127.07512	1.7
127.11149	73.1
128.01726	0.9
130.52019	0.8
131.04884	1.3
132.05708	1.1
133.04907	14.2
137.05923	1.7
145.02798	3.2
145.04935	1.6
145.08539	4.0
145.12193	77.7
150.07576	1.9
153.05444	4.3
161.05844	1.6
163.03874	1.2
177.05389	2.1
192.07776	1.5
193.08441	1.0
211.99146	0.9
267.11090	1.0
336.68494	0.8
371.10611	1.0
457.16525	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55438	1.0
55.05497	15.3
57.07049	6.1
67.05477	26.4
69.07045	21.0
75.66070	1.2
79.05455	19.2
81.07029	54.8
83.08583	9.0
91.05435	14.2
92.09295	3.0
93.07010	33.4
95.04929	1.8
95.08566	90.6
97.06481	2.4
97.10125	6.0
105.06987	33.4
107.08557	57.1
109.06520	1.6
109.10114	51.6
111.08006	3.4
113.36047	1.4
117.06978	5.5
119.08535	100.0
120.03331	1.6
121.10096	42.6
123.08054	3.3
123.11645	26.3
131.08525	22.0
133.10086	39.1
135.11656	30.0
137.09529	1.6
137.13229	13.7
139.07460	1.6
141.27797	1.3
142.07707	1.6
143.08528	6.4
144.09378	1.6
145.10080	61.7
147.11633	28.6
149.13231	15.7
151.07512	2.1
155.08469	2.0
157.10062	11.1
159.08055	2.4
159.11626	36.0
161.13187	18.4
163.07501	13.5
163.14761	13.0
169.10025	3.1
170.10922	2.4
171.11610	11.6
173.09563	2.4
173.13193	22.1
175.14766	17.1
177.16316	5.6
179.14285	2.0
185.13223	10.3
187.14758	39.4
189.16278	18.0
191.14268	1.9
191.17877	35.3
199.14751	9.6
201.12691	1.5
201.16309	30.1
203.17911	15.3
211.14684	2.4
213.16330	8.9
215.14299	1.9
215.17949	7.0
217.19440	6.1
219.17407	1.8
227.17912	3.2
228.19576	2.6
229.15730	6.0
229.19363	6.6
233.15305	2.5
247.16837	8.5
259.16995	2.6
315.23169	1.7
386.72110	1.6
391.33517	11.0
409.34537	18.3
437.34161	35.1
455.35861	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	455.3512
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
51.73929	1.9
55.05490	22.3
57.07046	9.8
67.05482	38.6
67.21574	2.2
69.07033	25.5
79.05450	16.7
81.07029	60.9
83.08585	16.5
91.05436	21.9
93.07009	55.9
95.04906	2.9
95.08566	98.3
99.08006	3.0
102.71435	2.9
104.30005	2.4
105.06993	53.2
107.07980	2.5
107.08557	87.6
109.10129	83.6
117.06955	5.0
119.08538	100.0
120.08842	3.3
121.10101	47.0
123.08016	3.3
123.11659	24.2
131.08510	27.6
133.10074	45.6
135.11647	39.1
137.09589	2.4
137.13226	15.2
143.08521	5.8
145.10085	66.5
147.11644	32.0
148.16151	2.8
149.13235	23.0
157.10056	13.7
159.11659	46.3
159.20992	2.3
161.13210	29.5
163.07478	5.1
163.11208	2.8
163.14717	16.3
169.10075	4.5
171.11673	15.8
173.09566	3.5
173.13248	21.4
175.14714	17.2
177.16284	12.5
179.10614	2.5
183.11647	2.9
185.13211	10.2
187.14783	35.8
188.15155	4.7
189.16295	27.9
191.17920	31.8
197.13148	2.7
199.14777	12.3
201.16345	37.3
203.17894	13.8
205.19597	3.8
207.17337	3.0
211.14742	4.9
213.16275	13.8
215.17862	15.9
227.17783	3.0
229.15790	6.0
229.19402	4.5
231.17401	4.2
241.19550	3.2
247.16898	4.6
257.22440	3.0
261.18631	2.9
275.16238	2.6
321.21823	3.1
391.33401	14.0
409.34396	27.2
419.33188	2.8
437.34106	46.4
448.73944	2.9
455.35352	24.1
460.28369	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	455.3509
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
53.03919	0.7
55.05494	16.6
57.03403	1.0
57.07050	6.8
59.04991	0.7
59.39289	0.6
60.46729	0.7
67.05481	18.6
69.06676	0.9
69.07040	19.6
69.65962	0.7
70.37337	0.6
79.05453	13.4
81.07025	36.5
83.08591	12.2
89.03776	0.6
90.22244	0.7
91.05445	18.4
93.07011	41.4
95.04926	3.1
95.08570	74.6
97.06473	1.1
97.10125	3.5
99.08031	1.1
99.74038	0.7
105.06287	1.8
105.06994	49.3
107.08562	78.1
109.06472	2.6
109.10123	39.7
111.08045	5.2
111.11707	0.9
117.06970	6.9
119.08539	100.0
121.10097	39.7
123.08028	3.3
123.11662	14.6
125.09599	1.8
129.06976	1.6
131.08517	20.4
133.10086	76.0
135.07977	1.4
135.11644	35.3
137.09581	0.9
137.13229	3.8
139.07423	0.8
143.08488	5.2
144.09273	1.2
145.10074	34.0
147.11646	58.1
149.09595	0.8
149.13205	14.8
151.07532	1.2
151.11177	4.6
153.09070	4.7
155.08536	1.2
157.10121	7.4
159.10570	0.8
159.11635	38.2
160.12430	3.4
161.13199	38.2
163.07515	2.8
163.14764	17.2
165.09094	1.0
165.12698	3.5
169.10184	0.9
171.11617	7.2
172.12454	1.2
173.13213	23.4
174.13972	1.2
175.14760	19.3
177.09055	6.8
177.16345	8.7
179.10600	1.5
179.14188	5.0
183.11691	1.2
185.13202	6.0
187.11160	1.0
187.14738	18.7
188.15569	0.9
189.16316	63.8
191.10579	1.2
191.17902	9.1
193.12195	0.8
193.15872	1.2
197.13194	0.8
199.14755	6.8
201.16327	44.3
203.15994	1.4
203.17889	43.0
205.19473	0.9
207.17395	11.1
211.14742	1.3
213.16336	4.4
215.14586	0.9
215.17892	17.8
217.19357	4.3
219.17389	1.3
221.15379	1.1
221.18936	6.1
225.16299	1.6
227.17894	3.6
229.15819	2.8
229.19455	16.3
231.17461	1.3
231.20998	3.6
233.15396	1.5
235.16942	5.6
239.17894	0.8
241.19440	5.6
243.20981	8.4
247.16847	19.3
249.18500	1.1
255.20854	6.3
257.22546	1.4
261.18411	3.5
275.19955	3.3
287.20105	1.3
289.21686	1.4
295.23981	1.6
301.21542	1.7
315.23135	0.9
391.33459	6.5
409.34583	13.0
428.97983	0.9
437.33978	23.4
455.35239	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	455.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.1
53.28543	1.7
55.05498	19.3
55.59118	1.7
57.07051	4.0
67.05479	22.1
69.07049	29.7
79.05470	20.1
81.07030	56.8
83.04957	2.1
83.08580	13.6
91.05440	18.9
93.07008	50.2
95.04920	3.4
95.07952	2.9
95.08575	89.0
97.10106	5.4
99.08070	4.0
100.68628	2.1
105.07005	49.9
107.08568	85.9
109.06485	3.3
109.10127	44.8
117.06966	9.9
119.08546	100.0
121.06471	2.0
121.10113	62.5
123.08004	4.9
123.11645	22.3
123.59998	2.1
129.06950	3.2
131.08537	37.8
133.10085	62.5
135.08000	3.8
135.11644	42.8
137.09544	2.2
137.13199	11.5
143.08513	9.8
145.10085	68.3
147.11636	42.6
149.13194	18.6
157.10085	14.5
158.10666	3.0
159.11636	48.3
161.13191	34.9
163.14763	26.1
169.10048	9.1
171.11612	12.3
173.09482	2.3
173.13200	33.9
175.14819	21.8
177.16318	12.6
179.10551	2.4
179.14325	2.9
183.11571	5.1
185.13167	11.0
187.14748	52.5
189.08957	2.3
189.16342	34.4
191.17882	44.6
197.13260	3.8
199.14771	14.3
201.16331	76.4
201.18161	2.8
203.14555	2.2
203.17926	27.6
207.17343	2.6
211.14798	3.9
213.16371	14.9
215.17845	21.6
217.19453	4.9
219.17339	4.1
227.17950	3.5
229.19458	11.9
239.17776	2.9
247.16867	18.0
255.20862	3.9
261.18396	4.6
267.20950	2.5
326.98135	2.3
337.28775	3.2
391.33362	11.5
409.29773	3.0
409.34509	39.7
411.36072	2.6
437.34589	17.2
455.24057	36.8
455.34921	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	455.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50623	1.4
53.03913	1.8
55.05495	18.0
56.44438	1.5
57.07050	6.4
67.05481	21.3
69.07047	20.3
71.08601	2.2
71.73274	1.4
75.70196	1.5
79.05462	21.7
81.07027	60.7
83.08585	3.7
91.05447	15.4
92.09394	3.9
93.07013	51.0
95.04955	1.9
95.08572	100.0
97.10118	2.7
98.10732	1.6
105.06999	52.6
107.08563	78.2
108.51897	1.4
109.06480	3.5
109.10117	43.6
111.08040	59.3
117.06920	2.2
119.08543	78.1
121.10110	56.5
123.11685	17.0
125.09612	1.9
131.08522	15.7
133.10092	61.2
135.11644	30.9
137.13220	3.6
139.11172	12.3
143.08514	7.0
145.10066	35.7
147.11650	49.5
149.13219	27.6
151.11163	3.3
153.09062	2.8
157.10057	7.0
159.11649	24.5
161.13210	30.1
163.14752	39.0
171.11642	6.5
173.13202	21.9
175.14738	26.1
177.09026	1.9
177.16356	18.9
179.10684	2.0
185.13228	2.3
187.14758	19.8
189.16335	62.7
191.17876	12.3
199.14737	2.9
201.16330	38.2
203.17902	44.1
205.15778	1.8
207.17400	11.8
213.16304	7.9
215.17905	27.6
217.19481	2.5
219.17374	8.8
221.18906	10.7
227.17796	2.0
229.19315	3.4
235.17000	2.2
241.19504	3.8
243.21045	8.4
247.16795	8.0
249.18422	3.3
255.21068	2.5
261.18387	3.4
309.43497	1.7
391.33423	6.4
409.34637	26.7
419.32877	2.4
425.33841	8.0
437.34009	28.6
455.35126	14.4
464.63321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
54.89118	1.1
55.05491	17.6
56.12695	1.1
57.07044	6.5
67.05471	23.1
69.07044	28.2
71.04948	1.4
79.05463	20.3
81.07024	49.4
83.08591	15.1
85.06527	1.3
91.05437	21.9
93.07001	51.1
95.04921	1.8
95.08566	100.0
97.06488	1.9
97.10132	5.7
105.06994	39.2
107.08558	77.7
109.10126	47.6
109.10857	2.2
109.61212	1.5
111.08030	11.0
111.11670	2.0
117.06985	7.7
119.08537	77.1
121.10094	48.4
123.07983	2.7
123.11638	17.6
125.09545	2.2
129.07013	2.1
131.08514	21.8
133.10085	64.9
133.18073	1.4
135.11641	36.4
137.13203	9.4
139.11143	8.9
143.08543	7.6
145.10077	35.9
147.11641	55.0
149.13210	23.8
151.11061	1.7
153.09084	2.0
155.08661	2.1
157.10106	8.7
159.11652	33.0
161.13200	31.1
163.07492	2.8
163.14758	19.6
169.10130	2.2
171.11592	15.3
173.13176	15.3
174.13818	1.5
175.14795	18.1
177.09073	7.2
177.16356	18.1
179.10571	1.6
179.14302	2.7
183.11574	1.9
185.13203	9.5
187.14742	18.9
189.16319	56.3
191.17877	9.9
195.17386	6.8
197.13188	1.9
199.14789	8.0
201.16310	38.3
203.17905	45.6
205.15753	2.0
207.17453	11.4
211.14754	2.4
213.16341	10.9
215.17888	19.1
217.19440	1.7
219.17400	3.3
221.19124	5.3
227.17894	6.6
229.19426	10.0
235.16960	5.6
239.17847	2.9
241.19382	5.5
243.21034	7.4
247.16827	18.5
255.20927	2.9
259.16861	2.7
261.18420	3.3
269.22543	2.3
289.21652	2.6
336.82761	1.6
391.33554	10.7
409.34564	16.2
437.28650	1.8
437.34070	28.8
455.35782	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	455.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54372	0.8
54.80954	0.8
55.05490	7.7
55.95791	0.7
57.07049	1.2
57.23409	0.8
58.16022	0.7
59.25906	0.7
59.47546	0.8
59.64335	0.7
61.02889	1.1
61.90242	0.8
67.05484	11.1
69.07043	13.4
71.04964	0.8
79.05453	11.6
81.07027	21.8
83.08595	7.6
85.02868	3.7
85.32523	0.9
90.25249	0.8
91.05446	7.2
92.09320	3.8
93.07009	20.2
95.04922	1.4
95.08569	50.2
97.10134	1.6
97.49100	0.9
102.16784	0.9
105.06989	17.1
107.08558	56.3
109.10114	24.0
113.05959	3.6
117.06979	2.2
119.08540	33.6
121.10095	44.5
123.11639	8.3
129.06981	1.1
131.08524	10.2
133.10080	31.7
135.07973	1.6
135.11644	21.4
137.13196	1.9
143.08527	2.1
145.10072	21.3
147.11624	17.4
149.09573	1.6
149.13206	11.5
157.10069	4.9
159.11649	10.4
161.11835	1.2
161.13206	11.6
163.11108	27.0
163.14771	6.2
169.10040	1.1
171.11627	1.4
173.13234	6.2
175.14752	29.4
177.16328	38.6
179.14233	1.3
185.13168	1.2
187.08165	1.4
187.14749	20.2
189.16331	18.0
191.17928	4.8
193.15688	1.0
199.14763	1.1
201.16299	6.1
203.17870	28.8
205.15808	100.0
205.19504	3.9
207.17511	3.3
213.16315	2.1
215.17868	9.9
217.15862	1.3
219.17303	3.6
225.16371	1.3
227.17894	1.2
231.17386	3.6
241.19496	1.1
243.21007	1.4
249.18422	5.0
251.11166	1.5
261.18454	2.2
269.12207	10.4
285.25519	1.5
288.01895	1.0
295.24130	6.0
305.12756	0.9
313.25143	10.4
315.46722	0.9
328.16162	0.9
391.33514	1.5
394.03574	1.0
402.48819	0.9
409.34521	35.2
437.33856	5.9
455.34955	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	455.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	16.1
57.07061	3.5
67.05483	20.5
68.36311	2.3
69.07047	24.1
79.05473	16.4
81.07030	44.1
83.08587	13.4
91.05446	22.0
93.07010	49.7
95.08572	76.1
97.10164	2.1
99.08063	19.0
105.07001	56.4
107.08562	76.0
107.09224	3.8
109.06493	3.1
109.10130	39.8
111.08081	2.3
115.05278	1.9
117.06992	8.5
119.08540	100.0
121.10104	55.2
123.08038	3.7
123.11662	19.2
123.12457	2.0
129.06975	8.0
131.08519	48.2
133.10091	60.4
135.11647	47.6
135.90138	2.2
136.71724	1.9
137.13225	11.7
143.08546	3.9
144.09332	2.3
145.10091	55.2
145.11215	2.5
147.11639	59.8
149.05966	1.9
149.09599	2.1
149.13251	20.5
156.24559	2.3
157.10138	14.9
159.11633	46.1
161.09628	2.9
161.13216	22.1
163.14806	12.1
169.10117	2.6
171.11621	4.8
173.13202	31.0
175.14731	21.9
177.16307	8.0
185.13185	4.4
187.14754	37.8
189.16328	25.7
191.17886	74.5
197.13159	3.0
199.14774	8.9
201.16322	84.4
203.17871	19.3
213.16327	4.7
215.17899	9.6
217.19435	13.7
219.17366	7.8
229.19423	4.0
231.21005	3.5
239.99718	2.2
244.70001	2.1
378.25397	2.3
409.34561	37.8
437.33856	11.6
452.38901	2.3
455.35956	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	455.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	15.2
55.10541	2.0
57.07044	6.6
59.73693	2.4
61.37551	2.6
67.05473	18.0
69.07040	24.8
73.69343	2.4
79.05458	16.9
81.07028	41.5
82.19565	2.3
83.08597	11.5
85.14588	2.7
91.05431	12.8
91.41759	2.3
92.08762	3.8
92.54594	2.6
93.07000	42.4
95.08571	81.5
97.06515	2.7
97.10144	5.2
105.07003	34.7
107.08566	72.6
109.10123	41.7
111.08022	3.0
117.06995	3.1
119.08535	63.0
121.10111	63.9
123.08044	2.5
123.11672	14.7
131.08524	17.0
133.10098	56.3
135.11632	34.3
137.13261	3.6
143.08537	6.1
144.52145	2.7
145.10083	32.8
147.11642	44.7
149.13191	30.9
157.10075	5.5
159.11610	20.2
161.13181	22.6
163.11099	21.4
163.14787	19.1
171.11621	4.6
173.13203	15.1
175.14781	28.6
177.16348	42.7
183.11760	3.9
184.08835	2.7
185.13191	4.0
187.14818	29.2
189.16309	41.3
191.17923	5.5
197.13235	3.0
199.14745	5.9
201.16322	15.1
203.17897	100.0
205.15802	58.3
213.16399	4.7
215.17845	13.1
229.19394	4.1
239.17822	2.9
249.18309	5.5
272.03036	2.9
349.20523	2.8
391.33643	4.3
409.34531	93.6
437.34140	10.8
455.30563	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	455.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75011	1.6
52.24015	1.9
52.54989	1.8
55.05499	18.1
57.07051	4.6
67.05473	10.1
69.07043	20.8
71.08604	2.1
72.12438	2.1
75.45729	1.9
77.35532	2.0
79.05456	17.9
81.07023	45.3
83.08607	16.4
91.05440	20.5
93.07002	44.9
95.08562	83.1
97.10151	3.3
105.06996	54.4
107.08552	91.2
109.10106	40.6
111.08034	3.4
117.06960	3.2
119.08531	98.0
121.10091	59.8
123.11600	15.7
129.06906	2.7
131.08527	23.2
133.09082	4.4
133.10074	100.0
135.11630	42.3
137.13217	5.2
143.08479	3.6
145.10057	40.7
147.11641	66.9
149.13249	22.8
151.07463	2.4
151.11154	3.4
153.09047	4.9
157.10109	13.0
159.11635	37.5
161.13199	37.1
163.07468	3.4
163.14732	22.3
165.12643	2.7
171.11566	5.0
173.13203	24.3
175.14738	25.1
177.01019	2.4
177.09044	13.3
177.16331	12.7
179.14272	10.8
183.11559	2.7
185.13225	8.9
187.14728	20.6
189.16293	58.0
191.17923	8.6
199.14696	4.3
201.16310	52.3
203.17896	65.1
207.17381	15.0
211.14653	2.4
213.16304	4.7
215.17845	20.2
217.19394	2.4
219.13684	3.0
219.17285	3.5
221.18849	7.2
225.16269	2.4
227.17798	4.7
229.15912	2.4
229.19374	15.9
235.16840	9.0
241.19409	2.9
243.21010	5.3
247.16743	31.1
249.18372	2.9
255.20958	2.9
275.19980	3.9
311.33182	2.4
327.84384	2.4
381.14407	2.7
388.14172	2.5
391.33447	9.2
409.34479	17.5
437.33972	39.9
455.35355	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	455.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45211	1.2
55.05498	14.1
57.07055	7.8
59.04983	1.9
67.05482	20.1
67.28022	1.2
69.03394	3.1
69.07047	22.3
79.05467	13.5
81.07030	35.8
83.04965	1.5
83.08604	11.4
90.43215	1.4
91.05456	21.3
93.07010	36.7
95.04949	1.6
95.08573	72.6
97.06464	5.9
97.10132	3.0
105.07001	46.6
107.08562	65.0
109.06493	2.6
109.10113	37.9
111.08063	1.8
117.06976	7.9
119.08546	100.0
121.10114	53.1
123.08039	6.2
123.11649	13.8
125.05968	1.7
125.09623	1.7
129.06917	3.1
131.08498	25.2
133.10086	65.5
135.08015	3.4
135.11662	29.4
137.09642	1.8
137.13217	5.9
142.07767	1.9
143.08522	12.4
145.10088	38.1
147.08018	2.7
147.11642	53.2
149.09598	1.8
149.13200	16.1
151.11093	2.5
153.09048	1.9
157.10089	9.7
159.11635	32.3
161.09583	2.6
161.13214	34.8
163.11189	2.6
163.14771	14.4
165.12794	1.8
169.09976	3.1
171.11659	13.0
173.13211	30.2
175.11151	1.6
175.14764	33.7
177.12726	2.7
177.16368	11.2
179.14218	5.8
181.10100	1.8
181.12009	1.9
183.11617	6.2
185.13171	12.2
187.11212	1.8
187.14763	20.4
189.16324	50.3
191.14392	1.7
191.17918	8.6
195.11574	2.0
197.13185	3.2
199.14792	11.3
201.12701	3.4
201.16313	45.7
203.14087	2.0
203.17885	35.3
207.17320	3.7
211.14926	1.7
213.12782	2.0
213.16330	7.0
215.10654	1.8
215.17867	19.7
217.19447	6.8
219.13815	2.3
219.17342	2.4
221.15254	2.0
221.18929	2.3
225.16335	2.3
227.17815	3.2
229.19435	20.5
231.21062	3.4
233.15358	1.9
235.16878	6.2
239.17812	2.2
241.19456	5.8
243.21028	5.6
247.16867	7.0
247.20549	1.6
253.19533	1.8
255.20998	8.1
261.18402	2.5
269.19089	1.9
269.22617	3.7
275.20096	2.1
301.21490	1.9
363.75946	1.5
391.33350	9.0
409.34561	14.6
437.29636	9.4
437.33978	26.0
455.23898	6.8
455.30441	8.3
455.35016	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	455.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81414	1.6
55.05494	12.4
57.07050	8.2
62.06070	2.6
63.58504	1.5
67.05486	21.8
69.07040	23.8
71.04958	2.1
71.08607	1.7
76.24210	1.5
79.05453	21.2
79.73199	1.7
81.07024	39.8
83.04949	2.7
83.08588	10.7
85.06512	1.8
85.10098	2.0
91.05435	19.5
92.55533	1.5
93.07004	34.7
95.04922	7.0
95.07961	2.8
95.08566	75.0
97.06508	2.2
104.73344	1.9
105.06992	47.5
107.08552	51.8
109.06449	3.8
109.10110	33.9
113.05975	2.8
113.09618	2.2
115.05447	2.0
115.07529	2.1
117.06961	13.7
119.08533	64.2
121.10088	35.9
123.07986	2.7
123.10864	2.0
123.11658	15.1
127.07513	2.6
129.06934	7.0
130.07703	2.0
131.08516	43.7
133.06430	1.7
133.10077	39.1
135.08018	2.0
135.11635	19.3
137.09576	1.9
137.13193	3.5
143.07014	1.8
143.08475	14.3
145.10069	100.0
147.11621	19.9
148.31488	1.7
149.13217	10.4
154.45296	1.9
156.09315	2.6
157.10078	18.8
158.10895	8.2
159.10347	3.3
159.11618	51.4
161.09599	1.8
161.13199	16.0
163.14754	6.9
165.09018	3.0
169.10023	3.1
170.10844	2.2
171.10258	1.6
171.11603	14.0
172.12386	3.4
173.13187	43.2
175.14764	11.9
177.12691	2.5
177.16306	10.6
179.10583	1.7
183.11601	6.0
185.13135	16.4
187.14743	92.8
189.16321	13.2
197.62573	1.7
199.14781	10.5
201.16295	48.3
203.17821	6.4
213.16283	7.2
215.17914	2.3
227.17857	8.5
229.19449	4.1
253.17908	11.0
254.95839	1.6
255.20988	2.9
265.17770	8.4
269.22348	2.0
314.27423	9.0
316.78323	1.7
455.35358	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85729	1.8
55.05495	16.8
57.07059	4.4
59.04967	2.3
64.35909	2.0
67.05469	14.3
69.07046	22.3
79.05466	27.0
81.07024	42.0
83.04935	9.2
83.08572	3.8
85.06499	9.0
91.05441	43.6
91.60670	1.8
93.07010	63.0
95.04922	2.9
95.08572	49.1
97.06474	2.6
97.10108	2.5
99.08035	10.8
105.06996	71.4
107.08557	100.0
109.06468	7.6
109.10121	20.3
111.08036	2.8
117.06966	19.1
119.07735	3.8
119.08538	83.1
121.10092	39.2
123.08041	2.1
123.11655	7.8
129.06970	11.4
130.07744	2.3
131.08533	64.1
133.10089	58.6
135.08000	15.9
135.11652	18.3
141.06897	2.4
142.07755	8.5
143.08519	26.1
144.09308	3.1
145.06380	3.7
145.10077	46.8
147.08022	3.0
147.11644	36.3
149.09602	8.0
149.13194	8.0
151.07500	2.6
155.08514	12.2
156.06514	2.5
156.09314	8.7
157.10059	35.8
158.10727	2.7
159.07959	9.0
159.11627	40.1
161.09564	7.5
161.11937	2.0
161.13156	21.6
163.11148	8.0
163.14737	11.6
167.08481	2.8
168.09169	2.3
169.10104	16.0
171.11621	28.4
173.09549	2.6
173.13179	36.3
175.11093	8.2
175.14760	9.8
177.12631	2.9
177.16252	3.1
179.10544	3.4
180.09479	2.5
181.10069	9.7
183.11580	16.8
184.12436	2.5
185.13235	19.1
187.14729	24.0
189.12766	2.5
189.16307	11.0
195.11665	8.9
197.13185	20.6
199.11218	7.5
199.14734	23.3
201.12637	4.0
201.16318	12.0
203.14227	4.7
203.17929	5.1
206.10849	2.2
207.11572	2.2
209.13124	4.0
211.14903	5.0
213.16260	11.0
215.14105	4.2
215.17818	4.3
217.12114	2.4
219.11690	2.7
221.13196	2.5
223.14703	7.8
225.16365	7.8
229.15720	4.0
231.13585	3.4
239.17857	5.1
241.15858	2.8
243.17300	3.2
249.16475	4.1
253.19518	2.5
261.18466	2.3
267.17236	8.0
273.15988	2.1
278.66122	2.1
279.17337	4.6
290.84348	2.0
295.20358	2.5
297.18375	4.4
297.21707	2.4
315.19644	3.2
335.23453	9.1
347.23694	2.7
365.24878	15.1
383.25565	41.6
389.28369	2.7
407.29306	20.5
409.34354	7.9
419.29361	10.9
425.30457	8.2
437.29767	21.7
455.31161	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	455.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.5
54.23211	1.8
54.81290	1.8
55.05497	16.5
57.07055	4.8
64.47007	1.9
67.05474	18.7
69.07045	23.3
71.04956	2.8
79.05459	23.1
81.07018	40.9
83.04945	4.3
83.08597	5.2
85.06538	3.7
91.05436	37.8
93.07009	71.3
95.04921	2.8
95.08561	48.4
97.06490	4.2
99.08041	12.2
105.06987	74.2
107.08559	100.0
109.06476	4.5
109.10118	27.4
117.06995	15.3
119.08531	79.9
121.10096	43.4
123.08034	4.2
123.11679	13.7
128.06169	4.1
129.06940	10.5
131.08524	46.4
133.10088	62.4
135.08018	11.9
135.11638	25.3
137.09537	2.6
142.07773	9.6
143.08501	24.8
144.09259	3.2
145.06465	2.2
145.10075	57.2
147.08000	2.6
147.11650	33.9
149.09579	3.8
149.13242	12.4
155.08508	10.5
156.09299	5.1
157.10063	30.8
158.10696	2.7
159.08002	4.5
159.11633	42.5
161.09564	12.6
161.13168	21.5
163.11095	3.1
163.14725	15.8
165.06870	2.4
167.08578	2.6
169.10062	15.1
170.10793	2.3
171.11612	26.3
173.09607	3.6
173.13161	28.5
175.11058	2.9
175.14760	14.2
177.16327	3.9
179.14307	3.9
181.10060	7.8
183.11592	15.7
185.13155	18.4
187.14755	31.0
189.12761	4.1
189.16278	18.8
191.17964	2.5
193.10078	3.3
195.11615	9.4
197.13164	18.6
199.11099	10.4
199.14777	13.5
199.74280	2.1
201.16333	13.8
203.14214	4.1
203.17932	12.4
205.15895	3.4
207.11597	4.0
207.17404	3.3
209.13266	8.4
211.14778	10.7
213.12833	3.5
213.16345	11.2
215.14119	2.4
215.17830	16.2
217.15776	3.5
221.13165	3.7
225.16286	3.4
229.16078	2.4
229.19438	9.5
231.13747	4.2
233.13126	2.3
239.17868	4.2
241.19234	5.7
243.20856	2.6
247.14699	2.8
247.16948	3.1
249.16383	3.2
253.19379	2.5
261.18539	3.7
265.19385	2.8
267.17380	3.0
279.17340	2.2
285.18408	2.8
287.20004	2.2
295.24399	2.2
297.18451	12.8
319.24063	3.1
335.23535	8.3
343.32059	2.1
365.24628	10.5
383.25668	42.6
389.28079	3.2
391.33310	4.2
407.29575	15.3
409.34515	11.1
419.28949	4.5
425.30273	9.5
437.30029	15.1
437.34280	13.8
455.30902	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	455.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	37.9
57.03410	36.4
67.05476	42.7
69.03391	23.8
69.07030	23.3
71.04972	19.2
73.02891	5.5
75.04443	6.9
75.90301	3.8
79.05447	42.8
81.03390	8.4
81.07033	61.5
82.90566	4.2
83.04948	34.5
83.08578	6.6
85.02866	28.5
85.06523	9.0
91.05431	43.7
93.07004	85.0
94.02934	4.7
95.04967	7.0
95.08578	66.0
97.02836	8.6
97.06488	20.9
105.06989	65.9
107.08556	59.8
109.06503	19.2
109.10117	62.1
111.08052	24.9
117.06968	8.2
119.08536	92.9
119.31483	5.1
121.06435	26.6
121.10095	77.8
122.07253	5.5
123.08007	10.9
123.11591	4.6
125.09575	8.7
127.07490	6.0
131.08514	33.5
133.06415	5.0
133.10081	88.2
135.07996	25.1
135.11627	9.2
137.09564	100.0
143.08531	6.5
145.10054	42.9
147.07999	9.3
147.11629	27.7
149.08556	4.6
149.09521	34.7
151.11130	19.3
155.10594	75.9
157.10066	17.6
159.08061	6.9
159.11632	25.0
161.09589	23.3
161.13187	9.8
163.11150	6.5
171.11676	6.6
173.09508	7.0
173.13260	33.8
175.10889	5.2
175.14757	10.6
191.14317	6.5
197.13162	4.7
201.12733	17.6
203.14233	7.0
205.15857	9.8
215.18030	5.3
246.82861	4.8
257.18796	11.0
272.63287	4.4
275.19974	69.7
293.20987	83.2
455.20135	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09581	1.4
53.03922	2.6
55.01849	4.4
55.05498	22.1
57.03422	17.2
57.07045	3.1
61.02917	1.7
67.05479	23.2
67.24003	1.8
69.03403	22.4
69.07036	20.8
71.04582	1.5
71.04963	14.3
75.04432	4.0
79.05464	26.1
81.03383	2.7
81.07021	39.8
83.04955	30.2
83.08586	15.3
85.02875	38.2
85.06514	12.7
91.05453	25.2
92.23116	1.9
93.07006	71.4
95.04921	9.5
95.08572	52.6
97.02844	4.4
97.05905	3.7
97.06493	70.3
97.10117	2.5
105.06989	51.8
107.04905	9.1
107.08555	62.8
109.06483	29.8
109.10122	49.6
111.08042	24.4
113.09609	7.9
117.06954	3.3
119.08533	71.3
121.06449	19.1
121.10093	55.8
122.07243	9.0
123.08003	14.0
123.11662	7.3
125.09571	11.4
126.86767	1.8
127.07482	7.8
127.42931	2.0
129.06880	1.7
129.09088	2.2
129.70111	1.6
130.07750	2.4
131.08524	29.2
133.06470	2.1
133.10085	79.8
135.07996	22.0
135.11655	16.1
137.09570	100.0
139.11096	4.5
142.07712	2.8
143.08492	11.8
145.06429	2.8
145.10068	29.5
147.07973	7.9
147.11661	20.1
149.09563	27.1
149.13196	2.9
151.11136	10.0
155.10590	35.7
157.10040	14.8
158.10806	2.2
159.08040	7.2
159.11642	27.7
161.09552	23.3
161.13200	7.7
163.11113	13.1
165.12740	3.8
170.10823	2.3
171.11615	10.8
172.12413	1.9
173.09514	2.4
173.13205	30.2
173.95393	2.1
175.11082	10.7
175.14749	14.9
177.12714	2.2
183.11583	8.5
184.12378	2.1
185.13144	3.0
187.14780	4.0
189.12657	4.1
189.16316	2.3
191.14185	3.9
199.14758	15.9
201.12679	11.7
203.14230	9.0
205.15839	4.2
215.17969	6.4
217.15707	10.9
219.13701	2.9
233.18990	2.6
235.16806	2.2
239.17867	4.3
257.18896	23.9
263.19952	2.1
275.19946	87.1
293.21002	64.3
305.20654	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05497	28.4
57.03415	15.6
57.07058	4.9
59.30450	1.9
59.71994	1.7
67.05482	21.0
69.03403	21.8
69.07041	16.3
71.04963	5.2
79.05466	27.1
81.03386	21.0
81.07018	49.0
83.04950	28.1
83.08577	5.3
85.02876	30.0
85.06529	20.3
91.05445	33.6
93.07007	61.4
95.04935	15.1
95.08571	48.9
97.02842	9.5
97.06490	5.6
97.10151	3.8
98.97533	3.1
99.04441	2.5
105.06990	43.2
107.04926	4.9
107.08562	48.2
109.02833	13.6
109.06490	14.5
109.10131	23.6
109.10787	2.3
111.08056	12.3
113.09606	11.5
117.06989	15.7
119.08540	49.7
121.06455	10.8
121.10107	39.4
123.08028	18.1
123.11673	4.9
125.09608	4.7
127.03841	3.3
129.06958	3.6
130.07747	2.3
131.08530	36.5
133.10098	47.4
135.08043	19.1
135.11664	24.9
137.09560	52.4
143.08505	5.0
144.09343	4.7
145.10104	32.5
147.08022	5.7
147.11646	20.7
149.09586	10.7
151.11133	3.3
155.08463	2.9
156.09251	3.3
157.10101	14.7
158.10864	3.4
159.08054	4.4
159.11650	23.1
161.09552	10.0
161.13155	5.3
163.03935	2.8
163.11125	22.5
165.09047	16.5
169.10132	2.6
171.11589	4.9
173.09576	2.6
173.13196	37.8
175.11137	5.9
175.14734	12.9
177.12675	5.1
183.11624	4.7
187.14755	5.2
189.12715	3.0
191.14244	5.5
199.14796	13.8
201.12706	10.4
203.17911	2.9
205.15833	3.1
215.14293	2.8
215.17886	3.0
217.15736	14.0
219.13724	3.3
219.32330	2.8
231.17734	2.7
239.17801	3.0
257.18942	22.4
263.19952	4.1
275.19983	100.0
293.21063	22.8
381.67511	2.7
411.19601	4.4
455.18835	17.7
455.31204	3.3
478.21927	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.3
55.01113	1.4
55.01864	1.8
55.05491	26.2
57.03415	3.8
57.07047	6.7
59.04984	1.6
61.02894	4.1
61.39516	1.4
67.05480	35.1
69.03392	25.8
69.07036	23.5
71.04961	13.6
75.23208	1.6
79.05460	28.6
81.03380	3.9
81.07021	76.7
83.04939	2.2
83.08598	6.3
85.02882	22.0
85.06513	22.4
91.05447	24.6
93.06998	67.4
94.07821	1.7
94.27962	1.8
95.01227	1.8
95.04929	13.0
95.08569	65.0
96.51456	1.5
97.02842	3.7
97.06496	9.4
97.10112	3.3
98.97518	2.0
99.04409	6.2
99.08048	1.6
100.83488	1.5
103.05454	2.3
105.06996	57.5
107.04904	2.7
107.08558	100.0
108.05677	2.4
109.06484	22.1
109.10122	36.1
111.08063	9.9
113.09603	7.6
117.07018	13.1
119.08533	80.7
121.06454	28.2
121.10098	58.9
123.08023	75.2
123.11656	18.6
125.09594	9.4
129.06947	7.2
130.07741	2.7
131.08533	33.4
133.06403	2.6
133.10077	51.5
135.08005	84.1
135.11609	19.4
137.09569	56.9
139.11166	3.4
140.37331	1.8
142.07727	4.0
143.08507	12.1
145.10065	41.7
147.07999	14.7
147.11627	24.4
149.09567	34.5
149.13150	2.2
153.09090	10.6
155.08466	2.7
156.09273	3.4
157.10063	19.9
158.10876	4.2
159.08018	12.0
159.11636	35.3
161.09570	14.3
161.13181	13.7
163.11111	19.8
165.09050	54.3
167.10605	3.5
169.10109	4.1
170.10822	1.8
171.11630	11.0
173.09532	7.4
173.13193	31.7
175.11111	14.3
175.14740	14.6
176.15172	1.7
179.10574	2.9
183.11665	3.7
185.13174	6.5
187.11137	8.2
187.14758	18.7
189.12764	3.0
189.16362	3.1
197.13184	2.3
199.14775	8.3
201.12704	9.4
203.14291	1.9
215.14365	5.4
215.17842	9.5
217.15829	6.4
229.19507	3.8
233.15320	3.6
233.18919	13.3
239.17709	2.4
245.18925	3.6
257.18835	23.4
263.19971	23.4
275.19931	66.9
275.22931	2.5
293.09723	1.7
293.17548	2.4
293.20956	66.5
455.22488	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18489	1.7
55.01855	3.2
55.05497	36.1
57.03422	4.9
57.07052	3.5
59.04958	3.7
61.02896	3.8
64.32618	1.8
67.05479	39.3
69.03407	33.6
69.07036	22.8
71.04956	15.2
79.05467	28.3
81.03374	3.1
81.07026	67.4
83.04961	7.6
83.08594	12.0
85.02876	36.6
85.06506	15.7
91.05454	29.5
92.08762	2.5
93.06436	3.1
93.07008	77.8
95.04932	11.1
95.08570	60.9
95.30132	2.2
97.02859	9.2
97.06499	8.6
97.14511	2.2
99.04414	2.6
101.30217	1.9
105.06992	59.3
107.04926	4.5
107.08559	100.0
109.02851	2.7
109.06498	18.8
109.10132	32.5
109.23150	1.9
111.08064	4.0
113.09615	12.2
117.06964	9.9
119.04932	3.5
119.08545	86.2
121.06464	26.6
121.10088	63.5
123.08026	72.1
123.11678	16.7
125.09598	11.4
130.07745	2.1
131.08530	35.1
132.05553	2.1
133.10091	47.1
135.08009	78.6
135.08990	3.8
135.11635	15.7
137.09569	30.1
142.07811	2.9
143.08488	15.6
145.06471	2.8
145.10085	46.1
147.06972	2.5
147.08029	12.3
147.11633	23.3
148.04686	2.5
149.09573	36.2
149.13239	2.9
151.11182	2.5
157.10089	19.2
158.10870	2.5
159.08037	10.7
159.11630	37.2
161.09554	18.4
161.13197	13.6
163.11108	27.4
165.09065	56.2
167.10596	4.7
169.10097	3.0
171.11620	11.6
173.09592	11.1
173.13173	30.9
173.16385	2.2
175.11139	11.9
175.14764	14.7
177.12686	2.3
183.11615	3.2
185.13164	5.0
187.11131	4.1
187.14786	11.6
189.12733	3.9
197.13127	4.9
199.14734	9.5
201.12660	4.7
203.14241	3.9
205.12238	2.9
215.14314	4.1
215.17879	10.4
217.15714	2.5
219.13521	2.7
227.17809	2.3
230.27550	2.0
233.15297	7.9
233.18924	17.2
235.16724	3.0
239.17859	2.2
245.18919	3.5
257.18811	19.8
258.08575	2.4
263.20001	26.1
275.19949	90.1
293.21008	98.9
368.58243	2.3
455.20203	90.3
456.20282	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	455.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08404	0.5
55.05487	1.5
56.96551	0.7
57.03402	1.2
60.52039	0.6
61.02888	0.8
63.67841	0.6
67.05474	4.2
67.76384	0.6
69.03390	4.2
69.07019	1.1
71.04947	1.6
73.02872	1.2
79.05449	2.8
79.30455	0.6
81.03395	0.9
81.07014	4.0
83.04895	0.7
85.02860	4.2
91.05437	1.4
93.07014	6.1
95.04927	2.8
95.08569	4.2
97.02863	1.4
97.06459	1.5
99.04446	0.8
104.15648	0.7
105.06968	3.5
105.96077	0.7
107.04906	0.8
107.08567	8.1
109.02846	0.9
109.06474	4.2
109.10118	7.8
117.03308	1.5
117.06985	1.2
119.08528	6.0
121.10073	3.0
123.08031	1.5
131.08496	1.5
133.10056	1.4
135.08003	1.4
137.08522	1.4
137.09570	36.3
145.02835	4.9
145.10037	1.0
147.04311	1.0
149.09555	0.7
159.11633	1.5
163.03813	0.8
171.11745	0.8
173.13142	1.1
174.29025	0.7
177.05386	5.1
201.97000	0.7
275.19928	3.2
293.17093	10.2
293.20663	1.9
298.74307	0.8
306.11026	0.7
323.76355	0.9
376.02823	0.8
454.33725	0.9
455.20224	100.0
456.20163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	100.0
68.23032	1.7
70.06557	4.3
76.97625	1.9
82.13676	1.8
84.96008	2.6
85.83448	1.8
86.12926	1.6
88.84531	1.7
91.05456	7.7
94.88811	1.7
97.02838	2.4
98.97545	28.2
105.11298	1.8
112.07505	2.5
112.99120	2.9
116.98569	23.3
119.04890	14.7
123.01154	1.9
124.99081	9.7
127.00683	2.2
128.98567	2.5
131.00111	6.5
134.99605	19.2
136.06143	13.7
136.08656	2.4
139.00623	8.1
141.02208	8.7
143.00131	51.3
145.01740	4.1
146.99643	2.8
147.04387	42.6
149.01190	9.7
151.00606	3.9
153.00693	2.6
157.01685	12.6
159.03244	26.6
161.01169	67.9
165.65643	1.7
167.00070	3.1
169.01689	19.1
170.99579	4.1
175.02763	8.1
177.04308	9.9
179.02266	13.7
185.01155	22.0
186.99141	3.5
187.02696	38.5
189.00702	14.5
194.99532	2.4
195.03259	2.5
198.67581	1.9
200.95026	1.7
203.02179	33.8
205.00195	8.4
205.03822	12.0
207.01711	3.3
213.00621	30.8
213.04265	3.9
221.03241	22.9
231.01678	47.0
231.05429	2.5
239.02177	16.3
245.03365	2.3
249.02734	89.0
257.03214	21.7
267.03748	47.0
273.02768	7.7
277.66635	1.9
291.03915	10.7
293.14935	2.5
309.04932	11.7
339.69308	2.0
353.05219	4.4
371.06403	10.8
395.06445	14.4
413.07550	32.9
431.08600	13.6
455.08148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.89397	0.8
55.05499	6.9
56.91427	0.8
57.03416	7.3
57.07058	43.3
62.06070	21.2
67.05477	9.9
69.07036	10.3
71.08607	26.0
76.54922	1.1
79.05450	1.7
79.47362	0.9
81.07021	17.5
83.08581	9.5
85.10144	12.4
89.05991	1.0
91.05468	1.3
92.09347	2.9
93.07025	4.2
95.08025	1.3
95.08569	22.2
96.08916	1.3
97.10120	1.9
98.98418	8.7
105.06985	4.1
106.07333	1.2
107.08575	8.4
108.08918	1.7
109.10136	12.0
111.08057	2.1
111.11613	0.9
113.31694	0.9
119.08539	7.3
120.08881	1.2
121.10085	4.9
123.11649	1.7
130.46111	0.9
131.08545	2.3
133.10091	3.7
135.11577	1.6
137.13231	1.1
143.08539	1.3
145.10115	7.8
146.10429	1.8
147.11674	1.3
149.13182	1.8
155.00986	5.5
157.09935	1.2
159.11690	4.2
160.11937	0.9
161.13232	2.1
169.10036	1.1
171.11581	1.5
172.12006	1.5
173.13266	1.6
174.13606	1.1
175.14742	2.2
185.13167	1.2
189.16299	1.8
199.14661	1.2
201.16310	3.8
202.16673	1.4
213.16431	3.0
216.06204	1.2
239.23589	1.1
241.19249	1.4
282.27853	18.3
313.27271	100.0
314.27515	1.1
372.24811	1.1
380.97513	0.9
393.23807	5.7
407.33136	0.9
408.33212	1.7
424.32770	1.1
436.27869	3.9
453.33252	1.3
454.28375	1.5
454.33792	4.9
478.20682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65176	0.4
53.00280	0.6
53.03926	1.5
55.01846	3.5
55.05484	3.7
56.96540	2.3
57.03419	44.5
57.07049	1.3
59.04971	1.1
61.02903	18.9
67.05471	4.1
68.97977	0.5
69.03401	45.1
69.07043	15.6
71.01320	4.0
71.04964	6.5
73.02886	75.2
79.05473	1.3
81.03375	10.5
81.07012	3.2
83.04935	2.4
83.08582	7.3
85.02872	100.0
87.04437	5.0
91.03906	6.3
91.05434	2.5
92.08680	1.4
92.63627	0.7
93.06996	3.0
95.04916	1.4
95.08557	3.6
97.02850	59.7
97.06509	4.2
99.04433	4.5
99.08033	0.7
101.02321	0.9
103.03902	1.3
105.07001	1.0
107.08534	2.3
109.02849	9.9
109.06466	1.1
109.10106	0.9
111.04387	0.8
111.08070	0.8
112.18502	0.6
115.03892	27.1
117.38390	0.6
119.08559	1.2
121.06458	1.3
121.10095	1.0
125.13206	0.7
127.02985	1.1
127.03870	20.9
131.08527	0.7
131.44897	0.6
132.06520	1.3
133.04919	9.0
133.10089	1.3
135.07939	0.7
139.07471	3.0
143.14238	1.2
145.04912	23.9
147.11601	0.7
150.07570	2.6
151.07458	0.8
153.12695	2.5
155.14316	0.7
158.99619	0.7
162.07588	0.7
163.03767	0.8
163.05948	10.8
175.10944	0.7
195.57439	0.7
197.15254	0.7
203.05869	1.1
214.08939	0.7
223.05986	3.2
239.16400	0.9
241.06978	3.8
249.07970	0.8
259.08081	3.0
267.08951	6.7
269.17307	3.4
285.09967	15.6
286.10275	0.9
287.18390	3.0
295.10001	4.2
305.19626	4.7
324.11218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	2.1
55.01850	2.5
55.05483	7.8
56.96535	2.2
57.03419	38.0
59.04962	3.2
61.02894	10.5
62.09594	1.4
67.05475	4.0
69.03401	100.0
69.07036	19.3
71.04962	3.8
73.02884	10.4
75.04444	4.2
79.05450	10.8
81.03371	6.8
81.07014	9.1
83.04948	2.6
83.08577	7.4
85.02873	88.9
87.04439	57.8
91.03934	2.4
91.05441	7.4
93.06982	7.9
94.07334	1.6
94.43548	1.7
95.08588	2.6
97.02854	72.1
97.06467	2.6
99.04437	2.1
105.06983	9.7
107.04891	3.1
107.08544	7.8
109.02780	1.7
109.10095	3.8
111.04460	2.3
115.03888	62.4
119.08513	6.6
121.06515	2.0
121.10093	2.3
123.11610	2.2
127.03928	12.2
133.04924	53.1
133.10042	14.9
134.10455	2.1
145.04919	14.5
145.10086	2.5
147.11617	2.1
150.07556	8.0
159.11621	3.0
203.14091	2.0
285.10156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09916	1.2
50.93556	1.3
53.03927	6.5
55.01861	10.6
55.05495	7.2
57.03413	10.2
59.04987	2.0
61.02899	8.9
67.05477	6.1
68.99771	3.2
69.03402	42.3
69.07041	18.2
71.04964	41.4
73.02874	7.6
73.06526	8.2
79.05444	12.2
81.03389	28.5
81.07027	47.9
83.04922	2.0
83.08585	6.5
85.02873	100.0
87.00800	60.1
91.05434	11.6
93.07011	35.4
95.04922	3.2
95.08566	12.4
97.02850	50.3
97.06450	5.7
97.53130	1.5
99.04424	13.7
103.03915	2.9
105.01826	42.8
105.07012	12.9
107.04939	14.3
107.08558	33.7
109.02850	24.1
109.06469	12.5
109.10116	14.7
111.08009	1.8
115.03896	3.6
117.01814	1.5
117.06986	2.1
119.08546	16.3
121.06470	6.8
121.10117	3.5
123.07993	2.0
123.11659	1.8
125.09586	1.9
127.03873	45.3
129.01785	6.6
131.08583	2.4
133.10077	6.0
135.04416	2.5
135.11652	40.9
137.13237	2.5
143.08543	1.9
145.04922	14.5
145.10065	7.5
147.07980	6.3
147.11629	3.2
149.13153	1.5
153.12701	90.5
159.02827	6.5
159.08038	2.1
159.11705	2.7
163.03886	14.4
165.12680	7.1
173.09579	8.2
177.12688	6.4
181.04909	1.9
195.13815	3.0
215.14119	2.0
231.04948	9.1
233.15373	2.6
237.14790	1.8
243.13756	6.7
248.70753	1.6
249.05940	3.7
257.07971	14.8
261.14761	8.1
275.08951	3.1
279.15817	2.0
297.96667	1.6
299.84744	2.0
306.48218	1.5
347.14694	3.0
365.15683	6.7
383.16895	10.1
401.17905	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.335
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05494	25.4
56.02979	3.8
57.07061	8.9
67.05491	41.9
69.07042	35.8
79.05461	27.1
79.50388	4.2
81.07022	95.1
83.08606	11.1
91.05454	36.4
93.07012	68.1
94.78149	5.7
95.04939	7.4
95.08571	100.0
97.10146	6.7
100.21363	5.2
105.06998	64.9
106.72794	5.6
107.08563	89.9
109.06487	5.9
109.10123	67.9
111.08028	6.5
114.55400	5.1
117.06979	13.0
118.57939	5.4
119.08537	91.4
121.10122	55.9
123.11642	36.7
126.87984	5.6
129.07028	7.1
131.08530	48.0
133.10095	69.1
135.07982	6.6
135.11652	54.2
137.13211	10.5
142.07634	6.1
143.08553	36.4
144.09300	8.3
145.10066	63.4
147.07991	7.3
147.11641	46.2
149.13232	23.7
155.08524	7.5
156.09258	5.8
157.10101	31.8
158.97072	5.6
159.11655	52.7
161.13225	34.1
163.14723	7.7
169.10042	9.9
171.11592	12.2
173.13217	34.9
175.14729	23.7
177.16272	9.5
183.11649	10.2
185.13161	8.0
187.14722	58.8
189.16330	45.3
191.17949	23.1
197.13156	30.6
199.14697	22.5
201.12679	35.8
201.16377	26.8
203.17848	11.3
205.15897	5.8
207.17322	6.9
211.14851	9.0
213.16345	7.3
215.14236	25.9
215.17897	9.5
267.39188	6.9
308.63101	5.4
407.33075	50.2
435.32471	31.4
453.33841	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47182	2.3
54.64089	2.3
55.05495	55.0
57.07051	16.0
67.05476	28.9
69.07044	54.5
79.05458	33.2
80.57330	2.3
81.07029	51.7
83.08591	44.1
88.69120	2.5
91.05438	32.1
92.08767	3.1
92.37675	2.4
93.06998	73.5
95.08568	86.2
97.10109	19.4
105.07001	48.2
107.08565	100.0
109.10128	43.2
116.58007	2.6
117.07022	4.8
119.08527	54.9
121.10104	73.1
123.07986	3.7
123.11644	25.9
125.05998	3.0
131.08527	24.1
133.10086	54.8
135.11635	63.6
137.13266	3.9
143.08511	6.4
145.10049	18.7
147.11649	40.8
149.05937	2.6
149.13185	22.8
157.10123	5.7
159.11652	17.2
161.09602	5.0
161.13133	17.8
163.14758	10.4
164.09276	2.6
171.11566	4.4
173.13298	4.3
175.14769	9.7
179.83331	3.1
183.11679	3.1
185.13135	4.7
187.14745	4.6
189.16351	17.5
191.17894	41.9
193.12219	3.6
201.16342	19.8
203.17863	40.0
213.16212	3.6
217.19469	3.3
225.16376	3.5
311.27225	4.1
325.91629	2.9
375.17520	2.8
407.36508	14.3
435.36243	5.1
453.37369	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	453.3351
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.24259	1.1
52.19859	1.2
53.03965	1.6
55.05487	12.8
57.07055	2.8
63.37687	1.4
67.05474	24.7
69.07044	17.4
79.05464	17.5
81.07023	54.0
81.07493	2.8
83.08594	10.9
91.05437	15.8
93.07016	45.3
95.04949	3.1
95.08565	76.3
97.10110	2.5
105.06978	34.6
107.08556	57.3
109.06487	2.9
109.10119	38.0
111.07991	13.8
117.06962	3.8
119.08537	100.0
121.10101	34.1
123.04379	2.5
123.11662	18.1
129.06923	2.5
130.07683	2.4
131.08533	19.4
133.10075	31.0
135.11633	17.2
137.13208	7.1
139.11102	6.9
143.08517	9.3
145.10074	56.8
146.95209	1.6
147.11638	22.1
149.13200	23.4
151.07524	2.8
155.08578	2.7
156.09294	2.0
157.10074	17.4
159.08012	1.9
159.11650	27.5
161.13200	13.8
163.07504	9.5
163.14789	13.8
169.10051	6.4
171.11650	14.6
173.13203	21.8
175.14682	13.9
177.09145	2.3
177.16373	14.6
183.11621	3.5
185.13220	10.4
187.14740	19.5
189.16338	15.7
193.24695	1.9
195.17296	2.2
197.13185	3.6
199.14720	11.4
201.16299	20.8
203.17834	8.1
207.17361	6.7
211.14755	4.1
213.16318	19.6
215.17838	6.8
217.15738	1.6
219.17465	1.6
225.16254	3.2
227.17961	2.4
229.15857	4.0
229.19463	3.3
233.15305	2.2
233.18962	2.9
239.17926	6.7
241.19446	7.0
253.19385	2.9
255.20857	2.1
257.15237	4.1
259.16876	9.2
299.19907	2.0
317.92435	1.8
353.24731	2.5
353.69586	1.7
362.13297	1.9
389.31720	6.7
391.33322	2.5
407.33105	13.7
423.32404	6.7
435.32571	22.8
453.33780	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	453.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05271	1.3
55.05495	19.1
57.03408	1.0
57.07064	2.0
65.03907	1.5
65.61595	1.0
67.05485	19.6
69.07046	14.9
77.03900	1.1
79.05460	15.0
81.07021	40.9
83.04951	100.0
83.08596	7.7
91.05435	17.3
93.07008	44.0
95.04939	18.4
95.08567	65.9
97.06470	1.3
97.10120	2.6
105.06998	52.0
107.08561	62.4
109.06464	6.3
109.10123	32.3
111.08048	4.6
117.06956	4.9
118.57735	1.0
119.08537	70.4
121.10102	34.5
123.08012	14.0
123.11646	15.7
125.09600	2.3
125.13226	1.2
129.06992	1.7
131.08519	18.6
133.10080	40.2
135.11655	24.7
137.09595	1.4
143.08510	7.5
144.09270	2.6
144.23106	1.1
145.10080	33.7
147.11647	24.9
149.09544	1.9
149.13211	12.5
153.09064	2.3
157.10086	11.1
159.11629	47.1
161.13188	43.5
163.14757	13.3
165.12613	1.2
171.11600	7.6
173.13199	18.7
175.14731	21.0
177.16339	12.5
183.11650	1.8
185.13170	2.2
187.14742	26.6
189.16321	45.1
191.17847	6.8
193.15799	1.1
197.13094	1.6
199.14787	8.7
201.16312	33.0
203.17838	17.3
204.06404	1.2
205.15825	4.8
211.14725	2.3
213.16307	19.0
215.17897	19.8
217.15872	13.9
219.17323	5.7
225.16486	1.8
227.17867	4.1
229.19412	2.0
231.17413	2.5
235.16850	4.5
241.19350	5.6
247.16911	4.6
249.18498	1.8
253.19440	1.6
255.21013	1.7
259.16782	8.0
261.18497	3.5
349.28680	4.7
357.27649	5.2
358.42383	1.1
370.82709	1.4
371.29120	2.4
389.31747	4.5
395.29224	8.8
407.32858	15.0
409.34357	1.8
423.32434	1.5
435.32239	7.4
453.33487	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47365	1.9
55.05495	23.1
56.70436	2.0
57.07051	4.4
67.05490	18.0
69.07039	20.6
70.41198	2.1
79.05457	24.3
81.07027	52.6
83.04475	3.7
83.04951	100.0
83.08604	4.7
91.05427	20.4
92.09397	4.3
93.07008	49.7
95.04911	5.0
95.08569	72.7
97.10157	2.9
105.06998	62.2
107.08556	82.2
109.10107	35.4
117.06968	10.7
119.08532	70.3
121.10096	42.9
123.08036	4.6
123.11661	18.5
125.09575	3.6
131.08566	36.7
133.10078	49.0
134.41141	2.4
135.11650	35.5
143.08543	9.2
145.10081	40.5
147.11646	28.7
149.13223	12.1
155.08434	2.7
157.10098	15.4
158.10864	2.4
159.11632	44.4
161.13197	32.9
163.14738	5.7
169.10040	4.8
171.11604	13.4
173.13167	25.8
175.14755	34.5
177.16324	9.5
185.13234	9.8
187.14742	32.5
189.16347	15.0
191.17973	2.9
193.15765	2.8
197.13173	3.5
199.14751	15.9
201.16313	44.4
203.17990	12.9
211.14748	3.6
213.16277	20.8
215.17891	13.1
225.16328	5.0
227.18001	2.9
237.16277	2.7
239.17717	3.3
241.19432	4.7
253.19153	3.5
255.21045	2.7
259.16937	4.5
267.20938	3.1
389.31433	6.3
395.29248	4.9
407.33005	28.1
435.32596	18.4
453.33438	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.4
56.08201	0.7
57.03414	0.9
57.07050	3.4
62.05486	0.8
65.03904	0.7
65.66144	0.8
67.05479	15.8
68.38951	0.7
69.07043	15.6
71.04983	1.2
76.38448	0.7
79.05462	13.4
81.07024	35.9
83.04468	1.8
83.04951	42.2
83.05448	1.5
83.08592	8.7
91.05440	15.8
92.08662	2.5
93.07010	40.4
95.04917	9.5
95.08570	59.6
97.06516	1.1
97.10123	3.6
99.08079	1.2
105.04579	0.9
105.06998	58.9
107.08562	59.7
109.06490	3.8
109.10116	30.4
111.08037	4.8
117.06983	6.9
119.08540	76.6
119.35075	0.9
120.75683	0.8
121.06435	1.2
121.10105	41.8
123.08008	6.9
123.11667	12.7
125.09581	2.1
129.06966	4.2
131.08510	23.1
133.09064	1.7
133.10083	53.5
135.08002	4.0
135.11646	22.0
136.81516	0.9
137.13245	1.4
139.11214	1.0
142.07726	1.0
143.08521	8.4
144.09256	1.4
145.10078	34.9
147.11650	74.0
149.09544	3.5
149.13214	22.9
151.11156	1.6
153.09036	7.1
157.10092	10.1
158.10851	1.6
159.11638	28.5
161.09557	3.7
161.13199	37.2
163.14783	13.2
165.09044	1.2
165.12639	1.2
167.10658	3.6
171.11618	6.3
172.12509	1.2
173.13220	17.3
175.11066	1.8
175.14755	21.0
177.12741	1.3
177.16316	21.1
179.10600	1.4
181.12202	1.2
183.11690	1.5
185.13246	6.4
187.14783	23.7
189.12708	1.4
189.16335	36.6
191.17908	3.3
199.14856	8.5
199.16428	1.3
200.86462	0.9
201.12604	1.0
201.16330	27.4
203.14493	8.0
203.17894	100.0
205.15823	44.1
205.17783	0.9
205.19487	4.8
207.17328	1.3
211.14760	1.5
213.16286	7.9
215.17876	10.4
217.15800	8.5
219.17390	4.3
221.18976	1.8
225.16231	1.2
227.17783	1.4
229.19550	1.4
231.17368	3.4
235.16756	3.0
241.19391	3.0
243.17429	1.1
243.20982	4.4
247.16869	1.0
249.18437	18.0
261.18365	2.0
319.24414	1.1
325.28418	1.1
349.28833	2.1
357.28024	1.0
389.31763	5.1
395.29190	5.7
407.32950	16.3
435.32321	6.9
453.33582	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3352
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03904	2.6
55.05505	15.3
57.09856	1.8
63.74532	1.8
64.11574	1.8
67.05497	19.9
69.07026	12.7
79.05457	13.9
81.07024	42.1
83.04477	4.3
83.04954	100.0
83.08593	5.2
85.69383	2.0
91.04987	1.7
91.05449	23.0
92.08780	2.6
93.06998	45.0
95.04944	11.6
95.08565	58.0
104.04012	2.1
105.07000	50.5
106.06617	2.1
107.08562	67.1
109.06481	4.6
109.10114	34.1
117.06942	5.1
119.08553	64.1
121.10097	32.8
123.08002	9.2
123.11642	12.5
125.09595	3.6
129.06900	2.3
131.08522	19.5
132.26433	2.1
133.10088	41.7
135.11642	17.9
142.07683	2.3
143.08531	8.2
145.10068	43.6
147.11650	23.9
149.13177	9.3
151.11098	2.6
157.10063	14.2
159.11652	41.3
161.13200	36.5
163.14743	10.0
171.11627	8.9
173.13179	26.0
175.14755	16.3
177.16342	4.6
185.13197	5.0
187.14784	20.8
189.16318	40.2
191.17860	4.4
199.14740	4.3
201.16335	44.9
203.17926	15.3
205.15709	3.7
213.16336	8.6
215.17856	22.5
217.15822	8.7
219.17419	10.8
221.15488	2.4
227.17848	4.8
235.16733	3.1
241.19472	2.4
247.16656	3.9
261.18365	5.4
389.31995	4.4
395.29440	4.4
407.32941	18.7
435.32306	9.1
453.33542	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	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	1.6
55.05494	18.9
56.05036	1.8
57.07056	4.6
59.04283	1.8
60.95772	1.6
67.05484	27.3
69.07041	18.6
79.05446	18.0
81.07024	55.1
83.04962	11.5
83.08576	14.0
86.87884	2.4
91.05455	27.5
93.07008	47.5
95.04912	2.3
95.08574	77.4
97.06510	1.9
97.10114	4.1
105.07005	73.2
105.27240	2.0
107.08559	78.0
109.06469	7.3
109.10127	39.7
111.08058	11.2
117.06970	12.2
118.81644	1.8
119.08539	100.0
121.10107	54.5
123.08026	2.7
123.11656	23.1
125.09605	4.0
129.07008	2.3
130.07730	2.0
131.08525	38.4
133.10086	57.0
135.11633	24.5
143.07359	1.7
143.08481	15.3
144.09309	4.3
145.10083	71.3
145.11227	2.8
147.11665	39.4
149.13161	17.0
155.08589	3.3
157.10126	16.9
158.10818	2.5
159.11644	53.8
161.13184	23.8
163.14760	9.6
169.10091	3.2
171.11635	17.1
173.13158	34.1
175.14766	25.6
177.12721	2.5
177.16353	11.2
183.11584	3.1
185.13200	10.6
187.14764	41.1
189.16348	42.5
191.14275	3.9
191.17897	2.6
197.13223	3.5
199.14735	9.6
201.16325	52.2
203.17894	9.8
205.15854	21.2
210.18510	25.4
213.16296	23.4
215.17902	19.7
217.15837	3.6
219.17369	15.8
227.17957	4.2
231.17406	3.5
235.16949	2.6
241.19513	11.7
247.17061	2.9
253.19360	2.8
255.21071	2.6
267.21045	4.6
389.31934	8.2
407.32935	30.2
409.34604	2.6
435.32504	11.0
453.33621	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	453.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81282	1.7
55.05495	24.5
57.07053	9.5
65.15656	1.5
67.05480	27.4
69.07042	29.9
70.23138	1.5
71.04970	2.4
76.74580	1.6
77.03882	1.8
79.05460	22.2
81.07025	47.9
83.08598	11.5
85.06516	2.3
91.05431	18.1
92.08655	3.9
93.07011	53.8
95.08569	81.5
97.06502	2.8
97.10139	2.1
99.08092	3.6
105.06991	51.8
107.08561	91.7
109.06509	2.7
109.10128	64.0
109.10864	2.8
111.08075	2.5
111.11673	1.8
113.20586	1.6
117.06980	7.6
119.08540	100.0
121.10105	61.7
123.08010	3.5
123.11667	14.4
125.09613	3.4
129.07019	2.9
130.07742	2.3
131.08519	35.4
133.10085	64.1
135.08000	6.7
135.11633	32.7
137.09598	3.9
137.13206	4.0
143.08516	15.6
144.09233	2.1
145.10074	77.8
147.11644	43.3
149.09549	8.1
149.13193	13.8
151.07498	2.0
151.11150	2.6
153.09045	2.4
155.08521	3.6
156.09256	2.1
157.10066	26.7
158.10844	3.3
159.11635	53.8
160.12257	2.0
161.09586	1.7
161.13188	27.6
163.07483	6.6
163.11139	46.0
163.14757	20.2
165.12682	2.2
169.10083	4.3
170.10822	2.7
171.11612	21.9
172.12457	2.0
173.13170	37.2
173.14586	2.2
175.14752	23.8
177.12718	4.1
177.16339	26.5
179.14270	1.8
182.10863	2.1
183.11664	3.9
185.13188	14.7
186.14073	3.4
187.14766	36.5
189.12654	2.7
189.16304	21.6
191.10690	2.0
191.14259	2.0
191.17926	6.3
197.13205	9.1
199.14734	22.7
201.16296	58.1
201.17975	2.9
203.14270	4.2
203.17938	10.6
205.15825	58.1
209.13171	3.1
211.14781	8.0
213.16321	14.6
215.17958	13.2
217.19438	2.0
219.17401	3.5
221.15340	1.9
222.83121	2.0
225.16269	6.4
227.17860	11.9
229.19405	2.7
231.17366	3.3
233.15390	2.9
239.17896	8.9
241.19569	3.3
245.15346	3.9
245.19026	1.9
247.16867	8.8
251.17828	3.6
253.19469	4.0
254.19963	1.8
255.21088	2.3
259.16898	7.0
269.22437	2.8
273.18228	2.0
281.22656	3.0
285.22000	1.9
321.25876	4.2
327.22885	2.9
389.31934	11.7
407.32974	42.4
417.31015	1.9
417.36932	2.4
435.32651	29.5
453.33432	37.7
466.42041	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3353
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05489	21.6
57.07054	3.5
64.32274	1.7
66.78065	1.8
67.05486	23.8
69.07037	24.5
70.35278	1.5
79.05463	11.8
81.07025	35.6
83.08575	24.8
91.05451	21.4
91.69679	1.7
93.07014	46.9
95.08574	66.5
99.08018	2.6
105.07004	54.4
107.08559	72.0
109.06441	3.4
109.10134	32.5
111.08021	2.6
117.06972	13.6
119.08533	100.0
121.10108	47.1
123.08022	3.1
123.10925	1.7
123.11660	14.0
124.21090	2.2
127.62634	1.6
129.06912	2.8
130.07803	2.0
131.08511	33.1
133.10078	40.1
135.11647	31.4
137.13245	2.7
143.08510	18.5
144.09261	3.3
145.10081	64.4
147.11650	39.2
149.13229	12.5
153.09111	1.9
155.08516	3.8
156.09349	3.2
157.10083	25.9
158.10866	3.9
159.11635	51.2
161.13177	27.2
163.07442	4.2
163.11136	6.6
163.14752	11.8
169.10091	4.1
170.10858	2.5
171.11636	18.3
173.09619	1.8
173.13208	24.8
175.14740	32.6
177.09015	2.7
177.16336	11.0
183.11636	10.1
185.13182	26.1
187.14755	37.5
189.16292	24.1
191.17892	3.0
195.11642	2.2
197.13264	10.1
199.14680	19.3
201.16322	35.6
203.14249	7.7
203.17815	15.7
205.15825	8.1
207.17332	2.6
209.13174	3.1
211.14783	9.2
213.16267	15.4
215.17867	10.0
219.14037	1.9
219.17392	2.1
227.17860	7.9
231.17415	2.7
239.17854	7.6
241.19406	3.5
245.15227	2.2
247.16711	3.2
248.43776	1.8
249.14536	2.7
253.19382	3.3
259.16934	2.9
267.20862	6.5
281.22321	3.1
281.81427	2.0
374.50583	1.8
377.55011	1.8
389.31833	12.0
391.33762	2.4
407.32947	21.0
409.30728	17.1
417.31180	1.8
435.32355	27.2
453.33698	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	453.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.0
54.81071	1.0
55.01839	1.3
55.05497	7.7
56.55057	1.0
57.03420	1.4
57.07050	2.6
59.04961	2.1
60.02785	0.9
61.02901	1.9
65.75967	1.0
67.05468	8.3
68.62796	0.8
69.03409	10.7
69.07040	12.4
70.54487	1.0
71.04964	44.1
73.06522	2.3
74.07648	0.9
79.05456	11.0
81.03388	1.5
81.07021	28.9
83.04935	6.3
83.08601	7.6
85.02460	1.0
85.02880	13.1
85.06513	13.0
91.05438	11.2
93.07007	41.0
93.66042	1.0
95.04932	12.5
95.08572	16.8
96.08916	1.3
97.02853	5.5
97.06492	5.4
97.10126	9.5
97.80702	1.0
99.08059	4.6
105.06997	38.0
105.94519	1.2
107.08560	44.4
109.06494	2.3
109.10124	28.9
111.08030	2.3
115.05381	1.3
117.06969	1.9
119.08540	20.7
121.10098	100.0
123.07977	1.7
123.11644	7.5
125.08667	1.5
125.09592	46.5
126.09921	1.2
127.03904	1.6
127.11148	10.2
131.08525	6.0
133.10083	94.6
134.10316	1.7
135.07990	1.2
135.11647	10.7
135.12544	1.0
139.11145	1.4
143.10626	83.0
145.10088	13.5
147.11665	16.4
149.13217	6.4
151.11122	27.7
152.11488	8.1
153.12711	2.5
157.10066	1.3
159.11656	19.3
161.13200	5.0
163.03729	1.5
163.11139	2.1
164.90894	1.1
167.07002	2.1
173.13174	1.8
175.14713	1.4
189.16307	25.3
191.06941	1.2
191.17912	4.7
192.18221	1.2
201.16336	12.4
207.17328	12.7
219.17345	31.1
220.17758	2.5
225.18495	1.6
230.80788	1.2
231.21254	1.3
237.18413	36.7
238.18753	9.2
248.37857	1.2
255.19449	21.8
273.20517	9.2
284.12207	1.3
287.66232	1.2
291.21533	6.0
303.06436	1.6
399.23367	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01844	2.8
55.05497	7.5
57.03409	4.0
59.04950	0.6
61.02896	1.1
67.05478	8.8
69.03402	9.5
69.07043	6.7
71.04964	7.9
79.05451	12.4
81.03382	1.1
81.07021	18.7
83.04939	1.4
83.08610	0.9
85.02871	11.1
85.06506	8.4
85.68334	0.6
91.05431	12.6
93.06999	21.4
95.04933	3.5
95.08565	30.7
97.02842	3.0
97.06484	6.4
97.10123	0.8
99.04408	2.7
105.06992	20.2
107.04879	0.8
107.08555	22.8
109.06480	5.9
109.10109	8.0
111.08047	4.7
113.09589	6.0
115.05351	0.8
117.06968	5.5
119.08529	30.2
120.47072	0.6
121.06451	15.0
121.10097	14.5
123.08016	33.8
125.09594	0.9
128.06151	1.4
129.06972	2.9
130.07661	1.2
131.08528	16.3
133.06522	0.9
133.10074	20.0
135.08003	100.0
135.11638	1.4
137.09560	17.0
139.11101	2.9
142.07733	1.6
143.08530	6.1
144.05594	0.8
145.06424	3.4
145.10077	19.2
147.08014	10.1
147.11592	5.3
149.09561	4.9
149.13213	0.6
155.08488	4.1
156.09264	4.0
157.10054	11.1
158.07193	1.3
158.10863	3.8
159.07982	14.2
159.11620	8.0
160.08754	4.0
161.09535	14.0
161.11740	0.7
161.13171	2.7
163.03799	1.2
163.11165	2.4
165.09042	38.3
167.08459	1.1
169.10062	2.6
170.10803	1.1
171.11600	8.4
172.08746	3.2
173.09560	15.8
173.13197	20.3
175.11133	7.3
175.14749	1.3
177.09016	1.5
177.12605	1.1
179.10574	1.5
182.10829	3.3
183.11601	1.3
185.09566	2.7
185.13231	6.5
186.10368	1.1
187.11136	4.2
187.14751	7.9
189.12566	2.4
195.11592	0.8
197.13213	9.1
199.11119	3.2
201.12520	0.7
203.14183	5.3
213.12663	3.6
213.16252	4.4
215.14226	9.7
231.17232	4.8
233.15259	5.7
237.16252	0.9
243.17426	4.6
255.17276	6.6
261.18454	5.9
273.18387	21.5
291.19431	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90999	0.3
53.00291	1.4
53.03926	0.8
53.24599	0.3
55.01841	1.9
55.05491	3.8
57.03415	0.5
57.07067	0.6
60.08929	0.3
65.04366	0.3
67.05142	0.6
67.05473	6.4
67.30957	0.4
69.03393	2.5
69.07038	14.6
70.07373	3.2
71.04957	0.6
79.05453	17.0
79.05911	0.7
80.05811	0.6
81.07024	7.7
83.04949	3.0
83.08573	0.8
85.02855	0.7
89.03880	3.3
90.04199	0.8
91.05436	9.6
93.07003	14.7
95.04924	2.6
95.08547	4.8
97.02860	4.3
97.06483	13.0
98.06823	3.8
99.08055	0.5
101.76713	0.4
105.04494	0.4
105.06989	31.4
107.04920	11.1
107.08556	9.3
109.02817	0.4
109.06451	1.4
109.10117	9.4
111.08051	0.4
115.05352	0.5
117.03318	5.8
117.06936	0.8
117.94919	0.4
118.03640	2.9
118.07771	0.5
119.03908	0.6
119.08539	6.7
121.06441	2.0
121.10085	3.1
123.04364	0.6
123.08002	1.6
125.09579	2.1
127.07530	0.4
128.06123	0.4
129.06938	0.6
131.08496	5.2
133.10077	100.0
134.03572	2.2
134.10414	0.4
135.04375	10.9
135.07957	2.8
135.11630	1.8
136.04732	5.5
136.73839	0.4
137.04854	2.7
137.05934	0.8
137.09552	13.7
142.07750	0.5
143.08519	2.1
145.02791	9.5
145.06422	0.6
145.10086	2.1
146.03143	4.3
147.03394	1.9
147.07977	0.8
147.11649	2.2
149.09511	0.8
153.08997	0.5
155.08502	0.7
157.10036	3.1
159.11627	3.5
161.09541	5.0
161.13202	1.6
162.03082	0.4
163.03835	41.2
164.04176	23.6
165.04358	17.0
169.10043	0.4
171.11586	1.4
173.13176	1.5
175.11154	0.9
175.14742	2.5
181.10046	0.6
183.11678	0.5
185.13217	1.6
187.14816	0.7
189.12675	0.9
191.03281	0.4
199.11147	0.5
199.14783	1.5
201.16246	0.6
203.14333	0.8
205.15810	0.6
213.16200	0.5
215.14334	0.4
217.04938	0.6
217.15787	9.0
218.05321	0.7
245.95590	0.4
259.09534	17.8
260.07263	0.8
260.09869	12.9
261.10095	20.0
262.88889	0.4
269.18976	0.5
273.18399	3.9
279.21793	0.4
291.19543	2.2
310.34006	0.5
315.19470	0.4
369.20374	3.7
435.23300	0.7
453.24365	0.8
453.29678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01857	3.5
55.05497	5.8
65.03918	0.7
67.05479	3.4
68.99776	2.8
69.03414	2.6
69.07034	1.6
79.05470	7.9
81.03387	1.5
81.07027	3.9
81.09037	0.6
82.06551	0.8
83.04970	0.9
83.08584	4.8
85.02888	3.8
85.06500	1.0
89.03889	2.8
91.05450	3.9
92.08746	0.9
93.03370	3.4
93.07012	1.0
95.04929	3.9
95.08591	2.5
97.02851	1.4
97.06500	3.7
99.04402	1.2
100.07585	1.0
100.11217	14.2
103.05422	0.8
105.06994	1.1
107.04922	6.2
107.08530	1.2
109.02856	1.0
109.10085	0.8
111.04403	1.4
115.03982	1.2
115.05461	0.8
117.03359	1.6
119.04897	10.0
123.04393	60.1
127.03872	1.5
128.07048	1.0
129.06961	0.8
131.04898	2.8
135.04378	23.3
137.02306	32.6
137.03322	1.4
137.05945	0.7
139.03874	3.7
143.04907	4.1
145.02798	6.3
145.06430	1.0
147.04364	26.7
161.02336	1.6
161.05957	8.6
163.03859	42.0
164.04156	1.6
165.01764	2.7
165.05434	9.6
171.04492	1.0
173.06000	0.9
175.03908	1.4
176.04135	0.8
177.05400	1.6
179.03346	4.0
179.06998	3.6
182.15346	4.8
183.02861	1.4
185.06006	1.3
187.03888	3.5
189.01860	0.8
189.05460	3.1
191.03331	100.0
192.03795	0.7
193.04965	1.4
197.06012	0.7
197.51831	0.7
199.03810	0.9
201.05492	0.7
203.03360	4.3
205.04901	2.6
207.02823	7.5
207.06487	5.6
208.03252	3.1
209.16479	0.9
210.14861	3.9
213.05386	3.3
215.06931	0.8
216.07280	0.9
217.04945	2.9
221.04427	3.8
231.06274	0.7
233.04356	0.9
241.04942	1.2
247.05890	0.9
259.05902	8.9
259.09503	3.3
260.09900	6.2
261.10287	0.9
271.05911	3.8
298.11340	0.7
301.06982	17.6
313.07086	6.3
317.06461	3.1
332.56915	0.7
343.08017	29.4
343.30463	1.1
356.72324	0.7
389.80930	1.1
395.57089	0.6
411.10632	4.1
435.10559	2.8
444.33652	2.8
453.11444	1.6
453.34015	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20377	0.8
54.81036	0.9
55.01849	1.5
55.05243	1.6
55.05494	32.9
55.05761	1.4
57.03413	1.4
57.07049	1.6
59.04962	2.0
59.38123	0.9
61.02895	1.3
67.05473	10.0
69.03394	8.5
69.07037	9.7
71.04573	1.2
71.04963	33.3
73.02879	1.2
73.06505	4.0
73.23824	0.9
79.05453	9.0
81.03386	1.7
81.07026	29.7
83.04945	22.0
83.08580	3.8
84.29456	1.0
85.02879	12.1
85.06509	4.4
91.05446	11.1
92.09426	1.1
93.07003	32.8
95.04918	10.0
95.08562	22.4
97.02872	1.9
97.06485	13.5
97.10147	1.4
98.06822	1.5
99.06492	1.0
99.08067	3.7
105.06291	1.4
105.06998	34.9
107.08560	29.5
109.06481	2.5
109.10122	15.4
111.08047	5.3
114.39574	1.0
117.06980	5.5
119.08526	15.9
119.35325	1.0
121.10091	61.5
123.04386	2.2
123.08011	5.4
123.11678	7.0
125.09605	7.1
127.03871	1.4
127.11164	6.9
131.08495	16.1
133.10086	100.0
135.11641	20.4
137.09555	1.9
137.13245	1.4
139.11145	11.5
143.10620	8.0
145.10075	21.0
147.11597	12.6
149.13216	6.0
151.11128	16.9
153.12688	14.4
155.10707	1.0
159.10289	2.4
159.11647	14.7
161.13156	5.5
163.03813	1.7
163.11176	3.6
167.14206	1.5
173.02281	1.0
173.13208	1.3
174.06325	1.3
175.14803	2.1
177.12720	1.7
191.03288	1.5
191.17911	4.3
198.06409	1.0
201.16278	16.5
215.06984	2.0
216.07289	2.1
219.17378	23.8
237.18399	85.8
255.19365	2.4
260.09894	4.7
260.19141	1.0
312.52664	0.9
329.59409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.1
53.03918	0.8
55.01858	1.3
55.05499	13.1
56.60527	0.7
57.03411	1.5
57.07057	4.7
59.04970	4.1
61.02895	1.2
62.06073	1.5
62.96400	0.7
64.31903	0.8
65.03918	1.2
66.22664	0.8
67.05151	1.4
67.05486	20.0
69.03395	4.8
69.07042	11.9
70.06571	2.2
71.04965	40.3
79.00658	0.8
79.05457	10.5
81.03368	1.6
81.07025	76.9
81.85823	0.8
83.04932	6.8
83.08603	4.5
84.05306	1.0
85.02882	6.9
85.06520	3.2
91.05441	19.5
92.05733	1.0
93.07011	97.6
94.07340	1.2
95.01291	5.0
95.04953	7.9
95.08569	35.6
97.02869	1.6
97.06510	10.3
98.06862	1.4
99.04356	1.2
99.08057	1.8
103.05440	0.9
105.01800	1.0
105.06998	60.0
107.08562	34.2
109.06485	5.4
109.10129	24.2
111.04439	1.2
111.08041	4.0
113.05953	2.1
113.09634	1.0
115.03841	1.0
115.07529	4.9
116.07026	4.5
116.38678	1.0
117.07001	4.3
119.08542	45.3
120.47917	1.0
121.06474	3.2
121.10108	20.5
122.93306	0.9
123.04393	1.2
123.08035	3.6
123.11658	32.9
125.09590	9.4
127.03847	1.6
127.07488	1.0
127.11159	5.7
130.07777	1.4
131.08548	15.1
133.10088	100.0
134.10416	1.7
135.11644	10.6
137.09561	16.7
137.13199	1.5
143.08592	1.2
145.10081	19.8
147.11638	18.6
148.11830	0.9
149.09628	1.8
149.13222	4.0
151.11142	18.8
155.10614	8.4
159.11649	17.0
161.05966	1.7
161.13202	6.7
162.06235	1.0
163.03903	1.5
163.11130	1.8
165.12703	1.4
169.12184	2.1
170.06812	1.0
173.05907	3.3
173.13197	8.4
175.03886	1.1
175.11124	0.9
175.14786	1.1
177.12671	3.3
191.14180	1.5
191.17949	6.9
198.06337	1.3
201.04965	1.0
201.16331	16.9
215.06970	3.8
216.07352	4.8
219.17374	45.2
229.80247	0.9
231.09860	1.3
235.13324	1.0
236.13623	2.2
237.18396	19.3
243.06511	1.2
254.14621	1.2
259.09531	2.0
260.09976	7.7
267.27142	1.0
273.33105	0.9
300.05771	1.2
330.06766	1.0
332.07288	1.0
410.24088	1.1
452.11542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.9
53.03929	2.8
55.01847	13.0
55.05493	21.2
56.82678	1.4
57.03421	7.5
57.07063	5.8
59.04984	6.2
61.02898	7.5
63.92686	1.2
67.05476	32.1
69.03403	24.7
69.07037	24.7
70.06573	3.0
71.04962	63.4
72.33690	1.3
72.76522	1.2
73.02875	1.9
73.06486	2.2
79.05466	26.6
81.03387	9.1
81.07024	100.0
82.07353	2.5
83.04945	23.8
83.08582	6.2
84.05274	3.4
85.02874	38.8
85.06493	10.5
87.00782	6.3
87.04438	3.1
91.05435	26.1
93.07006	86.2
94.07324	3.0
95.04913	15.0
95.08564	51.9
96.05234	1.4
96.08900	2.8
97.02866	11.8
97.06482	31.3
97.10137	1.9
98.06834	7.9
99.04433	6.2
99.08064	7.8
105.01826	3.4
105.06288	2.7
105.06992	70.6
105.07681	2.8
106.07311	2.5
107.04884	2.6
107.08550	54.4
108.08897	2.9
109.02856	6.2
109.06484	8.6
109.10117	37.4
110.10433	6.4
111.04420	5.4
111.08060	7.5
113.05966	6.8
113.09608	2.1
114.06293	1.3
115.05413	2.6
115.07562	1.5
117.06982	7.4
119.08542	48.3
120.08891	1.6
121.06494	2.5
121.10085	45.8
121.10886	2.6
122.10477	1.9
123.08022	10.2
123.11642	29.7
125.09560	16.0
127.03885	14.7
127.07536	3.2
127.11146	15.6
128.11501	2.5
129.05466	1.5
131.08507	22.6
133.10083	87.8
134.10370	1.8
135.04395	5.5
135.08008	3.6
135.11649	17.0
137.09578	20.7
137.13235	2.3
138.09882	1.9
139.11122	6.2
141.06940	6.8
142.07359	2.6
143.10645	7.3
145.06468	1.9
145.10056	30.4
147.04359	8.7
147.11618	23.0
148.04720	2.7
148.11971	1.7
148.64772	1.9
149.09538	12.2
149.13231	9.0
150.09926	2.7
151.11130	54.4
153.09077	1.9
155.06888	1.5
155.10582	10.1
157.10075	2.4
159.08034	6.5
159.11641	23.3
160.04938	1.7
161.05919	6.5
161.13235	7.3
162.02583	3.2
162.06262	2.8
163.03838	8.3
164.04280	1.7
167.06953	1.9
167.08377	1.7
167.10577	2.2
167.14240	2.3
168.14578	3.2
169.06462	15.0
169.12160	21.8
170.06747	13.2
173.02289	6.6
173.05927	1.7
173.13248	11.1
174.02615	3.1
174.06233	1.7
175.03830	7.8
176.04184	5.4
176.07858	1.8
177.05264	1.7
177.12729	2.7
179.03294	1.5
187.07506	8.6
188.07843	9.9
189.09073	3.2
189.16289	1.9
190.05724	1.9
190.09331	1.8
191.14278	3.3
191.17928	8.6
197.05954	12.1
198.06290	15.0
199.04027	2.1
200.04581	14.2
201.04897	13.8
201.16307	20.7
215.06944	26.1
216.07301	39.9
217.15828	2.5
218.09016	2.0
218.15981	1.5
219.17355	65.6
235.16818	1.8
236.17204	3.3
236.23650	5.9
237.14821	3.1
237.18399	49.0
241.14192	6.7
242.08911	1.9
243.14685	1.7
253.18054	1.9
253.53212	1.5
254.24748	5.8
255.15846	6.1
255.19450	6.7
259.09503	20.5
260.09851	37.2
271.19028	2.2
272.19217	2.7
272.25690	1.8
290.26846	3.1
300.05914	2.0
301.06052	6.3
302.06241	9.2
303.06955	1.8
311.15524	1.6
330.06985	2.1
331.07083	2.1
332.07159	10.8
342.09381	2.0
416.09521	2.0
434.10236	5.0
452.11255	14.7
452.31979	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	452.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	1.7
53.03925	2.2
55.01852	2.7
55.05490	3.3
57.03413	2.4
58.84722	0.4
59.04980	1.1
60.47804	0.4
61.02885	0.7
65.03923	0.5
67.05488	4.9
69.03401	7.6
69.07051	4.5
71.04964	20.2
71.05347	0.9
73.02895	1.1
79.05465	21.4
80.05801	0.4
81.03391	4.9
81.07027	100.0
83.04951	7.8
83.08602	1.7
85.02878	13.3
85.06528	2.3
87.00806	3.6
89.05998	1.0
89.82075	0.4
91.05455	4.5
93.07014	13.3
95.04929	2.3
95.08575	6.6
97.02840	3.8
97.06491	4.4
98.06812	0.6
99.04433	2.0
99.08042	1.0
103.31961	0.5
104.96982	0.4
105.01858	2.5
105.06998	7.9
106.07303	0.5
107.08562	10.5
109.02869	3.3
109.06491	1.8
109.10118	8.3
109.14687	0.4
111.08098	1.8
113.05952	0.6
117.07033	0.6
119.08509	5.3
121.06520	0.6
121.10096	9.1
123.08055	1.0
123.11633	6.6
125.09605	2.5
127.03847	4.7
127.11175	1.8
129.01820	0.5
131.08575	2.4
133.10080	11.3
133.49750	0.4
135.07994	0.6
135.11690	1.0
137.09619	1.9
139.11151	3.0
143.10605	0.9
145.04932	1.8
145.10109	2.8
145.74652	0.5
147.11655	2.3
149.09596	2.0
149.13242	0.9
151.11136	9.1
153.09161	0.5
159.02890	1.9
159.11647	2.8
161.13225	0.8
163.03886	0.9
163.11192	0.8
164.04317	1.0
169.06410	0.7
169.12180	50.7
170.06715	1.0
173.02332	0.5
173.13246	0.5
174.02617	0.5
175.03821	0.8
175.14807	1.0
176.04333	0.5
187.13217	5.7
189.16362	0.6
198.06401	0.6
200.04576	0.5
201.04967	1.0
201.16345	2.0
215.06979	2.7
216.07300	3.4
219.17343	5.4
235.16988	0.6
236.17264	0.6
236.23735	0.8
237.18457	4.1
254.24661	1.9
255.15840	0.7
259.09586	1.0
260.10022	2.9
290.26791	0.7
452.21594	0.5
452.32181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	3.1
55.93502	14.7
56.96552	2.8
57.03419	57.9
61.02903	16.0
69.03401	61.1
70.06559	15.2
71.01330	5.0
72.93752	2.8
73.02882	93.2
81.03396	12.1
85.02872	74.7
87.04433	23.7
91.05456	3.0
96.04465	3.2
97.02863	58.1
109.02851	100.0
111.04443	2.5
112.07562	9.2
113.50247	2.4
115.03905	42.6
119.04915	11.3
123.04388	4.9
123.96462	2.4
127.03890	15.6
133.02783	5.5
133.04924	24.6
141.05423	64.0
145.04924	13.1
147.04356	32.0
150.07552	4.7
153.05371	10.5
158.08035	5.7
158.97389	2.6
163.03850	3.0
163.05815	3.1
165.05443	10.0
174.98404	2.4
175.03891	2.5
177.05424	12.3
192.04012	2.5
203.06828	2.7
209.99864	3.1
211.00519	4.5
219.06471	3.7
237.07556	9.6
241.38286	2.8
243.79137	2.3
267.08578	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	452.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01851	9.6
55.05488	8.7
57.03413	4.8
59.04688	1.1
59.04980	28.1
61.02877	1.0
65.03896	0.9
65.82712	0.6
67.05476	11.3
69.03404	15.5
69.07039	6.0
69.32432	0.6
70.06539	1.0
71.04961	13.5
73.02905	1.2
79.05457	12.2
81.03371	5.8
81.07021	48.2
82.07359	0.7
83.04960	5.5
83.08593	7.0
85.02869	16.3
85.06490	1.3
86.82179	0.7
87.00792	6.4
87.04438	14.0
89.05999	1.3
91.05447	22.5
93.07004	100.0
94.07341	0.9
95.04922	11.0
95.08561	13.7
96.05214	1.0
97.02858	13.0
97.06485	14.2
98.06851	3.3
98.09679	1.1
99.04411	3.5
101.05994	0.8
105.01826	1.3
105.04485	1.0
105.06992	28.9
106.07311	0.9
107.04918	3.5
107.07838	1.0
107.08549	20.6
109.02841	5.0
109.06469	9.7
109.10106	12.6
111.04398	1.7
111.08041	52.3
117.06964	1.8
119.04917	4.2
119.08526	8.5
121.06447	1.5
121.10097	14.3
123.04375	11.4
123.08024	4.6
123.11659	18.5
125.09586	3.3
127.03848	8.8
127.07516	1.2
127.11157	3.1
129.05444	0.9
131.08530	4.8
133.10077	26.2
135.04378	5.0
135.08014	0.8
135.11707	2.8
137.02315	6.7
137.03157	0.7
137.09615	1.9
137.13222	0.7
139.07414	1.1
139.11122	1.3
141.06917	1.7
142.07248	0.7
143.08556	0.9
143.10583	1.4
145.02733	0.8
145.04875	3.5
145.10042	5.7
146.06894	0.9
147.04355	16.4
147.11664	3.8
148.11940	1.4
149.09589	3.3
149.13217	4.2
150.87779	0.8
151.11119	30.9
157.10072	1.5
159.11642	4.5
160.08478	0.7
161.05923	1.5
161.13249	1.2
163.03831	13.2
164.04198	1.0
165.05434	1.9
167.14285	3.1
169.06439	3.1
169.12155	37.9
170.06772	2.8
173.02335	0.9
173.06007	0.9
175.03874	1.7
175.07375	0.9
175.14758	1.5
177.03464	0.7
187.07510	1.5
187.13245	19.1
189.05383	2.9
190.05701	1.3
191.03331	23.1
196.08260	1.4
197.05920	1.2
198.06239	1.5
200.04573	1.6
201.05037	1.8
201.16260	6.0
204.10179	5.1
214.09372	3.1
215.06963	7.1
216.07359	8.2
218.08928	1.3
218.16223	0.8
219.13777	3.8
219.17366	10.0
235.13388	1.2
236.17308	1.0
236.23576	0.8
237.14760	1.4
237.18422	7.5
255.15717	1.7
255.19432	1.3
259.09534	7.9
260.09897	11.4
273.20578	1.0
289.05936	0.9
290.26917	1.0
301.06958	3.4
313.07062	0.9
320.77756	0.8
320.97748	0.8
343.07922	3.4
452.25580	1.3
452.32004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80984	1.3
55.01858	1.3
55.05499	19.4
57.07051	6.2
57.11975	1.1
59.04974	1.8
61.31690	1.2
62.93179	1.1
67.05477	21.2
69.03396	1.8
69.07036	25.6
71.04960	1.4
79.05459	18.3
81.07027	29.4
83.04926	2.1
83.08588	13.7
89.24674	1.4
91.05441	20.8
91.78290	1.4
92.23425	1.4
93.07005	63.4
95.08571	54.9
97.06504	2.2
97.10095	2.2
105.06992	38.6
107.08558	78.9
109.06493	6.1
109.10121	33.8
111.08052	2.4
117.06990	8.9
119.08542	100.0
119.09402	3.3
121.06439	5.9
121.10094	60.5
123.08009	1.9
123.11657	13.1
125.09507	1.5
129.06964	7.9
130.07730	2.4
131.08524	41.0
132.19495	1.7
133.10085	42.5
135.08005	12.6
135.11644	45.3
137.09572	5.3
137.13246	2.3
142.07722	6.1
143.08513	20.9
144.09305	3.5
145.10078	87.3
147.11639	22.9
149.09592	2.6
149.13210	19.3
151.11142	5.9
155.08498	6.2
156.09302	10.2
157.10066	35.1
158.10855	6.8
159.11642	47.4
161.09576	2.8
161.13171	15.3
163.07474	8.0
163.11116	25.8
163.14806	7.6
169.10091	9.6
170.10818	13.5
171.11632	23.4
172.12431	2.6
173.13184	41.6
175.14757	22.8
177.12697	8.9
177.16299	10.2
179.14386	2.4
181.10057	1.9
183.11577	12.8
185.13187	19.9
187.14763	66.1
189.16313	14.3
191.17851	5.9
197.13214	8.5
198.13809	1.5
199.14761	31.8
201.12646	2.4
201.16302	39.3
203.14175	2.6
203.17934	8.3
205.15826	18.5
207.17471	2.1
211.14738	6.4
213.16307	9.4
215.14381	2.1
215.17902	9.8
219.17403	2.3
223.14705	1.7
225.16206	2.9
227.14113	1.9
227.17928	2.9
233.18947	3.1
237.16418	2.3
239.17894	1.9
245.15254	5.6
246.40300	1.5
387.30045	1.7
389.31665	2.2
405.31232	23.4
407.33298	13.1
433.31003	7.5
451.31949	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	451.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23714	1.5
53.78239	1.8
55.05489	17.5
57.07041	2.8
60.57817	1.5
67.05489	21.0
69.07040	23.7
72.84701	1.9
72.91141	1.7
79.05462	22.3
81.07027	47.0
83.04945	9.4
83.08574	8.5
85.06508	2.4
91.05444	22.6
92.08736	2.3
93.07009	53.4
95.08571	90.3
97.06488	9.5
101.05978	7.3
105.06996	61.0
107.08559	80.3
109.06533	2.3
109.10131	39.3
111.08004	2.6
117.06966	12.9
119.08546	96.8
121.10113	64.5
123.08017	7.6
123.11655	13.3
125.09545	3.0
129.06969	8.8
130.07742	4.0
131.08521	39.9
133.10089	51.8
135.08002	50.0
135.11641	35.0
137.09598	4.2
137.13245	3.3
142.07689	4.6
143.08574	17.6
144.09329	4.0
145.10078	100.0
145.11223	3.2
147.08006	3.3
147.11627	29.4
149.09589	10.9
149.13191	23.5
151.11130	2.1
153.08981	2.6
155.08452	2.3
156.09273	4.1
157.10101	40.7
158.10832	8.4
159.08009	4.4
159.11633	70.2
161.09578	10.5
161.13211	24.6
163.11165	7.1
163.14755	15.5
169.10121	10.0
171.11624	26.3
173.09578	3.3
173.13190	66.7
175.11118	12.3
175.14758	43.9
177.12764	3.0
177.16286	3.4
179.10548	1.9
181.10059	3.3
182.10895	2.2
183.11624	27.9
185.13208	23.8
186.13747	2.3
187.11137	3.9
187.14775	63.0
189.12718	4.3
189.16301	17.0
191.14255	9.6
195.11649	3.4
197.13199	9.5
199.14771	25.3
201.12695	29.7
201.16324	74.6
203.14165	16.4
203.17917	3.8
205.15837	12.8
209.13403	2.4
209.15213	1.9
211.14809	11.0
213.16263	12.1
215.17905	2.3
217.15825	4.3
219.17400	3.5
221.15277	23.4
225.16310	8.6
227.14172	2.5
227.17871	3.9
229.15752	3.3
229.19432	3.3
231.17383	3.2
237.16402	2.1
239.17854	9.0
241.15781	12.4
241.19226	3.0
251.17987	7.5
253.19353	2.4
269.18915	3.6
269.48007	2.0
277.12790	1.9
283.20319	2.4
309.22128	2.1
321.25601	19.1
387.30316	3.6
405.31375	52.2
423.32394	77.1
433.30731	9.1
451.13104	2.5
451.31961	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90202	1.4
54.80745	1.6
55.05499	22.8
57.07049	2.9
61.98979	1.6
67.05480	27.2
69.07040	21.0
79.05463	22.9
81.07022	60.4
83.04950	100.0
83.08591	6.7
87.20803	1.9
87.62704	1.6
91.05444	23.0
93.07005	55.8
95.04924	17.0
95.08560	55.2
97.06483	3.6
105.06994	57.8
106.68120	1.8
107.08556	76.2
109.06478	13.6
109.10117	29.3
111.08043	3.1
117.06944	14.9
119.08537	70.2
121.10097	40.4
123.08007	7.6
123.11638	10.8
125.09595	7.0
127.07581	3.1
129.06969	10.8
131.08508	32.5
133.10071	42.3
135.11644	17.1
137.09520	2.8
141.06987	2.0
142.07768	2.6
143.08521	23.0
144.09290	6.8
145.10078	53.0
147.08043	2.0
147.11627	33.7
149.09598	2.5
149.13214	9.5
151.11163	2.3
155.08502	3.8
156.09370	2.9
157.10069	29.0
158.10889	2.3
159.07945	1.9
159.11639	51.4
161.13205	35.0
163.14774	7.3
169.10052	13.5
170.10823	2.6
171.11633	24.0
173.13211	24.1
175.14742	28.9
177.09053	2.1
177.16307	8.7
183.11642	16.0
185.13161	26.3
187.14763	21.8
189.16365	8.1
191.17863	2.2
195.11658	3.9
196.12376	2.1
197.13179	11.5
199.14742	22.2
201.16306	26.2
203.14182	2.7
205.15881	3.7
207.11662	2.0
209.13179	2.9
211.14742	8.2
213.16293	25.4
215.07133	2.2
215.14203	2.0
215.17931	2.4
217.15866	4.0
219.13640	2.0
219.17326	2.8
223.14758	2.5
225.16272	7.8
227.17824	3.3
231.13834	2.8
231.17413	2.6
237.16359	2.1
239.17853	7.3
241.19440	7.0
247.16817	2.4
251.17865	3.8
253.19441	3.0
259.09460	3.4
259.16821	4.0
267.20963	2.3
281.22421	1.8
299.19916	2.2
347.27194	7.5
393.27747	15.3
405.31345	21.2
423.32544	1.8
433.30814	11.8
451.31934	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	451.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01856	1.1
55.05495	13.8
57.07049	1.8
60.54721	0.8
67.05479	14.9
69.03410	1.5
69.07043	10.9
79.05458	12.4
80.26218	0.9
81.07024	34.4
83.04468	2.0
83.04948	53.0
83.08596	4.8
88.02217	1.2
91.05444	19.4
93.07012	30.0
95.04946	10.8
95.08567	42.6
97.06494	6.0
97.10132	1.0
103.95893	0.9
105.06994	30.9
107.08556	44.8
109.06493	5.5
109.10118	18.0
111.08029	1.4
117.06982	6.3
119.08535	100.0
121.10098	21.5
123.04383	2.2
123.08036	4.4
123.11676	8.8
125.09582	4.6
129.06958	4.0
130.07748	1.5
131.08513	18.7
133.10095	30.0
135.11647	18.3
137.05956	1.3
137.09523	1.3
137.13216	2.0
142.07747	3.5
143.08502	6.9
144.09306	4.6
145.10075	42.9
147.11630	15.4
149.05916	1.0
149.09535	1.3
149.13208	8.1
151.11168	2.3
155.08530	1.1
156.09268	3.7
157.10063	12.9
158.10847	3.8
159.08000	1.3
159.11642	36.0
161.13191	13.9
163.03845	1.9
163.07492	5.7
163.14746	5.2
169.10023	6.9
170.10854	1.8
171.11613	12.9
173.02319	1.5
173.13181	29.4
175.14728	10.4
177.16316	1.4
183.11650	5.5
185.09685	1.0
185.13228	8.5
185.14594	1.2
187.14735	12.2
189.16310	2.2
195.11674	1.6
197.13187	4.2
199.14812	8.4
201.16275	10.3
205.15895	1.5
209.13167	3.5
211.14749	5.8
213.16293	12.3
215.07051	1.3
215.14328	1.5
215.17984	1.8
223.14842	1.5
229.15738	1.2
231.17369	1.4
233.15256	1.3
237.16359	1.1
239.17896	1.7
241.19492	1.1
248.18091	1.0
253.19516	1.2
257.15265	7.1
259.09613	4.0
259.16830	1.6
263.17935	1.1
267.21002	1.1
311.19791	1.3
323.27240	1.1
347.27280	4.2
349.28775	1.6
355.26205	1.3
368.19708	1.2
369.27896	3.8
387.30237	1.5
389.31940	1.3
393.27795	8.4
405.31363	6.5
407.32928	5.2
421.30740	1.9
433.30713	4.8
451.09802	4.5
451.26370	1.6
451.32007	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	451.3197
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05502	6.9
57.07050	1.4
59.03145	0.8
59.30241	0.7
67.05485	8.7
69.07049	9.5
71.04970	1.5
76.77181	0.8
79.05457	6.6
80.48972	0.8
81.07026	23.3
83.08603	3.8
85.06528	0.9
85.11508	0.7
91.05445	9.3
93.07008	14.5
95.08571	26.9
97.06509	1.1
97.10118	1.1
98.98457	0.9
103.65984	0.8
105.07001	29.2
107.08566	24.1
109.10122	11.3
115.53281	0.7
117.06980	4.7
119.08549	31.7
121.10103	13.7
123.11682	1.5
123.89562	0.7
129.06963	7.4
131.08530	17.5
133.10098	18.4
135.11679	5.1
141.06996	1.3
142.07790	1.7
143.08505	12.5
145.10081	22.5
147.08095	0.9
147.11646	10.2
149.13239	8.3
153.09055	0.9
155.08508	8.9
156.09302	1.8
157.10059	14.7
158.10915	0.9
159.11633	12.2
161.13181	10.2
163.07402	1.1
163.14818	5.6
169.10088	12.9
170.10762	0.9
171.11594	10.1
173.13196	12.8
175.14761	24.7
177.16335	6.8
181.10098	4.5
181.12283	0.8
182.10818	1.1
183.11653	10.5
184.12436	1.0
185.13193	5.0
187.14752	8.9
189.16335	4.7
192.39432	0.8
193.10074	1.6
193.15851	1.2
195.11644	5.3
197.13177	9.4
199.14734	10.0
201.16278	12.3
207.11751	1.9
209.13210	6.3
211.14784	7.6
213.16315	13.5
215.14233	1.1
215.17923	3.7
217.15811	1.3
220.12294	0.9
221.13191	3.6
223.14705	6.6
224.16040	0.8
225.16367	5.0
227.17917	4.7
229.15814	1.6
231.17415	1.1
235.14807	3.7
237.16388	3.1
239.17935	4.8
247.16862	1.2
249.16231	1.8
251.17848	1.9
253.19319	1.5
261.16492	1.0
263.17804	2.9
265.19519	4.7
277.19580	1.7
279.20978	3.1
285.18506	0.9
291.20844	6.7
293.22537	5.0
295.24335	2.5
309.22079	4.1
317.22586	4.5
319.24387	1.3
325.21503	1.1
331.24252	1.4
339.23093	12.6
351.22858	1.0
387.30313	15.0
389.32092	0.9
405.31448	22.2
407.33328	1.1
433.30917	29.4
448.97595	0.8
451.31927	100.0
452.32379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.3
55.05494	16.7
55.25550	1.1
57.07048	8.5
58.69043	1.1
59.04967	1.3
64.40794	1.4
67.05473	21.7
69.03405	1.2
69.07035	26.8
79.05469	18.6
81.07023	38.8
83.04951	6.2
83.08578	11.1
85.06503	2.7
91.05440	27.6
93.07001	48.6
95.04918	3.0
95.08567	56.7
97.06493	9.0
97.10126	2.8
105.06992	49.5
107.04908	2.0
107.08559	82.5
109.06483	3.3
109.10118	28.8
111.08028	7.2
111.11757	1.4
117.06991	14.8
119.08537	100.0
121.06499	3.1
121.10098	60.1
123.08022	2.0
123.11649	13.9
129.06955	6.5
130.07805	2.5
131.08508	42.0
132.19579	1.5
133.10091	48.6
135.08009	5.6
135.11641	27.5
137.09601	2.5
137.13223	3.2
142.07773	7.7
143.08510	23.1
144.09253	6.9
145.10077	82.4
147.08026	2.2
147.11661	23.9
149.09549	2.0
149.13246	13.5
151.07523	1.7
154.53734	1.3
155.08498	7.2
156.09296	8.3
157.10078	41.0
158.10840	6.5
159.08051	1.7
159.11627	50.9
161.09531	2.3
161.13187	19.6
163.07520	6.1
163.11156	12.9
163.14766	7.2
165.12755	1.3
167.08409	2.2
168.09296	1.6
169.10033	11.5
170.10840	5.5
171.11594	26.5
172.12358	2.1
173.09456	2.2
173.13197	33.2
175.14755	39.5
177.12691	2.0
177.16333	27.7
181.10062	3.0
183.11584	10.6
184.12433	1.9
185.13208	22.2
187.14771	40.1
189.16335	19.5
191.17874	6.4
193.09882	1.4
195.11633	6.2
196.12335	2.0
197.13231	7.7
199.14742	33.0
201.12663	1.5
201.16318	37.5
203.14197	3.3
203.17831	7.2
205.15816	58.0
208.12361	1.7
209.13208	7.0
211.14709	9.9
213.16289	11.5
215.06911	2.5
215.14351	2.2
215.17880	6.9
217.15819	3.1
219.13818	1.5
219.17389	5.7
223.14880	2.7
225.16249	2.8
227.17853	2.3
233.15283	2.5
237.16371	1.6
239.17786	6.6
241.19482	8.0
245.15231	7.0
251.17812	1.8
253.19385	7.3
259.09561	5.3
259.20450	1.6
265.19336	2.9
267.21078	3.0
277.19522	1.9
387.30115	2.2
405.31372	30.7
407.32782	5.3
421.30994	1.7
433.31046	11.4
451.26306	2.6
451.31955	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	451.3199
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03928	2.4
55.05490	19.6
57.03397	1.7
57.07053	2.4
58.55973	1.0
67.05480	24.5
69.03410	2.1
69.07044	23.7
70.93556	1.2
71.04947	1.4
71.08624	1.3
79.05462	28.5
81.06550	2.4
81.07021	45.6
83.04951	6.9
83.08585	9.0
83.31874	1.3
91.05437	34.2
93.07008	52.3
95.04932	17.0
95.08572	63.0
97.06499	5.8
97.10126	3.1
105.06286	2.6
105.06995	72.2
107.08559	100.0
109.06487	8.0
109.10130	28.7
111.08048	5.6
115.05384	2.3
117.06966	11.2
119.06036	1.8
119.08539	89.9
121.10107	32.1
123.08045	7.9
123.11652	8.5
125.05950	1.4
125.09580	20.0
126.88511	1.8
128.06171	2.4
129.06952	9.0
130.07753	1.9
131.08511	44.6
133.10086	58.8
133.11067	2.9
135.11623	14.6
137.09601	5.3
137.13174	1.8
142.07770	6.0
143.08510	20.3
144.09274	2.3
145.10080	66.9
147.08086	1.8
147.11630	35.7
149.13239	9.4
151.11143	2.4
153.09003	2.0
155.08493	6.1
156.09286	7.9
157.10065	34.4
158.10872	2.8
159.11624	40.4
161.09630	2.5
161.13214	22.3
163.14783	7.7
169.10036	13.0
170.10858	5.5
171.11646	23.2
172.12434	1.5
173.09554	2.5
173.13188	42.9
174.83104	1.5
175.07419	1.9
175.11072	2.7
175.14754	23.8
177.09091	1.8
177.12704	2.2
177.16348	5.5
181.10146	2.6
182.10916	1.6
183.11621	8.8
184.12440	2.6
185.13179	19.5
186.13995	1.9
187.13100	2.1
187.14754	36.8
189.16356	16.7
195.11658	6.7
196.12318	1.6
197.13211	10.7
198.13950	2.3
199.14752	30.7
201.12709	2.5
201.16313	51.5
203.14287	8.7
203.17879	18.0
204.18161	1.5
205.15820	6.7
209.13254	7.3
211.14738	8.5
213.12752	1.8
213.16304	27.2
213.18156	1.5
215.17921	7.3
217.12244	2.0
217.15875	7.2
221.13182	1.6
223.14764	3.3
225.16327	7.5
227.17882	10.5
229.15894	3.1
229.19603	1.6
231.13664	1.4
231.17334	2.8
237.16316	2.9
239.17867	8.6
241.19443	8.8
243.17389	2.0
245.15323	5.9
247.16801	6.2
251.17827	5.1
253.19450	8.8
259.16879	3.3
265.19397	1.8
267.21024	5.6
279.20956	5.0
281.22589	1.7
285.18515	1.8
295.24033	1.8
299.19882	2.4
387.30255	8.8
393.27664	2.8
405.31393	44.2
407.32938	8.3
423.32422	6.6
433.30829	18.9
437.77414	1.9
442.81821	1.6
451.31955	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32351	1.1
53.03919	1.8
55.05492	24.0
57.03410	2.0
57.07051	3.2
59.04963	1.9
65.03896	2.3
67.05479	28.8
68.10470	1.3
69.03382	2.2
69.07034	20.7
71.04951	1.1
73.68147	1.2
79.05462	24.6
81.07024	53.8
83.04950	36.6
83.08582	11.1
85.02878	1.2
91.05441	38.7
92.09274	2.0
93.07005	59.5
95.04935	13.6
95.08563	71.4
97.06477	6.5
105.06989	71.9
107.08556	100.0
109.06445	10.5
109.10120	33.0
111.08051	6.5
115.05379	1.5
117.06998	14.6
119.08533	98.5
121.02852	2.3
121.06389	2.2
121.10091	42.5
123.08027	10.5
123.11648	15.6
125.05874	1.6
125.09573	19.1
128.06172	2.3
129.06947	5.9
130.07736	1.8
131.08507	38.1
133.10081	58.1
135.04306	1.5
135.07999	1.9
135.11644	19.8
137.09579	6.6
142.07701	5.1
143.08496	22.8
144.09271	2.8
145.10069	74.9
147.11632	36.3
149.09581	2.2
149.13208	12.5
153.09061	1.7
155.08430	8.3
156.09277	7.0
157.10062	34.3
158.10803	3.0
159.11627	46.6
161.09514	2.4
161.13165	19.0
163.03816	6.8
163.07469	3.0
163.11197	1.7
163.14751	8.4
169.10025	16.1
170.10782	2.4
171.11606	28.0
173.13185	38.0
175.11212	2.1
175.14760	33.8
177.09074	1.9
177.12611	1.7
177.16321	8.2
179.86581	1.4
181.10048	6.3
182.10725	1.5
183.11668	12.4
184.12358	2.5
185.13190	19.1
187.14763	27.7
189.16249	11.2
191.14290	2.2
191.17873	1.6
193.10069	1.8
195.11632	8.1
196.12471	1.4
197.13177	11.1
199.14754	35.0
199.37880	1.3
201.16318	35.1
203.14221	3.0
203.17880	6.2
203.69383	1.4
205.15868	6.0
207.11664	2.7
209.13181	6.3
211.14754	13.9
213.12814	1.4
213.16302	27.5
215.07071	1.6
215.14134	2.3
215.17892	7.6
217.15811	7.6
219.11530	1.6
219.13794	1.5
221.13174	1.5
223.14693	6.9
225.16278	8.6
227.17906	12.2
229.15739	2.2
229.19420	2.3
231.17375	6.5
237.16280	2.5
239.17874	11.3
241.19397	12.5
243.17462	1.6
245.15224	7.1
247.16830	3.0
251.17812	2.9
253.19354	11.5
259.16840	6.0
265.19580	1.8
267.20862	6.1
277.19370	1.6
279.21063	2.0
281.22452	2.0
285.18295	1.8
291.20734	3.0
299.19974	1.8
305.22424	2.0
341.24139	1.7
347.27206	7.8
387.30148	4.9
393.27649	17.5
405.31372	44.0
407.33493	2.1
433.30893	17.0
451.31915	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.6
53.03925	1.5
55.01853	12.8
55.05489	12.2
57.03417	6.9
57.07047	2.0
59.04979	5.6
61.02903	8.0
61.15010	0.9
65.03918	1.7
67.05474	15.4
68.99776	1.1
69.03404	14.6
69.07040	21.2
71.04961	33.3
73.02903	0.9
73.06508	1.3
73.99387	0.9
79.05453	17.0
81.03385	1.9
81.07022	41.3
81.68419	0.9
82.07352	1.5
83.04947	27.0
83.08587	7.6
85.02869	21.5
85.06503	7.6
86.09691	1.0
87.04427	6.9
89.03873	1.8
91.05427	11.9
92.09426	1.8
93.07005	42.0
94.07340	2.4
95.04924	16.2
95.08566	30.4
97.02844	6.6
97.06489	50.6
99.04371	2.5
99.08041	5.0
101.05961	1.6
103.05416	2.1
103.97128	0.9
105.03333	1.1
105.05482	4.9
105.06986	24.8
107.04912	1.9
107.08550	29.9
107.09220	1.7
109.02879	1.2
109.06463	9.7
109.10117	33.7
111.04385	7.1
111.08040	5.2
113.05962	13.1
115.05418	2.4
115.92226	0.9
116.06110	1.1
117.03322	2.0
117.06980	2.3
119.04887	4.6
119.08533	20.0
121.06464	2.2
121.10081	25.7
122.10364	1.1
123.04352	7.3
123.08024	7.7
123.11646	9.6
125.05902	1.4
125.09558	8.4
127.03880	2.4
127.07521	1.2
127.11137	17.9
129.06941	4.3
131.04904	4.4
131.06976	2.3
131.08534	15.4
133.10089	16.3
135.04376	11.2
135.08017	1.9
135.11647	4.3
137.02261	2.0
137.09560	27.4
139.03831	4.4
139.07494	1.5
139.11095	1.3
141.06937	20.1
142.07701	1.4
143.08542	2.2
143.10635	4.7
144.05652	2.4
145.02843	1.5
145.04898	1.4
145.06429	5.6
145.10080	11.7
147.04356	9.4
147.11636	16.1
149.02275	1.6
149.09547	19.0
149.13220	12.6
151.11102	1.9
152.06065	1.0
155.10622	11.1
157.06403	2.0
157.10034	4.3
159.04355	10.9
159.08012	8.8
159.11629	3.8
161.02289	12.4
161.05913	8.6
161.09616	1.5
161.13226	1.1
163.03819	24.9
163.11191	5.0
165.12692	6.0
167.08501	2.1
167.10600	6.7
167.14247	17.0
169.06404	45.9
169.12169	1.8
170.06985	1.1
171.08008	2.0
171.11555	1.2
173.02271	20.3
173.05894	8.7
173.13242	1.3
173.94389	1.1
175.03838	21.5
175.07486	2.5
175.11023	1.5
175.14761	4.6
179.03305	4.6
181.06355	1.0
185.05887	3.6
185.09634	1.2
187.03873	2.1
187.07471	33.3
189.05376	7.9
189.09045	2.2
189.16322	5.2
191.03314	5.5
191.07027	1.7
195.07974	5.9
197.05891	35.5
197.07579	1.6
198.06657	6.0
199.07442	2.1
199.13164	2.2
199.14830	2.6
200.04607	43.4
201.05122	2.1
203.03438	2.0
205.15807	4.6
213.05345	1.8
213.08989	5.1
215.06950	100.0
217.08504	9.0
217.15839	11.4
221.15108	1.0
223.16782	7.4
231.10072	1.2
235.16801	23.4
236.17216	2.4
241.08510	6.3
253.17873	25.9
259.09540	95.2
260.09692	2.1
271.05820	7.8
271.18954	28.0
287.05392	1.5
289.06476	4.6
289.19955	5.1
313.07156	1.9
461.38538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.6
54.80917	0.4
55.01840	2.1
58.31351	0.3
67.05465	1.8
69.03383	0.4
69.07041	20.6
73.12278	0.4
79.05454	5.6
83.04951	1.4
84.35822	0.4
89.03873	6.0
95.04923	0.9
97.06493	22.9
98.44742	0.4
100.61057	0.4
107.04942	3.1
117.03342	10.8
133.02829	1.0
134.03601	3.8
135.04370	21.8
135.05400	0.7
141.23334	0.4
145.02797	19.6
145.03920	0.8
161.02318	0.7
162.03130	0.8
163.03844	100.0
191.03383	0.5
217.04872	3.3
241.08432	0.7
259.09555	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	451.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99066	4.1
53.00287	6.1
53.03911	6.4
53.86446	3.8
55.01852	7.1
55.05496	25.2
59.89624	4.1
65.37958	4.7
67.05476	46.1
69.03417	48.4
69.07033	40.6
71.04961	29.0
71.77076	4.7
75.39744	4.9
79.05454	33.2
81.03380	25.0
81.07038	68.2
83.04925	19.9
85.02871	24.7
85.97211	4.8
87.00802	8.0
91.05447	45.9
91.83501	4.4
93.07002	62.1
95.04942	10.1
95.08569	73.0
97.02847	12.7
97.06490	35.7
103.05462	4.7
105.07005	94.4
107.08562	58.6
109.06457	7.4
109.10117	54.9
111.04389	11.2
117.06967	19.2
119.08554	100.0
121.06498	6.9
121.10110	35.0
123.11674	6.8
127.03862	9.9
128.06126	5.3
128.29390	4.8
129.06953	11.6
131.08517	33.7
133.10098	47.8
135.07967	9.7
135.11661	9.0
142.07710	12.0
143.08490	40.8
145.02824	8.7
145.06497	5.9
145.10089	65.7
147.11652	29.8
149.09581	5.9
149.13268	7.9
151.07460	8.2
155.08502	11.5
157.10091	32.8
159.11589	54.8
161.13261	10.8
163.03865	21.3
168.62590	5.6
169.10126	24.0
171.11639	24.3
171.64568	5.2
173.13194	23.8
175.11118	7.9
175.14749	7.4
183.11632	19.1
185.13239	10.9
187.14694	10.8
197.13171	7.8
199.14677	7.4
201.16280	11.3
213.16287	9.0
215.07036	9.0
215.17865	6.6
259.09506	43.7
311.20105	16.6
320.57101	5.4
329.21259	6.0
405.31082	7.3
451.22696	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	451.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.3
55.05496	8.0
57.03418	1.4
57.36171	0.5
65.03919	1.1
67.05473	3.9
69.03398	0.9
69.07039	12.1
71.04953	0.8
79.05452	7.5
79.25790	0.7
81.07010	2.5
83.04945	7.4
85.02876	1.0
86.09625	0.5
86.66560	0.6
86.85197	0.5
89.03871	3.1
91.05444	3.5
93.03336	1.0
93.06990	1.1
95.04925	2.4
95.07834	0.6
95.08562	1.0
97.06491	38.4
105.03354	4.2
105.07009	1.1
107.04926	1.4
111.04398	2.9
115.05396	1.0
117.03327	5.9
119.04896	3.0
120.02034	1.3
123.04379	3.1
128.06180	0.7
129.06985	1.0
131.04910	1.3
133.02802	10.4
134.03627	0.6
135.04364	10.6
136.12062	0.6
139.03908	0.8
141.06949	0.6
142.07773	1.0
142.31937	0.7
143.04860	0.9
145.02785	7.8
145.06400	0.9
147.04373	15.8
152.06136	4.1
153.06956	1.2
157.06305	0.8
157.10124	0.8
159.04369	4.9
161.02292	18.4
161.05905	1.3
163.03839	44.5
165.06909	1.1
167.08485	8.1
169.06421	0.8
170.07216	0.8
171.04353	3.6
171.08002	0.8
173.02278	13.8
173.05911	2.9
175.03857	15.3
176.01054	0.6
177.05476	1.1
177.06992	2.5
179.03343	8.5
181.06392	3.0
184.05115	1.3
185.05890	3.9
185.09512	3.5
187.03816	4.6
187.07440	0.9
189.01727	20.5
189.03401	0.9
189.05396	6.0
191.03305	3.3
193.04904	23.6
195.07983	10.1
197.05927	3.1
198.06657	2.5
199.03760	5.7
199.07510	2.5
200.04599	1.0
201.05388	0.7
203.03424	0.9
203.06978	1.1
205.04871	3.4
205.06572	4.7
207.02815	100.0
211.07388	0.8
213.05411	0.8
213.09033	5.1
215.06978	14.3
217.04907	11.1
223.07451	3.6
226.06085	1.0
229.08620	0.9
231.10008	2.3
241.08525	13.4
259.09549	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	451.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84430	0.4
53.00283	0.7
54.80305	0.4
55.01855	3.0
55.05478	0.4
57.18248	0.3
58.38579	0.3
63.02337	0.5
64.92616	0.4
65.26053	0.4
67.05474	3.4
68.60638	0.4
69.03394	1.6
69.07040	20.4
70.49564	0.3
76.50420	0.4
79.05460	13.2
81.07036	0.6
83.04936	2.1
89.03875	5.5
90.90558	0.4
95.04924	1.9
95.08529	0.4
97.06493	58.3
99.88979	0.4
105.07014	0.6
107.04929	3.3
109.10120	0.4
111.04461	0.4
117.03337	10.7
133.02759	0.7
134.03574	7.8
135.04367	20.2
142.54167	0.4
145.02803	18.7
145.03955	0.7
148.31099	0.4
159.04362	0.6
161.02280	2.6
162.03096	0.8
163.03841	100.0
173.02277	9.0
191.03246	0.5
195.07953	0.4
215.06914	9.8
217.04820	0.8
241.08566	0.5
250.88391	0.4
259.09549	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	451.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93097	0.4
53.00260	0.5
53.03919	0.7
55.01840	3.1
55.05487	2.8
57.03405	1.4
60.07176	0.5
65.03889	1.3
65.35241	0.5
67.05474	10.2
69.03387	2.8
69.07040	6.2
70.06557	1.3
71.01310	3.3
71.04948	3.0
75.24213	0.6
76.63074	0.5
79.05467	4.9
80.41724	0.5
81.07011	2.7
83.04945	5.9
84.02660	0.5
85.02854	2.3
85.06532	0.5
86.09675	1.2
87.00788	0.5
91.05433	7.0
93.03347	0.7
93.07001	3.5
95.04925	20.0
95.08543	2.0
97.02843	0.7
97.06490	24.2
99.08035	0.8
103.04256	0.5
103.05416	0.6
105.06972	3.3
107.08540	2.5
109.02797	0.7
109.06503	0.7
109.10120	0.7
111.04399	4.8
115.05380	8.0
117.03321	1.1
117.06973	4.1
119.08514	3.0
121.10068	2.3
123.04356	1.4
128.06171	2.4
129.05386	1.0
129.06958	3.0
131.04834	2.7
131.08502	6.4
133.06465	6.1
133.10002	0.6
135.04366	4.7
139.03908	0.8
141.06932	19.9
142.07771	0.7
143.04846	2.5
143.08510	5.2
144.05603	0.6
145.02785	2.2
145.06436	1.3
147.04355	3.9
147.11575	0.8
149.05916	1.3
149.09521	1.2
152.06163	2.5
153.01781	0.9
157.06369	1.1
157.10089	1.3
159.07982	3.5
160.05130	39.2
161.05913	100.0
161.09444	1.5
163.03836	27.2
165.05363	2.5
165.06825	0.7
167.08496	6.2
167.10625	0.7
169.06403	9.5
171.07930	4.2
173.02296	2.1
173.05902	9.2
174.06729	2.7
175.03831	3.5
175.07448	3.2
176.04599	1.2
183.13681	0.8
184.05132	3.3
185.05888	2.5
185.09535	4.0
187.07463	7.0
189.05412	3.0
189.09030	89.5
195.07979	8.9
197.05849	2.5
199.07454	1.1
201.09016	0.9
202.06190	0.7
203.06946	0.7
203.10524	1.3
205.08516	1.3
206.45886	0.6
207.02829	0.7
209.04407	1.1
213.09018	13.1
215.06921	83.0
215.10461	2.2
216.07480	0.6
217.08528	22.8
223.07555	0.8
231.10071	6.2
233.07985	2.3
235.16803	0.7
241.08531	3.5
249.11127	1.1
259.09534	66.2
277.10672	5.3
287.05460	3.9
288.05756	3.1
289.05930	3.9
336.07022	0.7
394.29999	0.6
423.48514	0.6
451.15973	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
54.81417	0.3
55.01604	0.4
55.01841	3.5
55.05485	0.4
57.03411	0.4
58.76929	0.3
67.05466	2.2
69.03389	0.4
69.07040	24.4
79.05454	7.2
83.04938	2.5
83.98718	0.3
89.03891	6.3
95.04920	0.7
97.06489	20.6
107.04929	3.5
111.04398	0.5
116.69395	0.4
117.03336	10.7
133.02783	0.7
134.03601	5.5
135.04366	23.8
135.05412	0.9
145.02797	20.4
147.04309	0.4
161.02280	2.0
162.03105	1.6
163.03838	100.0
175.03807	0.6
191.03329	0.9
199.03777	0.6
217.04918	3.7
222.15216	0.4
227.24069	0.4
241.08478	2.1
259.09543	59.1
358.02106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74527	0.3
53.03919	0.7
54.02372	0.2
55.01837	1.4
55.05478	0.3
57.03406	1.9
57.62926	0.2
58.24552	0.4
61.02892	2.5
62.66526	0.2
65.87321	0.2
67.01826	3.1
67.05495	0.3
68.99754	2.0
69.03400	6.7
69.07026	0.5
71.04947	0.7
71.32858	0.3
73.02885	0.6
79.05451	1.9
81.03373	3.0
81.07008	0.4
81.14574	0.3
83.01320	0.3
85.02875	14.2
87.04427	0.6
89.03887	2.7
91.03908	0.3
91.05428	0.4
93.03307	0.3
95.04916	0.3
95.08566	0.4
97.02840	5.3
97.06487	4.3
99.04417	0.5
107.04906	2.2
109.02833	1.5
111.00780	2.5
111.04420	1.8
117.03334	6.5
120.08077	0.6
121.02836	1.1
121.10045	0.3
123.04395	4.3
124.07555	0.6
127.03866	2.0
134.05882	0.4
135.03384	0.6
135.04372	14.7
137.02342	0.6
137.05916	0.6
139.03841	1.6
145.02794	13.0
145.04898	1.2
147.04396	0.5
148.07513	1.3
151.03876	1.9
153.01775	100.0
154.02119	0.5
159.04347	1.9
161.02249	0.5
161.05896	1.2
163.03838	69.0
164.04268	0.5
164.06978	5.8
165.01805	1.8
169.06535	0.4
171.02820	6.7
173.02275	1.5
177.01782	0.5
177.05417	0.7
179.03334	6.0
183.02783	0.6
187.03871	2.7
191.03329	0.6
195.02823	3.4
197.05898	0.6
205.04881	1.4
215.06946	3.2
219.02779	0.7
231.02902	0.6
242.17058	0.3
243.14867	0.6
247.05832	0.4
249.03601	0.4
253.04807	0.7
259.09570	5.0
271.05936	1.4
271.14258	1.5
288.05920	0.3
289.06958	87.1
289.15338	5.1
290.07260	0.4
301.06766	1.3
336.58487	0.3
355.07898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1225
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
51.74527	0.3
53.03919	0.7
54.02372	0.2
55.01837	1.4
55.05478	0.3
57.03406	1.9
57.62926	0.2
58.24552	0.4
61.02892	2.5
62.66526	0.2
65.87321	0.2
67.01826	3.1
67.05495	0.3
68.99754	2.0
69.03400	6.7
69.07026	0.5
71.04947	0.7
71.32858	0.3
73.02885	0.6
79.05451	1.9
81.03373	3.0
81.07008	0.4
81.14574	0.3
83.01320	0.3
85.02875	14.2
87.04427	0.6
89.03887	2.7
91.03908	0.3
91.05428	0.4
93.03307	0.3
95.04916	0.3
95.08566	0.4
97.02840	5.3
97.06487	4.3
99.04417	0.5
107.04906	2.2
109.02833	1.5
111.00780	2.5
111.04420	1.8
117.03334	6.5
120.08077	0.6
121.02836	1.1
121.10045	0.3
123.04395	4.3
124.07555	0.6
127.03866	2.0
134.05882	0.4
135.03384	0.6
135.04372	14.7
137.02342	0.6
137.05916	0.6
139.03841	1.6
145.02794	13.0
145.04898	1.2
147.04396	0.5
148.07513	1.3
151.03876	1.9
153.01775	100.0
154.02119	0.5
159.04347	1.9
161.02249	0.5
161.05896	1.2
163.03838	69.0
164.04268	0.5
164.06978	5.8
165.01805	1.8
169.06535	0.4
171.02820	6.7
173.02275	1.5
177.01782	0.5
177.05417	0.7
179.03334	6.0
183.02783	0.6
187.03871	2.7
191.03329	0.6
195.02823	3.4
197.05898	0.6
205.04881	1.4
215.06946	3.2
219.02779	0.7
231.02902	0.6
242.17058	0.3
243.14867	0.6
247.05832	0.4
249.03601	0.4
253.04807	0.7
259.09570	5.0
271.05936	1.4
271.14258	1.5
288.05920	0.3
289.06958	87.1
289.15338	5.1
290.07260	0.4
301.06766	1.3
336.58487	0.3
355.07898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24353	0.2
55.01851	1.1
55.05486	0.4
55.53198	0.2
57.03404	0.9
59.13198	0.2
65.03910	0.2
67.01843	0.3
67.05490	1.5
68.99770	0.3
69.03391	0.8
69.07053	3.7
71.04945	0.2
79.05463	4.0
80.49468	0.2
81.07009	0.8
83.04938	0.4
85.02885	0.3
89.03878	1.0
91.05412	0.3
92.09375	0.4
92.63127	0.2
93.03396	0.2
93.06994	0.9
95.04932	6.9
95.08531	0.8
97.06494	25.8
103.05386	0.2
105.07036	0.3
105.11374	0.2
106.05876	0.2
106.39771	0.2
107.04919	0.3
107.08572	0.4
109.10073	0.3
111.04417	0.8
114.29427	0.2
117.03352	1.4
118.95788	0.2
119.08542	0.3
119.56289	0.2
119.74938	0.2
121.02780	0.8
121.06454	0.3
121.10072	0.2
123.04388	31.6
125.09626	0.2
131.04831	0.3
133.02831	0.3
133.10088	0.3
135.04367	4.1
135.08009	0.2
137.02351	1.6
145.02821	1.8
145.10077	0.2
145.96179	0.2
147.04369	2.2
148.77272	0.2
153.01793	5.0
159.04373	1.5
161.02280	6.4
163.03853	13.2
165.05403	2.9
171.02792	0.3
173.02274	11.3
173.05904	0.3
175.03891	0.3
177.01741	0.3
178.99710	0.3
179.03346	1.5
184.05156	0.3
185.05905	0.5
187.07524	0.3
189.05305	0.3
191.03320	1.0
197.00705	0.4
203.03413	0.3
205.01245	0.4
215.06950	12.0
217.75037	0.2
238.52380	0.2
239.03276	0.3
241.04930	0.2
241.08537	0.3
245.04620	0.3
255.06981	0.2
257.04373	2.7
259.09561	22.6
269.04248	0.3
283.05719	0.2
287.05402	100.0
288.05750	0.9
311.05374	3.2
313.03311	1.8
313.06982	4.8
315.04950	0.3
331.04388	0.2
339.04877	5.9
357.05927	0.4
373.06775	0.2
391.07993	8.4
433.09064	1.5
451.10150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05499	5.5
57.07050	0.7
57.19189	0.6
65.03909	1.2
67.05482	36.2
69.07043	5.5
69.17260	0.6
70.06575	1.0
71.02171	0.6
71.04961	0.8
74.36098	0.6
78.63358	0.6
79.05465	9.3
81.07027	41.7
83.08585	5.7
91.05449	13.3
93.07015	11.6
95.08570	40.3
97.06512	1.1
97.10147	3.4
98.98466	1.0
99.08062	0.9
101.77653	0.6
105.07013	5.4
107.08549	8.0
109.10128	18.9
111.08076	1.5
117.06998	0.8
119.04906	28.5
119.08534	5.4
121.10100	9.4
123.11671	6.5
131.08522	2.8
133.10109	8.9
135.11641	7.3
137.09596	1.6
137.13210	2.5
145.10091	1.2
147.04373	100.0
147.11646	3.7
149.02278	6.6
149.13229	3.5
151.11139	4.5
153.12604	0.6
155.10596	0.8
159.11636	2.9
165.05408	7.7
173.13225	1.4
177.12679	0.7
180.68283	0.7
182.75674	0.7
186.80983	0.9
193.04936	5.0
195.13745	1.1
215.17914	8.7
233.18977	5.7
251.19968	28.8
269.21091	1.5
284.29373	2.7
288.05753	2.5
335.25696	2.8
389.96707	0.7
450.31775	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05322	1.2
53.03929	2.3
55.01854	12.0
55.05493	21.1
57.03410	6.6
57.07051	2.1
61.02908	2.4
64.32426	1.9
65.66296	1.6
67.05477	16.4
68.65346	1.7
68.67607	1.5
69.03412	13.0
69.07041	25.4
70.06553	1.6
71.04955	16.8
73.06561	1.9
74.09628	1.5
74.12836	1.6
79.05464	33.8
81.03390	4.0
81.07031	89.6
82.70340	1.5
83.04949	24.6
83.08596	9.6
83.42396	1.6
85.02873	20.6
85.06523	14.5
87.00777	1.9
87.04415	1.7
89.03873	2.1
91.05445	26.4
92.08783	2.7
93.07013	100.0
95.04957	13.8
95.08579	55.0
97.02858	7.1
97.06498	60.0
97.10157	2.9
99.04440	13.7
99.08047	1.7
101.06016	1.8
105.06998	66.2
107.04917	8.4
107.08559	55.5
109.06483	30.2
109.10123	11.6
111.04419	2.5
111.08043	37.0
113.05985	2.8
117.06985	3.8
119.04897	1.7
119.08540	40.9
121.06466	58.9
121.10096	32.6
123.07994	11.7
123.11678	10.1
125.05962	6.8
125.09605	3.0
127.03890	2.0
127.07527	13.0
129.05438	8.7
129.06917	5.6
131.08517	11.6
133.06468	3.4
133.10086	29.6
135.04369	7.8
135.08022	18.8
135.11656	20.1
137.05966	3.3
137.13194	6.5
139.07523	25.5
139.11113	2.7
142.07765	2.9
143.06941	2.4
143.08539	13.1
145.02815	2.7
145.10085	14.4
147.07997	3.1
147.11636	58.5
149.09604	7.2
149.13200	6.1
151.07518	2.0
153.09070	2.9
153.12686	28.1
156.09256	3.0
157.08562	35.3
157.10083	25.4
158.07097	1.8
159.04279	2.0
159.11658	9.2
161.02312	3.9
161.05925	2.7
161.09563	2.9
161.13217	48.9
163.03847	20.8
165.12700	21.5
167.10658	2.4
171.11639	23.6
173.02301	10.4
173.09535	3.1
175.11139	30.1
179.14299	7.3
181.10028	1.7
189.12686	26.1
189.16341	2.9
193.12175	15.3
199.11147	29.5
207.02882	1.9
207.13785	10.6
209.15306	2.3
211.13272	3.9
215.06920	14.8
217.12193	54.8
217.15823	10.3
235.13228	57.1
235.16777	21.7
253.14279	60.2
253.17850	10.9
259.09592	25.4
271.15366	3.6
287.05484	21.1
288.05780	43.9
450.11102	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14139	0.7
54.80665	0.9
55.01849	1.9
57.03419	10.3
57.45695	0.6
60.07372	0.8
61.02907	9.0
69.03401	24.2
71.04939	1.7
73.02880	6.7
80.38145	0.6
81.03385	6.6
81.19908	0.8
85.02872	100.0
87.04453	6.1
91.03912	5.0
91.05442	71.1
91.22858	0.7
97.02853	36.5
99.04417	4.1
103.03870	1.1
109.02840	8.7
115.03876	4.8
117.06989	1.9
121.06474	9.6
126.81413	0.7
127.03870	17.5
127.41924	0.8
133.04926	1.4
137.05937	6.8
137.06851	0.8
138.09166	1.0
143.08546	0.9
145.04915	25.2
145.06221	1.2
145.06473	1.2
150.12869	0.8
151.07516	0.9
156.10133	6.0
161.04335	1.7
163.05974	15.1
163.82590	0.9
177.05450	3.2
179.06915	1.5
207.06456	1.1
217.08511	1.7
235.09468	1.1
247.09613	1.2
253.10574	1.8
288.05667	3.8
325.11218	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
53.68277	0.8
54.80874	1.0
55.01854	4.1
57.03419	20.9
59.04977	1.2
61.02905	15.4
61.51006	0.9
69.03407	26.9
71.04948	3.6
73.02885	31.9
81.03396	8.2
83.04960	0.9
85.02877	100.0
87.04436	4.8
89.05994	5.8
91.03911	1.8
91.05447	92.9
92.09379	1.7
93.07000	1.6
94.40826	0.8
97.02856	48.8
99.04397	5.4
103.03918	1.3
105.03394	1.5
105.06954	1.1
109.02847	10.5
110.25917	0.9
110.61507	1.0
115.03893	12.5
117.06950	1.8
121.06458	27.7
127.03870	19.8
129.06969	1.7
129.97908	1.0
130.15892	5.1
131.08542	0.9
133.04979	1.5
133.06421	1.5
143.08574	1.1
145.04909	22.8
145.06496	2.1
145.96706	0.9
150.07588	1.0
157.06366	1.5
159.07994	1.6
163.05968	9.9
170.48259	1.0
175.07541	1.5
179.06969	1.1
187.07541	7.0
205.08611	4.8
217.08604	1.6
229.08546	1.4
235.09572	2.2
247.09554	1.8
253.10600	1.8
263.28030	1.0
265.10703	1.8
287.05338	7.6
288.05728	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	450.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.80799	0.6
56.96519	0.7
57.03424	3.7
58.83453	0.7
61.02886	0.7
67.81123	0.8
69.03399	13.5
69.07037	1.5
70.06561	1.2
70.13458	0.8
71.04974	0.9
76.05539	0.9
78.03416	8.3
78.09147	0.7
80.04980	1.0
81.03386	17.5
83.04935	3.1
84.04476	14.3
85.02882	12.0
85.04008	0.8
85.04803	1.0
85.09963	0.8
86.09677	1.5
87.04415	0.9
91.05457	1.3
96.04467	4.5
97.02856	6.1
98.97543	1.0
99.04414	1.8
106.02882	41.9
109.02876	6.8
110.02329	1.5
111.04416	1.7
112.07545	1.2
113.10723	1.2
114.11130	0.8
116.07033	0.7
119.04915	4.8
119.21651	0.7
123.04411	0.9
124.03905	100.0
125.70831	0.7
126.05466	11.8
127.03883	3.2
127.05817	1.9
129.05450	1.5
138.05328	1.2
141.10193	3.9
147.04349	9.2
148.04727	0.8
166.04932	0.8
166.08588	2.9
167.07045	3.5
183.08630	1.1
187.10680	1.0
197.01202	0.9
212.09126	3.0
229.11841	1.2
246.14435	3.2
247.14847	1.0
250.07047	6.6
268.08041	35.1
287.05423	3.2
288.05832	6.1
399.54108	0.9
450.15909	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	449.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86043	1.3
52.99840	1.3
53.00280	1.7
53.03921	2.4
54.80301	2.0
55.05282	1.7
55.05496	29.4
57.07037	7.1
59.04976	1.8
59.63288	1.4
65.03914	1.6
67.05209	1.6
67.05482	26.9
69.03379	3.0
69.07040	21.5
71.04961	1.6
76.54104	1.5
79.05462	28.5
81.07024	65.6
83.04951	65.9
83.08576	7.4
85.02863	1.9
85.06517	1.5
91.05440	41.6
92.09350	2.0
93.07002	66.1
94.15834	1.5
95.04935	21.6
95.08567	70.7
97.06499	3.7
105.06286	3.0
105.06995	84.7
107.04911	2.1
107.08557	94.7
109.06491	10.8
109.10115	31.2
110.58644	1.7
111.08076	3.7
113.47495	1.6
115.05437	2.1
117.06956	14.8
119.06104	2.0
119.08535	100.0
121.06437	3.0
121.10104	33.8
123.08018	10.7
123.11635	14.1
125.09592	14.4
125.83899	2.0
128.06177	4.1
129.06905	13.0
130.07753	3.3
131.08517	58.1
133.10072	41.0
135.08005	3.1
135.11656	18.1
137.09622	6.8
141.06937	3.7
142.07759	17.9
143.08508	37.9
144.09274	3.9
145.06458	1.8
145.10078	87.4
147.11633	38.6
149.09621	2.1
149.13203	7.2
151.11163	3.7
153.01820	1.7
155.08513	20.9
156.09300	16.5
157.10072	54.1
158.10875	4.0
159.08046	2.8
159.11636	53.4
161.09583	2.2
161.13232	21.3
163.07472	8.7
163.14792	3.3
167.08508	2.6
168.09288	2.6
169.10072	29.7
170.10847	10.1
171.11612	37.9
173.09529	2.3
173.13182	35.5
175.14758	15.1
180.09349	2.6
181.10060	12.0
182.10873	7.1
183.11646	27.6
184.12422	3.5
185.13181	33.3
187.14725	30.0
189.16301	3.4
193.10097	3.9
194.10776	3.1
195.11661	10.5
196.12422	2.3
197.13171	21.2
199.14737	38.6
201.12695	3.4
201.16328	16.8
203.14284	14.2
205.15814	3.7
207.11546	6.5
209.13216	8.5
211.14767	20.5
213.12961	1.9
213.16315	12.1
215.10500	2.3
215.14293	3.0
217.15785	5.9
219.13754	1.9
221.13063	3.4
222.13977	2.0
223.14775	12.7
225.16336	10.8
227.14134	2.3
227.17805	2.6
231.13754	3.1
235.14789	6.5
236.15477	2.3
237.16309	10.8
239.17815	7.0
241.19423	2.5
243.13657	3.6
245.15329	3.6
247.14742	2.4
249.16312	7.5
251.17899	9.9
253.19456	2.8
257.15289	10.1
263.17923	3.7
265.19379	3.6
271.16986	1.8
275.17722	1.9
277.19421	3.1
281.22934	1.6
283.16629	2.1
287.05411	35.5
288.05487	2.3
289.19421	2.6
297.18494	2.2
299.05453	2.8
325.21524	2.3
335.70248	1.8
345.25711	6.6
367.26196	2.5
385.28741	2.6
391.26218	12.5
403.29843	40.3
405.31491	9.6
413.29681	1.8
421.30887	2.5
431.29355	13.3
449.30295	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	449.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80566	2.2
55.05489	11.2
64.41829	2.1
67.05470	15.1
69.07034	15.4
76.98312	2.6
77.94961	2.3
79.05476	17.4
81.07037	26.9
83.04951	11.1
83.08598	4.0
91.05445	19.5
93.07003	19.3
95.04952	5.5
95.08563	27.0
97.06529	2.7
105.06992	37.2
107.08562	35.7
109.10135	4.9
117.06979	11.8
119.08543	100.0
120.40558	2.3
121.10094	15.3
123.11653	3.0
129.06978	4.0
131.08525	29.6
133.10095	28.8
135.08023	29.6
135.11600	4.9
141.06804	2.3
143.08516	15.5
144.09311	3.0
145.10091	55.0
147.08058	4.2
147.11650	14.2
149.09619	3.6
155.08441	3.4
156.09253	4.1
157.10095	12.9
159.07968	11.1
159.11658	24.8
160.08858	3.0
161.09605	24.5
161.13213	13.0
163.14784	4.9
169.10039	11.9
170.10651	3.0
171.11626	10.1
173.09590	18.9
173.13251	11.4
174.02051	2.5
175.11139	13.4
175.14737	19.4
181.10146	2.9
183.11679	3.5
185.09521	9.6
185.13188	4.4
187.11136	22.3
187.14751	44.8
189.12726	17.4
189.16335	30.6
197.13142	4.3
199.11176	11.7
199.14848	3.8
201.12704	4.3
201.16359	4.1
203.14191	10.6
209.13243	3.1
211.14935	4.7
213.12709	6.0
213.16310	9.6
215.14278	53.2
215.17757	3.0
217.15869	11.2
227.14198	5.6
227.17732	3.4
228.33417	2.8
229.15755	12.8
231.17342	2.4
241.15804	3.5
287.05411	87.3
288.05649	5.2
299.05374	5.1
347.32535	2.5
387.30634	2.9
403.29837	21.6
405.31311	15.4
421.30392	3.3
449.30426	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	449.1067
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
54.80751	0.1
55.01835	0.1
68.99754	0.2
83.68061	0.1
85.02871	0.2
111.00750	0.2
115.05385	0.4
120.90416	0.1
121.02805	0.5
123.04352	0.1
126.80153	0.1
129.07050	0.1
132.90182	0.1
135.04381	0.1
137.02296	2.7
137.03320	0.2
137.05914	1.0
138.06279	0.2
141.06993	0.2
143.04910	0.2
144.96039	0.1
147.04286	0.2
149.02328	0.5
157.06435	0.5
161.05934	0.5
163.03775	0.5
165.01772	0.2
175.03798	0.2
185.05856	0.8
189.05431	0.6
200.04871	0.1
203.06926	0.2
213.05388	2.7
216.04031	0.2
230.06088	0.1
231.06491	1.0
241.04875	1.3
251.63161	0.1
259.05798	0.2
261.09372	0.1
269.04260	0.2
287.05386	100.0
288.05673	1.6
352.03098	0.1
426.02353	0.1
449.10495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1069
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.39354	0.1
53.00289	0.1
53.03923	0.3
55.01847	0.6
57.03155	0.1
57.03417	1.2
58.88909	0.1
61.02904	1.6
67.05484	0.2
68.99751	0.9
69.00093	0.1
69.03038	0.2
69.03404	4.3
71.01306	0.1
71.04943	0.2
73.02877	0.7
79.05447	0.2
81.03380	1.8
81.07007	0.2
83.01292	0.2
83.04938	0.2
85.02367	0.3
85.02872	7.8
87.04442	0.3
89.17953	0.1
91.03886	0.3
91.05443	0.9
92.05794	0.2
93.07012	0.2
95.04916	0.2
97.02859	2.5
97.99856	0.1
99.04432	0.6
105.03368	0.2
105.06975	0.2
107.04903	0.2
109.02828	1.2
111.00758	0.8
119.04847	1.4
119.08539	1.5
121.02827	3.8
123.00760	1.3
127.03870	1.2
129.07016	0.2
131.08488	0.2
133.02794	0.2
135.04369	0.3
137.02292	1.2
141.01735	0.2
141.06891	0.2
145.04903	0.7
145.06448	0.3
145.10062	0.2
147.04347	0.8
147.11624	0.2
153.01775	5.1
155.08507	0.8
157.06427	0.6
163.04033	0.2
165.01750	1.8
165.06953	0.3
169.01248	1.0
171.04297	0.2
173.05928	0.7
183.02763	1.0
183.07971	0.8
185.05920	0.9
186.06676	1.1
199.03868	0.2
200.04742	0.2
201.05412	0.2
201.09041	0.7
211.07512	0.3
213.05344	1.5
229.04970	0.2
229.08525	4.1
231.06519	0.7
241.04846	1.2
245.04530	0.2
257.07999	2.2
258.05237	1.3
259.05936	0.6
269.04324	0.9
273.07697	0.1
287.05399	100.0
288.05713	1.7
299.05481	0.3
329.06607	0.1
449.10397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1067
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
67.01827	0.7
68.99737	0.4
69.03394	0.3
69.50854	0.2
79.05463	0.1
85.02850	0.3
96.13521	0.2
97.02832	0.2
120.57772	0.2
135.04379	2.5
137.02254	0.7
153.00597	0.3
153.01778	6.4
161.02284	0.3
171.02956	0.2
179.03342	0.2
241.05026	0.4
269.04364	0.7
287.05408	100.0
288.05719	0.3
307.56290	0.2
317.06412	0.4
449.10629	14.7
450.11032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1069
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
50.73716	0.1
57.60685	0.1
59.47885	0.1
61.74214	0.0
67.01831	0.8
67.72660	0.1
68.99447	0.1
68.99743	0.5
69.03383	0.1
79.05463	0.1
85.02862	0.1
89.03864	0.1
107.04923	0.1
111.00772	0.1
117.03318	0.3
129.01787	0.2
135.04367	2.7
135.05392	0.1
137.02292	0.8
151.15198	0.1
153.01776	7.6
161.02287	0.8
171.02846	0.7
179.03340	0.5
185.06020	0.1
203.03307	0.2
208.57892	0.1
213.05280	0.2
219.06349	0.1
231.06418	0.1
241.04854	0.8
245.04274	0.1
249.75040	0.1
259.05984	0.2
269.04272	0.6
287.05392	100.0
288.05621	0.9
299.05420	0.1
308.11588	0.1
449.10260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.107
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
57.03418	0.2
61.02888	0.7
67.01842	0.7
68.99760	0.6
69.03406	1.3
70.53555	0.1
71.04977	0.1
73.02899	0.2
81.03380	0.7
83.64286	0.1
85.02884	3.0
97.02103	0.1
97.02840	1.0
107.04897	0.1
109.02842	0.2
111.00752	0.1
117.03346	0.1
127.03861	0.2
129.01778	0.1
135.04372	2.9
137.02321	0.8
145.04863	0.2
153.01773	7.5
161.02376	0.8
171.02820	0.7
179.03371	0.2
180.25279	0.1
185.05971	0.2
213.05545	0.2
241.04794	0.9
263.05447	0.1
269.04361	0.7
287.05399	100.0
288.05728	0.8
299.05466	0.2
305.14203	0.1
329.06427	0.1
339.08371	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	449.1069
Annotation	2'-Hydroxygenistein 4'-O-glucoside
Peak:m/z	Relative Intensity
54.61866	1.2
55.01862	2.0
57.03424	2.5
69.03388	2.2
72.65347	1.3
79.01824	7.4
79.05470	1.4
81.03401	2.2
81.07021	1.7
83.04961	1.3
85.02880	3.2
94.59922	1.3
97.02861	2.0
105.07018	1.4
108.73405	1.3
108.97533	1.3
109.02856	3.2
119.08602	1.6
121.02840	1.7
135.04396	6.2
137.02301	22.5
140.02544	1.5
153.01819	3.3
161.02306	5.3
163.03860	1.5
165.01787	8.8
167.03339	1.9
179.03409	1.7
183.02831	2.6
191.03383	1.9
192.85515	1.4
205.04854	1.8
217.04846	5.0
229.04921	6.1
243.02841	1.6
256.70914	1.5
259.06009	2.1
261.03860	3.1
262.43903	1.4
271.05972	9.3
272.06720	11.7
283.05972	2.5
286.04797	2.2
287.05402	57.3
297.07562	1.9
299.01984	3.1
299.05396	100.0
300.06143	49.4
301.07181	2.5
311.05396	11.2
313.06995	29.1
324.06308	3.0
325.06961	19.9
327.04816	2.2
329.06451	91.1
339.04681	2.8
339.08459	24.0
341.06491	8.3
343.07904	1.6
353.06430	45.1
353.91373	1.8
359.07498	9.0
365.06381	2.3
367.08054	7.0
383.07419	10.4
395.07654	9.7
413.08368	21.7
431.09515	27.1
449.10645	81.7
449.19992	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	449.1069
Annotation	8-C-Methylquercetin 3-xyloside
Peak:m/z	Relative Intensity
55.01853	0.5
57.03413	0.9
57.05348	0.4
68.99772	0.8
70.85059	0.4
81.03399	0.5
85.02882	2.4
95.04871	0.7
97.02835	0.5
104.29485	0.4
109.02847	0.8
115.49297	0.5
117.03389	0.5
121.02864	1.2
135.04352	5.6
137.02312	9.5
137.03323	1.4
141.01778	1.9
149.02228	1.8
153.01732	0.7
161.02254	3.8
163.03842	4.5
165.01767	18.4
167.03339	3.5
177.01776	1.1
177.05473	0.6
179.03293	1.9
181.04845	1.9
183.02838	6.9
187.03853	1.2
191.03351	2.4
195.02818	2.4
203.03256	0.6
205.04871	1.1
207.02728	0.9
215.03235	0.7
233.04492	0.6
255.06432	1.1
258.04971	0.6
272.06662	1.9
283.05887	9.2
286.04581	3.2
287.05396	6.6
295.05881	2.6
297.07443	13.5
299.05392	100.0
300.06201	6.6
301.06982	0.7
310.04504	0.6
311.05362	9.6
311.09082	3.3
313.06873	3.3
321.07404	2.5
323.05365	2.1
324.06110	2.3
325.03641	1.4
325.06921	34.7
329.06430	41.4
337.06949	3.2
339.04742	1.0
339.08499	15.7
349.06885	3.4
353.06430	41.2
363.66864	0.5
365.06378	10.1
367.08017	0.8
377.06503	7.2
383.07452	15.8
395.07471	11.9
413.08530	9.1
431.09561	10.0
449.10663	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	449.1067
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.13696	0.1
51.69348	0.1
56.88454	0.1
67.01820	0.7
67.05452	0.1
68.99754	0.3
69.03391	0.3
69.07037	0.3
71.04940	0.2
79.05440	0.7
81.07014	0.2
83.04936	0.8
85.02867	0.9
89.03851	0.2
91.05442	0.6
93.06992	0.6
95.04944	0.3
95.08588	0.2
97.02907	0.1
97.06480	0.5
97.75402	0.2
103.58742	0.1
105.06992	0.8
106.07298	0.1
107.04931	0.5
107.08544	0.7
109.06512	0.2
119.08540	0.3
121.06436	0.6
125.05923	0.8
125.97208	0.1
135.04391	2.0
137.02309	0.6
137.51840	0.1
143.06943	0.2
145.10071	1.7
146.10373	0.2
151.07498	0.1
153.01775	6.4
158.07198	0.2
159.11552	0.2
161.02263	0.8
163.11116	3.5
163.46022	0.1
164.11484	1.0
171.02849	0.5
173.09578	0.7
174.09911	0.2
179.03348	0.3
187.11102	0.3
191.10632	0.2
192.04482	0.1
201.17697	0.2
205.12166	0.3
206.12485	0.2
213.05482	0.2
215.10638	0.3
219.06540	0.2
233.11722	1.2
234.11995	0.6
241.04868	0.6
269.04388	0.3
287.05386	100.0
288.05722	0.7
299.05310	0.2
303.04849	0.6
325.94244	0.2
449.10617	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0859
Annotation	XL147
Peak:m/z	Relative Intensity
55.01858	0.3
55.05481	0.5
57.03407	0.3
64.50761	0.2
64.65314	0.2
65.03910	0.3
67.05465	1.0
68.99782	0.3
69.03399	1.2
69.07046	0.6
79.05466	0.6
81.03380	1.4
81.07021	2.1
83.08560	0.3
85.02872	1.7
85.06497	0.2
91.05441	0.5
93.03403	0.4
93.06989	1.1
95.04939	0.3
95.08564	2.2
97.02807	0.3
105.03419	0.3
105.06988	1.5
107.04926	0.3
107.08547	1.8
109.02833	0.4
109.10133	1.2
114.35609	0.3
117.03335	0.4
118.01688	0.3
119.08541	1.5
121.02814	1.3
121.10121	1.3
131.08543	0.5
133.10069	1.2
135.04376	3.1
135.11661	0.4
137.02287	3.0
143.08464	0.5
145.10045	0.6
147.11674	1.0
149.02280	2.6
149.13152	0.3
151.07489	0.3
153.01807	0.4
157.10081	0.5
159.11670	0.6
161.02275	2.8
163.03847	0.3
165.05463	0.5
167.03348	3.2
171.11575	0.4
175.14870	0.3
177.01770	6.3
179.03307	1.1
195.02838	1.6
197.00668	0.3
199.03831	0.4
205.01288	5.7
209.05875	0.4
209.45543	0.3
222.93913	0.3
223.02289	0.5
223.62695	0.3
227.06859	0.5
245.04204	0.4
253.90657	0.3
255.02884	0.5
255.06471	0.5
265.04782	0.5
269.22568	0.4
273.03711	0.6
283.05936	4.4
287.05399	7.6
287.23486	0.4
293.04300	1.0
295.05942	1.5
297.03836	1.1
299.05231	0.4
311.05386	40.2
313.02692	0.3
339.04871	100.0
340.05304	0.4
389.06519	1.2
398.36279	0.3
407.07544	1.3
449.08548	11.8
449.29755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.39
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63709	0.4
67.05479	3.7
71.64314	0.5
72.73173	0.4
73.22885	0.4
92.09325	0.8
93.07001	0.8
98.13514	0.4
109.10120	3.9
113.27850	0.5
119.08517	2.8
119.11300	0.4
121.06461	10.8
122.07218	1.8
129.62576	0.5
135.07945	0.5
136.08800	13.6
137.09573	14.5
149.02318	0.6
149.09550	2.1
151.07471	0.5
164.08278	31.1
165.09053	100.0
166.09758	0.6
177.09105	1.0
205.12131	6.0
287.05292	0.8
430.37921	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0855
Annotation	XL147
Peak:m/z	Relative Intensity
51.53054	0.2
67.05418	0.2
69.03374	0.3
76.55516	0.2
79.05396	0.2
81.06989	1.1
85.02826	0.4
89.26660	0.2
91.05412	1.0
92.08734	0.3
93.06973	0.5
94.93767	0.3
95.04891	0.4
107.08524	0.4
115.03724	0.2
119.04886	2.0
119.08476	0.4
121.10081	0.3
123.04371	10.1
139.05304	0.5
141.06918	0.3
147.04349	3.3
147.11562	0.3
167.04771	0.2
171.04242	0.3
185.05867	0.4
195.04282	1.3
197.05875	0.5
199.03836	0.3
201.05547	0.3
213.05392	11.0
223.03831	1.4
227.03218	0.4
227.06931	0.3
241.04828	7.2
242.05530	0.3
251.03468	0.2
253.04863	0.5
255.06502	0.4
269.04315	17.7
270.05106	1.2
281.04376	0.4
285.03754	2.3
287.05392	2.6
293.04453	0.4
297.03809	100.0
298.04498	2.8
309.03809	0.6
311.05319	3.3
327.04898	4.9
339.04871	1.1
413.06076	0.3
449.08478	36.7
450.08945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55832	0.9
53.61185	0.9
55.01849	2.4
55.05495	5.8
55.39479	1.1
57.03414	1.9
57.07047	2.0
59.04741	1.1
59.04979	13.4
59.11712	1.0
60.34232	1.0
61.02899	1.5
67.05480	24.4
69.03033	2.2
69.03406	58.3
69.07036	5.0
71.04965	2.3
75.69633	1.2
79.05441	12.8
80.11042	1.3
81.03391	1.9
81.07026	54.8
83.04953	8.6
83.08602	1.7
83.54650	1.1
85.02878	17.7
85.06522	2.5
87.04430	2.5
91.05449	10.6
92.09334	1.5
93.07014	29.3
95.04921	16.9
95.08572	26.2
97.02845	7.4
97.06485	5.6
97.10151	1.5
99.08064	1.4
105.07006	31.7
107.08568	31.3
109.02797	1.7
109.06490	14.1
109.10123	50.3
111.04379	2.6
111.08054	9.3
115.03919	2.1
117.06975	2.8
119.08544	29.2
121.06510	2.1
121.10117	14.0
121.56643	1.5
123.08026	71.6
123.11658	50.8
125.09578	1.6
127.03893	3.0
129.05435	26.6
131.08516	15.5
133.06517	1.4
133.10091	38.3
135.08011	2.2
135.11647	7.6
139.11116	1.5
143.06953	6.3
143.08539	4.4
145.10083	20.3
147.08028	1.7
147.11646	34.7
149.09622	2.8
149.13245	2.6
151.11148	38.7
155.08511	1.5
156.09258	1.8
157.10054	6.6
159.11664	16.4
159.46925	1.3
161.09583	2.4
161.13208	28.6
163.11148	1.6
163.14709	1.7
165.12704	2.4
169.12108	4.5
171.11623	5.0
173.09584	6.5
173.13190	17.9
177.09067	1.7
177.12689	2.9
183.11462	1.4
187.14764	15.2
189.12747	5.3
191.14238	2.3
197.13219	6.1
201.12732	2.8
205.15781	2.3
207.13834	4.4
215.14273	34.0
219.13702	6.3
219.90518	1.3
221.15289	2.5
233.15295	12.4
237.14685	8.7
239.16232	9.0
251.16336	100.0
261.51028	1.2
269.04138	1.1
269.17322	14.9
287.05380	9.1
297.03833	7.4
366.67828	1.3
426.12320	1.3
449.08780	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	448.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24874	1.2
52.62926	1.1
53.00286	1.6
53.03935	2.3
55.01847	7.0
55.05497	33.5
57.03413	10.7
57.07035	2.4
57.32714	1.5
58.06583	1.7
59.04990	1.7
59.80910	1.6
61.02888	2.3
65.08727	1.3
67.05478	32.6
69.03414	25.2
69.07049	17.3
71.04978	12.7
73.02885	1.6
73.59605	1.8
79.05454	35.4
81.03378	7.8
81.07026	100.0
83.04974	17.3
83.08591	3.3
85.02869	24.9
85.06502	4.0
85.19874	1.6
91.05437	28.8
93.07008	87.3
95.04936	16.3
95.08009	2.9
95.08571	44.0
97.02873	12.5
97.06488	21.1
97.10136	2.0
99.04391	2.3
101.02361	2.4
105.06995	53.3
107.04864	2.0
107.08560	84.6
109.06480	16.5
109.10125	38.7
111.04420	1.7
111.08044	41.1
117.06955	12.8
119.08540	60.8
121.06467	11.1
121.10102	84.2
121.10983	2.7
123.04367	2.3
123.08006	10.4
123.11667	15.6
125.05904	7.5
125.09591	17.0
127.03856	3.0
127.07461	1.8
129.05482	1.9
129.06909	3.0
130.07716	3.1
131.08524	28.2
133.10085	38.4
135.07994	10.5
135.11646	24.5
137.06001	1.8
137.09576	89.5
139.07513	15.0
143.07005	3.9
144.09326	4.1
145.04938	2.1
145.10081	42.8
147.07990	13.3
147.11650	20.8
149.09558	6.1
149.13213	32.9
151.11099	8.4
157.08568	76.1
157.10025	12.2
158.10780	1.9
159.08044	1.9
159.11641	77.6
161.09531	3.4
161.13206	6.9
163.11131	10.2
163.14825	2.6
165.09079	7.5
171.11642	2.6
173.09567	3.7
173.13179	3.5
175.11151	2.6
177.12715	16.3
177.16312	2.3
181.12193	3.7
183.10133	16.6
187.14786	20.4
189.16306	4.0
191.10771	1.8
197.13248	4.1
205.15794	12.9
213.05472	2.2
215.14250	10.5
233.15274	30.6
251.12511	3.1
251.16327	85.7
286.27393	2.1
287.05414	40.3
297.03845	14.2
426.55273	1.9
448.32523	7.0
449.09018	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
55.01844	2.4
55.05498	16.5
55.79733	1.6
57.03416	7.0
57.07041	1.5
61.02901	1.5
64.32509	1.6
67.05482	24.1
69.03405	19.9
69.07038	13.2
71.04951	9.8
72.44651	1.5
79.05458	29.2
81.03381	1.8
81.07025	98.9
83.04947	13.2
83.08603	3.9
85.02881	15.0
85.06517	3.7
91.05443	22.5
93.07008	53.0
95.04935	8.7
95.08571	21.6
97.02836	1.9
97.06490	18.0
99.04381	1.7
101.05961	1.7
104.50754	1.7
105.06993	49.8
107.08558	76.6
109.06482	7.2
109.10117	43.4
111.04382	6.9
111.07322	2.8
111.08046	48.3
115.05381	1.7
117.06945	14.4
119.08540	47.1
121.06465	9.4
121.10102	19.5
123.04385	3.0
123.08046	6.4
123.11604	3.3
125.05936	8.6
125.09568	20.1
127.03868	1.6
128.06201	2.1
129.06973	2.2
131.08524	32.4
133.10074	42.8
135.08000	7.2
135.11642	27.9
137.09535	12.9
139.07458	12.3
143.06960	6.2
144.09291	3.9
145.10071	28.7
147.07909	2.4
147.11638	20.1
149.09541	2.2
149.13196	16.9
151.07492	1.9
153.18857	1.6
157.08556	100.0
157.10002	10.7
159.11630	75.5
163.11150	2.3
163.14693	1.8
165.09018	6.8
171.11555	1.7
173.09543	3.0
173.13182	2.5
175.11118	3.9
177.12648	17.6
181.12082	2.8
183.10117	28.5
187.14780	16.8
189.16330	6.4
197.13210	1.7
199.13231	3.5
205.15900	2.2
213.05351	11.3
215.14185	6.2
215.17914	1.9
233.15294	30.8
233.18919	1.6
241.04970	3.7
242.05638	3.3
251.16318	63.8
269.04315	15.0
270.05115	8.4
287.05331	13.2
297.03821	88.4
298.04572	23.4
327.05038	10.9
337.87158	1.9
449.02612	2.0
449.08490	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	448.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01867	0.8
55.05495	8.3
55.10191	0.7
56.09346	0.7
57.03420	1.4
57.04364	0.7
57.07072	1.1
58.21817	0.8
59.04975	1.3
59.07544	0.8
61.02900	1.1
65.16300	0.7
67.05481	7.0
69.03411	6.2
69.07027	5.0
71.04971	16.8
72.17924	1.1
73.02866	4.6
79.05455	20.9
81.03381	1.4
81.07026	100.0
83.04938	4.6
83.08551	0.9
85.02872	14.9
85.06499	1.1
85.28236	0.8
87.04440	1.8
91.05446	8.4
93.06424	1.4
93.07006	34.6
95.04942	3.2
95.08575	18.3
97.02844	4.2
97.06493	5.9
99.04466	0.9
105.06990	24.6
107.04917	4.5
107.08556	48.3
109.02774	1.0
109.06480	5.2
109.10123	20.5
111.04402	0.9
111.08049	1.4
117.06940	2.0
119.08528	30.4
121.06435	3.8
121.10094	25.8
123.08020	12.4
123.11655	1.9
125.05942	8.1
125.09566	4.7
127.03856	1.3
127.11137	1.0
130.07707	1.6
131.08524	7.6
133.10080	20.9
135.07994	1.3
135.11647	57.6
137.02278	1.6
137.09590	8.3
137.13239	3.4
139.07518	1.6
143.08516	1.5
145.04948	1.7
145.06358	0.9
145.10071	36.9
147.08018	10.6
147.11615	9.3
151.07442	1.8
153.01772	5.7
157.10049	2.0
159.08000	1.3
159.11646	4.8
161.09535	4.4
161.13289	1.0
163.07431	0.9
163.11116	30.7
163.14772	1.1
165.09023	4.5
169.10091	1.1
173.09558	1.8
173.13161	3.8
177.09058	1.2
177.16301	1.7
179.10631	1.3
181.12173	17.9
187.14758	12.9
189.16374	7.4
191.10535	0.9
191.14331	1.1
197.13280	1.9
205.15800	18.1
215.14259	11.0
233.11681	1.5
233.15282	36.6
251.16322	50.9
269.17380	15.2
286.07635	1.4
287.05399	64.6
299.05347	3.6
303.04794	5.7
304.05209	11.7
449.10730	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	448.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63237	0.7
53.03910	0.7
54.80563	0.7
55.01841	1.7
55.05490	13.1
57.03410	3.5
57.07050	1.0
58.06562	0.7
59.04979	1.0
60.40419	0.7
61.02894	1.6
67.01859	0.8
67.05483	6.7
67.79922	0.7
69.03406	9.5
69.06732	0.7
69.07036	7.2
71.04960	18.7
72.06550	0.7
72.29425	0.7
73.02879	4.4
73.03262	0.7
79.05465	18.3
81.03379	3.7
81.07025	100.0
83.04947	5.0
83.08587	1.6
85.02875	13.2
85.06508	1.3
87.04437	3.4
91.05453	9.7
93.07005	41.4
95.04945	4.5
95.08572	18.4
97.02856	5.1
97.06498	4.6
99.04428	1.3
105.06998	24.5
107.04900	3.3
107.08563	47.7
109.02818	1.2
109.06486	4.0
109.10125	20.2
111.08028	1.9
115.03899	0.9
117.06968	3.7
119.08540	27.6
121.06430	4.1
121.10104	26.9
123.08022	19.2
123.11651	1.9
125.05976	8.1
125.09581	4.2
127.03854	3.9
127.11170	1.5
131.08521	7.9
133.10091	24.4
134.10851	0.9
135.04367	1.3
135.08043	1.9
135.11647	63.2
137.02287	1.9
137.09566	8.8
137.13199	3.8
138.20155	0.8
143.08554	1.3
145.04926	1.4
145.10083	39.2
147.08014	9.7
147.11646	12.3
149.05957	0.8
149.09624	3.3
149.13229	1.0
151.07495	2.0
153.01791	5.5
153.12689	1.0
159.11621	4.1
160.29750	0.8
161.09563	6.2
161.13132	1.2
163.07437	0.8
163.11127	29.4
165.09050	3.9
172.12373	1.3
173.09561	4.0
173.13191	3.5
175.11098	1.1
177.08992	1.4
177.16353	1.8
178.49133	0.8
179.10614	1.1
181.12177	20.1
187.14757	14.6
189.16333	4.8
191.10518	1.1
191.14220	1.4
197.13152	3.4
205.15828	19.1
215.14264	13.0
215.37761	0.8
233.15273	35.6
251.16309	54.1
269.17349	16.6
286.07712	3.2
287.05408	86.8
292.03772	0.9
299.05374	1.5
303.04919	5.1
304.05170	11.7
321.05087	0.9
329.06393	1.1
395.37500	1.0
445.52551	1.1
449.10739	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	448.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71344	1.0
51.74697	1.0
55.01852	5.2
55.05490	10.3
56.77211	1.1
56.96549	1.5
57.03418	2.9
57.07055	1.2
61.02887	1.8
67.05483	21.6
69.03407	71.6
69.07034	6.7
70.43833	1.1
71.04958	9.1
73.86886	1.2
75.27657	1.2
79.05472	14.9
81.03392	5.0
81.06541	2.8
81.07027	78.5
83.04957	26.4
85.02873	18.8
85.06497	5.1
86.37936	1.2
87.04417	5.6
91.05447	19.3
93.07012	27.7
95.04929	7.7
95.08570	35.5
97.02850	7.2
97.06480	6.7
97.10095	1.9
98.97517	2.0
99.04427	5.2
103.05449	1.2
105.06995	37.3
107.04930	5.5
107.08556	22.8
109.06490	8.3
109.10129	20.9
111.04418	5.3
112.05064	2.5
115.03891	7.7
115.05480	1.3
116.98540	1.3
117.07007	12.9
119.08537	31.6
121.06465	2.7
121.10104	18.1
123.08051	11.0
123.11665	100.0
125.05993	1.8
127.03850	10.4
129.05437	62.6
129.06927	2.3
131.08534	23.5
133.10094	31.3
135.04402	2.0
135.08018	6.6
135.11601	10.5
137.05913	1.6
141.12671	2.1
143.07013	9.5
143.08525	3.2
144.69753	1.3
145.06450	1.9
145.10086	35.5
147.08015	2.2
147.11653	33.0
147.44647	1.3
149.09595	2.6
149.13199	7.1
151.07352	1.5
151.11186	4.6
155.06975	2.2
157.10095	1.7
159.07951	2.0
159.11595	12.1
160.19382	1.4
161.09581	7.8
161.13200	54.0
163.03882	1.9
163.11113	19.2
165.06952	30.8
165.12704	5.2
167.06903	4.1
169.08578	2.3
171.11633	6.5
173.13232	25.9
175.11087	1.7
177.12599	1.8
179.10672	2.2
187.14697	1.6
189.12668	12.4
191.14275	6.2
201.12747	3.3
205.15732	1.4
207.13750	11.2
209.15321	2.0
219.13748	16.9
221.15323	7.2
225.14781	2.2
233.15282	14.3
237.14772	25.7
239.16321	22.6
251.16275	21.0
256.86725	1.3
260.08896	1.5
269.17386	40.6
287.05460	18.0
287.12338	2.1
297.03821	7.3
397.73669	1.3
449.09329	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	448.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38593	0.1
53.03928	0.3
56.96532	0.7
57.03423	0.2
59.04974	0.2
66.78520	0.1
69.03408	1.1
73.89191	0.1
83.04948	0.4
85.02869	1.4
87.04452	0.2
91.05437	2.3
92.86500	0.1
93.07011	4.8
95.04932	0.7
97.02860	0.8
98.97536	0.9
103.05442	2.2
111.04396	0.6
116.98596	0.3
117.03349	0.2
119.04891	0.2
121.06467	100.0
122.06808	0.7
123.72921	0.1
127.03838	0.2
128.98540	0.3
134.99667	0.2
135.04356	0.2
137.02277	0.2
138.09102	15.7
143.00189	0.3
145.02806	0.2
147.04411	0.2
150.05472	0.2
161.01146	0.3
163.03812	2.0
164.04227	0.2
177.00696	0.2
183.08646	0.3
189.00737	0.3
219.01576	0.2
237.02792	0.6
247.33711	0.2
257.30457	0.2
305.40210	0.2
307.84909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.3
53.03930	2.0
55.01844	5.5
55.05497	11.9
57.03421	3.3
65.03921	1.8
67.05486	15.9
69.03408	15.4
69.07049	22.7
71.01324	1.3
71.04967	14.0
73.02892	3.4
73.06509	1.9
79.05459	25.2
81.03387	3.4
81.07027	45.8
83.04949	48.6
85.02875	17.4
85.06510	10.9
88.29515	1.2
91.05449	41.2
92.05805	1.3
93.07009	43.1
95.04946	19.8
95.08562	15.6
97.02869	2.8
97.06498	42.4
97.10075	1.3
99.04420	12.4
101.06004	1.7
105.07000	66.5
107.04939	12.3
107.08562	41.8
109.06498	36.7
109.10134	6.5
111.08049	9.2
113.05936	2.2
117.06995	9.1
118.57260	1.6
119.04881	16.1
119.08543	22.7
121.06465	45.2
121.10092	10.6
123.08038	3.3
123.11749	1.9
125.05952	57.2
125.09586	5.6
127.07539	11.6
128.06192	2.4
129.06979	5.6
130.07719	2.7
131.08519	25.7
133.06438	7.9
133.10078	24.0
135.04343	1.9
135.08003	6.3
135.11678	7.7
137.02269	1.9
137.05945	9.0
137.09567	6.5
139.07506	19.4
141.06929	1.4
143.06999	24.1
143.08546	2.8
143.10631	3.4
144.09312	6.9
145.06487	11.5
145.10080	100.0
147.07965	5.9
147.11641	10.7
149.09560	2.9
149.13185	2.5
151.07523	7.5
154.07739	5.2
155.08542	2.5
157.08559	14.5
157.09912	2.4
158.07248	8.4
159.08009	10.1
159.11629	46.3
161.09598	3.3
161.13164	2.9
163.07503	2.6
163.11118	66.0
167.14198	6.4
168.45352	1.4
169.10060	16.8
171.11584	2.1
172.08725	2.3
173.09554	50.6
177.12643	14.3
179.08403	2.0
187.11121	61.7
187.12828	2.5
187.14746	2.6
189.12613	1.7
190.05643	1.4
191.10593	16.3
197.09525	11.2
205.12187	42.0
209.11627	2.2
215.10614	60.1
219.17389	8.0
223.13226	6.9
233.11647	52.6
233.13998	1.6
233.15259	7.0
237.18478	1.6
251.12668	44.8
251.16353	7.5
268.26251	2.1
269.13736	39.2
286.23822	2.1
287.05551	10.3
303.04953	3.2
304.05292	13.7
314.61804	1.5
448.32709	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11270	0.1
52.38837	0.2
54.34259	0.1
55.38578	0.1
55.54166	0.2
56.62476	0.1
56.96541	0.2
59.04969	1.2
60.04518	0.2
60.97031	0.1
68.54138	0.2
69.03391	0.4
70.36781	0.1
76.40417	0.2
79.05446	0.3
81.03400	0.2
85.02864	0.8
86.06604	0.2
89.06026	0.2
91.05438	0.9
93.06991	0.9
95.04910	0.2
97.02859	0.3
103.05423	4.2
104.98775	0.2
107.04907	1.8
116.98569	0.3
119.04861	0.4
120.08061	100.0
121.08462	2.1
121.31513	0.2
124.03910	0.4
126.87121	0.2
131.04855	2.1
147.04408	1.6
149.05907	1.7
163.03799	0.2
166.08574	27.6
167.08948	0.2
237.02669	0.3
287.05331	0.4
425.77219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01855	4.1
55.05492	4.2
55.38559	0.8
57.03414	4.6
58.49263	0.7
59.04979	0.7
60.90985	0.6
61.02907	1.3
64.87034	0.7
67.05487	9.6
68.99769	0.9
69.03407	11.3
69.07048	12.3
70.06566	1.0
71.04992	6.2
71.66438	0.8
73.02894	9.5
74.03233	3.1
77.32180	0.6
79.05468	14.6
81.03384	3.8
81.07023	13.0
83.04961	24.4
83.08569	1.0
84.08125	0.8
85.02881	12.0
85.06505	1.2
87.04453	3.1
91.05450	10.4
93.07011	19.5
95.04915	9.3
95.08570	11.3
97.02871	6.1
97.06493	21.7
99.04432	5.3
99.08066	1.3
101.06004	1.2
103.05487	0.8
105.06998	26.2
107.04929	11.4
107.08564	16.8
109.02841	2.9
109.06488	6.3
109.10143	6.1
111.04444	0.7
111.08069	1.2
113.05991	0.9
115.03918	1.1
117.06985	6.3
119.08546	10.0
121.02852	1.3
121.06456	16.4
121.10094	8.2
123.04424	0.9
123.08029	1.8
123.11639	1.1
125.05953	32.3
127.03885	3.0
129.06967	1.3
130.07745	1.7
131.08527	9.1
133.04936	1.4
133.06471	5.1
133.10091	5.0
135.08038	3.4
135.11655	4.9
137.02289	3.3
137.05956	3.0
137.09616	1.7
138.02650	0.9
139.07494	3.8
140.63863	0.8
141.06927	0.8
143.06999	20.3
143.08385	2.5
143.10622	0.8
144.09296	1.4
145.06454	4.9
145.10088	46.0
147.07988	1.5
147.11662	6.8
149.09557	1.1
149.13077	0.8
151.07567	4.9
153.01828	3.1
155.08563	1.0
157.10062	1.5
158.07248	3.0
159.04401	0.8
159.08037	2.9
159.11638	14.8
161.09543	0.9
161.13155	1.4
163.11124	100.0
165.01797	1.4
167.08502	0.8
169.10114	2.9
172.08699	1.4
173.09558	28.6
173.13225	1.0
177.12732	3.5
187.11148	20.3
189.12706	1.2
191.10641	15.5
197.09601	3.2
205.12190	12.9
209.11717	1.7
215.10638	14.3
215.14296	1.3
229.04927	1.2
230.05247	1.3
233.11659	29.4
233.15230	2.6
251.12703	11.6
251.16284	3.8
257.04321	0.8
258.04773	1.4
268.22583	5.7
269.13721	13.5
286.04236	1.2
286.23691	12.2
287.05441	20.7
303.04837	15.8
304.05215	34.1
305.05435	1.0
448.28937	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	447.3096
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
52.59939	6.9
54.80537	6.9
55.05500	14.5
67.05484	16.4
69.07047	15.3
71.04956	60.9
73.90493	7.6
74.07698	7.2
79.05446	10.4
80.81122	6.9
81.07022	33.8
83.08607	8.6
91.05463	15.2
93.07006	44.7
95.08570	67.4
105.06387	7.3
105.06998	58.5
107.08570	91.9
109.10107	32.3
119.08542	100.0
121.10110	49.9
127.11148	13.3
131.08533	38.2
133.10107	46.3
135.08080	10.7
135.11647	34.8
139.31892	7.4
143.08458	10.0
145.10097	73.7
147.11671	36.6
149.02271	12.2
149.13229	9.0
157.10040	13.4
159.11607	59.2
161.13211	16.3
171.11613	17.9
173.13148	72.0
179.64461	8.5
183.11647	13.9
184.44855	7.8
185.13226	13.0
187.14746	76.5
193.04884	10.9
199.14792	14.6
201.16354	30.6
211.14809	8.8
238.31842	7.6
273.19727	10.2
295.24106	11.4
297.21829	8.3
365.28229	48.6
379.73984	8.9
383.29358	17.8
411.28760	11.2
429.29807	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	448.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.3
53.03930	2.0
55.01844	5.5
55.05497	11.9
57.03421	3.3
65.03921	1.8
67.05486	15.9
69.03408	15.4
69.07049	22.7
71.01324	1.3
71.04967	14.0
73.02892	3.4
73.06509	1.9
79.05459	25.2
81.03387	3.4
81.07027	45.8
83.04949	48.6
85.02875	17.4
85.06510	10.9
88.29515	1.2
91.05449	41.2
92.05805	1.3
93.07009	43.1
95.04946	19.8
95.08562	15.6
97.02869	2.8
97.06498	42.4
97.10075	1.3
99.04420	12.4
101.06004	1.7
105.07000	66.5
107.04939	12.3
107.08562	41.8
109.06498	36.7
109.10134	6.5
111.08049	9.2
113.05936	2.2
117.06995	9.1
118.57260	1.6
119.04881	16.1
119.08543	22.7
121.06465	45.2
121.10092	10.6
123.08038	3.3
123.11749	1.9
125.05952	57.2
125.09586	5.6
127.07539	11.6
128.06192	2.4
129.06979	5.6
130.07719	2.7
131.08519	25.7
133.06438	7.9
133.10078	24.0
135.04343	1.9
135.08003	6.3
135.11678	7.7
137.02269	1.9
137.05945	9.0
137.09567	6.5
139.07506	19.4
141.06929	1.4
143.06999	24.1
143.08546	2.8
143.10631	3.4
144.09312	6.9
145.06487	11.5
145.10080	100.0
147.07965	5.9
147.11641	10.7
149.09560	2.9
149.13185	2.5
151.07523	7.5
154.07739	5.2
155.08542	2.5
157.08559	14.5
157.09912	2.4
158.07248	8.4
159.08009	10.1
159.11629	46.3
161.09598	3.3
161.13164	2.9
163.07503	2.6
163.11118	66.0
167.14198	6.4
168.45352	1.4
169.10060	16.8
171.11584	2.1
172.08725	2.3
173.09554	50.6
177.12643	14.3
179.08403	2.0
187.11121	61.7
187.12828	2.5
187.14746	2.6
189.12613	1.7
190.05643	1.4
191.10593	16.3
197.09525	11.2
205.12187	42.0
209.11627	2.2
215.10614	60.1
219.17389	8.0
223.13226	6.9
233.11647	52.6
233.13998	1.6
233.15259	7.0
237.18478	1.6
251.12668	44.8
251.16353	7.5
268.26251	2.1
269.13736	39.2
286.23822	2.1
287.05551	10.3
303.04953	3.2
304.05292	13.7
314.61804	1.5
448.32709	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48814	2.4
53.03925	4.3
54.47206	3.0
54.80880	2.7
55.01854	5.3
55.05488	34.0
56.02863	2.5
56.51456	2.6
57.03410	14.5
57.07063	2.6
58.61704	2.8
64.51787	2.5
65.07481	2.5
65.12559	2.7
66.38870	3.0
67.05482	43.9
69.03387	5.8
69.07036	18.9
69.42862	3.4
70.75890	3.0
71.04958	4.5
79.05459	74.5
81.03384	58.3
81.07030	54.6
83.04955	15.3
83.08585	15.7
91.05437	54.8
92.08649	7.3
93.06997	47.3
95.04926	46.3
95.08577	19.2
97.06500	7.3
97.10140	13.4
105.06994	35.4
107.04917	20.6
107.08557	32.8
109.06510	6.4
109.10110	7.3
110.59633	3.1
111.08034	5.6
117.06980	12.8
119.08554	22.8
121.06450	16.9
121.10103	4.6
125.09613	7.0
129.06961	15.9
131.08508	20.2
133.06404	5.1
133.10056	12.8
135.08025	3.4
135.11671	15.3
141.06941	4.4
141.66756	3.2
143.08546	6.4
145.06442	5.8
145.10100	17.3
147.08046	4.5
147.11661	5.2
149.02306	13.9
149.09602	4.2
151.07523	3.8
155.08545	3.5
155.38078	3.6
157.10017	12.2
159.08015	3.5
159.11673	5.8
163.11151	7.2
171.11624	5.5
173.13191	3.7
175.11060	4.8
185.13226	4.1
193.04916	5.6
193.12169	13.6
249.14859	3.5
329.21045	3.5
355.22586	13.0
403.24350	4.2
429.26093	6.6
447.21854	4.1
447.27402	100.0
463.95764	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52844	0.6
54.78098	0.5
55.05046	0.5
55.05491	0.9
55.08422	0.6
59.60144	0.5
65.79771	0.5
67.05484	1.5
69.07030	1.3
79.05455	1.4
81.07022	3.3
86.18917	0.6
90.44948	0.6
93.06989	2.4
95.08556	2.9
105.07001	0.7
107.08569	1.4
109.10114	1.4
123.08028	2.7
133.06425	0.8
133.10101	0.8
135.11649	1.0
137.09666	0.7
145.10146	1.0
149.02332	1.0
151.07492	22.6
159.11685	0.8
191.10640	1.3
193.04950	1.0
237.07504	0.8
285.20242	6.7
334.82770	0.8
394.40262	0.6
429.33572	2.8
447.25488	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	447.1279
Annotation	Glycitin
Peak:m/z	Relative Intensity
54.68382	0.1
55.01835	0.2
55.05484	0.9
56.64161	0.2
56.96532	0.2
57.03409	0.3
57.07054	0.2
59.02863	0.1
67.05486	1.3
69.03393	1.0
69.07034	1.0
71.04959	0.6
79.05453	0.9
81.03383	0.3
81.07017	2.1
83.04966	0.3
83.08595	0.3
84.96039	0.2
85.02858	0.8
91.05437	0.8
93.07011	2.1
95.04926	0.3
95.08575	1.7
97.02859	0.2
97.06490	0.8
97.65229	0.2
100.11200	1.1
105.07000	1.3
107.08568	1.2
109.02863	0.2
109.06499	0.3
109.10103	0.9
111.04376	0.3
111.08028	0.3
113.09630	0.2
119.08532	0.8
121.06420	0.2
121.10083	0.9
123.04320	0.2
123.08040	0.2
123.11659	0.3
125.09555	0.3
127.03874	0.3
131.04860	0.2
133.06465	1.6
133.10060	0.7
135.11650	0.3
137.05951	0.2
139.07565	0.3
147.11670	0.4
149.13199	0.3
153.01790	1.0
157.08589	0.2
159.11696	0.3
163.03859	0.2
164.99113	0.2
167.07014	0.3
167.14238	0.7
170.15352	0.7
175.11041	0.2
182.15363	0.4
188.17009	0.2
189.16266	0.2
198.14743	0.3
210.14859	0.3
242.05635	17.0
267.15900	0.2
267.19269	0.3
270.05127	15.3
285.07474	100.0
286.07751	1.1
372.62405	0.2
447.12576	0.9
447.19897	1.2
447.25354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
54.55263	0.2
55.01852	0.3
55.05481	0.8
57.03415	1.4
61.02888	0.8
67.05490	1.6
68.14845	0.2
68.99754	1.1
69.03402	2.6
69.07038	0.4
71.04945	0.3
73.02885	18.0
74.53694	0.1
79.05465	0.8
81.03384	1.9
81.07018	3.8
83.04929	0.2
83.08601	0.2
85.02874	4.0
85.06498	0.3
87.04433	2.3
91.05434	1.1
93.06995	1.2
95.04913	0.3
95.08563	1.6
97.02860	1.9
97.06493	0.3
99.04399	0.9
99.08047	0.2
105.06989	2.2
107.04922	0.3
107.08553	0.8
109.02837	1.2
109.06447	0.4
109.10146	0.2
111.00761	1.6
111.08091	0.2
119.08543	1.5
121.02800	1.1
121.10110	1.5
123.04416	0.3
123.08053	0.2
123.11645	0.9
127.03865	1.4
129.06947	0.3
133.10095	0.2
135.04393	0.3
137.02284	4.7
137.03314	0.3
145.04967	0.2
145.10095	0.4
147.11650	2.6
149.02277	0.7
149.09467	0.2
153.01779	5.6
155.04803	0.2
157.10101	0.4
161.05927	0.4
163.03827	1.2
165.01799	3.1
165.12672	1.3
171.11646	0.2
173.05945	0.4
183.02925	1.3
183.04294	0.3
187.03810	0.4
191.03378	0.2
201.05373	2.3
207.02875	0.3
213.05481	0.2
219.06454	0.3
229.04880	6.9
229.14226	0.4
239.03284	0.2
247.05914	1.3
257.04321	4.5
267.15747	0.8
274.04584	1.3
285.03818	2.2
285.07114	0.4
285.16821	2.1
298.72366	0.2
302.04019	0.3
303.04874	100.0
304.05209	0.7
327.08588	0.3
447.15723	0.4
447.21457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84112	0.7
57.03416	0.7
59.04981	10.0
63.06347	0.7
69.03407	1.9
73.02891	1.1
73.06516	1.1
74.24181	0.8
79.05452	1.1
81.03396	1.7
81.07016	3.4
84.08140	1.5
85.02862	5.6
86.09673	0.9
87.04432	34.6
89.05994	74.8
91.05445	1.1
91.54198	0.7
92.08672	0.8
95.04872	0.9
97.02849	1.3
101.36269	0.8
103.03899	100.0
103.07540	4.3
103.98726	0.9
107.07063	0.9
107.08548	1.1
109.02880	0.8
121.08555	0.9
131.04878	3.7
131.06030	0.8
131.06940	6.1
133.08546	29.1
133.10039	1.2
147.06450	5.5
149.09578	0.8
157.10004	1.5
163.07486	1.2
163.09537	1.2
175.09589	4.4
177.11153	9.4
185.13060	0.8
191.09094	4.7
219.44838	1.0
220.23355	1.0
221.13708	1.3
228.81639	0.9
235.11693	5.6
237.73561	0.8
248.19971	1.2
267.12155	0.9
327.20145	1.2
383.22580	4.2
411.21933	0.8
422.14203	1.0
429.23099	20.2
446.26328	1.0
447.18219	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	446.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
55.05486	0.4
55.75940	0.3
57.03411	2.3
59.04951	0.3
60.77896	0.3
61.02885	0.5
64.02977	0.3
67.79765	0.3
68.68383	0.4
69.03402	3.3
71.04951	2.1
73.02889	1.6
73.06503	0.4
78.01329	0.3
79.05443	0.5
80.21975	0.4
81.03388	0.8
81.07026	1.6
84.08080	0.3
84.85660	0.3
85.02872	6.3
86.33382	0.3
87.04437	1.6
93.06998	0.7
95.04928	0.4
97.02864	3.0
99.04392	0.7
99.08053	7.4
103.03965	0.6
103.05417	6.0
106.35017	0.3
107.04913	1.9
109.02857	0.8
115.03891	5.1
117.05418	0.5
117.09107	2.3
120.08061	100.0
120.96084	0.4
121.06487	0.4
121.08374	0.7
124.03924	0.3
127.03874	2.7
131.04889	2.3
133.04942	0.7
135.10129	2.5
135.78404	0.4
145.04889	0.8
147.04373	1.4
149.05954	1.7
166.08574	26.3
236.71759	0.4
271.51855	0.4
277.09015	0.7
446.15793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
56.96544	0.5
61.02904	0.1
69.03395	0.5
71.04968	0.1
81.03383	0.1
82.80122	0.1
83.04951	0.2
85.02872	1.1
86.06043	0.8
86.09614	0.1
87.04436	0.1
91.05455	1.9
93.07004	5.2
95.04945	1.0
97.02845	0.6
98.97543	0.7
103.05433	2.5
105.04453	0.1
109.02843	0.1
115.68143	0.1
116.98571	0.4
119.04892	0.2
121.06460	100.0
122.06778	1.1
127.03857	0.2
136.06227	0.7
137.74042	0.1
138.09094	16.4
145.03458	0.1
146.99586	0.1
147.04329	0.4
152.05634	1.2
158.99629	0.1
161.02858	0.1
163.03831	0.4
166.35457	0.1
167.25925	0.1
177.00667	0.1
179.66696	0.1
212.03784	0.1
219.01645	0.1
237.02768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3666
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
52.05720	1.2
53.03933	1.5
53.80713	1.1
54.80976	1.3
55.05494	20.8
57.03421	1.5
57.07050	9.6
64.00457	1.5
67.05484	27.5
69.03373	2.6
69.07040	33.6
69.25095	1.3
72.08132	1.4
79.05461	18.9
81.07025	59.6
82.07373	2.0
83.04914	1.9
83.08586	16.6
84.52011	1.2
85.06492	2.4
88.07607	2.7
91.05439	22.7
93.07003	70.6
94.07344	1.9
95.04951	1.6
95.08564	82.0
96.08907	2.9
97.06480	2.4
97.10152	5.9
99.08039	8.3
104.21401	1.4
105.06989	50.3
106.29000	1.7
107.08555	100.0
108.08887	2.4
109.06481	8.2
109.10119	45.2
110.10449	3.0
111.08024	7.3
113.09545	1.6
115.05457	1.6
117.06951	7.0
119.08532	80.3
120.08900	2.3
121.06460	6.7
121.10093	59.6
122.10443	3.1
123.08031	9.2
123.11662	17.9
124.12003	1.7
129.06999	1.9
131.08510	27.9
133.10074	62.0
135.08011	11.7
135.11633	62.1
136.11958	1.7
137.09586	7.6
137.13187	7.8
139.11133	1.8
143.08536	8.0
145.10074	34.2
147.07974	1.9
147.11644	42.2
149.09576	3.2
149.13213	24.5
151.11108	2.7
153.12666	1.6
156.09250	1.7
157.10098	9.3
159.11629	28.5
160.12206	1.5
161.13197	23.0
163.11029	1.7
163.14763	23.6
165.12744	1.9
169.10101	1.8
171.11627	13.3
173.13174	17.5
175.11211	1.8
175.14755	22.6
177.12656	2.3
177.16367	9.6
179.14209	6.0
183.11641	2.7
185.13168	10.7
186.14034	1.9
187.14766	34.0
189.16316	56.6
191.17929	6.8
192.18271	2.2
193.15781	8.7
197.13245	2.7
199.14767	8.7
201.16272	18.8
203.14293	2.1
203.17874	9.1
204.18216	1.6
205.15807	35.2
207.17363	51.8
210.42598	1.5
213.16309	3.4
214.16876	1.5
215.17857	10.2
217.19463	6.3
219.17429	8.1
221.18866	2.1
227.17834	3.0
229.19446	9.9
231.21249	1.9
241.19376	6.5
255.21074	3.3
269.22543	7.0
273.21964	2.1
275.23532	2.2
287.23471	1.7
331.26263	3.1
357.27750	58.2
369.31268	1.8
381.98914	1.8
383.37054	2.8
391.33597	5.2
399.32364	2.2
400.34409	1.4
409.34531	35.9
413.21802	1.5
426.37607	2.0
427.35483	62.3
444.39902	9.3
445.36285	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.3
57.07044	3.8
62.09597	0.7
63.79271	0.8
67.05471	4.6
69.06718	1.1
69.07046	8.7
70.06558	5.4
79.05450	7.6
81.07016	14.0
83.08601	7.6
85.06464	1.0
86.09703	1.0
88.07593	1.1
91.05453	10.0
91.41712	0.9
93.06996	18.3
95.04936	1.2
95.08569	19.8
97.10116	1.2
102.09180	0.9
105.06998	13.8
107.08564	26.9
109.06505	1.6
109.10129	10.5
111.08044	1.0
117.06918	1.2
119.08542	19.7
121.06464	4.4
121.10108	17.6
123.08033	5.3
123.11663	6.0
124.49928	0.8
129.06943	1.4
131.08531	14.6
132.10124	1.4
133.10086	30.8
135.07996	5.3
135.11639	18.9
137.09624	1.9
137.13190	1.3
143.08504	4.0
145.10075	9.0
147.08014	1.8
147.11650	13.8
149.09566	9.7
149.13216	5.4
151.11180	1.5
157.10089	4.2
158.10884	1.1
159.11639	9.3
161.13191	5.3
163.14789	5.6
171.11633	4.4
173.13248	5.0
175.14767	5.6
177.12679	1.9
177.16331	1.9
185.13179	3.6
187.14775	9.7
189.12703	1.2
189.16321	21.8
190.61754	1.0
191.17874	2.3
199.14696	1.5
201.16312	3.5
203.14255	1.3
205.15804	14.3
207.17390	18.0
215.17841	2.2
219.17361	1.5
227.17903	0.9
282.09296	1.0
331.26050	8.1
338.34229	1.4
357.27744	100.0
358.27863	1.3
358.98398	1.1
382.36523	3.8
383.37003	6.2
409.34586	10.4
427.35559	42.7
444.40253	9.1
445.36420	8.3
445.40762	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	445.3666
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.58802	3.9
55.01870	5.0
55.05495	38.1
57.07062	9.7
58.42855	4.0
62.21268	4.2
62.93033	4.8
67.05477	28.3
69.07035	38.4
71.08604	4.9
71.54239	4.3
79.05457	21.5
79.11592	4.7
81.07037	54.7
83.08582	24.8
91.05432	28.4
93.07007	76.5
95.08567	92.6
98.05363	5.4
99.08041	6.7
105.06987	71.3
107.08563	94.5
109.06479	7.1
109.10114	55.2
109.24999	5.3
111.08044	5.4
114.34541	5.4
119.08544	92.4
121.06467	9.3
121.10099	95.8
123.11649	11.2
131.08534	20.8
133.10077	100.0
135.08041	23.4
135.11629	55.2
137.09610	7.9
144.09308	5.5
145.10092	45.3
147.11658	46.7
148.62875	4.9
149.09578	22.7
149.13237	43.2
151.11163	5.3
157.10052	8.6
159.11653	32.8
161.13219	25.3
163.11133	5.3
163.14792	19.1
171.11600	5.5
173.13235	21.4
175.14745	27.8
177.12718	7.1
177.16364	11.3
185.13193	6.3
187.14775	24.2
189.16310	29.6
201.16331	11.1
203.17932	27.3
205.15866	18.4
213.16284	6.0
219.17331	6.4
237.18388	6.6
298.11020	5.6
301.25034	6.2
329.29590	5.2
397.34253	7.6
409.34570	34.5
427.35757	57.0
445.36395	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	445.3666
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
50.08385	1.6
55.05491	24.8
56.96544	3.0
57.07050	3.4
60.44586	1.7
67.05490	20.5
69.03392	1.8
69.07043	24.1
79.05469	19.7
81.07031	48.8
81.95655	1.7
83.04967	2.4
83.08594	15.6
85.06529	2.1
91.05441	24.8
93.07015	60.0
95.04924	6.3
95.08575	63.5
97.06486	2.5
97.10136	4.3
99.08049	7.8
99.92859	2.0
105.07005	44.9
107.08565	100.0
109.06497	3.9
109.10114	39.1
111.08042	4.1
117.06970	2.8
119.08540	73.0
121.06459	4.6
121.10104	60.5
123.08032	12.1
123.11642	18.7
125.09567	2.6
129.06995	2.3
131.08525	29.9
133.06450	2.0
133.10092	66.2
135.08032	13.8
135.11649	60.7
137.09595	3.7
137.13194	4.5
143.08485	9.7
145.10080	37.5
147.11649	37.8
149.09567	11.9
149.13220	22.9
151.11130	3.7
156.09381	2.3
157.10085	10.8
159.11674	25.4
161.13219	17.8
163.11133	7.7
163.14760	23.9
171.11618	9.6
173.13196	18.4
175.14755	19.8
177.16307	8.1
179.14340	3.0
183.11555	2.2
185.13208	11.6
186.13904	2.4
187.14783	33.1
189.16321	44.5
191.14314	2.5
191.17917	4.4
197.13211	3.0
199.14775	7.4
201.16327	17.8
203.14223	3.3
203.17886	10.3
205.15846	31.5
207.17390	49.0
213.16234	4.1
215.17867	10.7
219.17352	16.7
223.16885	2.8
227.17900	2.7
229.19429	8.7
255.20955	3.5
269.22476	3.8
331.26263	3.2
357.23737	2.4
357.27716	65.4
357.31894	3.7
391.33395	3.2
409.34537	32.6
427.35562	95.2
445.30200	2.8
445.36542	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80546	2.1
55.05499	33.3
56.10606	1.9
57.01168	1.9
57.07069	22.0
64.99743	2.5
67.05482	9.7
68.30901	2.0
69.07046	40.3
71.08607	8.8
79.05458	3.8
81.07030	21.6
83.04966	2.0
83.08596	30.3
88.65347	2.1
91.05399	2.4
93.07009	12.4
95.08612	17.2
97.10129	10.3
101.25098	2.0
101.59976	2.3
105.07011	3.4
106.64070	2.2
107.08582	12.2
109.10126	12.9
111.11662	2.7
113.09615	2.5
119.08532	11.6
121.10114	9.5
123.11646	3.4
131.08513	4.9
133.10080	8.8
135.08029	4.2
135.11655	5.0
137.09566	20.7
139.07478	4.4
145.10072	2.9
147.11656	5.0
149.09558	19.3
149.13298	2.9
163.11176	9.4
165.05434	10.2
165.09067	100.0
173.09601	2.8
174.10422	3.3
175.11148	3.0
177.09103	13.5
189.09090	3.1
189.12791	3.3
189.16342	3.1
191.10655	13.9
203.10605	5.3
205.12253	14.0
205.15636	2.4
217.12178	2.4
219.10052	5.2
221.11809	2.8
231.13773	4.1
237.11072	4.9
427.35559	15.3
428.35913	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81364	2.9
55.05290	2.1
55.05500	31.1
57.07050	15.2
61.99086	2.4
63.14008	2.2
65.76376	2.9
67.05470	5.3
69.07047	30.7
71.08614	3.7
80.65356	2.6
81.07021	15.6
83.08595	24.5
84.64038	2.5
85.06521	12.0
91.05431	3.1
93.07011	14.4
95.08567	16.1
97.10123	13.7
105.06985	4.6
107.08540	15.1
109.06453	2.9
109.10127	11.3
111.11698	3.4
119.08561	5.4
121.10086	5.3
135.08008	5.2
137.09543	14.2
145.09998	4.5
147.11644	2.8
149.09579	14.9
157.10085	3.6
159.07857	2.7
161.09560	3.3
163.11090	5.0
165.09058	100.0
171.11670	3.3
173.09575	3.6
177.09045	6.2
185.13126	3.6
189.08966	4.7
189.12740	3.7
191.10548	14.9
203.10611	10.7
203.14352	3.2
205.12219	11.7
206.36612	2.9
216.11386	5.3
231.13675	5.0
245.15329	3.1
427.35416	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	445.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80516	3.2
55.05499	18.3
57.07052	12.3
58.85126	2.0
60.05633	2.7
62.52882	2.2
64.36385	1.8
65.86619	2.0
67.05485	5.4
69.07035	30.0
70.77708	2.2
71.08614	2.9
72.98649	1.8
79.05472	2.3
81.07027	11.8
83.08587	20.8
84.16231	2.3
91.05828	3.4
93.07002	9.5
95.08575	13.4
97.10130	4.4
105.06995	4.7
107.08562	10.0
109.10136	8.6
119.08513	3.9
121.10100	3.7
133.10010	3.0
135.08017	3.9
137.09566	10.9
149.09622	15.0
158.23808	2.4
159.83087	2.3
163.11105	4.7
165.09061	100.0
167.05479	2.8
173.09581	3.1
177.09047	10.2
187.11165	2.3
191.09004	2.2
191.10568	4.7
203.10614	5.0
203.14328	3.3
205.12186	13.1
219.13742	3.6
310.64413	2.3
397.04517	2.8
427.35477	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	445.3668
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05493	12.8
57.07047	4.3
60.74713	2.1
65.80125	2.5
67.05484	22.7
68.86626	2.3
69.07051	24.1
71.04940	2.3
79.05453	22.1
81.07025	43.8
83.08583	12.8
85.06525	2.9
91.05447	20.8
91.88031	2.7
93.07001	64.8
95.04971	3.5
95.08568	73.3
96.01489	2.5
97.06528	2.8
99.08044	3.3
105.06992	41.8
106.61911	2.6
107.07896	3.7
107.08560	82.3
109.06512	4.6
109.10117	45.0
109.65651	2.5
110.75160	2.5
111.08028	3.1
117.06962	9.5
119.08541	68.8
121.10107	70.2
123.11671	17.2
126.86430	2.4
131.08534	17.9
133.10078	100.0
135.08012	20.9
135.11641	52.6
137.09589	3.2
143.08513	2.9
145.10062	38.9
147.11638	35.9
149.09634	3.2
149.13176	41.6
157.10085	3.6
159.11659	35.8
161.13216	22.6
163.11111	4.5
163.14792	19.0
173.13170	10.6
175.14763	16.5
177.12750	11.4
177.16287	13.8
187.14810	20.4
189.16275	27.7
191.17905	4.3
195.13693	3.4
201.16299	12.6
203.17900	28.4
205.15797	22.5
207.17337	10.8
219.17403	3.0
221.18860	3.3
271.20547	2.8
391.33472	3.7
397.34293	5.0
409.34665	31.4
427.35571	26.4
445.35925	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3666
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03918	2.3
55.01842	2.7
55.05278	2.1
55.05494	35.4
57.07055	9.0
57.57687	1.6
66.37112	1.8
67.05470	19.4
69.07047	30.4
71.08591	3.1
71.91260	1.8
76.55764	1.7
79.05459	16.8
80.34835	2.2
81.07027	42.5
83.08592	26.2
85.06509	2.4
91.05412	21.6
92.09508	2.1
93.00283	1.8
93.07011	57.2
95.04940	2.5
95.08569	73.6
97.06448	2.4
97.10133	4.5
99.08070	2.9
101.33891	1.6
105.06985	36.3
107.08555	77.5
109.06502	3.0
109.09421	2.0
109.10125	48.1
111.07993	7.1
113.09620	2.1
117.06968	7.0
119.08534	61.7
119.11183	1.8
120.08841	2.0
121.10102	48.0
123.08020	7.4
123.11678	16.9
125.02933	1.8
131.08496	30.5
133.10088	57.4
135.08000	12.0
135.11639	52.0
137.09560	4.3
137.13165	2.7
143.08487	4.4
145.10068	29.3
147.11626	37.7
149.09633	14.8
149.13220	22.4
151.11139	2.8
157.10071	4.7
159.11639	25.0
161.09479	3.2
161.13203	21.0
163.11047	2.8
163.14755	19.3
171.11620	8.4
173.13145	14.7
175.14774	15.7
177.16315	4.5
185.13185	9.2
187.14757	28.1
188.15094	2.6
189.16310	39.9
190.16661	2.1
191.14299	3.7
191.17886	7.5
191.36314	1.8
193.15770	1.9
199.14818	7.8
201.16258	15.8
203.17889	11.3
205.15785	23.2
207.17361	37.9
213.16228	2.5
215.17850	11.1
219.17355	19.1
229.19426	8.6
239.17975	2.3
241.19446	3.0
247.20828	2.4
255.21027	4.2
269.22467	2.2
324.10837	2.3
331.26120	2.1
357.27719	30.8
391.33350	7.4
409.34512	31.1
410.34818	7.6
427.35587	100.0
428.35809	29.0
442.28143	2.4
445.36658	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	445.3665
Annotation	BLAZEIN
Peak:m/z	Relative Intensity
55.05490	39.4
55.66717	7.4
57.07061	34.9
59.50347	7.5
66.62482	8.0
67.05475	22.4
69.07045	87.2
70.77209	8.4
71.69366	9.4
79.05468	12.9
81.07021	83.3
83.08585	19.3
85.10152	10.7
91.05389	14.3
93.07005	65.8
95.08563	93.7
97.10108	12.0
102.61515	8.4
105.07007	53.5
106.04710	8.8
107.08541	75.3
109.10134	53.7
111.22172	8.8
111.40382	9.3
117.07057	9.8
119.08542	57.2
121.10126	67.0
123.11687	12.9
131.08521	53.6
133.10077	54.7
135.11647	22.3
145.10069	71.8
147.11659	37.3
155.07112	14.5
159.11662	22.2
161.09515	12.0
165.09048	15.8
171.11794	8.7
173.13297	15.5
316.22446	10.1
341.31918	9.4
343.33481	17.5
385.34213	10.6
427.35391	55.2
445.36652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3664
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05490	15.9
57.03410	2.4
57.07049	2.2
67.05470	15.1
69.03375	1.6
69.07037	27.2
70.72915	1.2
79.05463	12.7
81.07020	30.4
83.04937	2.2
83.08573	9.8
83.37193	1.5
85.06473	1.8
91.00949	1.6
91.05434	9.9
92.09412	2.4
93.06998	38.9
95.07967	1.5
95.08568	44.8
97.06494	3.5
97.10124	14.7
97.81779	1.3
105.06997	26.6
107.08555	69.9
109.06477	1.7
109.10116	33.4
111.08062	2.3
117.06946	2.2
118.37139	1.4
119.08536	35.4
121.10101	50.9
123.11635	9.2
125.09563	2.9
131.08513	8.3
133.10052	22.2
135.11641	34.0
137.13176	2.9
139.11124	7.3
143.08511	3.6
144.09264	1.8
145.10071	23.2
147.11639	20.7
149.13191	8.0
153.12714	10.4
157.10049	3.6
158.10895	1.4
159.11627	35.8
161.13171	18.9
163.11140	3.0
163.14748	39.3
171.11597	3.6
173.13216	3.6
175.14752	9.6
177.16336	2.5
178.87030	1.7
181.15819	28.6
183.11736	1.9
185.13071	4.9
187.14746	16.4
189.16191	6.6
191.17847	6.1
197.13132	2.4
199.14696	3.5
201.16316	37.7
203.17888	33.4
213.16328	5.8
215.17851	7.2
219.17354	45.6
225.16289	2.0
227.17847	8.3
229.19391	5.7
237.18373	12.1
241.19394	1.8
247.20470	2.7
253.19298	1.9
267.20947	1.6
281.22552	2.2
283.24005	6.4
349.28787	1.9
391.33685	12.2
392.02155	1.7
409.34497	100.0
427.35492	22.0
445.36664	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	445.3665
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.00275	0.8
55.01835	1.3
55.05487	13.0
55.05732	0.8
57.03411	0.9
57.07044	3.2
59.42049	0.6
59.57314	0.7
61.05745	0.8
67.05479	12.2
69.07038	24.2
70.56146	0.7
73.63594	0.7
77.03896	0.9
79.05453	9.8
81.07020	26.2
83.04958	1.2
83.08594	9.5
85.06498	3.6
91.05432	11.4
93.07006	38.6
95.04913	1.6
95.08565	50.7
97.06500	4.8
97.10118	13.1
99.08076	1.0
105.06992	26.0
107.08553	74.9
109.06457	1.6
109.10114	30.7
111.08044	1.2
111.11714	1.3
113.09657	1.0
117.06984	1.6
119.08532	35.3
119.09396	1.2
121.10087	44.0
123.08019	1.8
123.11641	10.3
125.09573	4.4
129.06924	1.0
130.07710	1.1
131.08521	10.1
133.10072	31.0
135.11636	39.6
137.13206	4.4
139.11124	9.8
143.08501	4.2
144.09303	1.0
145.10072	21.9
147.11647	20.1
149.09535	1.8
149.13225	7.5
151.11154	0.9
151.79707	0.8
153.12662	8.7
157.10074	4.3
159.11626	31.8
159.81342	0.8
161.13173	15.8
163.11145	1.7
163.14738	41.8
165.12721	0.8
169.10039	1.3
171.11610	4.6
172.12405	1.3
173.13193	12.3
175.14769	12.2
177.12631	1.1
177.16333	4.2
179.14194	3.1
181.15791	27.2
183.11655	1.8
185.13210	4.8
187.14746	18.8
189.16307	6.6
191.14249	1.7
191.17798	7.3
197.13333	1.5
199.14792	1.9
201.16299	42.5
203.17883	37.7
203.19446	1.0
205.15741	1.4
211.14824	2.9
213.16287	6.6
215.17938	6.1
217.15793	0.8
217.19411	1.3
219.17357	51.1
223.14842	0.7
225.16290	2.6
227.17818	10.6
229.19363	7.0
237.18398	14.7
239.17833	1.0
241.19505	1.4
247.20412	4.3
253.19374	1.8
257.22562	1.3
267.20981	1.8
281.22568	0.9
283.24066	5.3
283.27075	0.8
391.33456	9.5
392.56516	0.9
409.34470	100.0
410.34732	1.4
427.35580	24.6
445.36530	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	444.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35752	0.4
55.05484	1.8
57.07034	0.5
58.06564	0.4
60.79115	0.4
61.63189	0.4
67.05486	2.5
69.07040	8.2
73.06532	2.2
79.05478	0.9
81.07015	2.5
83.04940	1.1
83.08610	1.0
84.08098	0.5
84.84332	0.4
86.09677	100.0
91.05418	0.7
93.07013	3.9
95.08562	3.5
105.07003	3.1
107.08551	4.3
109.10112	1.9
110.10483	0.4
112.07619	1.0
119.08548	2.6
121.10101	2.1
131.08557	1.7
133.06453	0.9
133.10095	2.8
134.10495	0.5
135.08035	0.7
135.11693	0.9
136.08441	0.6
145.10071	1.8
147.11601	0.6
149.13223	0.6
159.11653	1.0
161.13290	0.6
162.27896	0.5
163.14758	0.6
173.13213	0.8
185.13254	0.6
186.14833	60.0
187.14989	0.9
189.16307	0.7
201.12653	0.5
203.17783	0.7
205.15839	0.7
214.14305	12.7
281.22324	0.5
295.38852	0.5
299.23294	0.6
314.19510	7.9
355.26172	1.1
356.26611	0.8
399.28433	16.0
425.34067	0.7
426.34406	2.1
427.27963	2.8
443.35263	2.0
444.35419	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	445.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01836	3.3
55.05495	67.7
57.03420	40.2
57.07054	44.2
67.05482	68.6
69.03397	2.8
69.07039	93.7
71.04979	3.2
71.08604	20.2
79.05461	29.7
81.07022	87.1
83.04972	4.0
83.08588	64.0
85.06510	4.0
85.10160	7.6
91.05437	5.5
93.07002	66.4
94.88815	3.5
95.08563	100.0
97.06491	20.9
97.10129	38.3
99.08071	7.0
105.07002	17.2
107.08543	39.5
109.10123	34.2
111.08061	16.2
111.11658	3.3
116.05462	3.6
118.48248	3.5
119.08510	14.1
121.10065	48.2
123.11681	19.0
125.09587	11.9
131.08521	4.8
133.10075	12.7
135.11691	31.0
137.13260	5.4
139.11145	4.7
143.08463	4.1
145.10062	13.6
147.11661	6.7
149.13245	21.2
150.84966	3.3
151.14656	3.5
153.12634	3.2
161.13213	4.7
163.14810	5.3
170.17316	3.1
177.16312	6.2
185.13197	4.6
187.14810	4.7
225.12387	3.9
228.09781	3.3
233.22569	5.3
247.38663	3.4
251.23668	6.0
279.23090	4.5
289.40762	3.6
315.25153	58.1
335.19122	4.0
353.26682	22.2
371.27817	32.2
427.30350	14.3
445.31537	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	444.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
53.60143	0.6
55.01848	1.4
57.03416	37.3
57.06792	1.0
57.07056	19.4
57.08064	0.7
59.04977	100.0
61.02662	0.6
61.02903	11.5
63.64185	0.6
69.03036	1.5
69.03401	39.9
70.06576	1.0
71.01316	3.2
71.04948	1.1
73.02885	64.5
76.00505	0.7
81.03384	5.2
84.54898	0.7
85.02871	58.2
86.09676	1.2
87.04445	7.6
91.03922	1.1
91.05447	0.8
92.63545	1.0
95.04905	1.2
97.02850	55.2
99.04397	1.8
103.03876	1.1
105.06982	1.0
107.04902	1.0
109.02831	6.2
111.04366	1.0
114.92684	0.9
115.03879	31.8
115.11156	16.2
115.60248	0.7
119.71165	0.7
125.05896	0.8
127.03864	13.3
130.78961	0.7
133.04918	8.9
133.11264	1.1
133.12196	29.0
145.04892	10.4
147.04385	0.9
159.30525	0.8
162.67332	0.8
163.05966	1.4
214.83023	0.8
223.05948	1.8
230.86719	0.8
241.06924	3.2
259.08127	3.3
295.10153	1.7
295.17331	1.6
320.36954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61462	0.8
52.57536	0.9
53.00293	1.6
55.01844	1.1
55.05492	1.7
55.51042	0.9
57.03149	1.3
57.03421	29.2
57.07055	17.2
59.04983	100.0
61.02900	5.9
67.05481	4.5
69.03028	2.5
69.03407	77.4
70.06561	2.4
71.01326	1.2
71.04957	5.3
73.02898	17.2
74.09682	1.2
75.04436	1.4
81.03393	2.2
85.02880	62.2
87.04443	40.6
89.05963	2.2
97.02860	61.7
97.10132	1.3
99.04414	5.4
105.03344	2.7
109.02795	1.8
109.10078	1.9
115.03901	47.0
115.11175	15.6
121.06482	1.2
125.43025	1.1
127.03882	7.2
127.11148	18.0
133.04924	38.0
133.12206	27.7
137.05911	1.2
145.04942	6.8
162.09079	1.3
163.05940	1.6
178.99139	1.3
181.04884	16.6
207.56805	1.1
238.05013	1.1
238.10704	6.6
259.08078	4.6
295.10104	2.3
298.49884	1.1
444.24835	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	444.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55045	0.4
50.97343	0.4
53.03915	1.3
55.01854	0.7
55.05486	2.3
57.03379	0.6
57.07059	1.2
59.04976	0.5
65.03892	0.6
67.05466	2.8
69.03397	11.4
69.07032	0.7
79.05445	2.3
81.03370	0.6
81.07019	3.3
83.04944	11.7
85.02872	7.6
85.06512	0.8
88.02953	0.5
91.05437	5.8
93.03367	1.3
93.06998	11.0
95.04936	3.9
97.02856	5.6
97.06470	1.0
105.07011	4.8
107.04926	0.5
107.07879	0.9
107.08546	15.9
109.02845	13.0
109.06494	8.5
109.10130	1.3
111.04391	5.1
113.05962	0.9
117.06963	3.1
119.08537	11.9
121.02789	1.2
121.06461	27.6
121.10096	4.4
123.08008	1.1
125.05891	0.8
129.06915	0.6
131.08516	9.7
133.10080	8.2
135.07999	40.4
137.05939	3.3
137.09540	2.3
138.37906	0.6
139.03818	0.7
142.07722	1.0
143.08522	3.1
144.09335	4.7
145.06403	5.2
145.10080	7.6
147.07986	3.8
149.05974	2.2
149.09581	12.8
150.10359	2.8
151.07518	1.1
151.11133	2.8
153.09021	2.7
155.08531	0.9
157.10077	1.3
158.07225	0.9
158.10835	6.2
159.07974	5.8
159.11618	17.1
160.08748	1.2
161.09570	2.3
163.07484	17.7
163.11110	4.6
165.09036	2.1
167.08591	0.7
168.09216	0.9
169.10097	0.8
170.10870	3.9
171.08011	1.3
171.11691	0.9
172.08762	7.5
173.05917	0.8
173.09560	14.9
173.13187	33.6
175.07375	0.8
183.11623	4.1
185.13145	1.4
186.10324	13.8
187.07524	1.3
187.11101	56.9
189.09081	0.8
189.12688	0.8
191.06969	10.5
193.10004	0.8
196.08855	2.1
201.12677	39.7
203.14201	1.3
205.12172	13.5
211.11092	6.3
214.09799	2.1
219.13699	6.8
229.09807	1.1
229.12140	39.7
247.13184	100.0
248.13637	0.8
265.14243	13.5
296.60086	0.5
336.77124	0.6
376.02548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3874
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05486	26.7
57.07050	16.0
61.69651	2.8
62.54730	3.3
63.21245	2.9
67.05491	33.9
69.06697	4.4
69.07037	39.9
71.04961	22.9
78.54763	3.2
79.05456	20.5
81.07019	92.7
83.08585	16.4
87.04419	4.0
91.05441	22.5
93.07011	59.0
95.08569	100.0
97.10132	6.6
105.06979	30.3
107.08561	86.8
109.10127	82.5
115.06219	3.5
117.06939	4.9
119.08531	55.8
121.10091	70.7
123.11674	33.8
123.12440	4.6
127.11151	14.9
131.08537	8.2
132.85757	3.7
133.10052	47.4
135.08017	6.4
135.11638	47.1
137.13217	16.1
145.10092	19.5
147.11627	21.8
149.13200	32.7
159.11658	23.7
161.13200	18.8
163.14789	8.9
165.09068	15.8
173.13220	21.5
175.14725	18.4
177.16373	7.4
187.14758	9.2
189.16394	15.1
191.17897	20.3
195.17386	4.6
201.16393	5.6
203.17871	7.5
215.17838	6.8
229.19478	15.7
231.21033	13.6
285.25467	5.1
305.49203	3.6
425.37589	69.9
443.33221	38.0
443.38721	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	443.3872
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
52.00355	0.9
53.03917	1.1
55.05247	1.1
55.05494	17.1
57.07042	4.6
61.52782	0.8
61.69701	0.8
62.58141	0.7
67.05481	29.1
69.03411	1.7
69.07036	22.1
71.04940	1.0
71.08578	1.3
76.55170	1.0
79.05468	16.1
80.51913	0.8
81.07021	52.3
83.08584	11.4
91.05445	9.8
93.07002	40.0
95.04972	1.4
95.08567	100.0
96.04527	1.0
97.06480	6.1
97.10134	7.4
99.08038	4.5
105.06996	25.3
107.08559	73.2
109.06520	1.9
109.10118	89.8
111.08015	3.9
111.11658	3.8
117.06973	2.0
119.07216	0.9
119.08533	37.1
121.10095	53.9
123.07948	3.0
123.11655	22.1
125.09581	4.1
127.11129	2.2
131.08514	7.1
133.10088	26.6
135.07942	1.1
135.11644	40.5
137.13205	8.7
143.08572	1.9
144.09154	1.0
145.10077	11.5
147.11650	26.3
149.13219	19.9
152.96786	0.9
157.10106	1.0
159.11659	10.1
161.13203	21.6
163.14755	19.3
165.12788	1.3
171.11568	1.4
173.13188	5.2
175.14723	8.0
177.16292	6.6
179.14262	5.0
185.13144	1.3
187.14798	4.3
189.16345	13.9
191.17871	31.0
201.16347	6.6
203.14174	1.5
203.17889	18.5
205.15868	1.0
205.19461	4.7
207.17337	5.2
213.45247	0.9
215.17928	3.7
217.19432	13.3
221.18983	1.8
229.19350	2.0
233.18822	1.3
235.20454	3.5
245.22435	1.5
257.22510	1.0
259.23862	1.0
299.27249	3.5
355.26077	1.5
407.36612	5.6
425.37778	32.0
443.33746	1.7
443.38632	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	443.3871
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
52.39531	1.3
53.03920	2.1
54.07302	1.2
55.05488	21.9
57.07049	9.0
62.23441	1.5
64.51011	1.3
67.05479	31.0
69.07037	50.1
71.04972	1.4
71.08601	1.7
74.25295	1.3
79.05455	17.6
81.07018	77.9
83.08582	15.2
84.22249	1.3
91.05428	18.9
93.07001	55.3
95.07951	3.3
95.08566	100.0
95.55860	1.4
97.06501	1.4
97.10120	7.2
99.08062	1.8
105.06989	48.8
106.07339	1.8
107.02404	1.4
107.08553	96.4
109.06479	2.3
109.10117	63.0
111.11690	7.6
117.06970	8.8
119.08530	63.9
121.10091	60.7
123.07977	3.1
123.11645	31.7
129.06952	2.7
131.08517	16.5
131.63425	1.5
133.10071	54.2
135.08002	5.6
135.11636	75.7
137.09631	1.6
137.13220	9.4
143.08510	5.8
145.10051	24.5
147.11639	42.7
149.13213	29.7
151.11162	2.0
151.14745	1.5
157.10081	8.9
159.11646	24.7
161.13203	49.1
163.11101	2.1
163.14749	28.4
171.11604	11.1
173.13194	18.0
175.14742	25.9
177.16348	14.8
179.14246	12.4
182.10814	1.3
185.13222	5.7
187.14757	16.2
189.16318	39.8
191.14143	1.5
191.17804	11.0
199.14703	6.9
201.16307	16.2
203.17804	10.5
205.15843	2.0
207.17363	40.5
213.16293	3.4
215.17899	12.0
217.19452	10.7
227.17923	5.5
229.19563	3.0
231.20995	6.3
239.17763	1.9
241.19368	2.3
245.22540	19.2
255.20874	5.1
257.22522	5.6
259.24036	2.2
269.22540	6.4
271.23962	1.7
273.08200	1.4
283.24219	3.1
399.40292	1.5
407.36572	68.6
425.37875	27.9
443.39059	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	443.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.9
55.05494	22.5
57.07050	5.8
67.05489	24.3
69.07047	29.1
79.05464	13.5
79.60473	0.8
80.18123	1.1
81.07030	45.9
83.04967	1.4
83.08595	34.5
85.08775	1.0
91.05449	10.6
91.46409	1.1
93.07011	31.6
95.08577	100.0
97.10110	4.1
99.08024	2.4
105.06998	24.6
107.08570	51.5
107.34397	0.9
109.06436	1.7
109.10134	45.1
111.08044	12.8
113.09576	1.3
115.75719	1.0
117.06985	3.9
119.08538	40.6
121.10108	39.9
123.08006	4.9
123.11668	19.5
125.09592	4.2
129.09076	14.4
131.08527	8.4
133.10092	27.4
135.11659	24.2
137.09630	1.7
137.13216	15.8
139.11165	2.4
143.08534	2.2
145.10107	13.7
147.07916	1.0
147.11653	25.2
149.13231	13.6
157.10100	5.5
159.11652	13.0
161.09573	1.0
161.13206	16.8
163.14757	15.6
171.11623	3.9
173.13219	10.2
175.14737	9.2
177.16351	10.2
179.14217	2.5
179.17824	1.2
185.13210	1.7
187.14763	8.1
189.16364	10.3
191.17880	29.6
192.57430	1.0
199.14742	1.8
201.16238	5.8
203.17972	10.0
205.15839	4.8
207.17331	2.4
209.13135	1.2
213.16342	2.4
215.17722	2.0
217.15898	1.6
217.19487	11.6
219.17369	1.6
221.19000	1.6
227.17801	1.4
229.19398	2.3
235.20534	8.3
239.18025	1.3
362.20190	1.1
385.31985	1.3
395.36481	1.5
407.32639	4.6
407.37149	1.4
425.33170	5.8
425.37573	12.5
443.34067	3.2
443.39166	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	443.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	20.3
55.06358	8.1
57.07084	13.8
64.32820	9.3
67.05456	33.3
69.07035	16.9
70.14909	8.3
71.04956	13.6
71.38023	7.8
79.05451	19.9
81.07028	68.0
83.08585	12.1
91.05417	14.0
93.07012	77.7
95.08575	100.0
105.06989	66.9
106.93359	9.4
107.08553	95.6
109.05261	9.2
109.10109	85.1
113.45210	8.3
119.08553	92.3
121.10076	84.3
123.11663	20.4
128.69714	8.3
131.08531	18.8
133.10088	88.5
135.11621	87.7
137.13199	13.3
145.10081	14.4
147.11638	39.9
149.13242	22.8
159.11610	22.7
161.13223	34.2
163.14760	10.5
173.13135	9.3
175.14761	12.4
187.14687	8.8
189.16309	18.8
191.17854	82.5
201.16286	10.5
203.17871	36.7
217.19510	21.1
229.95778	8.4
425.37701	87.8
443.33414	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3872
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.93703	0.9
55.05500	12.5
57.07052	4.9
67.05151	1.8
67.05481	32.4
69.03413	1.6
69.07040	23.2
78.98264	1.0
79.05456	14.3
81.03408	1.1
81.07026	54.7
83.08587	9.5
85.36609	1.0
91.05443	13.5
93.06425	2.3
93.07011	44.2
95.04930	1.7
95.08572	100.0
97.06477	2.7
97.10125	6.5
99.08061	4.1
105.07001	30.2
107.08560	66.1
109.06454	1.6
109.10122	96.7
111.08044	2.4
111.11683	2.5
117.06947	2.1
119.07732	2.1
119.08533	39.0
120.30140	1.1
121.10101	52.0
123.08031	1.8
123.11652	24.7
125.09563	2.5
127.11139	1.4
131.08514	6.1
133.06490	1.4
133.10091	24.9
135.07957	1.3
135.11647	38.9
137.13245	8.5
143.08563	2.2
145.10083	12.0
147.11650	27.5
149.13211	21.6
151.14786	2.3
157.10080	2.0
159.11612	12.3
161.13191	23.1
163.14774	19.9
173.13199	7.5
175.14790	11.7
177.16374	7.9
179.14224	4.8
185.13145	1.6
187.14761	7.6
189.16306	20.4
191.17894	25.4
199.14786	2.0
201.16307	8.8
203.14203	7.7
203.17899	21.1
207.17366	6.0
215.17880	4.1
217.19455	15.0
221.18990	2.4
229.19511	2.7
233.18817	1.4
235.20528	2.2
241.19377	1.3
243.21004	1.8
245.22519	1.7
257.22534	2.3
379.33356	4.4
397.34384	2.3
407.36938	2.2
425.38046	23.7
443.38556	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	17.5
55.37820	2.1
57.07048	4.5
62.67730	2.0
67.05492	19.6
69.07036	31.2
71.04962	13.8
71.08610	4.1
79.05473	16.5
79.05862	1.9
79.80656	2.3
81.07027	58.1
83.08614	8.2
88.01849	2.2
90.06823	2.3
91.05447	100.0
92.09293	3.3
93.07014	43.4
95.08576	51.6
97.10133	5.6
99.08068	2.9
105.06999	39.7
107.08563	56.2
108.08096	14.5
109.06496	3.6
109.10117	49.5
119.08546	36.3
121.10109	36.5
123.11637	21.3
126.43666	2.7
127.11185	5.8
131.08517	4.2
133.10092	32.8
135.11662	32.3
137.13187	3.1
145.10095	15.7
147.11629	31.5
149.13206	21.4
157.10025	2.8
159.11646	22.0
161.13235	24.9
163.14742	13.2
165.12714	3.3
171.11647	3.3
173.13203	10.9
175.14743	21.3
177.16336	3.9
187.14778	11.0
189.16331	10.6
191.17841	10.8
196.68903	2.3
201.16331	3.7
203.17961	11.9
213.16200	2.6
215.17918	8.8
217.19524	17.8
229.19437	3.5
231.21135	3.4
259.24048	3.0
272.82532	2.4
369.30890	2.6
398.30417	29.2
425.37784	35.9
443.33310	25.3
443.38898	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	443.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82746	1.4
52.04805	1.6
55.05485	16.0
57.07039	8.6
67.05479	21.5
69.07034	23.5
69.75660	1.6
79.05460	12.8
79.89651	1.6
81.07022	46.0
83.08577	12.6
83.91042	1.9
88.97077	1.9
91.05438	11.2
92.08720	3.3
93.07001	40.7
95.08566	100.0
97.10106	8.5
97.73534	1.4
99.08065	2.4
100.82647	1.9
105.06991	31.8
107.08555	71.6
108.01796	1.7
109.09404	3.3
109.10114	62.8
117.73687	1.5
119.08541	42.2
121.09280	2.8
121.10100	58.6
123.08074	1.9
123.11652	23.5
125.09579	4.0
131.08519	7.9
133.10078	27.9
135.11650	32.5
137.13187	4.2
139.11136	6.6
144.58202	1.8
145.10069	12.3
147.11641	29.2
149.09592	1.9
149.13188	22.6
157.10083	2.6
159.11617	8.6
161.13202	21.3
163.11098	3.3
163.14755	25.2
165.12709	2.8
173.13187	4.2
175.10991	1.6
175.14784	12.5
177.16325	10.7
179.14253	1.8
185.13222	2.0
187.14748	7.7
189.16309	11.4
191.17862	58.0
191.19464	3.2
201.16341	2.9
203.17868	14.5
205.15778	8.1
205.19411	6.7
215.17966	2.9
217.19427	22.9
221.18961	3.6
235.20496	18.0
245.22485	2.1
255.69753	1.8
273.28848	1.7
355.25909	2.4
395.36346	2.6
407.32349	2.5
413.37366	3.6
425.33182	7.8
425.37567	16.9
443.33478	14.8
443.38821	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	443.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05491	14.7
57.07049	4.9
67.05481	35.6
69.07047	22.7
70.23535	1.8
71.04951	2.0
77.30494	2.1
79.05448	16.2
81.07011	57.2
83.08570	13.8
85.06518	2.4
87.99424	2.1
91.05425	19.4
91.60317	2.1
92.76505	2.3
93.06998	52.2
95.04922	2.5
95.08562	100.0
97.06474	4.1
97.10120	3.8
99.08029	2.8
105.06993	27.5
107.08552	79.9
109.10120	91.4
111.08045	2.6
119.08534	46.0
121.10101	53.8
123.08015	3.1
123.11671	23.4
131.08551	9.3
133.10081	37.0
135.11636	44.8
137.13211	10.3
143.08525	2.4
145.10071	14.2
147.11642	33.5
149.13205	28.1
152.23883	2.2
157.10040	3.7
159.11603	17.3
161.13177	21.6
163.14748	18.3
171.11626	2.3
173.13162	8.4
175.14757	13.0
177.16330	9.0
179.14212	5.0
187.14711	9.9
189.16319	13.9
191.17876	23.0
193.04831	2.1
199.14771	4.1
201.16327	9.5
203.17844	16.6
207.17397	5.0
215.14516	2.5
215.17859	3.2
217.19386	12.6
221.18886	2.2
245.22569	3.8
296.83267	2.6
425.38284	20.7
443.34512	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	443.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	5.0
57.07050	3.8
67.05490	16.1
69.07037	10.8
74.05381	2.4
79.05452	12.9
81.07019	21.8
83.08574	4.8
87.04427	11.9
91.05437	15.5
93.07016	33.3
95.08566	41.6
99.08057	19.6
105.07006	32.0
107.08557	45.1
107.67274	2.2
109.10129	37.4
111.08051	2.9
111.81358	2.2
117.06917	3.0
119.07758	2.8
119.08544	55.0
121.10086	35.1
123.11615	5.5
127.07514	5.0
131.08557	28.4
133.10097	33.4
135.05133	2.2
135.11690	28.4
135.88133	2.0
139.85985	2.2
145.10092	25.7
147.07990	2.7
147.11652	58.0
149.13231	10.0
155.94414	2.3
157.10077	5.6
159.11633	20.5
161.13206	15.4
163.11061	3.0
163.14737	13.8
170.10912	2.6
171.11592	4.9
173.13210	10.1
175.14799	4.7
175.46194	2.1
177.16425	7.6
185.13176	8.8
187.14769	17.4
189.16307	13.0
191.17966	7.4
199.14769	5.0
201.16302	23.9
203.14185	3.2
203.17795	5.6
205.15793	12.1
207.17456	2.7
213.16290	3.8
215.15947	2.1
215.17921	4.3
219.17355	5.5
223.16837	10.7
318.01358	2.7
407.32794	8.7
422.33871	2.5
425.33759	22.6
443.33423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15472	3.1
55.05486	18.7
63.65091	2.9
67.05498	26.2
69.07050	32.4
74.60850	3.1
79.05463	19.6
81.07034	52.2
83.04972	5.8
83.08606	5.1
91.05440	32.1
93.07015	55.6
94.05209	3.2
95.04967	5.4
95.08570	77.2
97.10117	4.9
105.07000	81.4
107.08560	70.6
109.06478	4.5
109.10128	37.6
117.06980	8.0
119.08554	73.2
121.06490	5.6
121.10117	50.6
123.08041	6.9
123.11671	17.6
131.08540	26.0
133.10098	72.0
135.11690	25.3
137.09587	3.8
143.08554	15.3
145.10057	37.1
147.11662	48.6
149.13232	18.2
157.10121	16.4
159.11681	25.4
161.13237	28.8
163.14766	20.4
171.11586	4.9
173.13255	26.0
175.14767	29.4
177.16330	7.2
185.13214	4.8
187.14742	17.8
189.16258	8.5
191.14276	6.6
191.17928	16.6
199.14766	4.6
201.16328	6.1
203.14253	15.5
203.17886	100.0
205.16081	5.2
211.14944	4.5
239.16248	7.0
285.03769	3.6
395.33270	4.1
407.32959	5.7
425.33994	18.1
443.34903	16.5
443.88727	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	443.351
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05490	18.2
57.07055	4.1
57.75299	2.5
67.05478	22.7
69.07043	20.7
79.05467	22.9
81.07019	36.4
83.08579	12.5
85.06520	3.4
91.05435	26.9
93.07008	46.6
93.98526	2.7
95.08568	50.3
97.10164	4.3
99.08051	18.6
102.82268	2.6
105.07006	44.3
107.07906	3.7
107.08562	100.0
107.09259	3.5
109.06460	4.6
109.10128	41.4
111.08062	3.7
119.08536	87.0
121.10104	52.1
123.11662	18.3
131.08551	42.4
133.10088	54.3
135.08000	3.1
135.11652	37.3
137.09544	3.3
137.13185	4.4
143.08493	6.4
145.10104	40.3
147.11644	59.6
149.13219	7.2
157.10078	11.3
159.11650	32.7
161.13225	29.0
163.11028	3.5
163.14737	10.9
171.11725	4.9
173.13199	19.3
175.14771	18.9
177.16391	5.1
185.13231	5.3
187.14803	35.2
189.16313	11.4
191.17937	17.0
199.14795	7.0
201.16302	30.5
203.17851	4.6
205.15874	23.0
215.17825	5.1
219.17346	11.3
223.16815	3.7
264.43500	3.3
389.32025	4.4
407.32867	19.9
425.33984	21.1
443.35089	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	443.351
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05488	12.3
57.07050	4.2
67.05472	13.1
69.03350	2.3
69.07039	15.2
70.78388	1.9
74.33223	2.1
79.05462	26.5
81.07024	39.7
83.08580	2.8
85.06499	2.7
91.05431	19.3
93.07004	52.5
95.04922	2.9
95.08562	52.0
97.06487	3.1
99.08046	15.3
105.06993	88.5
107.08559	100.0
109.06471	4.4
109.10111	24.0
117.06962	8.0
119.08526	80.1
121.10085	40.0
123.11650	16.4
129.06975	4.7
131.08505	43.4
132.82137	2.2
133.06429	9.0
133.10077	45.2
135.11636	58.1
137.09560	5.1
137.13194	2.2
142.07715	4.3
143.08504	23.1
144.56529	2.1
145.10085	33.2
147.11629	43.0
149.09534	4.3
149.13246	15.7
151.11121	4.6
157.10042	19.6
159.07918	2.3
159.11615	23.9
161.13231	23.9
163.14767	11.2
169.10143	4.4
170.10881	3.1
171.11623	12.8
173.13164	31.4
175.14746	18.6
177.16328	2.5
183.11591	4.4
185.13225	16.0
187.14771	13.3
189.16309	55.3
191.17932	10.0
197.13234	4.9
199.14735	20.5
201.16330	12.6
203.14182	15.4
203.17816	3.2
207.17378	58.1
211.14847	4.5
213.16331	9.6
215.17848	9.0
241.19495	2.7
253.19312	3.5
267.21072	2.6
353.28082	4.3
389.31909	3.2
395.80762	2.4
407.33060	29.8
425.34003	92.8
443.35059	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	443.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.8
55.05487	11.3
56.42970	1.3
57.03400	2.1
57.07064	3.8
58.78402	1.4
67.05466	17.5
69.03418	2.5
69.07043	26.6
73.02850	1.7
75.25192	1.3
79.05453	15.7
81.07024	36.0
83.04940	7.4
83.08598	8.3
85.06499	3.4
91.05444	20.6
92.63654	1.4
93.06998	49.6
95.04924	3.3
95.08565	66.2
95.09140	3.1
97.06491	3.8
97.10131	3.1
99.08038	6.4
101.06007	3.2
105.06989	50.1
107.08552	67.8
108.81771	1.4
109.06493	13.4
109.10108	38.9
111.07998	1.7
117.06953	2.9
119.08531	67.6
121.06415	2.4
121.10094	55.3
123.08031	17.2
123.11667	14.0
125.09599	3.2
129.06960	2.4
131.08507	16.9
131.23587	1.4
133.06467	2.9
133.10085	51.1
135.08029	17.9
135.11635	55.2
137.09601	3.7
137.13191	1.9
139.11157	9.8
143.08499	13.2
144.73560	1.8
145.10083	27.1
147.08038	3.3
147.11633	33.8
149.09579	2.0
149.13197	10.5
151.11122	18.7
156.09286	1.7
157.10049	16.7
158.10799	2.5
159.11621	24.1
161.09531	6.0
161.13199	42.5
163.14757	32.7
165.76025	1.8
169.10085	2.9
171.11607	9.9
173.13235	16.5
175.11113	2.8
175.14761	17.1
177.12756	2.8
179.14235	39.7
181.15785	2.5
183.11681	3.5
185.13191	12.3
187.14790	13.8
189.12650	3.7
189.16339	25.3
191.17920	9.8
198.12204	1.6
199.14728	17.3
201.16321	26.9
203.14322	9.9
203.17912	27.0
205.15739	1.8
207.13843	2.3
207.17357	19.9
211.14877	2.1
213.16254	8.0
215.17937	7.3
217.15785	35.7
219.17397	3.3
227.17868	7.8
229.19373	3.1
235.16862	31.1
239.17809	2.1
241.19293	2.4
255.21054	3.7
257.22525	2.1
269.22513	2.5
285.22034	1.6
389.23160	1.5
389.31873	8.3
407.32895	100.0
425.33914	36.4
443.34976	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	443.3511
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05494	16.9
57.03423	1.8
57.07048	4.2
67.05482	19.2
69.07040	24.1
79.05470	21.9
81.07028	45.7
83.04945	1.7
83.08573	7.0
85.06497	8.5
91.05445	18.3
93.07006	57.1
93.80068	1.9
95.04915	4.0
95.08570	54.0
97.06484	4.4
99.08069	15.4
105.06991	67.9
107.08557	100.0
109.06480	16.5
109.10120	35.1
111.08033	3.6
113.04507	1.7
113.05954	10.1
114.06271	2.8
117.06978	4.0
119.07732	3.3
119.08537	69.3
121.10106	47.9
123.08000	6.9
123.11656	16.9
128.06073	1.9
129.06908	3.5
131.08534	33.0
133.06401	3.0
133.10074	51.4
135.07986	2.6
135.11641	52.3
137.09583	2.9
137.13193	2.4
139.11064	4.4
141.06966	1.7
142.07756	2.1
143.08508	18.8
145.10103	28.7
147.07947	2.4
147.11644	40.1
149.13213	10.2
151.11130	3.2
153.12721	2.0
155.08427	2.8
157.10112	19.1
159.11652	30.9
161.13188	29.7
162.03026	2.2
163.14722	31.4
169.10109	7.5
171.11635	14.6
173.13220	21.9
175.14774	17.6
177.12682	3.9
177.16339	7.7
179.14256	11.8
183.11613	9.9
185.13210	13.2
187.14737	20.9
189.12694	2.7
189.16324	48.4
191.17903	10.5
197.13216	3.1
199.14793	20.6
201.16354	16.8
203.14261	11.9
203.17908	13.5
205.15796	11.7
207.17374	37.3
211.14772	3.4
213.16284	13.8
215.17975	6.7
217.15762	8.9
221.15300	2.8
225.16263	2.5
227.17877	7.1
229.19513	2.5
235.16817	8.7
237.16287	2.4
241.19373	7.8
253.19221	2.1
255.20990	20.1
256.21832	2.5
257.22583	2.4
267.20889	2.1
281.22549	8.7
299.23193	2.4
366.68475	2.1
389.31763	8.2
407.32874	38.3
425.33963	68.8
442.33899	2.2
443.34888	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	443.3512
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.94408	2.8
53.00283	3.0
53.77425	2.2
55.01849	6.5
55.05495	58.9
55.75668	2.7
56.89026	2.6
57.07051	3.1
67.05476	22.0
69.03391	4.0
69.06728	4.1
69.07044	60.6
71.04950	3.5
79.05481	24.7
81.07021	49.9
83.04945	3.6
83.08125	5.6
83.08593	100.0
85.06579	3.0
91.05447	20.9
93.07013	47.8
95.08022	5.5
95.08573	87.8
97.06504	3.2
99.08047	28.9
105.07013	42.8
105.67895	3.2
107.08561	72.5
109.06503	5.0
109.10140	31.0
111.08064	29.9
113.09591	7.2
119.08533	56.8
121.10095	41.1
123.08028	19.7
123.11666	7.3
129.09076	45.2
131.08516	19.7
133.10100	38.8
135.07970	4.1
135.11646	33.9
137.09569	4.0
143.08508	7.4
145.10039	23.5
147.11646	32.4
149.13248	7.9
157.10007	5.3
159.11610	24.9
161.13194	19.1
163.11028	3.7
163.14793	7.9
165.09047	6.0
169.09996	3.7
171.11624	3.6
173.13231	5.8
175.14709	15.0
183.11609	4.0
185.13170	7.6
185.35431	3.2
187.14774	15.3
189.16266	24.6
191.17883	5.7
197.13170	4.0
201.16315	15.4
203.14218	7.0
203.78996	3.7
205.15689	4.1
207.17398	17.5
217.19380	3.1
352.81323	4.4
407.33145	6.6
425.33911	32.5
443.35092	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3508
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05500	42.9
57.07056	5.9
59.04996	4.7
67.05490	31.8
69.07051	46.4
79.05479	26.6
81.07026	56.3
83.04939	4.3
83.08582	23.3
85.06525	5.8
87.04432	4.9
91.05476	27.7
91.48350	3.4
93.07008	64.3
95.08572	73.4
97.10110	7.3
99.04437	4.9
99.08014	4.1
105.06999	53.6
106.94637	3.7
107.08562	100.0
109.06483	3.9
109.10126	45.9
117.06978	17.4
119.08547	92.2
121.10107	68.2
123.11698	16.4
129.06973	6.7
131.08531	31.5
133.10085	62.5
135.07961	3.6
135.11636	29.3
137.09540	4.4
137.13165	4.7
142.07736	5.0
143.08525	24.8
145.10078	41.5
147.11684	40.4
149.09541	4.2
149.13205	13.6
156.09334	5.2
157.10074	34.8
158.10832	5.0
159.11639	37.4
161.13252	15.5
163.14737	24.2
170.10805	4.8
171.11627	26.5
173.13213	29.5
175.11063	4.2
175.14743	7.3
181.12283	5.0
183.11652	4.0
185.13228	32.1
187.14735	46.0
189.16324	13.9
197.13219	5.9
199.14729	17.6
201.16328	17.6
213.16245	7.4
215.17841	15.7
229.19382	5.4
230.30965	3.4
241.19493	4.2
257.22614	3.8
263.20038	5.0
273.21896	5.1
287.23523	7.9
383.29285	3.8
407.32901	7.0
425.34048	34.0
443.34503	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	443.3509
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
55.05494	16.3
57.06831	2.2
57.07059	28.6
57.99348	2.2
60.68655	2.1
67.05479	18.7
69.02628	2.6
69.07041	30.9
71.04964	5.9
71.08604	16.0
73.16903	2.6
79.05463	16.6
80.69371	2.8
81.07026	50.2
83.08562	4.2
91.05442	15.0
93.07020	44.0
95.08569	56.7
105.06998	21.4
107.08557	52.6
109.10119	45.3
109.49237	2.8
113.25538	3.0
119.08538	27.1
121.10100	31.9
123.11653	20.8
127.11220	5.0
131.08551	5.2
133.10057	19.5
134.07236	5.8
135.08011	17.0
135.11655	25.7
137.09633	11.6
145.10091	11.2
147.11667	12.0
149.09599	15.4
149.13249	17.0
159.11662	6.7
161.13220	5.7
163.14809	11.5
165.09047	100.0
173.13182	6.0
175.14700	6.1
177.09125	2.9
177.16304	4.6
187.14821	5.0
189.16376	11.0
191.10718	3.3
191.17857	11.8
199.14809	3.3
201.16342	3.3
203.17928	3.5
205.12198	18.4
215.17973	3.3
229.19620	3.1
303.39398	2.9
425.37610	28.9
443.33762	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	443.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15472	3.1
55.05486	18.7
63.65091	2.9
67.05498	26.2
69.07050	32.4
74.60850	3.1
79.05463	19.6
81.07034	52.2
83.04972	5.8
83.08606	5.1
91.05440	32.1
93.07015	55.6
94.05209	3.2
95.04967	5.4
95.08570	77.2
97.10117	4.9
105.07000	81.4
107.08560	70.6
109.06478	4.5
109.10128	37.6
117.06980	8.0
119.08554	73.2
121.06490	5.6
121.10117	50.6
123.08041	6.9
123.11671	17.6
131.08540	26.0
133.10098	72.0
135.11690	25.3
137.09587	3.8
143.08554	15.3
145.10057	37.1
147.11662	48.6
149.13232	18.2
157.10121	16.4
159.11681	25.4
161.13237	28.8
163.14766	20.4
171.11586	4.9
173.13255	26.0
175.14767	29.4
177.16330	7.2
185.13214	4.8
187.14742	17.8
189.16258	8.5
191.14276	6.6
191.17928	16.6
199.14766	4.6
201.16328	6.1
203.14253	15.5
203.17886	100.0
205.16081	5.2
211.14944	4.5
239.16248	7.0
285.03769	3.6
395.33270	4.1
407.32959	5.7
425.33994	18.1
443.34903	16.5
443.88727	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	443.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81285	0.7
55.01841	1.2
55.05483	3.1
57.03395	0.8
61.02894	1.0
67.05470	1.2
68.99752	0.7
69.03389	5.9
69.07027	3.4
71.04945	0.9
79.05461	1.5
81.03376	4.6
81.07024	4.3
83.08583	1.7
85.02853	7.7
87.00787	4.4
91.05410	1.2
93.07007	7.0
93.39111	0.6
95.08560	14.3
97.02846	3.6
97.10151	0.9
99.04410	0.9
99.08051	1.2
105.01814	1.1
105.06986	2.8
107.08556	11.4
109.02828	4.0
109.10117	1.7
117.07001	0.9
119.01811	1.0
119.08501	3.7
121.06521	1.0
121.10095	16.3
123.11676	1.6
127.03859	6.8
133.10164	2.1
135.11658	4.8
137.13249	0.8
145.02754	1.2
145.04897	1.1
145.10074	1.3
149.13222	1.5
159.11729	0.8
163.11159	1.0
175.14865	0.8
177.05377	1.4
177.16299	13.4
180.22485	0.8
195.17386	1.3
209.83786	0.8
231.04849	1.3
271.04279	1.2
303.01532	0.7
328.27802	0.8
339.17639	0.8
357.18665	4.4
381.18393	3.6
399.19669	13.6
425.17648	17.9
443.18658	100.0
444.18954	0.8
456.04385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
55.01857	10.2
55.05482	25.6
57.03416	7.6
59.04926	3.8
61.02911	5.3
61.37195	3.5
65.02914	3.3
67.05482	36.1
69.03407	30.3
69.07045	49.0
71.04955	8.0
79.05454	31.7
81.03378	17.6
81.07018	68.3
83.04960	6.1
83.08578	9.3
85.02871	59.0
86.24541	3.9
87.00799	31.0
87.42186	3.8
91.05432	25.9
92.08639	7.2
93.07016	58.2
95.04903	5.7
95.08569	100.0
97.02854	18.3
97.06449	4.7
99.04420	5.2
99.08064	6.7
105.01835	9.4
105.07006	51.9
107.04826	5.5
107.08559	82.0
109.02859	7.7
109.06454	6.2
109.10141	33.2
111.04437	4.2
111.08060	4.7
111.11739	4.5
117.07001	9.0
119.08563	48.8
121.06429	8.3
121.10098	84.7
123.08025	6.8
123.11661	24.2
127.03860	16.7
128.06259	4.4
129.06976	9.7
131.08488	25.9
133.10051	30.0
135.08002	5.6
135.11656	30.3
137.09560	5.7
143.08530	9.5
145.10080	33.2
147.07997	8.4
147.11662	16.4
149.13193	8.4
151.07469	6.8
157.10130	15.1
159.02798	4.8
159.11626	24.3
160.12022	5.0
161.13181	22.7
163.14844	9.9
165.09030	23.1
171.11589	7.7
173.13173	19.6
175.09309	4.0
175.14761	25.6
177.16342	51.7
185.13112	4.6
187.14703	18.5
188.96571	3.7
191.10526	4.4
199.14777	6.1
201.16376	14.2
205.15858	4.7
207.11504	4.7
267.17145	5.4
357.47311	4.3
377.92560	4.6
384.46259	4.4
407.20380	8.0
425.21796	7.0
442.34326	4.5
443.26450	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	443.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
57.29290	0.4
67.05482	1.3
69.03392	3.7
69.07037	2.8
79.05453	0.8
81.03394	2.5
81.07030	2.8
83.08597	2.2
85.02899	4.5
85.03307	0.5
87.00794	1.0
91.05431	1.1
93.06999	3.7
95.04924	0.7
95.08566	7.2
97.02868	0.9
99.08038	1.4
105.06973	1.0
107.08574	5.5
109.02843	1.1
109.10149	1.2
119.08517	1.0
121.10104	8.2
123.11660	0.8
125.09644	0.7
127.03887	2.8
133.10092	0.8
135.11630	2.6
137.13225	0.7
145.02805	0.7
147.65858	0.7
152.19382	0.6
161.02892	0.9
177.16351	7.2
195.13635	0.6
213.18457	0.7
215.26047	0.7
271.04166	1.1
357.18671	3.9
381.18692	3.4
399.19666	14.7
425.17603	16.4
443.18674	100.0
444.19110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79206	3.0
54.25217	2.9
55.40969	3.2
55.74453	3.2
58.43153	3.0
67.05492	3.6
69.07028	7.9
81.07012	24.4
87.02159	3.6
87.04419	16.3
90.05696	3.8
92.08787	5.4
93.06999	5.8
95.08577	7.6
95.35507	4.5
109.10133	13.6
121.06464	7.4
121.10112	5.4
136.08859	13.1
137.09570	20.8
149.09639	4.5
156.35555	4.7
164.08266	30.6
165.09039	100.0
175.50749	3.8
203.10585	20.8
205.12106	4.5
368.41693	4.3
424.33243	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	443.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96514	0.7
57.03408	0.9
67.05453	0.8
69.03386	5.1
70.06554	3.0
70.53714	0.6
72.08134	0.9
73.02885	1.2
74.09676	1.6
79.05468	0.9
81.03384	1.6
83.01037	1.0
83.04961	0.7
85.02413	1.1
85.02871	11.1
85.06524	0.9
87.04430	1.9
95.01041	4.3
95.04927	1.0
97.02827	3.0
102.43793	0.8
104.48158	0.8
109.02849	1.3
112.01293	1.4
113.02106	5.9
113.09599	1.2
115.03876	4.2
117.98560	0.7
119.08517	1.6
121.10068	1.0
127.03836	1.8
131.23477	0.8
145.04919	1.2
149.82831	0.8
155.07002	0.9
157.04649	1.6
159.07994	1.6
163.03831	3.1
177.09026	1.0
185.04144	8.3
186.24091	0.8
201.03590	1.7
203.05205	1.2
206.05441	22.1
249.07191	1.5
259.07898	3.0
272.43314	0.7
281.09787	0.9
307.89581	0.7
412.13055	0.9
443.14951	100.0
444.14746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11709	1.9
55.05489	5.5
57.07056	42.2
61.02903	2.4
62.21006	2.2
65.11341	2.0
69.03388	4.0
69.07039	2.7
71.08607	50.2
79.05450	5.1
81.03357	3.0
81.07004	9.8
83.61533	2.1
85.02878	18.6
89.05994	100.0
91.05444	3.9
93.07006	9.9
94.33443	2.2
95.08571	10.8
97.02853	4.5
102.10464	1.9
105.06993	12.4
107.07037	2.7
107.08566	13.9
109.10114	9.5
119.08546	16.0
121.10102	9.1
127.03831	2.5
131.08511	5.2
133.08549	15.1
133.10083	11.4
137.04390	2.0
140.53720	2.1
143.08582	2.9
145.10088	10.1
147.11621	8.6
148.12012	3.2
151.09634	31.3
157.10063	4.5
157.15712	3.6
159.11732	3.5
160.11995	3.3
161.13139	2.9
165.09032	10.2
166.09328	3.4
169.09990	2.2
171.11630	4.6
173.13214	4.6
183.11572	2.8
189.16335	3.1
201.18198	2.6
202.16664	2.5
263.22076	89.1
376.40433	2.2
424.32944	3.3
460.67776	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01832	1.4
55.05485	2.4
57.03154	1.6
57.03416	30.6
59.04973	6.3
59.68313	1.2
60.56376	1.3
61.02893	6.5
67.05466	2.2
69.03410	80.6
69.07026	2.5
69.65993	1.4
73.02885	3.1
75.04430	5.6
81.03384	6.4
81.07002	6.5
85.02879	100.0
87.04438	51.0
90.80473	1.4
91.05444	2.7
93.06996	8.0
95.08561	9.9
97.02852	66.0
99.04419	3.1
105.06985	10.7
106.07316	1.7
107.08551	9.3
109.02834	6.0
115.03898	45.2
119.08542	6.9
121.06499	2.3
121.10110	3.0
123.04344	1.7
127.03862	12.6
131.08527	3.3
133.04926	46.8
133.10089	5.9
135.08044	1.9
143.08565	2.4
145.04913	19.1
145.10069	5.9
147.07979	2.9
147.11649	3.4
150.07568	2.5
157.10120	1.9
159.11655	2.5
161.13170	6.9
163.05968	6.9
189.12663	6.0
203.17908	6.9
204.18195	2.5
205.32971	1.4
220.77426	1.6
259.08109	2.1
277.09354	1.7
292.05200	1.5
295.09869	1.8
442.24521	2.5
442.34006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05487	1.4
57.03413	33.7
57.07051	1.6
59.04970	1.5
60.04502	0.9
61.02914	9.7
61.03179	0.9
61.05404	0.9
69.03403	51.8
71.01329	1.8
71.04949	0.9
71.08599	1.2
73.02882	40.8
75.04449	1.1
81.03391	5.7
81.07010	1.2
83.08585	6.2
85.02872	100.0
87.04430	20.7
91.03914	3.9
97.02847	49.3
98.95892	1.1
99.04436	2.6
101.44643	1.0
102.03420	1.0
104.57034	1.1
109.02862	6.1
115.03879	25.8
127.03867	15.0
133.04921	16.5
144.73064	1.2
145.04910	21.6
146.39992	1.0
150.07590	1.2
163.05965	9.6
170.15327	1.3
208.36601	1.2
293.19513	1.5
295.10364	1.2
442.24921	6.4
442.32376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67574	0.8
53.03924	1.9
54.85983	1.0
55.01859	10.1
55.05496	4.2
57.03422	23.7
57.07047	2.1
59.04975	1.7
60.04506	0.9
61.02905	19.5
69.03406	35.3
69.07035	2.1
71.01315	1.9
71.04968	1.3
73.02888	75.5
79.05438	1.3
81.03368	8.0
81.07024	4.4
83.04955	1.5
83.08584	9.1
84.08143	1.4
85.02879	100.0
85.06580	1.6
87.04448	6.7
89.05996	2.2
91.03925	4.1
91.05441	2.2
93.07006	2.2
95.08594	1.7
97.02856	51.1
97.10145	2.3
99.04412	3.9
101.02354	1.4
103.03917	2.5
105.07020	1.8
107.07074	1.8
107.08573	1.2
109.02832	7.9
114.35220	1.1
115.03905	16.5
127.03867	23.4
133.04929	17.8
133.10063	1.6
145.04913	27.7
145.05981	1.8
150.07579	1.1
157.51411	1.1
163.05965	10.9
223.05923	2.1
241.07018	2.4
245.21132	2.6
259.08118	4.2
277.09296	1.1
442.24011	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	442.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01851	2.1
57.03418	33.3
57.07046	1.7
59.04986	1.3
61.02900	14.2
61.52195	0.3
69.03403	34.7
70.06532	0.3
71.01331	3.2
71.04954	1.8
71.08582	1.3
73.02885	55.6
79.60676	0.3
81.03391	7.4
81.06987	0.4
83.08572	0.7
84.08117	1.6
85.02872	100.0
87.04434	3.8
91.03920	4.0
92.09296	0.4
93.06993	0.3
95.08627	0.5
97.02853	46.5
99.04411	5.4
101.02361	0.5
103.03891	2.1
109.02837	8.5
115.03889	17.0
127.03870	21.5
132.06526	0.5
133.04918	5.0
145.04912	30.1
150.07561	1.5
163.05951	14.2
164.62421	0.3
170.15341	0.4
223.05980	2.1
241.07008	3.2
259.07928	3.0
293.19482	3.6
295.10193	1.9
304.37573	0.4
441.24460	1.5
442.24673	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	442.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79045	0.2
53.03929	2.6
54.26566	0.3
54.81001	0.3
55.01855	3.2
55.05491	2.9
57.03421	5.9
58.67423	0.3
59.04982	0.6
61.02903	10.6
67.05475	0.3
69.03403	19.4
69.07039	0.4
70.69990	0.3
71.01341	0.4
71.04962	4.5
73.02887	3.7
81.03387	8.3
81.07024	0.7
83.01324	0.5
83.04976	0.4
83.08591	3.6
85.02877	100.0
87.04446	3.2
91.03919	4.7
91.05457	0.4
92.09394	0.4
93.07013	0.5
95.04900	0.3
95.08561	1.2
97.02858	25.2
97.53319	0.3
99.04424	4.5
99.08055	1.8
101.02351	0.6
101.09570	0.3
103.03886	0.4
105.07026	0.5
109.02852	9.6
111.08049	1.2
112.24269	0.3
113.09626	0.3
115.03898	2.6
123.08031	0.3
127.03870	20.0
129.09071	0.4
133.04974	0.4
139.07474	1.2
141.09058	0.7
145.04910	26.0
163.05949	10.2
191.10692	0.3
209.11758	1.2
227.12697	1.5
245.13843	1.5
263.11749	0.3
263.14896	2.0
277.09204	0.3
299.66312	0.4
304.49481	0.4
325.11212	0.5
459.90945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
53.56455	0.2
55.01854	2.7
55.05492	1.7
57.03419	5.5
59.04974	0.3
60.87341	0.2
61.02904	10.1
64.26215	0.2
65.58114	0.2
67.05461	0.3
69.03405	19.3
69.07061	0.4
71.01314	0.3
71.04958	3.8
73.02888	4.9
76.55248	0.2
80.31008	0.2
81.03387	7.3
81.07015	0.3
83.01302	0.9
83.04957	0.2
83.08597	1.8
85.02874	100.0
87.04443	2.7
91.03918	5.7
92.09296	0.3
93.07023	0.2
95.04951	0.3
95.08588	0.4
97.02856	24.4
97.06554	0.2
99.04420	4.5
101.02335	0.9
101.09613	0.3
103.03909	0.8
105.07003	0.3
109.02844	8.7
110.82594	0.2
111.08057	0.4
113.09605	0.3
115.03906	1.1
127.03866	20.6
129.09071	0.3
136.20178	0.2
139.07507	0.9
140.53865	0.2
145.04913	28.1
151.07504	0.4
163.05946	10.6
163.11118	0.2
167.06972	5.0
167.10631	0.3
197.11766	0.2
204.70656	0.2
209.11673	0.3
211.09666	0.3
227.12793	0.4
245.13779	1.0
263.14877	0.9
263.19479	0.2
271.08151	0.2
289.09045	0.3
325.11377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01841	1.3
56.96546	0.9
57.03418	15.5
59.04964	1.1
61.02901	6.1
67.05470	4.5
69.03031	1.2
69.03404	28.6
70.06554	1.1
71.01308	1.4
71.04965	54.4
72.31634	0.6
73.02496	1.1
73.02885	24.8
75.04447	0.7
81.03369	2.8
81.25885	0.7
85.02872	42.4
85.03384	1.5
85.06487	0.9
86.17644	0.6
87.04446	11.1
89.03869	1.0
91.03923	1.0
91.05442	1.6
93.06979	4.9
95.04931	33.8
95.05532	1.4
97.02856	34.7
98.97523	3.4
99.04395	2.9
103.05439	2.5
109.02807	3.0
113.05968	100.0
114.05503	0.9
115.03890	17.4
116.98583	1.1
117.03369	0.9
121.06458	98.0
127.03873	7.6
128.98462	0.8
131.06099	1.2
131.06993	20.0
133.04929	10.4
134.99579	0.9
135.04388	1.5
136.06192	0.6
137.02245	0.7
138.09102	15.8
139.03822	0.7
145.02776	0.8
145.04926	5.9
149.01295	0.7
149.52490	0.6
163.02675	1.1
163.03851	13.0
163.05954	2.6
219.01622	0.8
221.07985	0.8
237.02762	1.6
245.10120	1.3
257.09998	1.0
263.11298	0.7
275.11179	6.3
293.12256	4.3
295.10095	2.8
412.69571	0.7
447.71802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3717
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.69925	1.0
53.03917	1.7
55.05493	17.7
57.03400	1.2
57.07056	2.8
57.16186	1.1
60.45889	0.9
65.18349	1.1
65.42381	1.1
67.05479	50.5
69.03384	1.5
69.07044	24.9
71.11376	1.0
79.05454	27.7
81.07024	72.2
83.04950	2.0
83.08583	9.4
85.06501	1.9
91.05437	23.8
93.07005	59.9
95.04914	2.0
95.08566	73.5
97.06492	1.5
97.10130	6.6
99.08024	1.6
105.06284	2.5
105.06992	67.1
107.08555	91.4
109.06473	2.6
109.10116	100.0
112.15223	1.3
117.06973	13.6
119.08534	73.1
121.10098	48.0
123.08044	3.1
123.11665	18.0
125.09602	2.0
128.06172	1.6
129.06960	6.9
131.08522	36.0
133.10075	58.7
135.11644	56.8
136.60246	1.2
137.13199	6.5
139.29092	1.2
142.07721	2.4
143.08495	11.1
144.09383	1.6
145.10080	43.7
147.11647	47.2
149.05914	1.8
149.13211	21.3
151.11154	6.1
155.08487	1.9
157.10121	13.0
159.11621	36.6
161.13194	33.6
163.14774	18.7
165.12695	2.0
169.10028	2.8
171.11679	11.3
173.13173	26.7
175.14742	16.2
177.16315	7.3
179.14255	15.0
183.11647	2.8
185.13097	11.3
187.14729	22.4
189.16315	40.1
191.14299	5.1
191.17917	5.8
197.13188	5.6
199.14748	12.5
201.16298	21.1
203.14337	2.1
203.17833	10.8
205.15852	4.8
207.17389	36.3
211.14749	2.3
213.16318	7.6
215.17885	23.4
217.19516	1.5
219.13646	1.8
225.16307	1.8
227.17848	7.0
229.19377	2.3
239.17831	1.4
240.23476	1.3
243.20999	10.1
255.20985	3.1
267.21024	2.0
269.22552	8.6
281.22363	1.6
283.20111	1.4
283.24020	4.8
315.26932	1.3
341.28333	2.1
345.10800	1.5
405.35065	26.2
423.36325	19.3
429.67474	1.5
441.37476	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3715
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.24181	0.8
51.54562	1.0
55.05490	11.4
57.07059	4.7
60.19798	1.0
67.05482	39.4
68.27974	0.9
69.07043	17.0
79.05463	19.2
80.81465	1.1
81.07026	58.3
83.04967	1.2
83.08591	7.9
91.05444	20.0
93.07003	39.4
95.04942	4.2
95.08566	58.5
97.06488	1.4
99.08085	1.7
105.06998	46.3
107.08560	76.7
109.06496	1.9
109.10118	100.0
111.08015	1.9
111.11700	2.3
117.06955	11.0
119.08538	56.7
121.10107	41.5
121.10984	1.4
123.08022	4.3
123.11652	15.0
125.09614	1.7
128.06149	1.5
129.06969	2.5
131.08527	27.3
133.10083	42.7
135.08032	2.4
135.11644	40.7
137.09595	2.8
137.13205	5.0
143.08498	8.1
145.10077	36.5
147.11647	36.2
149.13185	18.2
151.11121	1.8
157.10081	11.5
158.10927	1.5
159.11624	32.5
161.13197	30.9
163.14752	16.0
163.72821	1.1
169.10056	1.8
171.11635	10.9
173.13197	19.1
175.14754	16.9
177.16347	8.0
179.14226	6.9
183.11604	2.4
185.13205	10.3
187.14798	17.6
189.16316	32.8
191.14259	1.4
191.17897	2.6
197.13152	1.8
199.14786	7.8
201.16306	20.1
203.17894	6.2
207.17378	24.6
211.06134	1.4
211.14795	2.6
213.16295	6.4
215.17844	17.8
217.19453	2.0
225.16228	2.4
227.17891	7.8
229.19495	4.5
231.20958	1.6
233.18996	1.2
238.33160	1.3
239.17865	1.3
241.19402	1.8
243.20969	7.3
244.62044	1.2
245.22702	1.3
253.19377	1.4
255.21045	1.7
269.22501	7.7
281.22394	1.3
283.24146	2.1
313.59399	1.2
323.27295	1.6
341.28152	1.5
349.28864	1.6
360.13339	1.5
376.30057	1.2
405.35159	26.2
423.36392	19.2
441.37604	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	441.3714
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03931	1.8
53.78573	1.0
55.05493	16.9
57.03413	2.5
57.07049	5.5
67.05476	29.1
69.07035	23.2
79.05460	18.9
81.07014	46.1
83.04952	1.5
83.08574	13.1
85.06499	3.1
91.05428	18.1
92.09299	2.8
93.06999	46.5
95.04938	1.5
95.08561	100.0
97.06495	5.2
97.10120	2.2
99.08064	5.4
105.06983	48.3
107.08552	79.6
109.06514	2.2
109.10111	58.1
111.08018	3.3
111.11682	1.7
117.06949	5.7
119.08528	76.2
121.06448	1.7
121.10093	59.1
123.08022	5.5
123.11646	18.6
125.09571	2.4
131.08536	23.4
133.10080	55.4
135.11635	47.0
137.09583	2.1
137.13179	6.1
143.08508	6.6
144.09303	2.1
145.10069	35.9
147.11635	39.2
149.05925	1.8
149.13217	19.3
151.11124	2.7
155.08502	2.1
157.10046	9.7
158.10939	2.2
159.11613	38.0
161.13185	30.8
163.14749	25.6
165.12640	1.6
171.11633	10.4
173.13177	25.7
175.14766	19.2
177.16307	8.6
179.14262	3.1
185.13176	9.9
187.14745	19.3
189.16312	34.9
191.14221	3.3
191.17845	22.9
193.15771	2.7
197.13235	2.6
199.14680	7.0
201.16298	12.8
203.17882	18.9
205.15765	7.2
205.19534	2.1
207.17334	24.9
211.14845	2.4
213.16368	2.4
215.17928	19.3
217.19447	2.4
219.13689	2.4
219.17354	2.9
219.86807	1.3
221.18951	2.9
225.16211	2.0
227.17845	2.0
229.19362	7.1
233.18964	11.8
239.18005	1.7
243.20950	8.6
247.20369	1.7
255.21001	4.9
261.22052	2.4
273.22043	3.2
275.23834	1.4
395.37003	1.5
405.34967	6.1
411.35867	3.3
423.36755	21.9
441.32529	9.4
441.37039	22.5
454.59589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3716
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
54.81189	0.8
55.05495	12.7
57.03410	1.3
57.07056	4.3
59.04977	1.6
65.52370	0.9
67.05482	24.8
69.07042	22.0
71.04979	1.3
71.08620	2.4
71.18544	0.8
72.47288	0.8
79.05461	18.6
79.31324	0.8
80.80712	0.8
81.06546	2.1
81.07022	54.9
83.08611	8.6
85.06509	9.1
86.94002	0.9
91.05431	15.8
93.07006	47.8
95.04938	1.9
95.08570	100.0
97.06526	2.3
97.10116	6.7
105.06995	45.4
107.08559	71.7
109.06516	3.7
109.10122	49.2
111.08076	5.6
111.11684	1.9
113.09610	1.1
114.36104	1.2
117.07001	3.9
119.08540	54.1
121.06528	1.2
121.10104	56.6
123.08038	2.1
123.11660	23.4
125.09605	2.4
130.07703	1.2
131.08514	15.7
133.10085	40.1
133.11043	1.6
135.11641	46.4
137.09601	1.6
137.13245	6.2
139.11108	1.7
143.08609	3.9
145.10080	27.4
147.11632	35.6
149.09662	1.8
149.13214	28.6
149.14323	1.1
151.11183	1.8
157.10075	6.8
159.11627	28.7
161.13199	31.5
163.11166	3.8
163.14746	22.1
165.12782	1.2
169.10112	1.3
171.11665	5.8
173.13182	19.4
175.14760	25.2
175.16154	1.7
177.12807	1.2
177.16321	14.4
183.11655	1.4
185.13281	4.5
187.14760	14.7
189.16293	18.2
191.14211	6.8
191.17870	37.7
193.16037	1.3
199.14839	2.4
201.16324	16.8
203.14330	2.1
203.17891	17.0
205.15897	6.5
205.19388	7.1
207.17477	6.2
213.16415	5.0
215.17874	16.7
215.19728	1.2
217.19551	6.1
219.17453	5.1
221.18965	1.4
227.17972	4.0
229.19518	6.1
231.17467	1.8
231.21039	2.2
233.18921	11.6
241.19475	3.3
243.20996	1.9
247.20448	1.5
257.22610	1.9
269.22577	1.1
271.24295	1.4
272.41150	1.0
335.44684	1.1
339.27332	1.1
366.62491	1.1
395.36841	3.6
405.35394	6.9
411.36362	4.0
423.36255	39.4
439.53973	1.1
441.37274	64.4
465.67447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3717
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.95490	0.8
55.05493	11.7
57.03415	2.0
57.07053	2.2
58.25120	0.8
59.04977	0.9
59.48194	0.8
60.47447	0.8
67.05488	14.4
68.29730	0.8
69.07046	28.9
71.04961	1.0
76.88223	1.1
77.86448	0.9
79.05462	10.6
81.07025	65.4
82.02779	0.8
82.95419	0.8
83.04945	1.0
83.08598	8.7
85.06539	1.0
91.05447	8.6
93.07010	22.1
95.04953	3.9
95.08566	34.0
95.09130	1.6
97.06495	2.2
99.08054	25.6
105.06996	17.2
107.08556	31.1
107.09216	1.5
109.06516	1.6
109.10123	31.8
111.08048	3.5
111.11690	1.1
113.09643	5.1
117.07001	3.5
119.08537	26.8
121.10098	24.9
123.08053	1.3
123.11661	15.1
127.11163	5.6
129.09135	1.7
131.08517	14.0
133.10088	24.5
135.08058	1.3
135.11644	20.0
137.13304	1.6
139.05022	1.1
139.11188	1.5
143.08531	7.7
145.10080	19.0
147.11633	16.4
147.12614	1.2
149.13188	8.1
155.08495	1.0
156.09291	1.2
157.10097	9.9
159.11636	20.9
161.13177	17.8
163.14818	6.4
165.12759	4.3
169.10083	1.8
170.11035	1.3
171.11591	8.1
173.13181	15.8
175.11218	1.0
175.14784	14.1
177.16380	1.4
185.13182	9.5
187.14766	12.7
189.16307	11.5
191.14241	0.9
191.17981	1.2
197.13280	2.0
199.14781	7.7
201.16316	8.9
203.17921	2.0
205.15913	1.9
207.17445	1.2
211.14810	1.0
213.16316	9.5
215.17885	9.2
227.17888	11.5
228.18735	1.3
229.19443	10.0
239.17964	1.9
241.19423	9.6
243.21082	5.7
254.20200	1.2
255.21075	3.9
257.22525	1.6
269.95862	1.0
281.09183	0.9
297.25659	30.9
297.28864	1.2
313.43073	1.0
315.26968	5.0
325.28973	3.5
349.28821	1.8
405.04114	1.0
423.31854	3.2
423.36395	4.6
441.37320	100.0
442.37430	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3719
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03915	2.2
54.49916	1.1
55.05268	1.5
55.05496	22.3
57.03408	1.7
57.07045	5.8
58.71110	1.5
59.04972	1.5
67.05482	28.4
69.03381	1.8
69.07039	38.8
71.04961	2.4
79.05457	22.1
81.07025	80.3
82.42733	1.6
83.08585	18.0
83.35518	1.7
83.76460	1.6
85.06507	1.9
88.24130	1.6
91.05450	23.0
93.07007	59.0
93.89925	1.7
95.04926	6.1
95.08571	97.2
97.06498	2.0
97.10121	3.6
105.06996	61.5
107.08558	100.0
109.06477	2.9
109.09397	3.0
109.10117	64.3
111.08026	7.3
111.11690	2.2
115.05353	1.7
117.06981	10.1
119.08541	82.1
121.10097	70.2
123.08009	3.6
123.11668	39.8
125.09556	2.3
129.06985	3.1
131.08522	30.3
133.10088	54.4
135.08023	2.2
135.10666	2.8
135.11650	55.0
137.09624	2.0
137.13197	18.0
139.11143	1.7
142.07791	1.7
143.08522	7.0
144.09305	3.0
145.10085	50.9
146.10922	1.8
147.11641	42.2
149.09529	1.5
149.13194	24.8
151.11143	2.8
151.14760	2.3
155.08467	2.6
157.10069	10.7
158.10938	1.8
159.10405	2.3
159.11641	48.5
161.13200	29.0
163.11110	2.5
163.14771	27.7
165.12747	1.9
167.14275	8.3
167.92361	1.7
169.10065	2.0
171.11603	10.1
172.12447	3.2
173.13200	30.0
175.14748	27.2
177.16327	17.2
179.14230	7.6
183.11615	2.2
185.13194	9.9
186.13989	6.1
187.14754	22.5
189.16301	42.5
191.17850	12.6
197.13237	2.3
199.14772	7.2
201.16307	30.2
203.17867	15.5
205.15741	2.2
207.17374	10.3
211.14717	3.3
213.16310	9.6
215.17873	55.3
217.19405	10.1
219.17313	9.1
225.16229	2.6
227.17894	7.0
229.19420	14.3
231.21027	3.7
233.18944	9.4
241.19502	2.5
243.20988	14.6
247.20453	3.2
252.11679	1.7
253.19452	2.2
255.21014	3.5
267.20963	3.1
269.22467	8.6
271.24057	2.2
281.22342	1.9
283.24112	3.5
287.23550	2.1
299.23605	1.9
395.36795	2.2
405.35199	17.6
411.35898	2.2
423.36322	50.8
441.37497	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3715
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05494	7.6
57.07056	5.3
62.95166	3.4
65.03968	3.8
66.85516	3.3
67.05486	24.8
69.07047	21.9
76.54852	4.7
79.05438	4.8
81.07022	47.6
83.08602	7.6
85.06538	3.7
91.05415	8.7
93.07008	43.9
94.30636	3.8
95.08572	100.0
97.06418	3.8
105.07018	37.4
107.08557	70.1
109.10130	59.8
119.08544	49.3
121.10104	63.9
123.11668	8.0
131.08495	5.9
133.10065	30.5
135.11647	51.6
137.13312	4.7
145.10115	23.4
147.11653	35.1
149.13211	22.0
159.11597	27.2
161.13176	34.8
162.28493	3.8
163.14795	21.7
173.13156	8.6
175.14761	24.7
177.16396	14.1
187.14789	7.8
189.16359	29.7
191.14207	4.1
191.17899	44.0
201.16333	16.8
203.17912	17.4
205.19453	4.9
214.44981	4.3
215.17990	14.2
219.17236	5.6
233.18912	9.1
274.43167	4.3
296.14465	4.1
331.41574	4.2
423.36057	62.3
441.37109	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3718
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.04739	0.7
55.05496	10.9
57.07058	7.0
64.32763	0.8
67.05487	19.7
68.10268	0.8
69.07045	17.3
69.86607	0.8
71.04938	1.1
71.08582	1.4
74.57545	0.8
79.05460	10.4
80.70457	0.8
81.07025	57.4
83.08596	8.6
85.06500	4.9
91.05441	12.0
93.07007	34.1
95.04956	1.0
95.08571	100.0
97.06503	1.8
97.10130	3.9
99.08042	2.1
105.06994	25.7
107.08559	41.8
109.02801	1.5
109.06457	1.8
109.09409	2.0
109.10128	41.9
111.08030	4.0
113.09558	1.3
117.06968	6.3
119.08538	42.0
121.10101	33.7
123.08031	1.8
123.11666	24.5
125.09568	2.1
129.06885	0.8
131.08505	11.5
133.10089	25.8
135.11639	25.5
137.13219	23.5
143.08493	4.2
145.10074	18.2
147.11646	23.0
149.13237	16.8
151.11127	1.7
151.14761	1.4
153.09132	1.1
157.10052	6.0
159.11630	18.4
161.13200	17.2
163.07396	1.3
163.11086	1.2
163.14780	12.8
166.30176	1.0
169.10124	1.2
171.11656	3.8
173.13205	15.7
175.11119	0.9
175.14778	17.3
177.16357	8.9
179.17896	3.7
183.11508	1.6
185.13165	4.4
187.14735	11.1
189.16331	12.5
191.14240	3.5
191.17868	16.1
195.17360	2.1
197.13248	1.7
199.14737	4.9
201.16345	9.5
203.17896	8.7
205.15791	1.9
205.19470	2.3
207.17325	2.2
208.32410	1.1
213.16237	2.1
215.17877	12.7
217.15843	1.7
217.19426	4.3
219.17349	3.6
225.16263	1.6
227.17854	4.7
229.19398	2.3
231.21111	1.2
233.18947	5.7
239.17935	1.4
243.17416	4.0
243.20970	3.4
245.18828	2.2
245.22395	1.4
255.21043	1.4
257.22470	1.2
267.20987	1.5
295.24399	1.3
299.27243	2.2
335.26724	1.0
377.31827	1.2
395.32233	1.8
395.36932	9.8
397.30704	2.2
405.34930	3.9
413.37558	3.5
423.31186	1.3
423.36438	23.0
441.37729	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	441.3354
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
54.81348	2.4
55.05489	10.7
57.07052	2.6
67.05483	15.6
69.07034	16.5
79.05442	9.3
81.07024	29.3
83.08582	4.5
87.21754	2.1
91.05441	11.6
93.06993	24.7
95.08570	33.6
99.08027	4.7
101.36107	2.0
105.06991	27.1
107.08547	33.5
109.06467	3.0
109.10112	25.0
111.08041	2.8
114.95921	2.5
117.06960	3.5
119.08527	41.6
121.10085	18.8
122.92398	2.2
123.08042	2.6
123.11658	5.2
129.06882	2.1
131.08539	23.1
133.10107	25.9
135.07994	3.1
135.11647	20.0
143.08521	9.8
145.10088	26.1
147.11629	20.1
149.09570	2.1
149.13234	4.4
157.10054	10.9
159.11624	21.2
161.13193	15.7
163.11075	2.8
163.14760	4.2
169.10057	3.5
170.10896	3.1
171.11639	10.6
173.13173	19.2
175.14783	4.5
177.12700	13.3
183.11688	2.9
185.13171	12.1
187.14764	11.5
189.12743	2.8
189.16298	18.1
191.14288	3.8
191.17798	2.7
195.11690	3.1
199.14752	2.7
201.12735	13.1
201.16348	4.7
203.14224	8.9
205.15750	2.5
207.17352	11.1
213.16338	3.9
215.14171	2.6
217.15987	2.9
219.13744	9.8
243.17462	2.9
271.20801	2.4
294.65289	2.6
380.48019	2.6
405.31180	4.0
408.30148	8.2
423.32300	31.2
441.33344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.05498	32.6
57.07065	5.1
66.56607	3.3
67.05468	25.6
69.03403	3.0
69.07041	45.6
71.04939	3.1
76.71914	2.4
77.44977	2.6
79.05463	33.8
81.07024	77.6
82.07359	3.4
83.04945	14.2
83.08596	32.4
89.05991	3.3
91.05449	34.6
93.07003	56.9
95.04943	3.3
95.08565	88.2
97.06464	5.3
97.10146	4.5
99.08057	5.3
105.06994	77.9
107.08553	100.0
109.06496	15.1
109.10112	41.5
111.08047	12.2
113.06011	5.3
115.07513	3.5
117.07015	6.4
119.08532	97.4
121.06457	4.2
121.10096	60.3
123.08015	5.6
123.11682	18.3
129.06967	4.7
129.09050	6.2
130.07767	3.2
131.08510	40.7
133.10088	74.7
135.08009	22.7
135.11649	38.4
137.09627	5.9
137.13257	3.1
139.11163	3.8
142.07703	4.7
143.08505	22.0
144.09282	4.6
145.10071	61.6
147.11647	44.6
149.09583	4.6
149.13245	16.4
151.11151	3.5
155.08461	4.2
157.10072	29.3
158.10802	4.3
159.07983	4.2
159.11646	43.1
161.09634	3.4
161.13213	30.4
163.11208	5.9
163.14766	18.1
165.09076	15.8
169.10098	6.6
171.11592	22.8
173.13174	34.0
175.11115	4.8
175.14751	23.8
177.12723	3.6
177.16354	4.4
183.11604	16.1
184.12375	3.5
185.13217	16.3
187.11079	4.4
187.14722	33.5
189.12683	5.9
189.16333	31.4
191.14261	14.0
191.17847	4.0
195.11823	3.3
197.13148	6.3
199.11087	5.0
199.14781	15.7
201.12735	7.4
201.16386	25.6
203.14273	19.3
205.15826	12.6
207.17352	5.8
211.14925	4.6
213.16391	5.2
215.14238	13.2
215.17880	7.3
217.15855	13.1
223.14671	3.8
227.17940	5.1
229.15733	4.2
229.19530	3.9
231.17285	3.1
239.17891	3.1
241.19411	3.4
255.17273	4.1
255.20976	4.0
267.17474	3.3
269.18860	3.9
271.20520	6.9
283.20480	5.4
293.22806	3.0
392.97443	3.6
405.31339	22.3
423.32184	61.6
441.33295	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	441.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41499	1.4
54.80716	2.0
55.05492	12.6
55.28477	1.3
57.07059	2.1
61.14129	1.5
66.06533	1.4
67.05478	14.0
69.07042	15.5
69.12605	1.5
79.05463	30.8
81.07021	36.4
83.08609	4.0
85.06505	2.9
91.05450	34.0
91.30581	1.6
92.68993	1.5
93.07003	79.7
95.04955	6.6
95.08564	42.3
97.06493	2.2
99.08058	28.0
105.06992	54.1
107.08555	100.0
109.06471	3.8
109.10113	32.6
111.08034	7.4
113.44912	1.8
115.05400	1.8
117.06996	16.0
119.08530	78.0
121.10091	40.8
123.07987	2.6
123.11710	14.5
128.06178	3.2
129.06949	12.0
130.07729	2.1
131.08525	44.1
133.10075	48.0
135.08046	2.4
135.11652	20.3
137.09543	2.8
142.07719	13.4
143.08524	36.2
144.09315	2.4
145.10080	45.3
147.11641	89.5
149.09540	3.0
149.13177	7.4
151.11195	6.2
155.08571	12.4
156.09285	4.1
157.10066	42.5
158.10851	3.8
159.11639	50.3
161.13191	22.8
163.11151	2.7
163.14746	6.2
165.12740	1.8
168.09300	2.8
169.10025	14.1
170.10832	6.9
171.11620	35.3
172.12450	7.7
173.13200	40.5
175.14789	12.3
177.16367	6.8
181.10138	3.4
183.11617	25.3
185.13153	26.3
187.14781	34.7
189.16296	5.8
195.11655	3.8
197.13144	15.1
199.14767	46.5
201.12988	1.8
201.16307	14.1
205.15784	14.7
209.13214	3.5
211.14813	10.0
213.16327	27.4
215.17931	7.7
223.14772	3.3
223.16882	4.1
225.16362	2.8
227.17918	3.4
231.17465	3.0
237.16425	2.0
239.17819	8.9
251.17671	2.3
253.19366	11.7
265.19473	2.9
267.21008	2.5
269.19131	1.7
271.20465	6.3
275.19907	2.8
279.40704	1.9
283.20428	14.5
285.21930	1.9
301.21524	25.8
332.29282	1.8
333.25742	2.4
351.26633	9.0
369.27737	43.7
405.31326	20.5
423.32431	38.1
441.33481	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.4
57.07058	7.5
67.05488	17.4
69.07037	26.0
69.30022	1.6
79.05466	15.3
79.99893	1.4
81.07025	39.6
83.04977	1.7
83.08576	13.7
85.06541	1.9
91.05446	19.4
92.09377	3.4
93.07005	34.4
93.70785	1.6
95.08569	73.8
95.28606	1.7
97.06535	2.0
97.10118	2.2
105.06995	55.1
107.08552	49.5
109.06475	3.3
109.10120	31.9
117.06992	12.2
119.08543	60.2
121.10096	32.8
123.08023	2.1
123.11652	16.4
129.06989	2.7
130.07724	2.2
131.08531	40.8
133.06390	2.1
133.10085	30.2
135.11667	15.9
137.13226	2.4
143.08492	12.9
145.10083	100.0
147.11624	24.5
149.13177	12.5
151.07451	2.5
157.10077	19.8
158.10826	2.7
159.11623	47.8
161.09566	2.7
161.13226	12.9
163.11096	3.2
163.14799	8.2
165.09109	4.2
169.08545	2.5
169.10028	1.7
169.98535	1.8
170.10947	2.4
171.11670	9.9
172.12341	2.4
173.13185	33.9
175.14813	16.4
177.16307	6.5
179.10568	1.7
185.13188	17.0
187.14757	78.1
189.16313	18.9
191.17941	2.0
199.14757	11.5
201.16321	48.5
203.17859	8.6
211.14810	3.0
213.16315	7.6
215.17905	2.9
227.17906	8.3
229.19414	3.6
239.16428	9.5
241.19357	2.1
251.16422	2.9
253.17654	2.3
269.22586	2.9
306.50766	1.9
375.54898	1.9
389.29449	1.9
395.32999	3.0
417.54041	1.8
441.33490	50.1
446.06061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16390	1.8
55.05492	14.7
55.74511	2.0
64.33109	2.5
67.05482	37.1
69.07045	28.0
79.05470	18.4
81.03373	9.0
81.07029	51.5
83.04944	3.3
83.08591	9.2
85.06508	2.9
91.05450	23.9
93.07009	44.0
94.97753	2.1
95.04933	4.6
95.08572	72.9
96.40997	2.1
96.67023	2.0
97.06503	4.3
97.10178	3.4
99.08044	8.4
105.06995	42.8
107.08556	72.8
109.06541	4.2
109.10118	100.0
111.08058	3.0
113.54843	2.0
117.06952	10.3
119.08537	86.0
121.06491	3.1
121.10097	39.6
123.08028	27.0
123.11674	7.8
129.06955	5.1
131.08507	29.2
133.06430	2.1
133.10089	52.3
135.07999	9.5
135.11664	26.2
137.09569	3.2
143.08493	15.4
145.10085	38.0
147.07993	4.9
147.11642	29.0
149.09569	4.6
149.13239	20.7
151.11192	4.0
157.10034	15.5
159.11626	30.9
161.09604	2.6
161.13214	17.1
163.11128	4.3
163.14764	53.2
169.10062	4.9
171.11620	10.8
173.13165	21.5
175.14764	63.7
175.16193	3.4
177.12697	8.2
177.16321	11.0
183.11682	4.0
185.13210	12.7
187.14749	22.7
189.12614	3.7
189.16325	50.2
191.14207	3.5
191.17902	11.8
197.13046	2.9
199.14865	9.0
201.16380	14.3
203.14281	3.8
203.17921	8.9
205.15813	3.9
207.17433	12.5
213.16325	9.2
215.14246	4.2
215.18004	15.5
217.15866	8.5
219.13759	3.6
223.14742	2.3
225.16362	3.7
227.17949	3.6
229.15771	3.3
229.19383	2.6
239.17944	2.3
243.20995	2.4
253.19618	2.5
269.19009	2.3
269.22510	2.6
397.30807	8.8
405.31024	4.6
423.32135	18.8
441.33179	24.5
441.37909	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	441.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92843	2.3
55.05490	13.8
57.25504	2.4
67.05473	24.7
67.36182	2.5
69.03384	4.3
69.07041	21.5
69.13970	2.4
79.05453	34.6
81.07031	58.9
83.08594	12.6
90.48309	2.6
91.05453	37.4
93.07009	75.4
95.08573	76.2
97.06479	3.9
97.10106	4.5
99.08043	15.0
99.15904	2.9
105.07001	79.3
107.08560	100.0
109.06519	6.4
109.10123	43.9
111.08022	4.0
112.03809	2.9
117.06980	13.6
119.08542	85.0
121.06430	5.4
121.10105	63.0
123.08064	4.4
123.11640	16.4
129.06973	11.5
131.08510	42.6
133.10083	74.7
135.07980	12.6
135.11668	28.5
143.08505	21.6
145.10072	47.1
147.07997	13.0
147.11642	70.0
149.09515	3.5
149.13193	17.1
155.08456	6.7
157.10095	29.5
159.07953	4.1
159.11606	38.0
160.81602	3.3
161.09592	11.3
161.13203	68.6
163.11182	4.0
163.14699	21.4
169.10098	5.8
171.11649	20.8
172.12416	3.6
173.13242	36.5
175.11145	5.0
175.14766	19.8
177.12704	4.3
177.16351	11.0
183.11626	13.6
185.13191	13.9
187.14767	33.5
189.12756	27.7
189.16324	15.7
191.14226	10.2
191.17900	14.3
197.13202	12.5
199.14735	21.5
201.12714	5.0
201.16336	11.8
203.17863	50.3
205.15668	10.6
207.13708	21.6
211.14764	3.1
213.16357	15.1
215.14246	4.2
215.17876	12.3
217.15857	4.9
219.13737	4.5
227.17953	4.5
237.14732	10.6
253.19319	4.3
283.20517	5.2
301.21466	6.5
306.99063	3.2
351.26779	3.1
369.27661	17.2
393.31390	4.0
405.31409	4.8
411.32138	3.6
423.31702	24.1
441.33527	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3355
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.81077	1.4
55.05495	11.9
57.07060	2.5
59.04959	2.6
67.05474	14.2
69.07036	11.2
69.83475	1.5
77.97055	1.5
79.05453	24.9
81.07026	27.9
83.04944	3.8
83.08592	3.4
91.05447	31.1
93.07011	49.0
95.04915	2.8
95.08584	34.2
97.06537	1.7
99.08080	14.5
105.06998	52.4
107.08562	100.0
109.06451	2.0
109.10126	24.9
117.06998	8.3
119.08543	97.8
121.10107	37.5
123.08050	3.0
123.11670	7.9
127.07581	1.8
129.06963	3.5
130.07848	1.7
131.08522	33.9
133.10086	55.5
135.08028	9.8
135.11653	25.6
137.09593	3.1
137.13264	2.2
143.08511	11.6
144.09372	1.7
145.10088	48.1
147.11647	43.4
149.09579	2.0
149.13220	8.9
151.07512	3.2
155.08507	2.8
157.10033	14.0
158.10826	2.7
159.08086	1.6
159.11646	25.9
161.09648	2.5
161.13216	21.0
163.11093	3.4
163.14767	9.2
169.10075	2.2
171.11641	8.7
172.12392	2.3
173.13200	21.8
175.11057	1.9
175.14748	21.0
177.16351	12.6
179.14264	5.5
183.11679	2.9
185.13214	8.0
187.14767	29.8
189.16316	14.6
191.14259	2.9
197.13208	2.3
199.14832	6.9
201.12671	2.5
201.16333	31.6
203.14246	2.6
203.17990	2.3
205.15833	6.6
211.14711	2.9
213.16425	1.8
215.17947	3.5
217.15842	6.2
219.17375	3.5
227.17955	2.2
229.15753	2.9
247.16948	1.9
369.27878	2.2
373.36835	1.6
387.30219	1.8
405.31335	13.1
423.32385	40.9
438.40063	2.0
441.33478	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	12.6
57.07047	3.6
58.62309	1.4
67.05486	13.6
69.07053	15.3
70.35349	1.7
77.03895	1.6
79.05458	29.2
79.70185	1.5
81.07027	32.8
83.08585	8.0
85.06498	1.8
91.05435	29.8
93.07009	60.5
95.08575	35.8
95.61353	1.7
97.06497	3.0
97.96127	1.6
99.08054	23.0
105.06987	49.1
106.79029	1.7
107.08561	100.0
109.06497	3.7
109.10123	44.6
111.08041	3.5
117.06966	13.3
119.08535	66.8
121.10090	35.3
123.08058	2.7
123.11683	15.4
128.06197	2.0
129.06975	10.8
130.07715	1.8
131.08524	44.2
133.10080	61.3
135.07997	2.7
135.11642	16.1
137.09549	2.3
137.13185	3.1
141.06947	3.0
142.07739	9.0
143.08537	30.0
145.10071	65.5
145.15451	1.8
147.11638	69.2
148.87637	1.8
149.13197	8.5
151.11169	3.7
155.08488	9.9
156.09306	8.4
157.10078	36.9
158.10858	2.8
159.11633	48.4
161.13174	20.6
163.11136	4.4
163.14803	3.0
165.12686	2.4
168.09305	2.4
169.10046	9.4
170.10849	7.1
171.11613	32.7
171.13052	2.3
172.12434	3.2
173.13197	36.1
175.14766	15.0
177.12740	3.1
177.16333	6.9
179.14284	2.5
181.10078	3.8
183.11662	20.0
185.13181	25.3
187.14737	26.7
189.16344	9.4
195.11653	2.8
196.12453	3.0
197.13152	17.0
199.14780	40.0
201.12714	2.4
201.16302	17.7
205.15836	23.6
207.11659	3.1
209.13211	3.1
211.14764	8.6
213.16324	12.7
215.14275	3.6
215.17931	3.9
217.15987	2.0
223.14664	8.1
223.16949	13.8
225.16374	2.5
227.17905	3.8
251.17955	2.4
253.19577	6.9
265.19394	4.1
269.18939	2.3
271.20648	3.3
283.20456	16.6
301.21469	16.8
351.26709	6.8
369.27762	19.1
387.30093	3.4
405.31442	16.9
421.90140	2.2
423.32370	34.2
441.24207	9.0
441.33432	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	17.8
57.03383	2.9
57.07037	2.8
67.05485	25.5
67.15112	2.5
69.07052	23.8
77.34625	2.8
79.05466	30.6
80.81206	2.8
81.07035	45.9
83.04956	5.0
83.08577	13.0
85.06513	3.9
91.05462	34.2
93.07011	58.0
95.04910	3.8
95.08575	54.7
99.08046	20.6
100.93562	2.6
102.45303	2.9
105.06995	64.1
107.08567	100.0
109.06482	4.8
109.10127	46.3
111.08055	4.3
117.06982	13.3
119.08549	85.1
121.10106	53.1
123.11661	11.6
125.52775	2.6
129.06979	7.0
131.08528	39.1
133.10085	67.2
135.11656	28.3
137.09544	3.5
137.13220	3.2
142.07750	3.6
143.08516	28.6
145.10071	59.4
147.11641	69.3
149.13225	13.9
156.09326	5.9
157.10069	38.4
158.10909	4.1
159.11658	47.3
161.13184	32.4
163.14783	12.3
169.10114	7.0
170.10817	5.0
171.11623	31.3
172.12422	4.0
173.13208	36.7
175.14745	16.3
177.16319	5.1
183.11636	21.7
185.13246	25.2
187.14757	30.9
189.12701	6.6
189.16319	15.5
197.13245	13.3
199.14729	44.3
201.16328	16.5
203.17859	4.9
205.15849	24.5
209.13113	4.2
211.14894	5.2
213.16309	7.1
215.14362	4.4
215.17906	11.8
217.15868	5.7
223.16829	6.8
239.17975	5.0
253.19336	5.7
271.20377	6.4
283.20416	15.1
301.21497	6.7
331.99283	3.2
333.25705	4.5
335.22937	2.9
369.27719	14.6
405.31351	14.8
423.32132	34.1
441.33371	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54535	1.1
59.07046	0.9
70.06570	1.3
81.07032	2.0
85.02897	1.9
91.05403	1.9
91.75567	1.1
93.07004	4.4
95.08566	1.4
107.08584	1.7
109.10138	1.4
122.18960	1.2
145.02798	8.1
167.06920	2.1
177.05370	9.1
193.11928	1.8
355.17206	7.8
397.18216	21.3
423.16025	6.1
441.17111	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3354
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05489	7.8
57.07052	3.7
59.04987	1.7
67.05466	11.2
69.07034	9.3
71.04967	2.5
79.05451	11.0
81.07014	27.0
83.08620	2.6
84.33604	1.8
91.05427	9.0
93.06997	21.9
94.45989	1.8
95.04947	2.5
95.08559	30.3
97.06487	4.2
97.16233	1.6
99.08083	2.2
105.06987	27.7
107.08558	39.4
109.06499	3.9
109.10100	17.6
111.08027	2.4
114.31171	1.7
117.06947	3.1
119.08530	39.6
121.10103	18.0
123.08017	2.5
123.11642	8.2
125.05944	11.0
125.09579	2.4
131.08504	14.7
133.10088	37.0
135.08035	2.2
135.11650	39.9
137.09570	3.9
137.13211	2.1
143.08508	2.8
145.10068	15.1
147.07945	4.2
147.11659	22.2
148.14180	1.9
149.09563	2.3
149.13217	11.7
151.11137	3.2
153.09070	3.0
157.10057	7.5
159.08009	3.9
159.11649	11.4
161.09541	17.6
161.13196	8.6
163.14764	10.7
169.10057	2.7
171.11729	5.6
173.09560	4.1
173.13205	23.2
175.11125	2.1
175.14763	9.6
183.11586	3.7
185.13191	2.5
187.14790	7.1
189.16316	48.6
191.14212	4.0
191.17850	2.3
193.15880	1.9
197.13110	4.4
199.14839	2.4
201.12671	27.9
201.16315	2.1
207.17355	56.5
213.16319	2.4
215.14240	70.6
215.17812	2.0
217.15884	9.0
219.13741	28.9
229.15820	3.6
229.19519	2.8
233.15349	24.7
281.80573	1.9
322.62268	1.8
405.31418	3.9
423.32159	22.4
441.33453	100.0
455.18732	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74220	0.9
55.05487	4.5
57.06784	1.8
57.07057	43.2
59.04964	1.2
59.78647	0.8
64.08565	0.9
67.05479	2.6
69.07037	6.3
71.08602	29.7
73.06515	4.3
79.05444	4.0
80.26210	1.0
81.07028	6.8
83.08585	6.6
85.06525	1.2
85.10156	28.7
87.04440	1.6
89.05994	100.0
91.05449	5.1
93.07015	7.0
95.08563	7.1
99.08027	1.4
99.11671	1.8
99.49633	1.1
105.06995	7.2
106.07337	1.6
107.07056	5.0
107.08550	11.5
108.08875	3.8
109.10152	4.6
117.06962	1.4
117.09059	1.7
119.04868	0.9
119.08511	8.8
120.08871	1.9
121.10105	4.1
122.79115	1.2
131.08517	6.1
132.08852	0.9
133.08549	22.0
133.10109	6.2
134.10370	1.5
135.11620	2.0
143.08479	1.6
145.10083	4.0
146.10463	1.3
147.11639	4.7
149.96826	1.2
156.13609	1.1
159.11664	1.8
160.11948	1.3
161.13150	1.9
162.13504	1.3
173.13147	1.9
177.11150	10.2
185.13121	1.6
185.18918	1.4
187.14822	2.6
188.15089	1.5
229.21608	7.8
239.14798	1.4
246.82628	1.0
252.17905	1.1
273.24182	4.2
283.17386	9.3
291.90558	1.1
315.44659	1.1
352.23267	1.1
356.37961	1.2
396.29657	1.9
398.89658	1.0
422.31131	2.3
423.32980	33.3
440.31708	2.3
440.37140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1718
Annotation	Neomarchantin B
Peak:m/z	Relative Intensity
50.18478	0.5
62.78845	0.5
69.01978	0.5
70.91639	0.5
81.07014	0.9
92.12873	0.6
100.50841	0.6
102.38323	0.6
107.08606	0.6
123.09236	0.6
190.83162	0.7
193.11967	2.9
203.05331	1.0
245.06239	3.5
289.05124	5.7
355.17130	14.7
368.56534	0.7
397.18185	40.7
441.17154	100.0
442.17474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
69.07041	0.4
69.11985	0.4
81.07029	0.7
83.01077	0.8
85.02882	1.8
91.05450	1.2
92.63290	0.5
93.07011	0.5
95.01050	3.1
97.02848	0.8
97.06480	0.7
109.06491	0.9
113.02089	2.3
113.09616	0.6
119.04892	2.1
122.06033	1.9
126.13258	0.5
127.03880	0.5
136.07550	3.0
137.05962	0.7
145.15082	0.5
147.04414	2.8
147.23473	0.5
150.05478	0.8
152.83545	0.5
155.68414	0.5
157.04759	0.7
163.03874	0.8
167.03078	0.7
185.04120	4.5
189.05165	0.5
201.03697	1.9
203.05202	0.5
204.07484	3.5
271.04752	0.9
279.11972	1.0
305.14713	0.7
441.17160	100.0
442.17334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10861	1.0
53.03926	11.7
55.01857	2.0
55.05486	7.3
56.91834	1.4
56.96539	1.8
57.03422	2.2
57.07055	18.3
59.04974	2.2
61.02904	2.1
62.33798	1.2
64.99778	1.0
67.05479	26.7
69.03397	11.2
69.07041	12.2
71.04964	1.7
73.02915	1.2
75.92411	1.2
79.05466	13.3
81.03383	60.1
81.07022	48.4
83.04956	13.2
83.08584	14.5
85.02875	20.4
85.06506	54.3
87.04391	1.8
87.96856	1.2
88.97224	1.3
91.05443	11.3
93.06996	25.4
95.04922	48.4
95.08564	44.3
97.02858	7.0
97.06490	10.0
99.79434	1.4
104.90781	1.2
105.06987	58.1
107.04945	1.4
107.08564	23.9
109.02825	1.5
109.06471	9.4
109.10114	7.1
111.08058	5.2
113.05959	36.2
113.09661	1.2
115.03894	2.2
117.06961	2.8
119.04935	1.3
119.08537	45.9
121.06469	2.9
121.10095	30.6
123.08027	13.3
123.11684	3.1
125.05941	2.4
125.09589	6.4
127.03863	2.1
131.07008	2.0
131.08519	17.5
132.43336	1.2
133.06448	2.4
133.10048	10.4
135.04398	5.8
135.07983	9.5
135.11636	6.4
139.07533	1.5
139.11137	12.1
141.09038	1.3
143.08537	2.2
145.02832	1.8
145.04938	3.2
145.10039	3.1
147.04413	2.2
147.11630	21.8
149.09578	14.3
151.07486	10.0
151.11189	1.6
156.09256	2.1
159.11623	6.0
161.13203	23.4
163.03804	9.3
163.06007	1.6
165.12682	36.9
169.08528	7.9
171.11633	5.1
177.12695	5.3
179.14276	6.2
189.12692	13.5
195.13805	1.8
197.15211	2.9
207.13724	100.0
214.82027	1.4
225.14784	27.2
243.15758	19.1
457.35556	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74220	0.9
55.05487	4.5
57.06784	1.8
57.07057	43.2
59.04964	1.2
59.78647	0.8
64.08565	0.9
67.05479	2.6
69.07037	6.3
71.08602	29.7
73.06515	4.3
79.05444	4.0
80.26210	1.0
81.07028	6.8
83.08585	6.6
85.06525	1.2
85.10156	28.7
87.04440	1.6
89.05994	100.0
91.05449	5.1
93.07015	7.0
95.08563	7.1
99.08027	1.4
99.11671	1.8
99.49633	1.1
105.06995	7.2
106.07337	1.6
107.07056	5.0
107.08550	11.5
108.08875	3.8
109.10152	4.6
117.06962	1.4
117.09059	1.7
119.04868	0.9
119.08511	8.8
120.08871	1.9
121.10105	4.1
122.79115	1.2
131.08517	6.1
132.08852	0.9
133.08549	22.0
133.10109	6.2
134.10370	1.5
135.11620	2.0
143.08479	1.6
145.10083	4.0
146.10463	1.3
147.11639	4.7
149.96826	1.2
156.13609	1.1
159.11664	1.8
160.11948	1.3
161.13150	1.9
162.13504	1.3
173.13147	1.9
177.11150	10.2
185.13121	1.6
185.18918	1.4
187.14822	2.6
188.15089	1.5
229.21608	7.8
239.14798	1.4
246.82628	1.0
252.17905	1.1
273.24182	4.2
283.17386	9.3
291.90558	1.1
315.44659	1.1
352.23267	1.1
356.37961	1.2
396.29657	1.9
398.89658	1.0
422.31131	2.3
423.32980	33.3
440.31708	2.3
440.37140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.01853	0.4
55.05491	0.4
69.03397	0.3
69.07028	0.3
72.98221	0.3
78.04684	2.4
79.05459	3.2
79.48313	0.3
81.07010	1.7
85.02850	0.4
88.59805	0.3
91.05426	1.9
93.06995	0.5
95.04926	1.2
95.08562	0.5
95.10724	0.3
97.02844	0.5
97.06457	0.4
103.05421	3.8
105.06989	5.5
106.04115	1.6
107.04912	6.1
109.06453	0.3
115.05428	2.0
117.06977	1.1
119.08511	0.4
121.06462	1.6
122.03606	1.1
123.04379	7.2
123.07983	0.4
124.05161	3.6
125.05960	0.3
129.06946	1.2
131.04880	7.0
131.08510	0.5
132.05647	0.4
133.06435	6.6
134.03645	0.5
135.04362	0.7
135.08031	0.7
137.05933	2.8
137.13240	0.3
141.06953	1.2
144.05717	0.9
145.06403	2.4
145.10086	0.4
147.04358	1.2
147.08008	0.4
149.05963	0.3
151.03821	0.5
151.07478	2.5
152.04602	2.4
158.07202	0.7
159.07997	0.7
161.05917	5.4
163.07480	7.9
165.08989	0.4
166.06241	0.4
167.06973	100.0
168.04063	0.4
169.06451	0.3
173.05910	1.2
173.09563	1.2
175.07489	1.4
177.09082	1.5
179.06979	1.7
181.08513	3.1
187.07547	2.3
189.09044	0.4
192.07722	0.7
193.08514	9.1
195.10182	0.4
201.09003	1.5
204.07834	0.4
205.08572	1.3
207.10121	1.1
219.10115	1.5
231.07892	0.7
233.11600	2.1
237.11130	1.3
248.08090	0.4
263.10693	0.5
291.09799	0.6
323.12677	1.2
354.20605	0.3
355.15237	5.9
387.17877	4.3
405.18921	6.8
432.30704	0.3
440.24048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58674	2.7
55.05495	29.1
57.07041	13.4
62.67953	3.8
63.47558	3.1
67.05484	28.8
69.07044	60.2
75.03495	3.4
79.05443	30.3
81.07011	62.9
83.08592	22.1
91.05435	40.6
93.06998	90.6
94.03450	3.5
95.04909	5.0
95.08566	98.0
97.10165	3.7
105.06999	56.5
107.08546	100.0
109.06451	3.5
109.10110	49.8
111.11671	4.0
117.06998	6.1
119.08545	71.4
121.10088	70.2
123.08034	3.8
123.11665	16.0
131.08511	17.8
133.10083	57.4
135.11633	58.6
137.13232	5.8
143.08528	7.4
145.10063	23.9
147.11615	36.4
149.13188	23.9
151.11273	4.0
155.08510	6.6
157.10071	16.4
159.11656	31.8
161.13200	21.0
163.14780	18.1
171.11572	16.8
173.13232	8.1
175.14792	17.4
177.16339	4.8
179.10527	5.0
182.94691	3.4
185.13148	5.8
187.14757	17.2
189.16299	22.0
190.22656	3.7
191.08722	3.5
191.17920	32.6
197.13199	5.8
199.14748	5.6
201.16339	16.4
203.17833	29.3
211.14635	5.6
213.16353	7.1
215.17830	7.3
291.22998	4.0
393.34781	15.8
421.34375	15.6
439.35968	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	440.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16861	1.1
55.01849	3.4
55.05492	23.8
57.03407	6.9
60.90141	1.2
61.02900	2.1
64.32190	1.9
67.05481	20.8
69.03397	18.2
69.07052	10.5
71.04971	19.9
74.09698	1.9
79.05457	23.7
81.03376	7.3
81.07014	18.2
83.04943	9.7
83.08613	1.5
85.02871	32.4
85.06524	3.0
87.00786	13.9
87.04429	2.4
91.05444	12.5
93.07008	31.4
94.26878	1.5
95.04931	6.2
95.08572	16.1
97.02878	10.9
97.06504	12.9
99.04404	2.9
102.01300	1.3
105.01809	12.7
105.06998	39.9
107.08569	16.0
109.02815	6.7
109.06470	7.4
109.10123	58.2
109.10882	2.5
111.04366	2.4
111.08040	7.4
115.03883	6.8
117.06998	1.9
119.08535	100.0
121.06424	2.2
121.10098	23.5
123.08021	5.6
127.03881	14.8
129.09047	2.8
133.06456	3.1
133.10085	58.7
135.08057	1.9
137.05870	2.2
137.09563	33.6
139.11115	16.8
145.04906	5.5
147.08003	11.4
147.11674	1.6
149.09573	3.0
151.07503	20.8
151.11159	2.9
155.10629	7.9
157.12227	6.0
160.85915	1.5
161.09528	22.7
163.11089	9.9
165.09039	37.2
169.08504	1.8
179.10599	32.8
183.10085	14.2
189.09021	11.4
197.11658	28.4
207.10066	10.1
208.02798	2.0
225.11150	33.7
225.14758	7.5
231.04951	2.2
243.12186	37.0
249.05946	1.8
261.13327	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18707	2.1
54.59002	1.8
55.05484	12.9
57.07060	17.6
57.27891	2.0
65.61945	2.2
67.05479	26.5
68.37803	2.4
69.07040	32.5
71.08598	5.6
79.05458	12.1
80.97539	2.1
81.07021	75.5
83.08587	5.4
89.06001	11.9
91.05449	12.8
93.06983	25.8
95.08571	100.0
105.07002	20.1
107.08562	24.2
109.10116	37.8
117.06988	4.1
119.08531	18.4
121.10081	19.4
123.08049	3.2
123.11642	27.8
131.08517	14.0
133.08583	4.2
133.10085	14.1
135.11667	10.3
137.09576	2.9
137.13184	35.3
143.08513	5.5
145.10046	17.9
147.11673	5.8
149.13237	4.7
157.10098	3.4
159.11601	5.6
161.13203	3.0
165.09061	26.1
171.11664	9.4
173.13206	5.3
179.17883	3.3
187.14789	3.9
201.16309	5.2
203.17876	2.7
203.22562	2.5
211.70215	2.5
213.16400	4.6
215.17862	5.8
239.14828	3.6
241.19391	3.0
259.16858	5.0
393.35196	3.2
436.41241	2.9
439.30826	4.1
439.35797	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	439.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.5
55.05495	23.7
57.07048	7.1
60.07461	1.4
64.80333	1.4
67.05484	29.5
69.07043	56.1
71.08582	2.6
79.05464	24.7
81.07023	57.9
83.08582	13.4
86.42886	1.5
89.05973	2.3
91.05441	35.4
92.08614	3.9
93.07008	70.5
95.04948	3.3
95.08570	89.3
97.10120	8.3
105.06991	67.4
107.08560	100.0
109.06477	3.1
109.10119	51.1
109.10853	1.8
117.06975	6.3
119.08533	66.9
121.10093	80.3
123.08054	1.8
123.11660	19.2
128.06148	2.7
128.91267	1.7
129.06949	4.2
131.08519	23.4
132.46619	1.8
133.06479	2.0
133.10081	58.5
135.11636	62.7
137.05951	2.0
137.09520	1.8
137.13185	3.6
143.08488	9.9
143.12408	1.8
145.10074	29.9
147.07980	2.6
147.11626	35.9
149.13210	24.0
155.08417	2.3
157.10060	10.1
158.10753	2.3
159.11652	22.7
161.09569	3.8
161.13193	25.7
163.14755	16.2
169.10005	3.6
171.11607	12.9
173.13203	12.9
175.11133	2.5
175.14780	23.2
177.16277	7.5
179.10629	3.8
181.51967	1.6
183.11601	3.3
185.13159	8.5
187.11385	1.8
187.14764	11.1
189.12695	2.4
189.16306	22.3
191.17863	34.6
197.13171	6.3
199.14804	12.3
201.16302	23.0
203.14619	1.6
203.17883	40.3
209.13202	2.2
211.14798	3.2
213.16348	6.9
215.17805	3.1
217.15875	3.2
217.19365	4.0
225.16150	2.3
227.17831	2.3
229.19394	2.4
243.30524	2.1
247.16762	2.2
249.18462	2.7
283.24200	3.4
393.35040	14.9
393.57327	1.9
410.55392	1.8
421.30310	15.1
439.31082	16.1
439.35425	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	439.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.6
57.07054	8.1
57.45747	1.7
60.44622	2.4
65.70686	1.7
67.05483	19.2
69.07044	31.0
71.08591	1.7
79.05457	13.7
81.07022	49.7
81.67773	2.5
83.08577	13.4
89.05983	4.9
91.05447	16.9
93.06418	3.4
93.06998	49.9
95.08568	97.6
97.10127	10.0
105.06995	35.7
107.08559	89.3
109.10122	60.7
119.08538	71.5
121.10097	68.8
123.11679	21.7
131.08514	11.3
133.08577	2.3
133.10085	61.8
134.17638	1.9
135.11641	40.1
137.13228	8.8
145.10081	14.1
147.11638	48.5
149.13211	35.3
150.80402	1.9
153.09039	8.4
159.11668	10.0
161.13187	21.9
163.14699	19.8
167.10637	2.6
173.13216	8.3
175.14769	16.8
177.16345	3.7
187.14763	4.4
189.06012	2.7
189.16309	74.2
191.17873	67.7
201.16336	20.2
203.17889	100.0
205.19398	22.0
215.17880	13.4
217.19466	10.5
221.18933	3.4
229.19432	3.8
231.20921	3.8
235.16904	2.7
246.57910	2.0
247.16783	8.5
249.18456	17.0
261.18445	4.7
393.35074	8.7
439.35544	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	439.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06702	2.6
54.80756	2.0
55.05479	14.4
55.36985	2.7
57.07037	2.4
66.53890	2.1
67.05476	20.7
69.07038	14.8
69.11472	2.6
78.06197	2.4
79.05458	29.1
81.07026	29.4
83.04938	3.0
85.06508	2.8
91.05447	29.3
93.07003	66.3
95.04932	5.8
95.08563	47.5
99.08059	15.5
105.06996	46.5
107.08559	100.0
109.10127	29.6
111.07956	3.5
114.54317	3.2
117.06955	14.0
119.08538	78.5
121.06499	2.9
121.10081	33.1
123.08031	5.6
123.11652	5.4
124.97988	2.7
128.06192	3.4
129.06920	14.8
131.08540	36.3
133.10088	48.0
135.08014	5.3
135.11632	19.6
141.06923	3.4
142.07732	6.6
143.08513	26.2
144.09181	3.5
145.10069	48.6
147.11652	72.2
149.13208	3.1
155.08551	6.2
156.09306	5.1
157.10074	36.9
159.11627	53.3
161.13199	23.6
163.03897	2.7
163.14777	4.8
168.09224	3.3
169.10062	12.6
170.10799	4.5
171.11613	31.7
173.13216	35.0
175.14758	13.5
183.11600	19.3
185.13176	29.1
187.14742	17.7
189.16335	5.7
191.03325	22.0
197.13197	11.3
199.14734	29.6
201.16296	12.1
203.14203	5.0
203.18042	3.2
211.14879	4.3
213.16315	14.5
227.17876	5.6
237.16246	3.5
253.19649	3.6
259.81677	3.0
273.18518	3.7
299.19852	41.3
367.22003	4.8
367.26166	76.8
421.30756	31.6
439.31647	46.1
460.19150	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	439.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	13.9
60.64903	3.0
66.07624	3.2
67.05477	17.3
69.03398	15.0
69.07038	16.5
71.04974	3.7
73.79063	3.6
79.05462	25.4
81.07027	34.4
81.55199	3.1
83.04934	19.8
85.02874	15.2
90.67583	2.9
91.05463	12.0
93.07018	35.0
95.08575	21.8
105.06974	35.4
107.04891	3.9
107.08556	35.6
109.06490	3.7
109.10127	34.4
119.08532	60.9
121.10102	40.9
123.08102	3.4
123.11628	12.8
125.09612	5.7
133.10083	63.3
135.08041	4.3
135.11612	16.2
137.09578	61.5
147.07964	6.9
147.47528	3.4
151.11133	18.8
159.11697	4.0
161.09566	11.3
161.13234	7.3
175.14772	33.4
201.16309	4.2
201.22401	3.3
203.14224	13.7
220.08191	3.0
259.20578	26.1
277.21527	100.0
461.72992	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	439.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71246	0.7
53.03945	0.7
55.05499	9.3
57.07050	2.0
67.05466	7.9
69.07032	8.5
71.04964	0.9
76.55316	0.9
79.05458	21.0
81.07027	16.4
83.04956	4.3
83.08587	1.8
85.06520	2.0
91.05441	24.9
93.07001	28.0
95.04941	2.1
95.08571	24.0
99.08049	9.5
105.06290	1.7
105.06995	44.3
107.08557	100.0
109.06516	1.7
109.10132	11.0
111.08026	1.2
117.06979	8.2
119.08534	80.4
121.10091	22.4
123.08018	5.6
123.11673	1.8
128.06180	1.2
129.06958	5.5
130.07704	1.5
131.08513	27.6
133.10080	62.9
135.07986	6.8
135.11636	11.7
137.09618	1.0
140.96312	0.8
142.07739	1.9
143.08531	12.5
144.09286	1.4
145.10075	53.1
147.08051	1.4
147.11641	22.0
149.09557	1.0
149.13196	5.1
155.08496	4.6
156.09299	2.1
157.10100	14.1
158.10857	2.1
159.07999	1.8
159.11627	22.6
161.09572	7.5
161.13205	24.9
163.11104	1.9
163.14766	7.8
165.12729	1.1
167.08514	1.8
169.10066	8.2
170.10812	1.4
171.11623	12.4
172.12372	1.6
173.13193	16.8
175.11115	3.9
175.14764	8.0
177.12721	1.4
177.16345	2.0
179.14229	5.2
181.10062	3.8
183.11661	6.3
185.09633	1.1
185.13193	10.8
187.14754	35.0
189.12663	3.7
189.16373	6.5
191.14307	4.7
193.10132	1.1
195.11591	2.2
197.13190	5.7
199.14682	8.3
201.12712	2.0
201.16275	9.5
203.14259	4.6
205.15822	6.2
207.11749	1.5
209.13216	2.2
211.14743	5.0
213.05238	0.9
213.16302	8.5
215.14256	5.2
215.17877	1.7
221.13164	1.7
223.14835	3.8
225.16341	4.0
227.17805	1.9
229.15813	1.8
231.17447	1.2
233.15366	2.3
237.16284	1.7
239.17856	2.0
241.15845	3.7
249.16333	1.2
251.17877	1.0
253.19330	2.0
259.16879	6.9
261.16245	1.1
267.21005	1.4
289.19467	1.0
321.25543	3.6
331.24271	1.2
335.26556	1.1
349.25159	5.6
351.23083	4.5
367.26163	19.9
378.67169	0.9
393.31305	4.8
395.29233	15.2
403.29620	6.1
421.30780	39.9
439.31906	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	439.2292
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.47216	0.4
67.05474	0.4
78.40327	0.5
81.07040	0.5
82.56087	0.4
83.01040	0.6
83.64712	0.4
86.03484	0.4
87.11180	0.4
93.07014	0.6
94.30791	0.5
95.01086	0.5
97.02644	0.8
113.02100	0.8
128.04453	0.5
155.75224	0.4
157.04639	0.6
158.05470	0.4
169.04659	0.9
186.04932	0.9
203.05215	2.8
219.82184	0.4
259.16660	2.9
277.17648	3.1
369.18686	9.0
389.48615	0.4
439.22882	100.0
440.23126	1.9
449.25848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2292
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
54.80676	0.4
55.05500	0.4
55.09073	0.4
61.60430	0.4
64.90186	0.4
67.05474	0.5
68.32138	0.4
75.13531	0.5
77.12978	0.5
79.49997	0.4
81.03407	0.6
81.07005	0.4
85.02884	0.6
85.47383	0.4
93.07020	1.1
105.06960	0.5
107.08585	0.5
109.10085	0.7
119.08476	0.5
121.10088	0.6
133.10107	1.8
191.03256	0.4
203.05228	2.0
259.16675	3.6
269.57605	0.5
277.17520	3.4
323.47668	0.4
349.78647	0.5
376.46457	0.6
376.51880	0.5
387.01019	0.5
392.70657	0.4
439.22867	100.0
440.23138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
55.01856	14.9
55.05495	11.0
57.03416	10.8
57.07055	11.1
61.02902	9.9
67.05479	12.7
68.99767	6.8
69.03403	51.8
69.07037	12.2
71.01301	1.0
71.04963	11.4
71.08620	1.6
73.02889	10.7
73.06514	1.1
77.16989	0.7
79.05447	7.7
81.03387	32.3
81.07025	61.7
83.01311	1.1
83.04946	3.4
83.08597	9.9
85.02872	100.0
85.06515	33.0
87.00797	54.2
91.03906	3.9
91.05432	4.8
93.07006	11.7
95.04926	4.7
95.07959	1.1
95.08568	51.3
97.02853	54.0
97.06505	4.7
97.10125	1.2
99.04412	16.0
99.08059	1.3
105.01833	35.1
105.06996	8.4
107.04887	1.2
107.08562	16.1
109.02851	29.4
109.06502	1.7
109.10117	10.0
111.04404	1.7
111.08032	3.9
111.11697	4.1
113.28530	0.9
115.03882	5.2
117.01798	3.7
117.06951	1.9
119.08559	8.3
120.08804	0.8
121.06457	1.4
121.10104	8.8
123.04358	1.2
123.08020	4.0
123.11669	2.8
125.09536	1.2
127.03869	47.0
129.01807	5.9
131.08516	3.7
133.10068	4.1
135.11638	3.8
137.05960	1.7
137.13203	46.2
141.38644	0.8
143.08485	1.5
145.04913	15.7
145.10065	1.9
147.02855	1.6
147.08009	3.3
147.11652	5.2
149.09605	1.1
149.13249	6.4
151.07562	1.1
153.12744	1.0
155.14255	4.8
157.10046	1.8
159.02827	15.3
159.11636	3.5
161.04327	0.8
161.09613	3.7
161.13179	3.8
165.09108	1.5
165.12671	4.4
167.14285	5.8
171.02872	1.1
173.13205	1.2
177.12685	1.3
179.14223	3.7
185.09572	1.4
187.10965	1.0
189.04034	1.3
189.12682	0.9
192.89368	0.9
193.08549	0.9
199.14845	1.1
209.15273	1.3
213.03947	1.0
215.98004	0.9
217.15848	1.1
227.14200	1.8
231.04941	7.7
239.16327	3.2
245.15346	7.4
263.16333	8.0
281.17441	1.8
315.10693	3.0
323.18417	1.6
349.16373	11.1
367.17273	8.3
385.18326	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	438.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01855	1.2
55.05490	11.8
56.96551	1.2
57.03419	6.2
57.07062	7.9
57.92740	0.7
59.04962	1.1
63.63309	0.9
67.05476	16.4
69.03403	22.1
69.07041	17.8
71.01317	0.9
71.04964	5.3
71.08631	1.3
73.02882	4.2
73.06532	2.2
79.05469	8.3
81.03374	9.9
81.07025	100.0
83.04993	1.4
83.08593	4.3
85.02876	22.7
85.06509	14.4
87.00805	14.2
87.04432	1.5
91.05441	1.5
93.07025	7.9
94.74326	0.9
95.04890	1.4
95.08568	88.5
97.02858	24.3
97.06503	1.4
97.10115	1.4
98.97551	1.9
99.04429	7.8
99.08072	1.4
105.01842	6.1
105.06994	5.2
107.08598	6.7
108.08955	1.0
109.02850	3.9
109.06470	1.4
109.10111	11.9
111.11698	11.3
115.03861	1.2
116.53329	0.9
119.08560	2.1
121.10110	4.3
123.08054	1.0
123.11662	9.2
127.03881	20.7
131.08501	1.7
133.10074	4.3
135.11653	2.1
136.27400	1.0
137.05916	0.9
137.13205	67.3
145.04941	5.4
145.10130	3.9
147.11601	1.0
149.09621	1.1
155.14250	14.0
163.11058	1.5
169.12137	1.4
173.09557	1.1
191.10626	1.5
231.04982	4.1
241.17929	1.4
249.05968	2.0
277.14673	1.1
290.72736	1.0
295.15195	2.1
313.16241	2.2
439.22879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16856	0.3
55.05482	0.3
57.03398	0.4
67.05468	0.5
69.03382	0.4
71.90874	0.3
72.10299	0.3
81.03375	0.3
81.07008	1.2
85.02879	0.4
87.00762	0.4
91.05430	2.6
93.06995	1.4
95.08552	0.6
97.02869	0.7
98.07450	0.3
105.01713	0.3
105.06988	1.2
107.04913	0.7
107.08536	1.8
109.10151	0.3
115.05396	1.8
116.06219	0.5
117.06960	0.6
119.08556	0.3
123.11684	0.3
128.06169	3.2
129.06958	11.2
130.07736	0.3
131.04884	0.3
131.08517	11.5
133.06427	1.2
133.10040	1.1
135.11644	1.2
141.06931	3.6
142.07755	1.7
143.04915	0.3
143.08513	2.4
144.05687	4.5
145.06453	2.6
146.07216	1.3
147.04333	0.6
147.08005	0.4
153.06921	1.1
155.05969	0.3
156.05626	1.1
157.06410	5.2
158.07240	0.6
159.04268	0.3
159.07994	20.2
161.05930	1.9
161.09543	4.3
167.06975	1.1
169.07581	1.9
170.07187	4.1
171.04413	0.4
171.07979	4.4
172.05121	1.8
173.05937	1.6
174.06691	1.3
175.07420	1.7
178.06157	0.5
185.05882	0.4
187.07477	15.2
188.08269	0.5
189.05399	1.3
189.09035	5.5
190.06166	0.7
191.06938	0.4
192.07808	0.4
198.06709	1.4
199.07463	2.4
201.05414	0.4
201.83141	0.3
203.06970	2.7
204.07761	10.0
205.08560	1.6
206.09367	0.5
207.10068	0.5
216.07724	2.4
217.08382	0.4
218.09372	1.1
219.10010	3.5
221.07932	0.4
221.11667	2.0
231.10077	5.7
234.08801	0.6
237.11093	0.7
249.11121	100.0
250.11421	0.5
252.22256	0.4
267.12173	0.6
340.68179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33390	0.1
51.90749	0.1
53.03920	0.4
54.57901	0.1
54.81081	0.2
55.01850	0.2
57.03418	1.7
58.44343	0.2
59.40738	0.1
60.03848	0.1
61.02898	0.7
66.03275	0.1
67.05470	0.7
69.03403	1.0
69.04526	0.2
69.10194	0.2
71.04963	0.4
73.02911	0.3
74.09668	0.2
75.04452	0.3
78.04690	1.3
79.05458	0.9
81.03374	1.1
81.07024	0.8
83.04932	0.4
85.02879	4.6
93.07017	0.8
95.04945	1.8
95.08573	0.7
97.02841	1.2
97.06519	0.6
99.04418	0.4
99.82201	0.2
103.03933	0.2
105.03361	0.4
106.04142	1.5
107.04913	0.4
107.08540	0.4
109.02837	1.2
109.06495	1.3
109.10117	0.6
111.04434	0.2
115.05392	0.2
119.08537	0.7
121.06490	0.4
121.10070	0.3
123.04382	5.4
123.08012	0.3
123.11635	0.2
124.05185	1.9
125.05899	0.3
125.09576	0.2
127.03899	1.4
127.07510	3.1
133.10088	0.3
134.03581	2.7
135.04422	0.7
137.02255	0.2
137.05893	0.6
137.09576	0.3
138.03088	1.8
138.05460	0.7
139.11006	0.2
140.04640	6.5
141.05441	2.8
145.04871	0.3
147.08023	1.1
149.09529	0.2
150.05408	0.3
151.03868	0.8
151.07474	0.3
151.37468	0.2
152.04636	4.2
153.05429	0.8
155.03325	0.9
155.06984	6.3
155.10521	0.2
163.03845	1.6
165.09082	0.3
167.06979	100.0
168.07367	0.4
170.05682	36.6
171.06094	0.2
173.07996	0.3
177.08972	0.3
181.08543	0.8
183.06442	1.4
184.07329	0.2
185.07996	1.1
205.12099	0.3
222.02979	0.2
223.09729	0.4
223.13168	0.8
233.10989	0.2
234.96834	0.3
241.10635	5.5
241.14276	1.0
241.96443	0.2
252.97856	0.3
259.11667	10.6
259.14853	0.5
259.15396	0.4
323.01929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.8
57.07052	9.8
59.05188	1.4
60.86341	1.2
65.49100	1.4
67.05479	19.6
69.07039	20.6
71.70665	1.3
79.05463	16.4
81.07028	66.7
81.07764	1.8
83.08590	6.6
91.05453	12.5
93.07010	24.9
94.34067	1.4
95.04906	2.1
95.08572	100.0
97.10115	2.6
105.06980	25.7
107.08561	33.5
109.06490	1.7
109.10120	33.0
111.11690	1.9
117.06979	6.0
119.08545	70.2
121.10095	25.8
123.11674	18.1
127.57429	1.4
129.06961	2.0
131.08522	12.2
133.10089	23.1
135.11653	16.4
137.13235	29.3
143.08525	5.9
145.10068	29.4
147.11693	14.4
149.13202	13.2
157.10115	12.4
159.11646	19.4
161.09586	1.9
161.13200	12.9
163.07500	3.6
163.14786	2.5
169.10048	6.4
171.11609	11.1
173.13268	13.9
175.14767	13.3
177.16283	2.5
183.11655	5.8
185.13161	6.6
187.14717	5.8
189.16321	6.8
191.17885	7.2
197.13313	2.6
199.14720	6.2
201.16287	14.2
203.17874	15.9
210.18257	1.6
211.14676	5.5
213.16351	8.3
215.17918	5.5
217.19319	2.2
225.16263	3.7
227.17931	2.8
229.19258	1.8
233.11212	1.5
239.17857	6.9
241.19386	10.8
243.21004	2.6
253.19368	6.1
255.20949	3.0
259.16818	6.1
275.19995	1.5
285.18518	3.2
299.20096	2.5
391.33374	10.0
393.34949	8.5
419.28467	2.1
437.34137	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	438.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22248	0.2
53.03905	0.3
54.05547	0.2
56.19691	0.2
57.03408	2.4
61.02898	0.3
63.36920	0.2
66.86549	0.2
67.05477	0.5
69.03395	0.6
71.04954	0.5
73.02859	0.3
74.09715	0.3
77.28819	0.3
78.04677	1.1
79.05449	1.0
81.03368	1.2
81.07014	0.5
85.02866	3.2
91.05431	0.4
93.07008	0.9
95.04920	1.6
97.02858	1.1
97.06495	0.5
99.04409	0.5
105.06992	0.3
106.04140	1.6
107.04895	0.3
109.02880	0.8
109.06470	0.4
123.04387	4.7
124.05108	2.4
125.05915	0.3
127.03896	1.3
127.07526	3.0
134.03564	2.1
135.04384	0.5
137.05991	0.4
137.59473	0.2
138.03078	2.2
138.05423	0.4
140.04630	7.2
141.05411	2.8
145.04868	0.4
147.08028	0.4
149.05965	0.3
151.03842	1.2
151.07497	0.3
152.04643	4.8
153.05421	1.1
155.03340	0.4
155.05818	0.4
155.06982	7.3
159.03882	0.3
160.85349	0.2
163.03857	1.5
167.06975	100.0
168.07333	0.4
169.04950	0.4
170.05673	35.2
173.08017	0.5
177.05431	0.4
177.09056	0.5
178.09149	0.3
181.08540	0.5
183.06474	2.1
185.07986	1.3
201.07407	0.3
223.13246	0.4
227.09077	0.4
237.09419	0.3
241.10614	5.8
241.14253	0.6
247.18729	0.2
257.29413	0.3
259.11676	11.8
260.11661	0.3
307.26071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36010	1.7
54.81413	1.3
55.05497	18.6
55.93873	1.5
57.07043	8.6
60.66309	1.7
67.05477	26.9
68.66098	1.6
69.06705	2.7
69.07040	28.3
79.05452	14.1
81.07027	68.4
83.08578	7.9
86.11964	1.8
91.05463	16.8
91.05940	1.6
93.07005	39.0
95.08571	100.0
97.05068	1.8
97.10127	7.9
105.06998	37.8
107.08562	63.4
109.10124	40.4
117.07008	7.5
119.08535	74.6
121.10102	41.8
123.11661	21.8
129.06944	3.2
131.08527	28.7
133.10094	33.0
135.11653	28.0
137.13202	19.0
143.08553	13.2
143.18810	1.7
145.10077	49.4
147.11649	24.1
149.13213	19.4
151.07507	2.8
151.11124	2.5
155.08525	2.0
157.09995	10.0
158.10786	2.6
159.11612	32.6
160.12059	1.9
161.13196	16.2
163.07434	7.4
163.14754	3.8
169.10048	3.0
171.11638	13.5
173.13223	28.5
175.14772	14.0
177.16328	4.1
179.17886	2.8
183.11580	2.9
184.36790	1.8
185.13138	9.6
187.14737	16.1
189.16328	14.6
191.17911	27.8
197.13199	2.3
199.14825	14.3
201.16322	59.3
202.16589	2.1
203.17947	13.1
205.19444	4.4
213.16318	23.7
215.17783	7.5
217.12358	2.2
219.13698	3.8
220.09622	2.2
225.16335	2.0
227.17772	2.7
231.20758	2.8
239.17862	8.7
241.19376	9.8
245.15231	3.9
247.16806	11.6
253.19279	3.4
257.18936	2.0
257.22531	3.6
259.16794	7.0
259.42151	1.9
285.18304	2.1
287.20065	3.6
299.20068	2.5
391.33310	13.8
437.34039	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.6
57.07057	7.6
67.05476	23.2
69.07035	23.2
79.05459	11.0
81.07019	56.3
83.08594	8.7
91.05437	10.9
92.08742	2.2
93.07004	24.7
95.00048	1.1
95.08568	100.0
97.03904	1.0
97.10128	2.4
105.06995	34.0
107.08562	38.2
109.10115	40.2
111.53309	1.1
117.06976	6.1
119.08536	53.5
120.87714	1.2
121.10094	24.8
123.11662	15.9
128.06233	1.2
129.06987	4.4
131.08516	16.2
133.05685	1.1
133.10078	28.1
135.11641	16.1
137.13197	14.8
141.06920	8.5
143.08533	10.1
145.10080	41.7
147.11650	24.9
149.13226	12.6
151.14784	7.8
155.08565	5.0
157.10066	14.4
159.11617	20.4
161.13197	18.7
163.14784	7.0
169.10049	8.2
171.11630	20.6
173.13182	18.8
173.14343	1.2
175.14743	28.8
177.16331	6.5
183.11641	8.8
185.13234	10.8
187.14775	9.3
189.16336	16.5
191.17863	8.9
193.82748	1.2
197.05923	6.2
197.13214	6.4
198.13928	1.5
199.14757	14.0
201.16295	30.4
203.17914	16.1
211.14810	5.4
213.16304	15.7
215.17863	11.5
217.12071	1.6
217.19421	4.7
221.15387	1.4
222.05115	1.4
223.14839	2.1
225.16350	6.6
227.17943	4.5
229.19489	2.7
239.17812	12.3
241.19429	19.4
243.21091	7.3
247.16876	1.8
253.19531	6.4
255.20998	5.2
259.16705	2.2
259.20447	2.4
265.19501	1.7
267.21191	5.0
269.22650	1.8
274.33612	1.2
281.22699	1.8
285.18408	10.2
287.19907	5.7
295.24271	2.6
299.20013	5.2
307.24051	1.6
313.21649	2.3
315.23523	1.4
321.25748	1.5
328.85342	1.1
335.27286	4.7
349.28824	1.3
353.24722	2.2
381.27631	1.4
391.33441	18.1
437.34119	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.5
57.07047	8.2
57.85306	1.1
67.05481	21.2
69.07043	30.2
74.57966	1.0
79.05451	13.1
81.07026	49.0
83.08600	9.1
91.05451	11.3
93.06997	31.1
95.08566	100.0
97.10139	4.7
104.76713	1.2
105.06997	31.3
107.08560	45.4
109.06491	1.3
109.10124	36.1
109.92710	1.3
111.11632	1.6
117.07007	5.1
119.08542	48.2
121.10098	33.6
123.11675	16.2
129.06938	1.9
131.08505	15.8
133.10080	27.3
135.11629	16.7
137.13228	12.3
141.06966	1.2
143.08534	11.6
145.10080	36.3
147.11670	19.3
149.13229	25.2
151.14818	6.3
153.09047	2.1
155.08458	2.5
157.10043	11.1
158.10822	1.3
159.11627	19.4
160.12463	1.5
161.13162	17.7
161.14140	1.2
163.14775	7.0
163.86943	1.2
169.10081	6.7
171.11632	16.0
173.13139	17.3
173.33974	1.2
175.14740	22.5
176.83900	1.2
177.09077	1.7
177.16354	6.9
179.10623	1.8
183.11613	8.5
185.13141	9.2
187.14716	11.4
189.16330	16.2
191.17932	7.3
197.13211	2.8
199.14763	9.6
201.16270	22.1
203.17912	15.0
211.14761	6.4
213.16356	13.9
215.17879	11.8
217.19415	2.1
223.14716	1.8
225.16251	4.6
227.17928	4.9
229.19392	2.1
231.17352	1.3
239.17896	11.4
241.19400	19.9
243.21060	4.6
245.15448	1.5
247.16853	5.7
249.18130	1.4
253.19360	8.9
255.21025	6.8
259.16849	2.8
259.20615	1.9
262.59476	1.5
265.19489	1.6
267.20889	4.3
269.22592	1.9
273.18475	2.1
285.18387	8.2
287.19922	2.9
295.23975	1.8
299.20047	6.9
301.21289	1.3
307.24039	1.7
309.25467	1.6
335.27246	2.1
349.28967	1.9
391.33405	20.0
437.34015	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09882	1.4
55.05489	21.1
57.07039	7.5
67.05478	22.1
69.07045	26.5
76.40582	1.8
79.05450	17.2
81.07021	70.3
83.08578	13.8
91.05446	16.0
92.08789	2.0
93.07007	38.0
95.08569	100.0
96.77377	1.6
97.10143	6.2
97.39549	1.7
105.06989	32.1
107.08560	66.0
109.10118	47.2
117.06978	3.3
119.08533	71.8
121.10090	41.9
123.11655	26.5
129.06923	2.7
131.08482	21.6
133.10078	34.8
135.11647	27.7
137.13203	22.5
143.08527	15.9
145.10085	41.0
147.11613	27.6
149.13203	29.7
156.97276	1.9
157.10057	13.6
159.11644	25.8
161.13159	14.7
163.07442	7.4
163.14749	9.0
169.10042	2.9
171.11617	8.0
173.13159	27.6
175.11195	2.0
175.14700	14.7
177.09030	3.2
177.16313	3.9
183.11583	9.8
185.13210	8.8
187.14771	16.4
189.16373	14.0
191.10660	2.4
191.17879	19.8
197.13232	3.9
199.14720	14.4
201.16295	47.2
203.17892	10.9
205.19435	4.1
211.14751	3.0
213.16283	27.5
215.17882	4.5
217.19504	3.5
219.13852	3.6
225.16193	2.3
227.17802	4.0
233.15208	2.1
239.17812	7.2
241.19456	12.7
245.15187	3.8
245.22592	2.1
247.16768	7.2
253.19299	8.0
255.20924	2.7
259.16742	11.2
261.77908	1.8
269.22836	1.9
285.18277	4.4
287.19873	3.6
299.19952	4.3
313.21466	2.7
370.56006	1.8
391.33560	15.3
437.33948	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	437.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.4
57.07047	4.7
65.86166	0.9
67.05495	11.7
69.07034	18.7
69.20950	0.8
79.05464	8.5
81.07028	25.8
83.08602	8.4
91.05431	12.6
92.09279	1.2
93.07005	20.9
95.08569	50.3
97.10130	2.3
105.07005	40.9
107.08566	37.9
107.09303	1.2
109.10122	23.9
117.06971	5.1
119.08539	73.4
121.10083	26.3
123.11672	7.0
131.08516	16.8
133.09076	1.8
133.10085	52.2
135.11655	17.6
137.13246	1.7
142.07800	1.3
143.08473	7.3
144.09363	3.3
144.69939	1.0
145.10075	40.5
146.10832	1.2
147.11649	38.3
149.13222	8.6
153.09082	4.0
157.10077	5.5
158.10858	5.6
159.11641	41.7
161.13202	27.1
163.14743	6.7
169.10106	1.3
171.11623	5.5
173.13184	17.7
174.13977	1.9
175.14748	16.2
177.16327	15.5
183.11697	1.5
185.13216	5.1
187.14717	16.2
187.15938	0.9
189.16319	100.0
191.17926	4.9
199.14771	4.2
201.16313	44.6
203.17896	45.7
203.19739	2.0
207.13799	1.0
213.16287	11.3
215.17868	20.5
217.19466	1.9
227.17761	1.4
229.19302	3.2
230.67334	0.9
231.17404	1.3
235.16864	1.4
239.17854	3.7
241.19536	3.9
243.20958	1.7
247.16820	6.1
249.18430	2.0
255.21005	1.2
259.16840	2.0
261.18454	2.1
281.22321	1.3
313.86179	1.2
321.25830	1.0
349.28677	1.9
391.33475	10.1
395.29529	1.3
409.34470	1.1
437.34009	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22904	1.4
53.01383	1.3
55.05498	20.8
57.07053	4.1
67.05471	24.9
68.04881	1.6
69.07039	27.5
70.61204	1.6
79.05460	13.9
81.07024	64.0
83.08590	16.3
84.42106	1.8
91.05442	19.1
93.07008	43.9
95.07948	3.7
95.08561	100.0
97.10123	9.0
105.06993	40.7
107.08556	56.9
109.10124	51.9
117.06953	4.1
119.08533	83.4
121.10088	45.0
123.08013	2.4
123.11667	25.7
125.05955	2.1
129.06941	2.9
130.07722	2.0
131.08490	21.8
132.28279	1.9
133.10092	34.3
135.11633	24.3
137.13203	17.8
142.30446	1.7
143.08525	10.2
144.09279	2.3
145.10062	54.8
147.11613	24.1
149.13206	27.2
151.14810	2.5
155.08517	3.6
157.09024	1.9
157.10025	15.5
158.10878	2.7
159.11627	44.9
161.13196	22.5
163.07472	11.6
163.14755	7.5
169.10059	3.6
171.11661	15.8
173.13179	36.4
175.14810	16.1
177.09103	3.7
177.16399	8.1
183.11665	10.5
185.13206	9.3
186.14040	1.9
187.14764	15.4
189.16318	15.8
191.17860	36.4
197.13283	3.5
199.14716	15.5
199.98158	1.8
201.16313	82.2
203.17871	15.2
205.19440	8.7
211.14764	4.4
213.16295	28.0
215.14192	3.5
215.17926	7.6
217.19502	2.9
219.13690	2.1
219.17285	3.1
221.15358	2.0
225.16325	3.7
227.17947	4.4
229.15666	2.6
229.19531	3.5
231.17348	3.1
233.15292	2.4
239.17828	3.3
241.19412	9.9
245.15231	8.1
247.16902	12.0
253.13037	1.8
253.19379	6.9
259.16821	11.6
285.18390	4.1
287.19949	11.0
299.19885	3.8
313.21466	2.8
328.76474	1.9
391.33640	12.5
435.07306	1.8
437.34152	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.5
54.27076	2.4
55.05490	15.1
62.42789	2.5
67.05471	35.1
69.07043	25.3
72.70275	2.2
79.05464	19.0
81.07022	48.7
81.26598	2.4
82.70251	2.2
83.08573	9.6
87.38631	2.2
91.05428	18.0
91.69102	2.4
92.20172	2.3
93.07002	45.1
95.08566	78.7
97.10126	3.1
100.74941	2.3
105.06989	61.0
107.08553	64.6
109.06457	3.1
109.10122	63.8
111.08099	2.5
117.07008	3.1
118.65783	2.9
119.08536	100.0
121.10105	48.1
123.11644	10.4
127.61975	2.3
129.80321	3.3
131.08495	29.4
133.10075	57.3
135.11639	29.5
137.13251	5.3
143.08481	4.4
145.10062	42.3
147.11615	50.9
149.13234	18.8
153.09108	3.3
155.08598	3.4
157.10129	9.8
159.11623	42.0
161.13200	23.7
163.14771	5.4
169.10083	2.9
171.11649	5.7
173.13170	32.3
175.14676	23.8
177.16341	16.4
183.11630	4.0
185.13161	4.8
187.14677	18.0
189.16312	50.2
191.17989	5.4
199.14638	3.9
201.16333	44.6
203.17882	32.5
211.14633	2.7
213.16331	12.2
215.17874	31.7
217.19423	4.2
225.16324	4.2
229.19525	5.2
239.17902	5.3
241.19357	5.5
243.20934	5.4
247.16710	4.4
269.22461	3.1
281.22589	3.1
284.48029	3.0
285.18250	3.2
335.27188	2.6
368.12662	2.7
391.33438	24.9
402.19589	2.6
437.34003	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.05487	7.3
57.03405	1.3
67.05472	8.3
69.03411	2.2
69.07047	11.0
69.07360	1.6
71.04964	22.7
79.05450	22.6
81.07025	100.0
83.04945	1.9
83.08598	2.4
85.02869	5.6
85.06528	1.4
86.09677	6.8
91.05451	6.0
92.08650	1.4
93.07003	36.3
95.08565	21.2
97.02869	1.4
97.06494	2.1
97.10098	1.4
99.08025	2.0
103.05363	1.3
105.06995	23.1
107.08556	59.6
109.06487	1.2
109.10114	24.0
117.06940	1.7
117.15386	1.3
119.08537	27.9
120.08046	2.9
121.10075	9.0
123.11642	13.4
125.09583	6.7
127.11097	11.5
128.38866	1.2
133.10098	30.2
134.61626	1.3
135.11646	96.9
137.13251	2.1
143.10632	18.2
145.10027	1.9
147.11630	16.6
149.13210	2.1
157.06432	1.5
159.11603	1.7
161.13206	14.1
163.14812	2.2
176.10518	1.3
203.17894	35.5
221.18936	43.4
239.19984	2.4
336.46167	1.3
379.05594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82057	1.1
53.03939	1.4
53.25328	0.9
55.05495	8.6
55.10863	0.9
56.34882	1.1
57.03428	1.1
57.07060	2.8
67.05475	8.3
69.03423	2.1
69.07032	10.7
71.04971	20.0
72.08134	1.5
79.05463	21.9
79.11912	1.2
81.07024	100.0
83.08595	4.8
85.02884	10.1
91.05437	7.0
93.07010	33.3
95.08564	20.5
95.25628	1.1
97.02859	1.5
97.06473	1.3
97.10108	1.9
97.26980	1.2
99.08084	1.7
105.07002	28.4
107.08559	54.7
109.06491	1.1
109.10131	19.7
109.76153	1.2
111.04303	1.4
112.44450	1.1
119.08538	29.9
121.06562	1.1
121.10096	9.5
123.07986	1.9
123.11650	13.8
125.09608	2.6
127.03890	1.9
127.11153	11.3
131.08527	1.7
133.10078	27.4
135.11646	81.1
137.09517	1.3
137.13264	2.3
139.11131	1.5
143.10617	12.3
145.10162	1.7
147.11649	18.1
149.13226	2.0
151.11121	2.3
153.12698	2.6
161.13219	8.0
167.06972	7.5
203.17896	30.0
221.18919	36.0
239.20013	1.5
257.21048	1.8
316.14346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05690	1.0
55.01862	1.4
55.05510	5.1
56.96555	7.1
57.03414	1.6
61.02913	5.9
67.05493	7.6
69.03428	4.9
69.07058	8.2
70.28299	1.1
73.02882	4.6
79.05489	6.4
81.03403	5.4
81.07041	10.9
83.04984	1.4
83.08613	4.4
85.02867	8.1
89.22609	1.0
91.03944	1.3
91.05477	5.5
92.05930	1.2
93.07046	6.2
95.04944	1.3
95.08591	9.7
97.02879	4.6
97.10139	1.3
98.97592	1.5
105.07027	7.0
107.08578	9.0
109.02885	1.5
109.10169	5.1
116.98623	2.3
117.07005	2.6
119.08583	5.9
121.10142	6.0
123.11726	1.4
131.08571	2.6
133.02895	1.4
133.10091	2.7
135.08038	1.4
135.11676	1.7
137.09656	1.4
145.10129	5.5
147.11710	5.1
148.18933	1.2
159.11766	2.6
169.10164	1.4
173.13185	2.3
175.11089	1.3
185.04269	6.3
189.09084	1.4
197.01187	1.3
208.40286	1.2
255.09009	2.1
267.08997	11.1
273.10156	1.5
275.12637	55.7
275.16254	69.9
285.09973	22.6
286.10260	1.6
296.90607	1.2
324.11572	4.8
324.62170	1.2
437.21625	100.0
444.68103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.4
53.03932	1.6
54.80994	1.2
55.01878	1.1
55.05494	4.7
56.96039	1.0
57.03411	1.7
59.04996	1.5
60.34159	1.0
64.32528	1.2
67.05489	1.9
69.03403	9.5
69.07045	6.7
71.04967	39.8
73.02902	1.4
73.06528	13.2
77.19887	1.1
79.05470	11.7
81.03399	5.0
81.07023	53.7
85.02886	23.7
87.00795	12.9
91.05461	5.7
92.09439	2.3
92.62852	1.2
93.07016	32.5
95.08567	5.5
96.01205	1.2
97.02847	5.0
97.06492	2.0
97.73282	1.2
99.04433	2.0
100.53358	1.3
105.01845	16.2
105.07013	1.7
107.08566	24.3
109.10132	6.8
119.08544	1.7
127.03844	12.0
135.11652	39.6
137.86621	1.1
145.04948	2.0
153.12694	100.0
167.07025	1.7
249.06084	1.9
420.48312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	9.6
55.31399	0.9
57.03416	1.2
57.07060	1.6
59.04993	1.3
61.02905	1.2
67.05483	12.2
69.03408	4.8
69.07044	15.5
71.04965	13.0
79.05456	18.7
81.03391	1.3
81.07024	100.0
83.08593	6.5
84.04842	0.8
85.02874	12.5
85.06541	1.2
91.05447	9.8
92.19238	0.9
93.07003	38.7
95.08568	39.8
97.02876	1.5
97.06519	2.5
97.10117	2.7
99.08064	2.1
105.06997	36.5
107.08558	66.2
109.09393	2.2
109.10123	42.9
109.10873	2.2
111.08096	1.2
111.11721	1.1
114.11832	1.0
119.08541	54.4
119.09410	1.7
121.10098	14.3
123.08024	1.1
123.11675	18.9
125.09570	2.4
127.11153	17.1
133.10088	33.1
135.11639	77.9
137.13235	5.8
143.10616	13.0
145.04895	1.5
145.10069	4.5
147.11635	25.9
149.13226	5.2
153.12715	2.3
157.10150	1.4
159.11575	2.3
161.13193	15.0
163.14772	2.0
171.41728	1.1
175.14799	2.2
177.16263	1.3
202.67902	1.1
203.17888	44.2
203.19727	1.8
221.18930	42.0
239.19943	2.4
280.70163	1.0
307.07736	1.2
332.40723	1.1
388.77997	1.2
432.32074	1.1
434.34570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.4
55.05490	12.7
56.96547	1.5
57.03415	3.5
57.07048	2.2
61.02907	2.4
61.48074	1.4
64.32766	1.6
67.05480	16.2
67.17509	1.4
69.03408	7.5
69.07045	28.0
71.04977	19.8
79.05453	14.5
81.03405	7.0
81.07027	100.0
83.04959	1.8
83.08603	6.2
85.02885	40.1
85.06519	3.3
91.05474	6.6
93.07024	29.4
95.04977	2.3
95.08573	42.5
97.02876	6.8
97.06539	2.4
97.10125	2.7
99.08022	2.3
105.07002	51.5
107.08570	44.5
109.02860	8.0
109.10125	64.7
111.08040	2.9
111.11718	2.3
113.09666	1.9
118.06823	1.4
119.08548	98.8
119.81300	1.6
120.08868	1.8
121.06475	1.7
121.10112	20.3
123.04452	2.0
123.11651	22.8
125.09652	1.8
127.03893	7.8
127.11150	58.7
127.12049	2.8
133.10091	22.0
135.11652	53.4
137.13248	6.0
139.11096	1.7
140.13509	1.4
145.04996	2.7
145.10088	2.3
147.11630	32.3
149.13242	12.4
153.01810	1.6
153.12737	2.6
159.11646	6.2
161.13252	10.6
163.14757	2.6
167.07043	3.4
175.14728	2.3
177.05447	1.9
177.16322	2.4
188.90598	2.2
201.09163	2.2
203.15997	3.1
203.17892	67.3
221.18932	89.9
239.20058	17.1
324.08395	1.6
437.21201	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.2
53.03918	1.6
55.01851	7.4
55.05490	6.5
56.96553	1.2
57.03428	4.8
57.06783	2.6
57.07055	64.9
59.04966	1.3
60.07912	1.0
61.02900	8.0
61.63581	1.1
67.05478	11.2
69.03401	16.6
69.07038	10.4
70.32539	1.1
71.04945	1.9
73.02893	1.9
79.05450	2.3
81.03391	7.4
81.07022	13.5
83.08588	2.1
85.02874	46.3
85.06512	64.7
87.04424	1.5
91.03934	1.7
91.05439	2.5
93.07012	8.4
95.04933	15.6
95.08569	29.2
97.02863	11.5
97.06509	2.8
98.97549	1.9
99.04427	4.9
101.52698	1.3
105.06985	2.5
107.08566	8.5
109.02852	5.1
109.06480	64.0
109.07198	2.2
109.10110	16.7
111.08040	2.5
119.08519	9.9
120.62275	1.3
121.10107	2.7
123.08062	12.1
125.05924	1.3
127.03850	5.1
132.99402	1.3
133.10109	4.9
137.09561	19.1
145.04964	1.6
145.10118	1.3
153.09035	11.7
155.10629	25.6
161.13219	3.1
165.09058	6.7
179.14240	44.3
189.04398	1.3
193.15889	2.3
203.14244	2.2
221.15308	11.7
239.16327	100.0
257.14679	2.2
257.17380	51.9
257.19980	2.5
314.50327	1.3
323.10376	1.8
336.13876	1.4
359.06277	1.3
401.21857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80905	0.7
55.05494	1.5
59.04988	1.3
64.81886	0.7
65.93549	0.8
67.05485	0.9
69.03395	1.9
69.07045	3.8
70.82674	0.7
71.04968	30.0
73.06519	8.3
79.05450	5.5
81.03393	0.9
81.07027	36.1
85.02875	6.2
87.00803	5.1
89.68507	0.7
91.05447	1.8
93.07014	17.9
94.41367	0.7
95.08582	4.1
97.02885	3.3
97.06506	1.3
105.01843	3.7
105.06942	0.9
107.08561	15.1
109.02866	1.0
109.10114	1.8
122.15987	0.7
127.03887	1.6
135.11650	31.0
153.12697	100.0
212.21193	0.8
227.59517	0.8
229.24919	0.8
264.87372	0.9
364.20132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13049	0.5
55.01844	1.1
55.89016	0.5
57.03420	7.1
58.93311	0.6
58.93633	0.5
60.19094	0.5
61.02886	0.8
69.03396	3.1
70.06547	2.6
71.04981	0.9
75.04443	1.1
79.05445	1.4
81.03364	0.9
81.07032	1.1
81.90578	0.7
83.04934	0.9
85.02880	8.8
91.05464	0.8
96.82764	0.7
97.02840	2.7
103.05436	2.6
105.03379	1.1
105.06998	30.9
107.04919	2.7
109.06486	1.2
112.07563	0.9
117.06915	1.0
119.08532	1.1
121.06445	0.8
122.03611	2.4
123.08018	0.8
133.06450	55.9
135.04416	0.7
137.05933	100.0
151.07506	0.8
160.41565	0.6
163.07477	4.3
165.09058	23.0
175.07489	4.7
175.10889	0.7
177.09001	1.2
181.08423	0.9
183.10095	12.7
192.43956	0.7
203.10561	1.6
209.11551	0.8
221.11610	3.2
239.12737	3.1
257.13727	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21648	0.3
53.00286	0.4
53.03925	0.8
55.01849	1.5
55.05489	6.1
56.05812	0.4
57.03151	0.6
57.03416	14.1
58.03735	1.9
59.04974	0.7
60.58077	0.3
61.02905	3.7
62.03227	0.4
65.03890	0.4
67.05476	3.3
68.99763	1.9
69.03397	6.1
69.07034	2.1
70.03745	0.3
70.06561	0.4
71.01328	0.4
71.04960	5.3
73.02882	21.8
73.06524	0.5
74.03217	3.0
79.05457	3.8
81.03384	2.3
81.07021	13.5
82.07354	0.8
83.04946	4.1
84.05289	0.5
85.02872	11.9
85.06506	1.5
86.09673	0.5
87.00788	4.4
87.04440	0.7
91.05433	3.9
92.05778	0.4
92.09386	0.7
93.06425	0.7
93.07002	17.8
94.07345	0.8
95.04929	2.9
95.08563	6.8
96.08914	0.6
97.02853	6.8
97.06481	2.5
99.04393	1.6
105.01830	4.7
105.06997	7.8
106.07328	1.7
107.08548	15.0
108.08871	0.6
108.87372	0.3
109.02853	2.9
109.06488	0.9
109.10120	4.2
110.10445	0.4
111.00777	1.7
111.08026	0.8
115.03886	0.6
117.06953	0.9
119.08520	3.5
120.08031	0.3
120.08890	0.6
121.02821	1.9
121.06469	0.6
121.10096	5.9
122.03128	0.8
122.10431	1.5
123.11663	0.7
125.09587	0.7
127.03874	5.3
127.11156	1.5
131.08484	1.4
133.10080	11.6
134.10402	3.2
135.07961	0.5
135.11644	12.3
136.11949	0.6
137.02309	5.0
137.09521	0.4
137.13206	1.9
138.02628	2.2
139.11176	0.6
143.10600	0.7
145.04921	1.6
145.10049	3.1
147.11661	2.5
149.13274	0.6
151.11124	2.2
152.11476	0.7
153.01776	5.8
153.12669	4.4
154.02150	2.4
159.02907	0.6
159.07985	0.5
159.11624	2.8
161.05946	0.4
161.09578	0.5
161.13104	0.5
163.03835	0.9
163.07446	0.4
164.04196	0.4
165.01778	2.7
166.02124	2.5
174.06329	0.4
175.11005	0.5
183.02826	0.6
184.03224	0.5
184.04626	0.6
201.05350	1.9
201.16312	1.6
202.05737	2.7
202.16690	0.9
203.17938	0.4
219.17438	2.0
220.17691	1.5
221.15535	0.4
229.04892	3.7
230.05220	5.5
231.04889	0.8
237.18420	7.1
238.18700	4.3
247.05876	0.6
248.06133	0.9
249.06070	0.6
257.04321	2.5
258.04700	4.3
274.04538	0.6
275.05026	0.9
286.04169	1.7
303.04877	33.6
304.05209	100.0
305.05460	2.7
346.15289	0.4
352.34015	0.4
389.51688	0.4
436.11755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3248
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05484	9.5
56.45436	5.2
57.07037	5.9
58.40707	4.6
58.84776	4.7
65.73424	4.9
67.05466	28.3
69.07027	28.2
79.05449	32.6
81.07021	57.8
83.08595	9.2
91.05466	19.5
92.08606	10.5
92.62804	5.2
93.06992	50.8
95.08561	65.4
98.37459	4.5
98.98400	11.6
103.57825	5.5
104.76949	4.9
105.06979	23.1
107.08555	77.5
109.06487	7.5
109.10114	34.5
109.89503	5.4
117.06977	9.0
119.08528	56.5
121.10076	45.6
131.08499	21.6
133.10060	50.5
135.11639	27.5
135.41931	6.2
137.05888	5.5
143.08507	6.9
145.10081	52.9
147.11606	10.0
149.13159	6.2
157.10097	23.4
159.11658	38.4
161.13193	11.3
163.14737	36.4
169.00601	5.2
169.10097	7.8
171.11621	11.4
173.13138	22.1
175.14743	12.8
177.16347	27.2
183.11597	5.3
185.13156	11.9
187.14664	12.2
189.16345	8.5
199.14798	22.0
201.16336	30.9
203.17889	5.5
213.16176	9.3
215.17889	10.5
227.17932	6.6
277.89127	4.8
284.96460	5.7
329.27899	5.6
340.70575	5.6
389.31741	12.0
435.32593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81149	0.4
55.05492	3.6
56.05020	24.7
57.07043	2.0
57.07306	0.4
64.32764	0.4
67.05478	12.3
68.05006	0.7
68.65957	0.4
69.07039	10.5
70.06559	0.7
70.48211	0.4
79.05449	0.9
80.04998	0.6
81.07024	3.8
83.08575	2.3
84.08118	0.8
89.05957	0.7
91.01822	0.4
91.05446	6.7
93.07014	6.5
95.04900	0.6
95.08566	7.0
98.09626	0.5
107.08530	0.8
108.08037	0.7
109.09410	0.7
109.10126	17.4
110.09686	1.5
111.08042	1.1
111.11704	2.5
117.06918	0.5
119.08546	5.2
119.80886	0.4
121.10075	0.5
126.12720	0.5
136.11195	3.5
137.09555	4.9
154.12219	100.0
171.14857	40.5
171.17058	0.7
172.51895	0.5
418.36734	3.3
435.39267	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	435.3247
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.32528	1.4
55.05496	17.9
56.94706	1.4
57.07045	2.1
67.05483	22.9
69.07037	22.1
79.05445	12.5
81.07018	23.7
83.08581	9.7
86.37102	1.9
91.05441	14.9
93.07002	21.3
95.08560	65.7
105.06988	35.0
107.08555	43.8
109.06505	2.1
109.10126	21.2
114.13813	1.8
117.06991	7.0
119.07738	3.7
119.08530	66.5
121.10103	26.5
123.11652	9.3
129.06972	4.2
130.07742	2.4
131.08542	21.3
133.10083	34.1
135.11635	20.3
143.08472	14.3
144.09277	2.3
145.10094	41.3
147.11652	23.2
149.13185	10.6
151.65932	1.9
155.08453	3.4
157.10066	12.4
159.11607	37.7
159.82547	1.8
161.13164	14.6
163.07469	4.5
163.14798	3.0
169.10052	8.6
171.11653	14.7
173.13158	16.7
175.14725	15.9
177.16371	2.5
181.10139	2.6
182.10866	2.2
183.11644	8.5
185.13167	13.8
187.14754	14.6
189.16325	24.9
197.13220	4.2
199.14783	17.5
201.16310	30.4
203.17880	7.0
209.13287	2.8
211.14922	2.3
213.16306	13.9
215.17896	11.1
217.19522	2.9
223.14726	4.3
225.16327	11.6
227.17963	3.5
233.15324	1.9
237.16304	2.6
239.17935	3.6
243.21065	2.6
253.19421	3.6
259.16852	2.4
262.98923	2.1
265.19531	3.9
267.20877	4.4
271.17224	2.1
279.20627	2.1
281.22580	2.6
283.23950	3.1
285.18466	2.2
295.24152	8.7
297.18289	1.9
333.25864	2.2
353.24741	3.0
365.15497	2.0
376.52872	2.0
389.31778	25.1
391.33316	2.6
430.69220	2.1
435.32434	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22049	4.9
55.05511	13.5
55.43039	5.5
57.07055	7.9
67.05484	32.9
68.65160	5.5
69.07059	10.9
79.05464	11.3
81.07037	33.0
91.05454	24.4
93.07004	51.3
95.08554	51.5
105.07014	45.1
107.08577	57.8
107.37228	6.5
108.08920	6.0
109.06498	7.9
109.10130	42.1
119.08543	96.3
121.10089	45.9
123.11703	10.9
131.08551	24.9
133.10100	100.0
135.11665	13.2
143.08525	6.3
145.10086	74.0
147.11650	27.9
157.10078	11.5
159.11659	41.1
161.13156	8.8
163.14871	10.3
173.13237	28.7
175.14827	27.9
183.11655	10.1
185.13208	13.6
187.14815	46.4
189.16220	8.0
199.14796	11.1
201.16347	38.3
211.31787	6.5
213.16360	32.5
224.24835	6.4
227.17758	7.8
318.21271	7.0
342.34113	7.4
389.31946	27.3
415.64398	6.1
419.71744	6.7
435.32629	74.1
457.25446	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	435.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	15.3
57.07051	6.9
67.05486	26.9
69.07034	29.8
79.05475	25.2
81.07028	58.9
83.08585	12.4
91.05455	25.4
93.07003	49.5
95.08576	100.0
97.10136	3.8
105.07002	46.1
107.08566	53.6
109.10130	39.9
113.09539	2.7
117.06985	7.7
119.08552	87.4
121.10110	42.7
123.11644	15.0
128.06186	5.1
129.06978	4.6
131.08517	31.3
133.10069	27.7
135.11661	19.0
137.13213	14.7
139.15991	2.9
142.07808	3.2
143.08524	19.3
144.09296	3.4
145.10094	49.5
147.11653	32.5
149.13214	15.4
155.08493	3.3
156.09314	4.5
157.10074	28.3
159.11681	29.2
161.13176	17.3
163.07472	20.2
169.10095	21.4
171.11595	30.9
173.13243	20.4
175.14803	5.8
177.16263	3.8
181.10075	6.1
183.11684	7.0
185.13211	14.8
187.14746	21.5
189.16342	50.9
191.17900	14.7
195.11569	3.8
197.13252	15.1
199.14758	29.1
201.16281	25.3
203.17929	6.1
209.13255	7.1
211.14763	7.5
212.15619	3.1
213.16348	13.3
217.12303	4.3
223.14732	6.1
225.16393	4.3
227.17758	3.6
239.17909	16.7
242.78735	3.5
245.15178	13.6
251.17903	4.0
257.15280	12.8
285.18408	6.2
297.18420	5.1
389.31992	5.8
435.27301	4.7
435.32526	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	435.3248
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05496	18.8
57.04354	1.4
57.07039	2.6
63.55996	1.4
67.05486	27.1
69.07047	22.8
72.04498	10.2
79.05460	17.2
81.07027	37.6
83.08590	8.7
91.05429	21.9
92.09335	3.6
93.07017	32.3
95.04937	3.0
95.08580	51.7
97.10121	2.7
105.07005	40.8
107.08558	53.8
109.06520	2.1
109.10120	40.8
109.10789	2.7
117.06987	6.2
119.08543	76.0
119.09397	2.7
121.10098	30.0
123.08010	2.1
123.11670	8.6
129.06918	3.1
131.08519	22.3
133.10083	34.4
135.11676	10.6
142.07751	3.4
143.08519	12.9
144.09338	2.7
145.10088	43.3
147.11650	25.4
149.13240	14.5
151.07581	2.0
155.08514	8.0
156.09299	2.6
157.10098	22.6
159.11649	30.9
161.13174	17.6
163.07533	2.4
163.14752	3.3
167.08505	1.5
169.10129	12.9
170.10843	3.2
171.11639	17.8
173.13231	21.7
175.14769	12.3
177.16396	2.9
183.11690	12.8
185.13202	13.3
187.14780	19.1
189.16315	14.6
195.11681	7.0
197.13225	8.9
199.14726	23.0
201.16350	26.3
203.17924	8.9
205.16066	1.9
207.11719	2.0
209.13278	3.6
211.14786	8.6
213.16277	15.9
215.17935	4.1
219.13857	2.4
223.14833	3.4
225.16354	11.0
227.17960	8.4
229.19444	3.9
235.14862	2.0
237.16304	4.1
239.17912	3.2
241.19391	3.5
245.15318	2.1
251.17781	6.2
253.19441	3.2
255.20906	2.7
263.17868	1.7
265.19272	3.0
267.21072	3.9
279.20929	4.0
281.22672	2.7
283.24292	3.6
285.18454	2.3
293.22650	2.8
297.18405	2.0
319.24298	2.3
323.19928	2.0
325.21649	2.9
333.25705	2.4
389.31845	25.0
391.33572	1.9
407.32568	2.3
435.32449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35300	1.6
55.01874	1.7
55.05492	4.7
57.07055	7.6
62.41919	1.9
65.05185	2.0
67.05488	10.4
69.03419	2.0
69.07031	2.4
71.04984	2.8
75.33304	1.7
79.05463	10.1
81.07018	15.0
83.04977	1.8
90.60384	1.8
91.05442	15.9
92.08684	1.9
93.07022	21.2
95.04948	8.9
95.08565	11.5
97.06478	2.3
105.07018	24.7
107.08538	13.3
109.05739	3.4
109.06488	100.0
109.07208	4.0
109.10104	2.4
111.08082	2.0
115.07629	1.7
117.06963	7.1
119.08538	19.3
121.06460	3.3
121.10130	10.4
123.08038	18.6
129.06998	3.8
131.08536	16.1
133.06499	2.8
133.10091	10.5
135.08018	8.3
135.11638	3.1
142.07774	7.8
143.08531	12.3
145.10056	16.3
147.08032	3.6
149.09605	2.2
151.07466	16.8
155.08536	3.7
156.09372	2.9
157.10089	18.6
159.11673	2.3
163.11159	2.7
165.06963	2.1
165.09052	3.1
167.08545	3.2
169.10066	11.0
170.10789	1.9
171.11684	4.0
173.13162	2.3
181.10027	3.0
182.10860	3.3
183.11656	8.4
193.10123	2.2
195.11646	3.8
197.13272	9.2
207.13725	2.8
211.14792	2.3
221.15247	4.2
285.18466	1.9
312.20978	2.5
329.62494	2.3
417.27271	2.4
435.28860	27.8
435.79623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48823	0.6
55.05492	12.7
57.07047	2.8
58.42595	0.6
58.57983	0.6
64.03407	0.6
64.53952	0.6
67.05485	10.3
69.07043	20.1
71.08602	1.0
76.55004	0.8
79.05082	0.8
79.05450	6.3
81.07020	18.4
83.04990	0.9
83.08591	12.4
83.09055	1.0
91.05441	12.8
93.07005	10.5
95.08572	19.2
97.06503	3.0
97.10141	7.8
99.08067	1.2
105.06987	8.0
107.08562	11.2
108.08876	0.9
109.10135	7.4
111.11705	4.4
119.04905	25.0
119.05734	1.3
119.08541	12.5
120.08900	1.1
121.10093	9.0
123.11680	4.9
125.89409	0.7
131.08522	1.4
133.10107	7.2
135.08034	0.9
135.11644	7.7
137.09612	0.8
137.13232	1.2
139.11176	0.7
143.08563	0.9
145.10150	5.9
145.11293	0.6
147.04366	100.0
147.11642	5.3
149.13249	3.4
151.11147	2.6
154.57387	0.7
157.10091	1.5
159.11667	4.5
161.13167	5.8
163.14821	0.8
165.05415	10.2
173.13176	1.1
175.14780	3.5
179.14258	0.8
183.11711	1.1
189.16336	1.4
199.14818	1.0
201.16386	3.0
203.17950	0.9
210.47899	0.8
211.14793	1.0
213.16319	0.9
217.19356	7.3
235.20512	9.5
253.21521	7.4
261.23395	0.7
435.32706	7.4
453.50632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2732
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.14725	2.1
55.05490	28.3
57.07043	3.5
65.36001	1.8
67.05483	24.0
69.07037	32.6
79.05450	12.1
81.07011	30.7
83.04948	2.0
83.08592	19.3
91.05437	23.9
93.06991	21.9
95.08559	44.8
97.06474	3.2
97.10128	14.6
99.90485	1.9
105.07001	26.2
107.08557	25.5
107.77466	2.1
109.10114	15.4
111.11646	3.7
111.84989	1.9
113.01675	2.3
117.06946	4.2
119.04900	33.5
119.08538	38.9
121.10100	21.8
123.11677	7.7
131.08530	13.3
133.10056	27.7
135.11624	15.8
137.13210	4.0
143.08556	5.2
145.10046	19.4
147.04366	100.0
147.11658	14.9
149.13260	2.7
151.11113	2.6
153.12648	2.6
157.10046	8.9
159.11612	21.4
161.13162	12.4
165.05406	2.9
171.11668	5.0
173.13170	9.8
175.14784	8.4
183.11548	2.5
185.13213	3.6
187.14757	8.8
189.16359	8.7
199.14842	9.1
201.16325	16.5
213.16301	4.0
215.17758	7.3
217.19467	4.3
225.16388	2.8
235.20512	12.0
253.21446	7.8
259.17221	2.4
385.71713	2.4
389.31805	4.2
435.32434	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	435.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.7
53.03919	1.6
55.01858	3.2
55.05499	30.6
57.03421	6.6
57.07056	1.8
57.25737	1.3
58.10973	1.2
59.04993	2.2
67.05501	10.3
67.38325	1.3
69.03403	24.0
69.07040	10.3
71.04968	48.7
73.02888	2.7
78.84351	1.2
78.84843	1.3
79.05460	10.2
81.03396	6.2
81.07024	51.4
83.04941	19.4
83.08588	3.0
83.70808	1.1
85.02875	20.3
85.06515	3.1
87.00787	3.0
87.04442	1.7
91.05437	13.2
91.71180	1.3
93.07016	44.8
95.04953	12.4
95.08562	19.5
96.08866	1.4
97.02871	5.9
97.06494	10.6
97.10127	2.3
99.04459	2.0
99.08043	7.0
105.01807	5.5
105.06995	34.0
107.08556	37.4
108.96658	1.4
109.02820	4.2
109.06498	18.8
109.10117	28.7
110.10439	2.6
111.08054	9.5
117.06974	6.8
119.08566	11.6
121.10107	32.1
123.08041	8.0
123.11677	15.9
125.09604	7.5
127.03890	6.5
127.07524	2.7
127.11147	36.5
130.07768	1.6
131.08517	11.8
133.09076	2.4
133.10094	66.4
135.11656	16.8
137.09595	1.5
139.11156	12.6
143.10654	7.9
145.10085	27.4
145.33673	1.4
146.10440	1.7
147.11652	8.4
149.09587	1.4
149.13203	2.9
151.11140	50.0
153.12698	3.1
155.10585	14.7
159.11681	13.3
161.13188	3.2
163.11104	2.7
167.07013	1.8
169.09999	1.4
169.12164	2.1
187.07477	1.7
197.09677	2.4
201.09018	16.8
201.16331	12.1
217.42166	1.3
219.17387	14.8
225.08998	3.2
226.00897	1.5
237.18407	100.0
238.18822	1.6
243.10124	7.3
255.06311	3.2
255.19472	5.3
257.04291	1.8
273.20596	1.4
299.05392	2.8
301.06012	1.5
303.04773	14.1
326.00775	1.4
331.07068	5.6
355.06952	1.7
381.08636	1.4
399.09845	2.3
436.85773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	1.4
53.03940	2.1
55.05490	21.2
55.21817	1.3
56.18925	1.2
57.03411	7.4
57.07069	1.5
57.10520	1.4
57.13357	1.3
58.55629	1.1
59.04959	2.3
59.57533	1.1
63.93221	1.3
67.05475	12.6
69.03406	24.7
69.07040	9.9
71.04964	57.1
73.02894	8.4
75.80891	1.5
79.05466	10.1
81.07027	52.4
83.04949	12.3
83.08580	3.0
85.02894	10.5
85.06528	3.2
91.05460	14.6
93.07010	31.1
95.04914	5.8
95.08559	16.3
97.02865	2.1
97.06497	1.8
97.10095	2.1
99.08067	9.9
105.06997	41.5
105.39980	1.6
107.08558	35.2
109.06466	17.7
109.10148	18.1
111.08069	3.6
117.06911	2.8
118.24958	1.3
119.07856	1.5
119.08540	13.3
121.10107	23.8
123.08051	8.0
123.11662	15.1
125.09574	10.0
127.07545	2.3
127.11160	49.4
131.08559	13.2
133.10094	95.5
135.11656	14.6
137.02290	1.7
137.09671	1.8
139.11136	6.2
143.10637	10.6
145.10063	26.1
147.11600	11.5
149.13208	2.0
151.11131	61.2
153.01794	1.8
153.12721	6.9
155.10620	20.7
159.11592	10.6
161.13179	3.1
169.12169	1.7
177.12622	2.5
201.16325	16.1
219.17378	18.9
229.04878	6.5
237.18413	100.0
255.19559	1.9
303.04889	58.7
304.05048	2.2
455.83279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.7
53.03919	1.6
55.01858	3.2
55.05499	30.6
57.03421	6.6
57.07056	1.8
57.25737	1.3
58.10973	1.2
59.04993	2.2
67.05501	10.3
67.38325	1.3
69.03403	24.0
69.07040	10.3
71.04968	48.7
73.02888	2.7
78.84351	1.2
78.84843	1.3
79.05460	10.2
81.03396	6.2
81.07024	51.4
83.04941	19.4
83.08588	3.0
83.70808	1.1
85.02875	20.3
85.06515	3.1
87.00787	3.0
87.04442	1.7
91.05437	13.2
91.71180	1.3
93.07016	44.8
95.04953	12.4
95.08562	19.5
96.08866	1.4
97.02871	5.9
97.06494	10.6
97.10127	2.3
99.04459	2.0
99.08043	7.0
105.01807	5.5
105.06995	34.0
107.08556	37.4
108.96658	1.4
109.02820	4.2
109.06498	18.8
109.10117	28.7
110.10439	2.6
111.08054	9.5
117.06974	6.8
119.08566	11.6
121.10107	32.1
123.08041	8.0
123.11677	15.9
125.09604	7.5
127.03890	6.5
127.07524	2.7
127.11147	36.5
130.07768	1.6
131.08517	11.8
133.09076	2.4
133.10094	66.4
135.11656	16.8
137.09595	1.5
139.11156	12.6
143.10654	7.9
145.10085	27.4
145.33673	1.4
146.10440	1.7
147.11652	8.4
149.09587	1.4
149.13203	2.9
151.11140	50.0
153.12698	3.1
155.10585	14.7
159.11681	13.3
161.13188	3.2
163.11104	2.7
167.07013	1.8
169.09999	1.4
169.12164	2.1
187.07477	1.7
197.09677	2.4
201.09018	16.8
201.16331	12.1
217.42166	1.3
219.17387	14.8
225.08998	3.2
226.00897	1.5
237.18407	100.0
238.18822	1.6
243.10124	7.3
255.06311	3.2
255.19472	5.3
257.04291	1.8
273.20596	1.4
299.05392	2.8
301.06012	1.5
303.04773	14.1
326.00775	1.4
331.07068	5.6
355.06952	1.7
381.08636	1.4
399.09845	2.3
436.85773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.6
53.03918	3.5
54.81576	0.6
55.01848	3.5
55.05497	15.6
55.48098	0.7
57.03411	4.8
57.07050	2.8
57.43000	0.6
59.04967	1.0
61.02903	3.4
65.03907	1.2
67.01846	0.8
67.05480	14.8
68.05793	1.0
68.99764	1.7
69.03402	16.1
69.07040	10.4
70.06554	1.7
70.07360	1.0
71.04965	21.9
72.05299	1.1
73.06525	1.4
75.04411	0.9
79.05463	13.9
80.05798	1.0
80.52304	0.7
81.03394	10.6
81.07024	39.1
81.32556	0.6
82.07350	3.9
83.04959	2.8
83.08586	5.6
85.02873	30.4
85.06512	6.2
86.03220	1.3
91.05450	18.9
92.05770	1.5
93.03369	1.5
93.07011	23.9
94.07343	3.8
95.04921	6.3
95.08571	21.8
96.08900	3.1
97.02853	13.7
97.06493	8.3
97.10136	5.6
97.46661	0.8
99.04420	3.2
99.08064	9.9
103.05424	8.8
105.03333	0.9
105.06993	32.7
105.07680	1.5
106.04148	9.8
106.07323	6.8
107.04922	6.6
107.08558	16.7
108.08881	1.7
109.02866	6.7
109.06454	2.6
109.10126	15.3
110.10468	1.7
111.04401	1.6
111.08035	2.9
113.09612	1.2
115.03901	1.3
115.05414	1.0
115.07566	0.8
117.03310	1.1
117.06979	9.1
119.04903	18.4
119.08530	12.4
120.08882	1.8
121.06446	9.2
121.10104	10.1
122.10426	2.9
123.04385	57.6
123.08050	1.5
123.11671	6.0
124.11964	1.2
125.05957	2.9
125.09589	13.0
126.09901	1.7
127.03868	8.3
127.07521	3.2
127.11141	3.3
128.06189	1.1
129.06969	11.8
131.04869	17.2
131.08531	8.9
132.08875	1.0
133.02817	1.3
133.06415	1.5
133.10081	36.3
134.03510	1.2
134.10414	10.5
135.04355	6.1
135.07939	1.0
135.11646	5.2
136.11943	1.1
137.02309	3.8
137.05878	5.4
137.09525	1.1
141.06944	2.6
143.04886	1.8
143.08542	3.9
143.10612	14.3
144.10992	1.5
145.02824	1.1
145.04935	2.8
145.06441	20.8
145.10075	9.3
146.10388	2.9
147.04361	53.0
147.07976	2.9
147.11644	8.2
148.11961	3.0
149.05934	37.8
149.09578	0.8
149.13214	4.8
150.13593	1.5
151.03804	1.0
151.07466	0.9
151.11131	4.5
153.01775	100.0
153.09053	3.7
153.12671	1.0
154.02115	1.1
157.06427	17.2
157.10013	1.0
159.04390	0.9
159.07974	5.0
159.11646	5.4
160.05113	3.7
160.11993	3.0
161.05920	13.7
161.13190	4.0
163.03822	10.2
163.07481	49.1
163.11119	1.5
165.01884	0.8
165.05418	1.2
165.06876	0.9
165.12819	0.9
167.06979	7.0
167.08369	1.4
167.14247	7.9
168.14635	3.3
171.02855	3.6
171.06613	1.4
171.08022	3.9
173.05911	4.4
173.13216	1.0
174.06773	1.1
175.07478	42.6
176.08264	1.0
177.05409	4.9
177.09000	8.3
179.03278	0.7
180.07770	1.1
181.04918	12.2
181.06410	1.3
181.08444	6.3
183.08051	1.0
185.09546	3.2
187.03864	3.8
187.07466	9.0
189.05379	3.3
189.09077	9.1
191.03268	2.2
191.06981	2.6
191.17770	0.8
195.08020	2.6
197.09561	1.4
199.07541	3.2
199.11024	0.8
201.09030	7.8
201.16318	5.3
202.16693	3.5
203.03311	3.0
203.10681	2.9
209.08028	9.5
209.09599	1.2
209.13281	0.8
211.07602	0.8
213.09065	4.8
215.06844	1.0
215.10600	4.9
217.08591	6.4
217.12137	0.7
219.17374	19.9
220.17712	11.9
227.10565	1.5
227.14203	1.3
231.10103	1.1
233.07912	2.9
236.23694	6.2
237.18414	7.5
237.23918	1.7
238.18750	3.0
239.10570	0.9
245.15300	3.8
254.24686	2.9
255.06447	1.2
255.13641	11.8
255.15900	1.1
255.19495	1.2
255.24805	0.9
271.05850	1.6
271.13351	1.7
272.25687	7.7
273.07462	74.3
273.14651	16.1
273.25943	6.1
283.05872	0.9
291.15811	4.8
297.07492	1.7
297.14734	1.2
298.18552	0.8
307.05643	1.1
310.04453	1.0
313.06998	1.2
325.06967	15.0
399.17950	8.7
417.19489	6.9
434.30798	6.0
435.10501	4.5
435.20029	14.3
435.31210	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	435.1825
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
51.31498	0.4
55.01821	0.4
55.05490	0.5
61.86174	0.4
66.86698	0.4
67.05486	0.6
69.03404	0.6
70.06586	0.8
70.91127	0.4
71.04973	1.8
81.07014	2.1
84.63210	0.5
84.68668	0.4
85.02860	2.1
88.66663	0.5
91.05431	0.7
92.08741	1.0
95.08574	0.7
96.19851	0.5
105.07020	1.9
107.08552	0.9
109.10154	0.6
111.08049	0.6
119.08530	0.7
133.10120	0.7
147.04410	0.9
151.11142	1.9
159.11671	0.8
181.04793	0.6
190.18930	0.5
197.12804	0.6
219.17453	0.7
237.18396	0.9
271.06396	0.5
303.14145	6.8
317.38232	0.5
343.38562	0.4
358.99756	0.5
435.18185	100.0
436.18793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0912
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03907	0.2
55.05478	1.0
57.03417	1.8
57.07047	0.3
59.04968	1.3
61.02905	3.0
67.05471	1.1
68.99751	0.6
69.03391	3.1
69.07063	0.4
70.53886	0.2
71.01336	0.5
71.04964	3.0
73.02885	19.4
79.05450	0.5
81.03362	1.0
81.07014	4.6
83.04939	0.5
85.02886	2.7
87.00793	1.2
87.04426	0.5
91.05416	1.4
93.03307	0.4
93.07008	6.2
95.04917	1.5
95.08567	0.5
97.02876	1.0
98.92810	0.2
99.04397	0.2
102.99580	0.2
105.01792	0.3
105.07005	2.6
107.08578	2.0
109.02843	1.0
109.06481	1.3
109.10107	1.4
111.00753	1.4
111.08039	2.3
115.03896	0.5
117.07040	0.3
119.08562	0.5
121.02842	2.1
121.10094	1.9
123.04382	0.4
123.08022	0.3
123.11672	1.2
125.09612	0.3
127.03869	1.2
127.11155	2.8
131.08496	0.4
133.10085	4.0
137.02290	5.1
145.10074	1.5
149.02332	0.5
151.11115	4.4
153.01782	6.2
155.10567	0.8
157.06413	0.3
161.05919	0.4
163.03862	1.0
165.01791	3.3
169.12178	1.7
173.05850	0.4
181.06413	0.4
183.02838	1.3
187.03789	0.4
187.13295	0.3
191.03362	0.4
194.65614	0.3
195.02872	0.4
199.07478	0.3
201.05396	2.9
201.16359	0.4
219.06503	0.4
219.17468	0.9
227.07022	0.9
229.04895	7.1
237.18431	4.4
247.05936	1.3
255.06450	4.2
257.04343	4.5
273.07492	1.1
274.04730	0.8
285.03748	2.4
303.04877	100.0
304.05331	1.0
435.12427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1274
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.05487	2.3
57.03403	0.5
57.07030	0.3
58.51856	0.3
59.04951	0.4
61.02888	0.6
67.01820	2.0
67.05479	2.6
68.99743	1.2
69.03405	3.6
69.07035	2.4
71.04623	0.3
71.04962	6.0
71.19340	0.3
72.05283	0.3
72.80222	0.3
79.05459	2.4
80.56708	0.3
81.03362	0.8
81.07021	12.1
82.07327	0.8
83.04940	0.7
83.08569	0.4
85.02867	4.1
85.06487	0.6
87.88562	0.3
91.05431	6.0
91.39771	0.3
93.07005	10.8
94.07339	0.7
95.04897	2.0
95.08559	4.4
96.08861	0.5
97.02846	1.7
97.06512	1.1
97.95284	0.3
99.08050	1.2
103.05395	0.3
105.06994	8.2
106.07294	0.5
107.04899	2.4
107.08552	5.5
108.08836	0.5
109.06477	2.3
109.10095	4.6
110.10386	0.3
111.07975	0.6
115.07489	0.4
117.07004	0.6
118.07314	0.3
119.04036	0.7
119.04888	13.4
119.08533	4.8
120.08886	0.7
121.02820	0.4
121.06432	0.5
121.10081	4.1
123.04387	3.3
123.08004	0.6
123.11642	4.5
124.11897	0.3
125.09538	1.8
127.03870	0.6
127.11128	3.8
129.82428	0.3
130.07794	0.4
131.08475	1.6
131.62340	0.3
133.10078	11.6
134.10425	1.7
135.11635	1.4
137.09557	1.9
139.11140	0.6
143.10616	0.7
145.10071	3.3
146.10387	0.5
147.04359	48.6
147.11609	2.4
149.13206	0.4
151.03850	0.6
151.11110	6.6
151.12218	0.5
152.11407	0.3
153.01772	100.0
155.10593	1.5
159.11650	2.7
160.11963	0.4
161.13155	0.7
167.07050	0.3
171.02821	3.9
173.13179	1.3
175.14792	0.4
177.12642	0.4
179.03293	1.2
181.04913	0.4
189.05389	1.7
191.17964	0.4
195.02826	0.6
201.16295	2.6
202.16620	1.3
203.06844	0.3
213.05428	0.6
219.17368	6.2
220.17685	1.5
231.06447	11.7
235.16438	0.3
237.18370	10.1
255.06366	0.4
271.05814	2.9
272.06253	3.7
273.07471	96.8
274.07816	0.7
349.44247	0.4
365.71063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29755	2.0
55.05487	2.5
57.58292	2.2
67.05459	2.6
77.40574	1.8
78.69000	1.8
84.66688	1.8
85.03172	1.9
87.05541	2.2
95.08557	4.5
99.99662	2.1
107.04913	11.8
109.54267	1.9
109.77777	2.0
121.06465	3.1
122.07240	27.9
123.08041	10.0
127.03893	7.9
135.08005	9.8
150.06715	67.7
151.07504	100.0
152.08257	2.9
163.07446	3.5
163.11086	2.4
164.08241	2.2
164.19347	2.1
177.09094	2.2
191.10580	26.1
416.36349	78.6
435.47635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05487	2.3
57.03148	0.5
57.03419	9.9
61.02903	2.3
65.03899	0.4
67.05477	1.1
68.99757	1.1
69.03400	0.5
69.07043	0.5
71.04971	1.9
71.13198	0.2
73.02888	18.2
79.05484	0.3
81.07024	2.7
83.04954	1.3
83.08559	0.3
85.02875	0.9
85.18803	0.2
86.09668	0.3
91.05441	1.0
92.08659	0.3
93.03355	0.5
93.06998	2.6
95.04917	1.2
95.08554	1.3
97.02863	0.3
97.06453	0.3
105.06968	2.2
107.08592	1.9
109.02815	0.5
109.06438	0.3
109.10123	1.1
111.00736	1.8
115.03880	0.6
119.08530	1.0
121.02839	2.0
121.10101	2.2
123.04381	0.3
123.11718	0.4
126.28489	0.2
127.03907	0.4
130.07822	0.3
131.08516	0.6
133.10094	5.4
134.34048	0.3
135.11644	1.2
137.02303	5.9
145.10046	1.3
147.11650	0.5
148.76291	0.2
149.02264	0.5
149.13251	0.3
151.11122	1.3
153.01772	7.2
153.12711	0.4
159.11632	0.6
161.05908	0.3
163.03851	1.0
163.11162	0.4
165.01790	3.1
166.02592	0.5
173.05865	0.5
183.02856	2.4
183.04218	0.4
187.03828	0.3
191.06982	0.2
201.05383	2.2
201.16333	1.6
202.82631	0.3
205.04884	0.3
219.06433	0.4
219.17404	1.3
228.04073	0.3
229.04897	7.6
231.02588	0.3
237.18434	4.0
239.03362	0.3
247.05914	1.1
257.04373	3.8
274.04623	1.2
276.12457	0.3
285.03751	1.9
303.04886	100.0
304.05286	1.6
309.61520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67138	1.3
52.66844	1.5
53.03923	3.7
54.80923	1.8
55.01843	3.3
55.05494	21.2
57.03406	3.3
57.07057	3.6
59.04967	3.2
59.38056	1.7
61.02883	2.2
67.05488	26.2
68.60030	1.6
69.03400	23.5
69.07034	16.0
69.41257	1.7
70.03719	1.9
71.04964	36.4
73.02881	2.2
79.05476	19.6
81.03370	2.5
81.07024	71.8
81.23757	2.3
83.04977	1.8
83.08579	10.6
85.02872	31.0
85.06507	3.1
87.04469	3.0
91.05450	25.8
93.07006	84.4
95.04900	4.4
95.08571	77.7
97.02843	10.1
97.06478	24.9
99.04408	1.9
99.08030	4.6
101.57145	2.0
105.06290	3.4
105.06992	74.8
107.08557	63.3
109.06456	8.6
109.10134	33.0
111.08018	3.0
111.26865	1.9
117.06942	3.9
119.08537	48.9
119.19834	2.0
121.10097	27.8
123.07993	9.1
123.11656	23.4
125.09566	18.1
127.03934	3.1
127.11159	3.5
130.07668	2.3
131.08556	17.1
133.10085	100.0
135.11642	14.5
137.09550	10.5
139.80379	1.9
143.10628	20.2
144.09277	2.4
145.04922	3.5
145.10074	34.5
147.11632	31.4
149.09584	2.4
149.13220	31.7
151.11118	21.0
157.10091	3.0
159.11647	35.6
161.13202	11.9
163.11168	3.3
167.14252	26.4
173.13187	10.5
175.14752	3.9
175.80577	2.0
177.12639	2.5
181.04816	2.4
191.14259	2.9
191.17888	4.3
201.16309	30.2
219.17340	75.0
237.18336	17.5
300.05679	8.5
326.07288	4.3
330.06665	4.3
344.08215	2.4
352.08932	3.6
354.06851	7.8
380.08347	3.3
398.09213	16.8
416.10361	3.8
434.11441	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	434.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93052	1.4
53.03933	1.9
55.01872	1.8
55.05495	13.5
57.03411	9.2
57.07067	2.5
59.54425	1.3
60.35347	1.4
61.02899	3.6
62.37305	1.3
67.05482	21.4
68.02936	1.6
69.03401	22.4
69.07040	12.2
71.04974	7.5
73.02888	9.0
79.05455	21.2
79.37501	1.7
81.03371	4.2
81.07026	84.1
83.04964	3.3
83.08564	11.7
83.38201	1.5
85.02879	44.1
85.06530	6.5
87.04427	6.0
91.05451	16.0
93.07000	35.1
94.51617	1.6
95.04920	3.6
95.08569	44.6
97.02859	18.1
97.06500	7.4
97.10129	6.4
98.97544	1.8
101.80962	1.6
105.06995	40.4
105.10773	1.6
107.05004	1.9
107.08553	36.6
109.02856	2.3
109.06478	7.8
109.10122	100.0
109.83459	1.6
111.08051	10.3
115.03851	3.3
117.06973	9.3
119.08535	35.0
121.06454	2.8
121.10098	49.5
123.08079	2.5
123.11674	11.0
125.09603	9.9
127.03874	7.0
127.11165	3.7
131.08530	16.0
133.04897	3.0
133.10075	38.0
135.11633	21.4
136.60539	1.7
137.09589	4.1
145.10066	42.1
147.11636	15.6
149.09631	3.1
149.13231	4.0
151.11147	23.5
159.11635	35.5
161.13188	15.8
163.11136	3.8
163.14717	2.5
173.13190	12.7
175.14731	11.5
177.16322	3.0
191.10687	1.7
191.17896	10.1
193.15816	11.0
201.16331	49.9
203.17792	2.0
208.12639	1.6
219.17375	59.9
235.48970	1.7
237.14844	2.2
237.18401	20.6
242.08780	6.9
284.06445	2.4
299.05365	1.9
300.05789	8.9
303.04910	3.6
312.05899	2.3
314.07260	6.4
329.06699	1.9
330.06860	6.5
337.06625	2.0
338.06976	2.0
344.08173	2.0
352.08856	2.0
354.06589	2.3
380.08447	3.8
398.09418	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	434.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05493	21.4
56.42238	1.8
57.03418	3.0
57.07056	9.7
59.04980	8.3
61.02904	2.4
67.05492	16.1
69.03404	12.5
69.07051	15.2
71.04965	24.9
73.06516	2.2
79.05458	24.1
80.42013	2.0
81.07025	70.0
83.08599	4.9
85.02878	26.6
85.06514	12.3
91.05428	16.5
93.07004	63.2
95.04943	9.4
95.08559	34.3
96.08936	2.4
96.75037	2.0
97.02844	9.9
97.06501	30.7
97.10137	8.9
99.08050	2.7
105.06994	59.3
107.04794	2.3
107.08556	56.8
107.09227	3.5
109.02802	2.5
109.06491	9.6
109.10126	32.2
111.08022	4.3
117.06985	3.2
119.08540	47.7
121.10097	100.0
123.08021	4.1
123.11648	11.6
125.09589	22.2
125.66760	2.3
127.03883	3.3
127.11143	11.4
130.07753	2.5
131.08521	13.5
133.10083	34.6
135.11649	30.2
139.11154	3.1
141.05380	5.1
143.08553	2.7
143.10626	38.0
145.10098	40.5
147.11674	24.6
149.13220	11.1
150.92210	2.2
151.11177	8.0
157.10121	2.8
159.11633	18.6
161.13197	16.3
165.12695	9.6
167.07001	3.3
173.09598	2.2
173.13268	3.7
175.14844	2.5
177.12569	2.6
191.14061	2.3
191.17911	8.3
200.78947	2.5
201.16289	25.7
219.17368	48.4
225.22469	2.4
237.14775	11.7
237.18382	26.9
448.39194	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44496	2.0
53.00285	2.4
53.63611	2.1
55.05480	13.1
56.54805	2.0
57.03397	4.1
57.07059	3.9
58.13377	3.0
58.90839	2.2
61.31080	2.3
67.05480	21.2
69.03393	5.0
69.07030	12.7
71.04966	34.5
79.05450	6.3
80.07634	2.3
81.07022	97.7
83.08587	4.7
85.02879	27.9
85.06503	3.2
91.05451	19.7
92.53699	3.0
93.07002	97.1
95.04897	4.7
95.08559	42.0
97.02849	4.5
97.06483	21.1
99.08015	3.9
103.04651	2.6
105.06993	62.4
107.08551	39.5
109.06459	5.3
109.10144	32.2
117.06894	2.8
119.08529	55.8
121.10104	21.8
123.08013	14.5
123.11655	39.6
125.09565	12.4
127.11145	12.9
131.08487	13.9
133.10075	97.8
135.11633	16.5
137.07939	2.9
137.09569	24.4
145.10054	24.6
147.11639	19.8
149.13164	5.3
151.11092	25.6
155.10612	5.7
159.11635	26.4
161.13203	6.1
163.11156	5.6
173.13234	6.6
175.14685	3.4
189.11322	3.0
191.17891	5.1
201.16240	21.0
208.15152	2.4
219.17361	100.0
220.17567	3.5
237.18365	32.6
239.67714	2.4
246.20166	2.6
271.94431	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	434.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
56.96538	0.6
57.03424	0.1
85.02881	0.7
89.03891	0.3
91.05452	2.1
93.07009	4.1
95.04912	0.9
97.02860	0.3
98.97554	1.2
99.08051	0.6
103.05434	2.8
111.04426	0.2
116.98589	0.6
121.06464	100.0
122.06799	1.0
135.04337	1.2
138.09102	16.5
149.01176	0.2
158.99637	0.2
163.03856	3.0
167.40108	0.1
177.00647	0.3
189.00598	0.2
219.01622	0.2
237.02725	0.3
239.25941	0.1
302.12274	0.2
385.07648	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	434.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20300	1.2
55.05496	15.4
57.03420	1.8
57.07051	2.3
59.04983	1.5
59.86689	1.4
67.05491	11.8
69.03403	3.3
69.07039	12.0
69.96745	1.6
71.04968	41.4
73.06531	3.9
79.05478	16.9
81.07027	39.5
83.04946	2.3
83.08595	8.1
85.02869	10.2
85.06513	2.1
91.05442	19.4
93.07008	30.6
95.04915	1.9
95.08575	40.5
97.06500	3.2
97.10134	2.6
99.08062	10.9
100.40314	1.8
103.21349	1.6
105.07011	53.5
107.08568	32.7
109.06499	2.3
109.10154	18.4
114.66084	1.6
119.08549	18.1
121.10108	21.2
123.11656	3.8
125.09600	23.6
127.07508	2.5
127.11166	2.0
128.39821	1.9
131.08519	9.8
133.09074	3.3
133.10094	100.0
135.11664	1.8
143.10658	29.2
145.10043	11.7
147.11641	16.4
149.13231	24.9
151.11166	5.8
159.11633	10.2
161.13193	3.1
167.14261	45.1
169.12144	2.4
201.16281	6.4
219.17361	53.7
225.42343	2.3
237.18451	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	434.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92992	0.7
54.80592	0.9
55.01850	5.4
55.05486	1.1
57.03423	10.8
59.04973	1.4
61.02911	6.6
61.03815	0.9
69.03404	25.3
70.06550	6.9
71.01318	1.9
71.04952	5.6
73.02885	33.6
73.25259	0.9
79.05457	4.5
81.03374	3.6
85.02374	1.9
85.02877	48.1
85.03387	1.6
87.04434	10.9
91.05453	4.9
93.06976	1.0
95.04916	1.4
97.02856	30.1
103.05431	1.2
105.06998	100.0
107.08530	1.2
109.02837	3.8
115.03883	16.1
116.07051	9.9
117.07041	0.9
119.08542	5.7
127.03886	9.8
129.05486	1.5
129.06975	3.5
133.04930	15.0
145.04938	10.0
145.06065	1.0
145.06409	0.9
145.10046	1.1
146.61786	1.1
147.08025	4.7
150.07588	1.7
155.08459	1.3
159.08015	1.6
163.05960	5.9
173.09503	1.0
189.09064	1.1
201.09015	1.5
219.10086	1.1
239.72339	0.8
241.06920	1.2
259.08102	1.6
350.83875	1.0
363.60425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14876	0.9
53.03925	1.6
53.79704	0.9
54.81144	1.0
55.01848	2.3
57.03419	35.2
59.04965	1.3
61.02899	13.9
63.91626	0.9
64.63044	0.9
69.03405	39.1
71.01328	1.7
71.04991	1.5
73.02883	55.1
73.39072	0.9
81.03395	5.4
85.02875	100.0
87.04423	12.1
91.03929	2.0
97.02849	55.3
99.04424	4.0
104.05164	1.0
105.06983	13.4
109.02831	7.2
115.03897	30.1
119.08497	1.1
121.10105	1.1
127.03860	19.9
133.04907	11.6
145.04916	24.2
147.07951	1.4
150.07607	2.4
163.05957	12.2
223.06029	2.2
241.07036	2.1
259.07983	1.8
284.06439	1.0
285.13138	6.9
295.10077	2.4
338.03458	1.1
424.99768	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.1
52.43156	0.1
53.03918	0.3
55.01854	0.1
56.96544	0.3
57.03400	0.1
58.58261	0.1
59.98974	0.1
64.32669	0.1
64.66652	0.1
69.03392	0.3
73.02912	0.1
74.38235	0.1
75.85454	0.1
81.03368	0.1
85.02863	0.4
86.62634	0.1
91.05449	2.2
93.07006	4.9
95.04927	1.1
97.02854	0.3
98.97542	0.5
99.04434	0.1
103.05428	2.7
105.04471	0.2
109.98661	0.1
111.04465	0.1
116.57884	0.1
116.98567	0.3
119.01806	0.1
121.06459	100.0
121.20766	0.1
122.06787	0.7
123.07039	0.1
135.04639	0.1
138.09093	15.9
139.09418	0.1
145.02798	0.1
147.04370	0.1
163.03859	0.3
172.95193	0.2
177.00574	0.1
182.03384	0.1
189.00699	0.1
219.01662	0.1
237.02705	0.5
246.03712	0.1
306.88882	0.1
333.01721	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	434.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34122	0.6
51.76107	0.6
53.03928	1.1
54.81256	0.7
55.01842	1.7
55.93729	0.7
56.57466	0.6
57.03162	1.1
57.03420	20.1
58.61495	0.7
59.04970	1.2
61.02901	9.1
64.32755	0.8
69.03404	22.7
71.01339	1.7
71.04945	1.1
71.70265	0.9
73.02886	47.3
79.05437	1.5
81.03375	1.9
81.07001	0.8
85.02876	47.4
87.04449	6.7
87.67504	0.7
93.06990	1.8
97.02850	35.8
99.04404	2.0
100.65907	0.8
105.06995	100.0
107.08552	1.9
109.02828	5.0
115.03171	1.1
115.03899	18.6
117.06976	1.3
119.08545	7.3
121.10077	1.2
127.03872	11.8
131.08572	2.0
133.04907	5.2
133.10095	1.0
139.71564	0.9
143.08533	3.1
145.04903	11.8
145.10048	4.4
146.15424	0.8
147.07979	1.7
150.07523	1.2
159.07985	1.5
161.04422	1.1
163.05977	6.8
201.09122	0.9
201.16295	4.0
219.10103	3.2
219.17468	0.8
223.05916	1.2
231.10123	1.2
241.06868	1.3
259.07965	1.0
285.13116	1.1
295.10043	2.8
428.93506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45768	1.0
53.03934	2.2
55.01855	1.7
55.05496	1.3
57.03155	1.7
57.03418	42.5
59.04979	9.0
61.02900	14.7
66.95003	1.0
67.00556	1.4
69.03403	74.9
69.07039	6.3
71.01321	2.4
71.04944	1.4
73.02888	56.1
75.04417	2.3
79.05441	2.5
81.03389	14.7
81.06972	1.4
83.04943	2.1
85.02874	96.8
87.04440	33.9
89.06007	1.5
91.03910	2.5
91.05433	12.2
93.07013	2.1
94.18971	1.2
95.04912	1.9
97.02856	100.0
97.06548	1.2
98.05988	1.5
99.04414	6.0
103.03882	1.8
105.03355	5.9
105.05489	2.6
105.07024	1.9
107.04906	1.3
107.06998	1.8
107.08572	2.4
109.02825	12.3
109.10181	1.4
115.03091	2.4
115.03892	60.1
115.05470	1.3
117.06951	9.6
119.08597	1.9
121.06435	1.7
123.04385	53.4
127.03870	27.5
129.06963	9.1
131.04881	1.5
131.08594	1.4
133.04907	24.3
133.06483	2.2
133.10167	1.5
136.07524	1.4
144.06516	1.7
145.04916	21.0
145.06401	9.3
149.02293	14.6
149.06021	1.4
150.07524	2.2
159.07977	1.6
162.07498	1.8
163.05994	5.1
173.05942	7.5
174.06371	1.2
191.07053	2.5
193.04961	2.2
219.06436	1.6
237.07550	6.8
237.11070	2.7
241.06979	1.7
259.08044	2.8
261.29102	1.4
277.09119	7.5
285.09515	1.7
326.14722	1.3
437.35397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65165	1.4
51.61899	1.5
55.01851	4.0
55.05516	1.6
57.03407	3.8
61.02899	4.6
67.05477	2.5
69.03410	22.6
70.03722	1.8
70.06557	2.6
71.04955	2.9
73.02885	9.8
80.04983	15.1
81.03393	11.5
85.02899	14.5
87.04445	4.0
97.02856	7.6
99.04426	12.7
103.05471	2.5
105.03325	1.9
105.07000	12.8
109.02808	2.3
113.05981	23.9
115.03894	3.5
115.05429	2.6
117.05457	8.0
117.06990	1.8
118.06521	10.7
120.04411	36.3
122.05990	12.3
127.03884	2.4
129.06966	3.2
131.04909	13.0
132.04410	100.0
133.04843	2.5
133.06450	14.4
134.06001	11.6
138.05446	4.1
144.08080	3.5
145.06421	3.3
146.05992	10.1
150.05469	55.9
154.06473	2.1
157.06419	2.6
158.05939	3.6
161.05937	23.9
163.03882	11.8
167.07051	1.9
172.07520	15.8
173.06044	3.0
181.04900	3.4
184.15479	1.8
189.05426	2.3
189.09047	3.8
190.08551	3.6
193.08569	10.3
197.08081	2.1
200.07028	12.4
201.05309	2.3
203.07095	2.2
216.04065	2.5
218.08051	30.9
219.06458	2.3
231.06502	4.0
233.08102	2.2
234.76193	2.0
236.09074	2.7
247.05836	14.8
249.07625	2.4
254.10088	11.6
259.05914	8.6
261.07471	4.1
271.05737	2.0
272.11200	96.7
272.14215	3.3
273.07535	4.1
289.07034	2.4
314.28082	2.6
319.08112	2.7
321.09702	3.0
349.09213	2.4
381.11612	9.9
399.12848	4.2
434.17093	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	433.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.0
55.79121	0.9
58.58986	0.8
64.32270	0.8
67.05487	24.5
67.64697	0.8
68.50336	0.9
69.07041	4.2
69.54337	0.9
73.57518	1.1
79.05473	6.4
81.07024	26.2
83.04924	1.2
83.08611	2.0
90.00334	1.2
91.05426	12.7
93.07001	10.6
95.04916	0.9
95.07964	1.0
95.08575	28.6
97.06483	1.7
105.06999	8.3
107.08549	8.5
109.10120	13.7
117.07009	1.4
119.04900	26.5
119.08524	11.0
121.10108	8.0
123.11666	3.7
131.08545	1.9
133.10089	11.0
135.11650	6.3
143.08543	1.7
145.10091	9.6
147.04367	100.0
147.11656	3.8
149.13203	1.1
151.11189	1.3
157.10078	1.7
159.11633	2.0
161.13249	1.3
165.05397	11.1
173.13210	1.7
175.14857	1.8
183.11678	1.2
185.13260	1.2
187.14722	7.0
215.17929	5.0
233.19006	4.3
251.19983	11.5
264.39713	1.0
343.34290	1.0
433.30807	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	433.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56708	5.7
55.05494	45.1
58.50769	6.2
59.04969	61.6
67.05478	15.3
69.07049	6.6
70.34490	6.5
76.54349	6.7
79.05444	12.3
81.07037	27.8
85.06519	100.0
85.89532	6.7
91.05447	64.6
93.07013	49.7
95.04969	10.3
95.08585	32.4
105.06990	54.2
107.02176	6.1
107.08564	26.7
108.08917	9.3
109.06507	10.1
109.10117	11.2
111.08009	20.7
114.62357	7.6
117.06982	27.6
119.08540	93.1
120.08885	8.1
120.99010	7.3
121.10147	31.3
123.11632	8.2
125.09577	12.6
128.06087	7.2
129.07004	10.6
131.08549	13.2
133.10081	14.1
135.07997	10.6
137.09612	33.7
142.07799	10.9
143.08554	16.1
145.10071	38.6
147.11688	10.7
149.09616	12.8
149.89120	6.4
151.11186	26.8
155.08467	8.4
156.09344	8.9
157.10085	31.7
171.11662	16.5
275.65262	7.7
300.43475	6.6
305.38577	6.3
339.28891	6.8
344.95340	7.4
377.29117	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	433.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85815	3.9
53.03922	5.9
54.12481	3.3
55.01844	19.3
55.05497	31.4
57.03410	5.1
57.07053	6.3
60.34593	3.9
64.32577	4.8
65.03907	3.9
67.05468	26.6
68.75483	3.5
68.99755	5.6
69.03399	56.1
69.07036	28.8
69.13596	3.5
71.04979	33.5
79.05464	30.7
81.03374	46.7
81.07021	60.9
83.04942	61.1
83.08585	17.0
84.05279	3.8
85.02882	37.8
85.06467	4.3
87.00788	25.5
91.05441	48.4
92.09299	6.1
93.06997	59.3
95.04941	18.8
95.08559	44.0
97.02847	30.2
97.06479	9.1
103.05471	5.3
105.06987	79.8
107.04903	9.3
107.08556	58.0
109.02851	6.2
109.06457	16.2
109.10120	35.5
111.04420	18.2
117.06963	22.1
119.08537	100.0
121.06470	7.8
121.10076	32.0
123.04331	4.5
123.08006	7.4
127.03893	6.2
127.11152	18.0
128.06195	17.8
129.01842	5.9
129.06943	27.5
130.07719	3.9
131.08469	47.0
133.06416	5.6
133.10066	40.6
135.11626	22.7
137.05963	6.0
141.06955	9.4
142.07736	32.3
143.08507	45.8
144.09274	9.6
145.06477	8.3
145.10086	86.3
147.07979	8.6
147.11636	30.7
149.09605	6.8
151.07420	5.2
153.06924	7.5
155.08574	30.7
156.09302	9.5
157.10057	59.0
159.08015	17.1
159.11627	62.2
159.57903	5.1
161.09534	8.8
161.13161	10.0
163.03839	6.3
163.11206	5.2
164.97305	4.3
165.06953	8.5
166.07742	6.3
166.40424	5.3
167.08487	22.7
169.10080	27.3
170.10869	5.2
171.08005	16.3
171.11595	43.9
173.13194	31.3
174.95010	4.2
175.11107	6.3
179.08569	4.1
181.10043	23.3
182.10909	8.4
183.08040	5.9
183.11646	24.6
185.09544	22.9
185.11549	4.4
185.13199	19.1
187.11108	9.6
187.14746	5.4
189.09015	5.9
193.10037	16.2
194.10811	5.3
195.07933	5.2
195.11678	9.2
197.13152	20.6
199.14801	7.5
201.12639	6.2
201.16313	36.2
207.11632	9.2
209.13135	8.2
211.11069	7.6
211.14832	5.9
213.12584	4.8
213.16312	17.5
215.17896	9.3
215.48076	4.5
217.12131	4.9
223.11011	4.4
225.12654	24.7
225.16344	4.6
227.17818	7.4
243.17389	10.5
251.14177	5.0
259.09622	4.2
269.18866	5.2
271.06021	10.3
287.20065	5.2
293.18958	10.2
311.19901	49.3
313.07004	4.7
329.21002	30.8
347.14902	6.9
359.14822	21.4
397.08801	4.8
415.21033	20.6
433.22153	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1116
Annotation	Isovitexin
Peak:m/z	Relative Intensity
51.82436	0.6
54.27095	0.6
61.02887	0.8
65.03901	1.1
68.99760	3.8
69.03399	23.8
69.08201	0.6
71.04952	1.1
79.05468	1.3
83.04933	1.2
85.02850	1.1
92.09281	1.5
92.99728	1.1
95.03975	0.6
95.04918	1.5
105.06962	0.7
107.04897	1.0
109.02860	0.9
111.04396	1.6
119.08521	1.1
121.02783	1.4
121.06443	1.0
122.50228	0.7
135.04364	7.6
137.02293	18.2
141.01753	1.2
143.10628	1.3
149.02315	5.2
153.01788	1.0
161.02272	8.3
163.03827	4.3
165.00377	0.9
165.01759	23.4
167.03352	8.7
171.04340	1.2
175.03760	1.3
177.01785	4.5
179.03314	6.0
181.04977	0.8
181.06610	0.9
182.86728	0.8
183.02800	8.1
183.04326	2.1
189.05469	1.1
191.03310	3.7
195.02777	6.2
201.05424	1.1
203.03372	3.5
207.02722	1.1
217.04903	4.2
221.04414	1.1
227.03311	1.0
241.08566	1.2
243.06409	2.9
245.04413	5.3
255.06534	2.3
263.05457	1.2
271.05893	2.7
279.06387	0.8
283.05872	17.2
286.04578	10.1
287.05350	8.1
289.03378	1.8
295.05853	5.0
297.07483	13.8
299.05392	80.1
300.06174	19.8
301.07010	1.3
308.06503	1.8
310.04578	1.5
311.05389	19.0
313.03546	1.9
313.06909	9.5
323.05453	1.2
323.08990	3.6
324.06064	1.2
325.03616	2.0
325.06943	33.2
327.08453	5.0
329.06421	100.0
330.06940	1.2
333.07343	0.9
335.09412	1.1
336.05911	1.0
337.06955	12.7
339.04785	1.4
351.08466	23.8
353.06393	33.8
355.07941	2.9
361.06833	6.2
379.07983	54.1
397.09030	74.3
398.09485	1.6
415.10013	13.0
433.10999	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85815	3.9
53.03922	5.9
54.12481	3.3
55.01844	19.3
55.05497	31.4
57.03410	5.1
57.07053	6.3
60.34593	3.9
64.32577	4.8
65.03907	3.9
67.05468	26.6
68.75483	3.5
68.99755	5.6
69.03399	56.1
69.07036	28.8
69.13596	3.5
71.04979	33.5
79.05464	30.7
81.03374	46.7
81.07021	60.9
83.04942	61.1
83.08585	17.0
84.05279	3.8
85.02882	37.8
85.06467	4.3
87.00788	25.5
91.05441	48.4
92.09299	6.1
93.06997	59.3
95.04941	18.8
95.08559	44.0
97.02847	30.2
97.06479	9.1
103.05471	5.3
105.06987	79.8
107.04903	9.3
107.08556	58.0
109.02851	6.2
109.06457	16.2
109.10120	35.5
111.04420	18.2
117.06963	22.1
119.08537	100.0
121.06470	7.8
121.10076	32.0
123.04331	4.5
123.08006	7.4
127.03893	6.2
127.11152	18.0
128.06195	17.8
129.01842	5.9
129.06943	27.5
130.07719	3.9
131.08469	47.0
133.06416	5.6
133.10066	40.6
135.11626	22.7
137.05963	6.0
141.06955	9.4
142.07736	32.3
143.08507	45.8
144.09274	9.6
145.06477	8.3
145.10086	86.3
147.07979	8.6
147.11636	30.7
149.09605	6.8
151.07420	5.2
153.06924	7.5
155.08574	30.7
156.09302	9.5
157.10057	59.0
159.08015	17.1
159.11627	62.2
159.57903	5.1
161.09534	8.8
161.13161	10.0
163.03839	6.3
163.11206	5.2
164.97305	4.3
165.06953	8.5
166.07742	6.3
166.40424	5.3
167.08487	22.7
169.10080	27.3
170.10869	5.2
171.08005	16.3
171.11595	43.9
173.13194	31.3
174.95010	4.2
175.11107	6.3
179.08569	4.1
181.10043	23.3
182.10909	8.4
183.08040	5.9
183.11646	24.6
185.09544	22.9
185.11549	4.4
185.13199	19.1
187.11108	9.6
187.14746	5.4
189.09015	5.9
193.10037	16.2
194.10811	5.3
195.07933	5.2
195.11678	9.2
197.13152	20.6
199.14801	7.5
201.12639	6.2
201.16313	36.2
207.11632	9.2
209.13135	8.2
211.11069	7.6
211.14832	5.9
213.12584	4.8
213.16312	17.5
215.17896	9.3
215.48076	4.5
217.12131	4.9
223.11011	4.4
225.12654	24.7
225.16344	4.6
227.17818	7.4
243.17389	10.5
251.14177	5.0
259.09622	4.2
269.18866	5.2
271.06021	10.3
287.20065	5.2
293.18958	10.2
311.19901	49.3
313.07004	4.7
329.21002	30.8
347.14902	6.9
359.14822	21.4
397.08801	4.8
415.21033	20.6
433.22153	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1119
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
51.99965	0.7
56.33703	0.9
57.86425	0.7
59.39648	0.7
61.02930	0.9
68.99781	1.3
69.70876	0.8
70.72578	0.9
81.03381	1.4
82.30962	0.8
85.02869	3.6
90.58897	0.8
95.04980	1.0
97.02872	1.4
111.04636	0.8
119.04919	3.6
121.02827	9.7
145.02840	1.5
149.02313	1.8
163.03821	6.2
165.01776	17.9
167.03345	2.0
183.02818	6.5
187.03909	1.2
191.03387	1.9
195.02849	1.9
222.62015	1.0
255.06464	1.3
267.06436	5.6
270.05148	4.2
271.05969	5.6
279.06598	3.6
281.08054	11.7
283.05908	100.0
284.06531	7.1
295.05917	10.3
295.09445	3.4
297.07410	2.2
305.08041	3.7
307.06049	1.7
308.06763	2.0
309.03928	2.3
309.07443	37.7
313.06949	43.5
321.07385	1.5
323.08990	20.6
333.07455	3.6
337.03152	1.7
337.06952	36.4
349.06750	11.6
351.08545	1.1
361.06979	7.1
367.08017	12.3
379.07928	11.3
397.08881	9.6
415.10138	7.0
433.11115	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	433.1114
Annotation	Galanginin
Peak:m/z	Relative Intensity
50.49697	0.2
53.03895	0.2
55.01831	0.2
57.03401	0.3
59.82988	0.2
61.02888	0.3
67.01814	0.4
68.99734	0.4
69.03363	1.4
79.01801	0.2
81.03350	1.1
85.02876	3.5
85.09489	0.2
91.05427	0.5
97.02823	1.0
109.02808	0.3
119.04899	3.3
120.05677	0.2
121.02072	0.3
121.02827	4.7
134.25620	0.2
144.73770	0.2
145.02808	1.8
146.03128	0.4
153.01773	6.0
163.03850	0.5
165.01776	0.5
171.02786	0.5
177.05447	1.7
178.05702	1.0
183.02750	0.3
187.03877	0.3
191.03334	0.3
207.76691	0.2
213.05367	1.2
217.04936	1.1
225.05353	0.3
243.06485	0.9
255.06355	1.4
256.07214	1.8
259.05911	0.5
261.03790	0.4
271.05899	100.0
272.06287	0.9
281.07944	0.3
283.05905	15.1
284.06677	8.2
285.07355	0.4
295.05881	2.6
297.07449	6.0
308.06799	0.4
309.07364	2.5
310.60812	0.3
311.05515	0.7
313.06943	14.3
323.08905	3.1
325.07059	1.8
337.06946	6.5
343.07959	1.4
351.08484	1.2
367.07834	1.7
379.07999	1.2
397.09039	2.5
415.09988	3.2
433.11121	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	433.1118
Annotation	Luteolin 3'-methyl ether 7-xyloside
Peak:m/z	Relative Intensity
51.01759	1.1
55.01850	1.3
55.05486	2.3
57.03415	2.3
57.37313	1.1
67.05457	2.2
69.03385	2.8
69.07063	1.4
71.04958	2.3
74.80256	1.2
79.05446	5.8
81.03385	5.0
81.07019	5.7
83.04926	2.6
85.02852	5.6
91.05429	6.3
93.06989	8.2
95.04925	1.6
95.08578	2.5
97.02840	1.7
97.06450	5.2
100.53213	1.2
105.06982	6.4
107.08568	2.1
109.10110	3.1
111.04450	1.8
113.24421	1.4
119.04882	6.3
119.08553	1.7
121.02798	14.4
121.06433	1.9
121.10085	5.6
131.08531	5.7
133.10078	2.1
137.09566	4.5
145.02779	2.5
145.10068	2.9
147.04337	1.3
147.11559	1.3
149.09639	1.4
157.09988	1.5
159.11656	1.8
163.03813	5.3
165.01785	12.7
167.03299	2.3
183.02856	5.7
187.03888	1.8
191.03349	1.6
205.04929	1.5
217.15691	2.3
235.16881	2.8
255.06462	5.0
256.07123	6.5
261.03928	2.3
267.06345	7.2
270.05157	1.8
271.05963	6.9
281.07986	6.8
283.05896	100.0
284.06616	32.3
293.08038	1.4
295.05948	12.4
297.07492	12.4
308.07053	2.0
309.04172	1.9
309.07394	17.3
313.06940	76.8
323.05267	2.0
323.08878	19.7
325.07013	2.4
333.07407	2.1
337.06897	24.4
349.06848	8.3
351.08646	2.4
361.06790	3.1
367.07959	14.9
379.07901	8.7
397.08942	17.6
415.10007	13.1
433.05850	2.0
433.11136	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	432.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.7
55.01844	1.4
55.05491	13.4
57.03402	1.9
57.07043	5.1
61.02898	2.1
67.05478	16.8
69.03391	7.6
69.07047	19.7
71.04952	5.5
73.02871	1.4
74.86038	1.2
79.05461	19.1
81.03384	5.3
81.07027	99.1
83.04935	1.8
83.08578	6.8
85.02881	17.0
85.06503	6.2
91.05457	21.1
92.08817	1.3
93.06429	1.8
93.07011	47.2
94.07368	1.1
95.04915	6.6
95.08575	66.1
96.08891	1.5
97.02838	5.2
97.06496	7.2
97.10130	4.7
102.70174	1.4
105.07000	59.6
107.08563	61.5
109.06479	15.4
109.10130	31.4
111.08019	5.5
117.06951	2.0
119.08537	70.1
121.06423	2.1
121.10108	27.1
123.08033	4.7
123.11684	15.8
125.05966	5.4
125.09598	4.9
129.06902	1.3
131.04869	1.6
131.08533	5.3
133.10091	71.2
135.07918	2.0
135.11647	36.5
137.05942	1.6
137.09563	1.7
139.07463	4.7
139.11143	1.5
143.08473	2.4
145.04924	1.6
145.10078	7.7
146.10454	1.4
147.08003	1.4
147.11644	40.9
149.13229	5.9
151.07484	21.9
151.11102	1.6
153.09038	4.8
157.10014	4.9
159.11659	7.0
161.09552	6.5
161.13199	44.1
165.09090	1.6
165.12677	2.7
173.13210	5.7
175.11127	6.5
175.14716	8.7
179.10640	12.1
189.16325	100.0
193.12178	65.6
199.14754	7.3
217.15813	27.3
235.16844	35.9
253.14253	24.2
253.17934	2.2
395.50122	1.3
400.38254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10390	0.7
53.03925	1.7
55.05506	9.6
57.03401	0.9
57.07053	1.2
61.02896	1.8
67.05479	17.3
69.03400	5.3
69.07039	6.0
71.04951	0.8
75.79780	0.8
79.05460	12.7
81.03362	1.9
81.07023	100.0
83.08613	1.2
84.32885	0.9
85.02863	10.6
91.05444	10.0
93.07005	21.2
95.04945	4.9
95.08571	53.2
97.02849	5.0
97.06480	1.7
97.10128	2.0
99.04399	1.3
101.52198	0.8
105.06992	35.9
107.08558	38.8
109.10114	19.0
111.08035	1.3
113.05998	1.5
119.08536	52.7
121.10094	15.7
123.08022	3.9
123.11655	32.3
127.03864	1.6
127.77148	0.9
131.08527	5.3
133.10085	27.0
135.08023	3.6
135.11638	22.3
139.07524	1.7
143.08577	1.6
145.04887	1.1
145.10104	2.0
147.07977	1.4
147.11638	16.6
153.09096	4.7
157.10075	2.2
159.11647	6.5
161.09581	2.3
161.13196	49.1
165.09061	2.0
167.99745	1.1
175.11232	1.9
175.14778	1.1
179.10634	1.6
189.16316	68.6
199.14760	2.3
217.15775	13.4
220.79269	0.9
235.16829	41.4
235.19112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	3.2
67.05473	3.4
71.08598	2.5
78.40713	1.5
91.05457	1.5
92.09266	2.4
99.12549	1.5
109.10099	5.9
121.06465	14.3
121.39358	1.6
135.07973	1.5
136.08809	17.2
137.09560	14.7
149.09583	2.5
151.21255	1.6
164.08287	26.5
165.09056	100.0
166.09479	6.1
177.08968	2.6
187.10443	1.5
190.49010	1.8
205.12151	3.4
351.08051	1.8
430.37909	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	432.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	0.2
61.02905	0.2
61.09515	0.1
69.03403	0.4
69.07036	1.4
70.06584	0.2
71.04952	0.8
73.02894	0.2
79.05470	0.4
80.80077	0.2
83.04980	0.2
85.02877	1.5
86.09656	0.2
87.08072	0.7
91.05446	0.4
92.62462	0.2
93.07001	1.0
95.04936	0.3
97.02851	0.8
98.97551	1.1
99.28650	0.2
103.05437	5.4
105.09096	0.3
107.04923	2.2
113.05992	0.3
116.98588	0.8
119.04906	0.3
119.88740	0.2
120.08067	100.0
121.06467	0.3
121.08421	1.1
127.03930	0.2
131.04887	2.8
134.99673	0.3
147.04405	1.2
149.01195	0.3
149.05971	1.5
158.99542	0.3
163.03865	0.7
166.08582	26.1
177.05420	0.2
177.29192	0.2
235.06297	0.3
239.04384	0.3
353.07397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38551	1.0
52.97603	0.8
53.00281	1.0
53.55605	0.9
55.01854	1.7
55.05496	1.2
56.96542	2.5
57.03425	18.3
57.07076	1.0
58.27171	0.9
59.91344	0.9
60.16799	1.0
60.42968	0.9
61.02898	6.6
67.16092	1.0
68.09081	1.0
69.03403	20.2
69.07046	100.0
71.01359	1.0
71.04974	1.7
73.02888	34.9
74.09674	1.2
79.05461	1.7
81.03374	2.7
81.07037	1.9
83.08591	2.0
85.02368	1.8
85.02882	51.4
85.06547	1.1
87.04453	1.8
87.08082	4.4
89.03870	1.9
91.03938	1.5
91.05418	1.4
93.06973	1.7
95.08582	1.4
97.02857	29.9
105.07010	1.3
107.04935	1.5
109.02837	5.3
111.08038	2.8
115.03922	15.8
119.08559	1.2
119.10669	17.1
127.03881	13.5
127.04772	1.7
133.04919	5.1
135.04356	2.6
145.02837	1.2
145.04936	15.1
163.03864	10.4
163.06001	7.0
189.00679	1.5
195.10078	1.3
213.11147	2.3
219.12561	1.3
223.07613	1.8
249.13280	1.4
259.08023	1.2
281.15863	1.5
295.06046	1.2
295.10129	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	430.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71764	0.5
53.03933	0.8
54.28061	0.6
55.01849	1.4
56.96534	1.0
57.03154	1.1
57.03418	27.1
57.07055	17.3
59.04969	3.0
61.02901	13.1
69.03406	37.6
71.01305	3.4
71.04954	1.4
73.02885	50.5
74.09695	4.6
81.03379	6.0
85.01112	1.3
85.02873	100.0
86.09686	2.6
87.04435	9.7
91.03922	6.3
91.05433	7.7
96.60265	0.6
97.02852	47.7
99.04386	4.9
103.03934	0.9
106.02882	0.8
109.02839	8.3
111.04410	0.7
115.03066	1.0
115.03890	29.9
117.03342	0.9
118.99835	1.0
119.04901	9.7
119.10661	4.9
123.04407	0.8
124.03940	1.4
127.02035	0.7
127.03869	26.3
128.55836	0.6
128.98532	1.0
129.03677	2.3
129.40326	0.6
130.17572	0.7
133.01373	7.0
133.04930	14.7
135.04335	1.5
136.12775	0.6
137.02205	0.8
141.05403	1.3
145.02719	1.0
145.04916	35.1
147.04361	27.8
159.06407	1.2
161.00845	25.8
163.03897	7.0
163.05949	16.9
183.91750	0.8
184.60858	0.7
192.98024	3.0
195.01170	1.0
195.08557	9.5
196.01355	1.3
210.99106	6.1
223.06021	0.7
225.09618	23.9
226.74423	0.7
229.00032	1.6
237.02727	1.2
241.06989	0.9
251.03903	4.7
259.08035	1.5
281.34814	0.8
295.10077	6.4
357.13712	1.1
362.81403	0.8
430.21310	3.8
449.33899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01855	11.7
57.03152	1.1
57.03418	24.3
57.06789	0.9
57.07058	21.2
59.04974	3.8
61.02903	19.3
63.04465	19.2
63.94529	0.5
69.03403	36.7
70.09647	0.5
71.01315	5.8
71.04970	1.0
73.02888	100.0
79.05466	0.6
81.03404	6.0
83.04967	0.8
84.29605	0.6
85.02875	79.2
87.04420	5.4
91.03922	1.5
92.62819	0.6
95.04948	0.6
96.04458	0.6
97.02854	57.7
99.04408	4.0
101.09627	0.8
103.03905	3.8
109.02855	6.6
115.03889	24.2
119.10649	44.9
127.03875	19.5
132.06540	0.7
133.04915	22.0
145.04921	18.2
163.05913	7.9
169.82166	0.7
180.20828	0.6
193.04901	1.0
197.29993	0.6
199.05978	0.8
215.12727	0.9
217.07051	0.7
223.05923	3.1
241.07025	3.7
251.14793	4.9
255.31053	0.6
259.08047	7.7
277.08951	1.1
281.15747	2.6
295.10107	3.9
347.55225	0.7
385.82233	0.7
430.22537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.1
54.02868	0.8
57.03419	67.9
57.06790	1.3
57.07056	36.4
57.88349	0.8
59.04976	5.1
60.04501	1.2
61.02903	18.8
63.04467	36.1
64.31968	0.8
69.03403	83.4
70.49694	0.8
71.01318	6.4
71.04966	1.8
73.02886	100.0
75.04443	1.4
75.85081	0.9
81.03380	6.5
85.02876	84.1
87.04437	23.4
91.03912	1.5
92.08724	1.9
97.02851	85.2
99.04400	3.5
109.02820	5.2
115.03889	59.8
119.10646	84.2
127.03864	13.1
133.04907	24.6
135.85313	1.0
141.32619	0.9
145.04924	11.6
146.81715	0.9
147.04417	1.9
163.06036	3.5
223.05818	1.9
241.06940	4.4
245.23650	1.1
251.14697	3.7
259.08017	5.8
281.15903	7.3
295.10129	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	430.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40087	0.1
55.01847	0.2
57.03403	0.3
58.67369	0.1
61.02895	0.8
69.03393	1.8
70.06551	0.2
71.04961	1.3
73.02876	0.3
74.09680	1.9
74.22206	0.1
79.05424	0.2
81.03393	0.4
85.02370	0.2
85.02869	5.4
85.06505	4.0
86.09654	0.6
87.04423	0.2
89.65830	0.2
97.02849	1.7
107.04908	100.0
108.05239	0.3
109.02825	0.3
109.06458	0.5
113.05955	4.1
121.06436	2.3
127.03864	1.0
127.07487	1.0
127.12075	0.2
139.07478	0.2
145.04865	0.5
147.04323	1.2
149.05919	1.0
162.50687	0.2
233.11618	16.7
251.12677	0.9
430.21167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01846	3.1
57.03421	8.0
59.04982	100.0
61.02900	6.6
64.32765	0.9
69.03034	1.3
69.03406	38.4
71.04978	6.3
73.02877	4.6
74.40159	0.9
81.03387	33.4
81.06988	1.1
83.01298	1.1
85.02879	76.9
87.04436	85.6
89.35895	0.7
91.03907	3.5
91.05453	4.3
97.02856	95.4
99.04420	12.0
100.16415	0.8
103.03887	1.3
105.05470	45.5
109.02845	24.9
109.10126	1.0
115.03900	1.5
119.04922	14.4
123.04345	1.0
127.03873	59.0
131.08534	0.8
134.18077	0.9
145.04915	40.0
147.04369	61.1
163.05969	1.5
165.05431	4.2
171.04387	3.5
189.05414	1.6
213.07506	1.8
231.08563	23.7
249.09593	21.1
429.20740	1.1
430.21143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03701	0.6
53.03933	11.5
54.80701	0.6
55.01859	13.6
57.03417	8.3
59.89571	0.4
60.04485	0.6
60.51295	0.4
61.02605	0.6
61.02904	8.6
63.24383	0.5
68.99751	5.8
69.03403	41.9
71.01335	0.6
71.04966	6.4
73.02885	12.0
73.82272	0.5
81.03386	44.3
81.07003	0.6
83.01273	1.1
84.15817	0.5
85.02875	100.0
87.00798	47.7
87.04418	1.1
91.03902	3.7
91.04391	0.5
97.02852	37.6
98.05976	0.6
99.04416	17.6
103.03908	0.7
105.01832	27.1
108.04440	8.1
109.02846	39.2
115.03929	1.1
117.01822	7.7
124.05080	0.6
126.05488	4.3
127.03868	61.5
129.01790	5.5
137.05948	3.6
145.04916	28.7
147.02849	2.1
148.05151	0.8
159.02823	27.4
161.09644	0.7
165.09035	0.8
177.03912	0.9
182.86285	0.6
189.08969	3.9
207.10191	0.6
213.03867	2.6
230.06448	2.2
231.04909	11.6
231.09966	1.2
248.07619	3.7
249.06075	0.7
273.11011	1.0
287.19336	0.8
347.74698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22633	0.3
53.03938	3.8
55.01855	4.0
57.03419	3.9
61.02894	3.6
62.63728	0.3
65.03911	0.5
68.99747	2.1
69.03405	15.7
69.07036	0.5
70.06564	5.5
71.04977	2.8
71.05301	0.3
73.02888	5.5
81.03384	15.0
85.02873	39.4
86.09676	3.0
87.00796	20.4
88.73100	0.4
90.52129	0.4
91.03923	2.0
91.05437	6.0
95.78298	0.5
97.02853	17.3
99.04409	6.1
103.03904	1.0
105.01834	13.9
109.02847	12.8
115.03867	0.4
117.01796	2.0
119.04038	0.9
119.04897	24.2
119.10619	0.7
123.04371	2.1
127.03868	21.8
129.01770	2.5
145.04910	8.3
147.04362	100.0
148.04745	0.6
159.02834	6.6
165.05438	6.4
169.67259	0.4
171.04300	0.7
189.05386	0.9
213.03799	0.7
231.04669	3.9
249.05919	0.6
339.79453	0.4
377.08829	0.5
395.09631	8.6
413.10620	2.4
429.20895	0.5
430.21188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
55.05463	1.4
57.03415	7.2
59.04979	98.4
61.02890	5.6
67.88787	1.3
69.03037	1.6
69.03404	43.4
71.04950	5.4
73.02877	5.5
74.74882	1.1
76.75240	1.0
81.03383	34.8
85.02873	80.4
87.04436	83.3
87.96236	1.1
91.03924	2.7
91.05446	2.9
92.08763	1.6
97.02854	100.0
99.04421	12.3
105.05470	49.1
105.06951	1.8
109.02850	28.8
119.04926	13.0
127.03864	60.3
145.04912	39.1
147.04359	51.7
163.05949	1.7
165.05450	3.0
208.92874	1.2
213.07469	2.5
231.08549	20.2
249.09561	20.3
249.90431	1.3
430.21774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65948	0.7
53.03926	2.4
55.01856	10.4
55.05485	1.2
56.02176	1.0
56.96550	5.9
57.03187	1.2
57.03423	20.4
58.03761	0.9
60.05621	1.3
61.02904	18.2
63.62342	0.9
69.03406	57.4
70.03732	1.3
71.01360	1.3
71.04967	5.7
72.08111	1.2
73.02888	19.5
74.02439	1.6
80.71395	1.0
81.03387	14.7
83.01322	1.3
83.04942	4.4
84.08131	1.0
85.02877	100.0
86.03205	5.6
86.06022	4.2
87.04436	9.5
91.03915	4.4
91.05469	1.2
92.01257	1.4
96.04501	2.2
97.02856	36.7
98.01289	1.8
98.97540	38.6
99.04420	10.6
101.00847	1.5
101.02342	2.2
104.01283	1.4
105.02032	1.3
107.01790	6.0
107.04903	1.1
109.02852	8.6
110.01259	4.9
110.97531	4.6
111.02018	7.9
112.99089	6.0
114.05499	5.0
115.03885	5.2
116.01233	1.5
116.98576	18.9
117.02045	2.3
119.01788	16.8
119.04871	1.2
119.51969	1.2
120.02576	14.0
121.06455	16.8
124.62705	1.0
125.01798	2.4
126.02549	1.7
127.03882	33.8
128.02283	4.7
128.04202	2.5
128.98561	6.3
129.03040	38.6
129.05409	2.0
129.53300	1.7
131.00165	8.4
131.01796	2.0
132.02562	1.4
132.06454	2.0
134.02223	1.5
134.99597	7.7
135.04364	2.0
136.06207	4.0
138.02568	2.8
138.03575	15.4
138.09061	2.0
140.02249	4.4
140.53862	1.3
141.03041	7.3
143.00111	7.4
143.01884	5.7
144.97993	1.3
145.03502	3.8
145.04924	17.5
146.02205	3.8
146.03752	1.2
146.99599	5.0
147.03046	9.4
147.04362	6.1
148.04750	1.8
149.01186	9.2
149.02824	2.5
150.03543	2.5
152.02266	1.1
153.03091	4.5
154.03819	1.7
155.01833	3.7
156.03574	10.6
156.53772	1.4
157.03427	8.5
158.03596	1.9
158.99611	11.2
159.03070	4.5
161.01195	11.4
161.02898	10.5
162.03596	5.0
162.53656	1.6
163.02692	1.6
163.03842	10.2
165.04198	1.3
167.02196	1.5
168.02333	1.3
168.03444	7.5
169.04370	1.5
170.03265	1.3
170.99640	4.4
171.04060	5.8
173.01183	9.1
173.02913	7.8
174.03032	1.3
175.04480	4.1
176.04672	1.5
177.00650	10.1
177.04105	32.1
177.05876	6.8
177.54247	2.2
178.04898	4.8
179.02243	8.0
185.01193	1.8
185.02919	4.0
186.04677	1.3
189.00731	7.2
191.02188	8.7
191.03853	4.9
192.04567	23.9
192.54764	1.7
193.56404	1.5
197.03233	5.1
200.54623	1.7
201.00725	6.8
201.05141	11.9
201.55447	1.3
202.05949	4.0
203.02232	3.9
203.03880	3.2
205.06882	2.0
206.07257	2.0
207.01746	8.1
212.56059	1.4
215.02145	2.1
215.03970	1.3
219.01689	11.2
221.03259	5.5
223.06500	13.3
224.06729	7.4
225.06424	1.5
227.04182	1.3
231.01625	1.6
233.03192	1.2
237.02722	13.1
239.04303	35.2
240.05028	4.7
240.56076	1.2
241.07611	6.1
245.05029	8.9
246.05241	1.5
247.04448	1.3
249.02985	1.6
249.06134	14.8
249.56198	1.3
257.05313	9.8
258.06696	24.4
258.56882	6.0
259.07584	1.2
261.02768	4.6
263.06189	1.5
265.07629	11.1
266.07755	2.5
267.07465	1.5
275.06146	2.0
279.03754	6.1
281.05350	5.4
282.07779	4.2
283.08472	1.8
291.95209	1.1
292.05984	1.6
293.05258	1.2
323.07748	2.0
330.08850	1.5
335.06085	8.5
338.58240	1.4
339.09268	21.4
339.59384	5.6
351.06012	1.2
353.07385	9.6
365.08899	1.2
367.10831	1.2
395.08505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3717
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.65424	0.5
55.05495	4.4
55.57903	0.5
57.07057	26.1
67.05483	5.9
69.07049	6.1
71.08606	14.6
73.55521	0.6
79.05461	2.8
81.07021	10.1
83.04964	0.6
83.08593	2.6
85.10151	7.3
91.05454	2.8
92.08693	2.3
93.06997	3.9
95.08562	9.7
97.10120	1.2
105.06993	3.6
107.08571	8.2
109.10098	8.3
111.04385	1.1
119.08555	5.0
121.06466	1.4
121.10086	6.9
123.07995	1.2
123.11665	0.7
131.08522	2.7
133.10074	1.5
135.08028	7.8
135.11656	1.4
137.05920	1.2
137.09573	18.6
137.13168	0.7
139.07507	3.1
144.09358	0.8
145.10071	3.4
147.08015	0.8
149.09561	19.4
149.13193	0.9
151.07494	1.0
159.07973	1.0
159.11636	3.2
160.08759	0.9
161.09578	1.1
162.06743	0.8
163.07550	0.9
163.11122	20.4
165.09053	100.0
173.09579	3.2
173.13200	1.1
174.10361	0.7
175.11078	6.5
176.08250	1.5
177.09027	15.2
177.12724	3.4
179.10619	1.5
186.10368	1.1
187.11104	3.2
187.42062	0.7
189.09106	1.1
189.12619	1.0
190.09843	2.3
191.10632	11.2
201.12746	3.2
203.10674	4.7
204.11404	1.2
205.12160	11.8
205.13945	0.7
215.14253	1.2
219.13768	4.4
231.60161	0.8
233.15305	0.9
258.89072	0.8
261.18277	0.9
303.23071	1.0
348.43832	0.7
392.51227	0.7
401.34042	1.5
407.59583	0.7
410.47888	0.7
411.36102	2.4
429.31937	1.5
429.37103	40.9
430.37515	0.8
451.57019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.1
57.07056	18.0
62.72301	1.3
64.32715	1.4
67.05473	3.7
69.07051	6.5
71.08601	11.2
79.22203	1.7
81.07032	9.0
84.51872	1.4
85.10159	3.2
95.08581	7.0
101.91983	1.5
105.06969	2.4
107.08572	7.2
109.10116	9.6
119.08541	3.6
121.10104	3.7
122.23291	1.7
131.08533	2.5
135.08044	4.1
137.09579	11.8
145.10081	2.3
145.64804	1.4
149.09547	17.1
163.11125	20.4
165.09042	100.0
166.30138	1.6
173.09657	1.6
174.03787	1.5
175.11115	2.6
177.09056	10.7
177.12616	1.6
191.10652	8.1
205.12169	7.4
289.21399	1.9
429.31561	13.3
429.37073	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	429.3719
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.23639	1.0
53.22717	1.1
55.05481	2.5
57.07061	28.7
60.48828	1.1
67.05482	6.3
69.07038	6.8
71.08617	14.8
76.69953	1.2
79.05460	1.7
81.07023	9.9
83.08602	1.4
85.10137	5.8
91.05412	2.3
93.06993	2.8
95.08566	8.8
97.38928	1.3
105.06968	2.5
107.08562	11.6
109.10161	9.8
114.36682	1.6
115.71934	1.4
119.08542	7.2
121.10086	7.2
131.08504	2.6
133.10118	1.7
135.08012	7.1
135.11635	2.7
137.09572	16.2
139.07495	1.9
145.10043	2.6
149.09578	20.0
157.10130	1.6
159.11629	5.5
162.06798	1.6
163.11151	17.6
165.09059	100.0
173.09605	1.4
175.11127	7.4
176.08334	1.5
177.09032	17.1
177.12726	2.1
179.10677	1.5
186.10384	1.5
189.12788	1.5
190.09851	2.4
191.10654	13.2
201.12689	3.2
203.10695	2.0
205.12160	9.7
219.13666	5.9
233.15317	1.8
401.33987	2.1
429.31708	5.3
429.37128	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	429.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	24.6
56.96541	6.0
57.07071	5.2
58.98072	5.5
62.69533	5.0
63.23640	4.6
67.05475	36.6
69.07047	56.8
79.05453	40.1
81.07019	53.9
83.08614	11.2
85.06528	6.0
86.29947	5.7
91.05442	27.3
93.06992	78.3
95.04932	7.1
95.08575	98.3
105.07000	60.3
107.08557	100.0
109.06462	8.8
109.10129	39.2
117.06974	6.0
119.08556	99.9
121.10096	93.0
123.11677	13.4
131.08519	28.7
133.10110	74.0
135.11653	69.4
141.06946	8.0
143.08505	23.4
145.10101	31.5
147.07980	10.0
147.11653	37.0
149.13185	13.4
157.10110	29.3
159.11684	35.1
161.09560	9.2
161.13214	29.3
163.14812	14.3
171.11610	11.3
175.14804	10.6
185.13199	25.0
187.14807	15.3
189.16261	10.4
191.17909	34.9
195.11685	8.2
197.01416	6.7
201.16347	12.0
203.17914	25.6
213.16277	6.8
257.68167	6.4
275.15286	5.7
287.20084	7.8
383.29257	36.5
411.28928	8.4
429.29501	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	429.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79342	3.0
55.05489	24.9
55.59376	3.4
56.39236	2.9
57.07055	8.5
60.07926	3.4
67.05482	20.3
69.07047	24.3
77.53566	3.4
79.05446	5.6
80.82231	3.2
81.07014	32.1
83.08575	24.1
85.06505	5.2
91.05459	19.9
92.08652	12.1
93.07010	43.4
95.08575	40.1
97.10123	4.2
99.08062	21.1
105.07005	47.4
107.08561	51.4
109.10123	21.5
116.21833	4.3
117.06975	7.8
119.08540	38.5
121.10114	18.4
123.08039	4.1
123.11681	20.5
123.95625	3.6
127.11169	5.0
129.06992	6.4
131.08524	24.1
133.06429	4.9
133.10098	28.0
134.07278	14.5
135.07999	7.3
135.11636	8.6
137.13168	6.2
143.08508	14.7
145.02284	4.0
145.10120	28.5
147.08002	5.2
147.11674	15.3
149.09537	4.1
155.08531	18.2
157.10138	32.1
159.11659	24.3
161.09546	5.0
161.13234	5.7
169.10089	32.9
171.11612	20.7
173.09517	6.9
173.13203	19.4
177.12686	85.2
179.14258	5.8
181.09962	5.1
181.16649	4.3
183.11612	9.3
185.09607	6.4
185.13217	18.4
187.11145	4.0
187.14809	16.0
191.14232	5.8
195.11636	15.2
196.12463	3.8
197.13226	16.3
198.72633	3.8
199.14801	6.2
201.16270	5.4
203.14320	6.1
209.13181	4.5
211.14763	34.2
213.16347	5.2
223.14844	6.8
225.16220	9.0
239.17957	5.5
243.17412	9.2
253.19415	14.9
255.17410	5.3
279.20969	3.8
311.23593	25.9
323.27618	6.6
341.28271	6.0
343.00885	5.3
365.28418	24.2
383.29303	100.0
407.91684	3.9
411.28458	8.5
419.00745	3.9
429.30319	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	429.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96531	0.8
59.37021	0.6
63.88022	0.6
69.03415	1.4
73.02898	0.6
81.07047	0.7
85.02889	5.4
89.68258	0.7
99.08050	0.7
105.07001	0.9
111.04379	1.3
115.03857	2.5
119.04921	0.8
122.09669	0.9
127.03838	0.9
137.05952	3.2
138.06282	1.3
146.99635	1.1
161.01282	1.0
163.03831	0.9
203.05182	1.4
371.16739	1.3
375.47006	0.7
411.19586	2.3
429.20850	100.0
430.21567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25801	0.7
57.03405	1.9
62.32115	0.7
69.03406	1.5
73.02881	1.7
81.07034	1.8
85.02867	5.7
86.03259	0.9
86.11722	1.0
91.38284	0.9
97.02858	1.8
98.03160	1.1
99.08055	1.6
105.06992	3.8
115.03886	1.3
127.03910	1.0
128.98524	1.3
137.05945	3.8
161.05887	0.9
163.03833	1.4
165.65469	0.9
203.05324	1.1
211.77315	1.2
220.89552	0.8
396.79608	0.9
411.19531	1.0
429.20807	100.0
430.21265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01853	2.3
57.03420	36.9
59.04973	1.7
61.02607	0.6
61.02905	13.6
64.42207	0.3
65.99360	0.3
69.03404	40.9
69.07033	0.4
71.01328	3.6
71.04962	1.5
72.47955	0.3
73.02888	61.9
75.04452	0.4
81.03394	6.4
81.07053	0.5
83.01250	0.4
83.42281	0.3
83.43055	0.4
85.02876	100.0
87.04430	6.8
91.03927	5.4
92.08615	0.9
97.02859	48.6
99.04412	4.3
103.03888	0.6
103.83390	0.4
107.04898	0.6
107.17458	0.5
109.02842	8.3
109.34629	0.4
115.03897	23.5
121.06529	0.4
122.45885	0.3
127.03869	21.6
132.06514	0.6
133.04906	8.3
145.04921	28.7
150.07573	1.6
163.05956	13.1
169.04840	0.5
185.13277	0.4
223.05931	0.7
241.06996	2.8
255.01974	0.4
259.08054	2.2
277.09073	0.5
279.17975	3.2
295.10052	2.8
318.78278	0.4
331.79947	0.4
350.87567	0.4
410.24622	0.4
450.27045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.81131	0.7
55.01849	1.6
55.24660	0.7
57.03151	1.3
57.03418	28.7
57.07049	1.4
59.04989	1.0
61.02901	10.0
67.05490	1.3
69.03403	39.2
69.07030	1.1
71.01321	3.1
71.04960	1.9
73.02884	46.9
78.89651	0.8
79.05466	0.7
81.03394	7.0
81.07046	1.1
85.02874	100.0
85.06549	1.0
87.04443	6.1
91.03917	3.1
91.05437	1.7
93.07005	1.6
94.14877	0.7
95.04940	1.0
95.08528	0.9
97.02857	49.0
97.58083	0.7
99.04397	5.6
101.02927	0.8
103.03966	0.7
103.24926	0.8
105.06985	3.8
107.04910	1.3
107.08536	1.2
109.02852	8.6
112.47041	0.9
113.39267	0.8
114.64066	0.8
115.03892	20.9
117.06979	0.9
119.04918	1.0
119.06490	0.7
119.08527	1.0
121.10107	1.0
123.56366	0.8
127.03871	23.8
131.05008	0.9
133.04950	7.8
137.02307	1.1
145.04913	30.0
145.10103	3.2
150.07655	1.1
157.10014	0.8
163.05959	12.2
165.21674	0.9
199.07172	0.9
201.44005	0.8
242.55402	0.8
259.08142	1.4
279.17886	2.8
428.17737	4.9
429.20828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69550	0.4
52.21923	0.4
52.89205	0.4
53.03918	0.9
55.01846	2.8
56.94736	0.5
57.03415	36.7
59.04966	2.2
60.04510	0.5
61.02900	13.5
69.03402	42.7
71.01321	3.3
71.04942	2.3
71.43166	0.5
72.81577	0.5
73.02884	50.9
73.09057	0.5
75.15237	0.5
81.03378	7.9
85.02872	100.0
87.04439	9.9
87.79850	0.5
90.73905	0.5
91.03922	4.1
92.08660	0.6
97.02850	49.4
99.04432	4.9
101.02302	0.6
103.03878	0.9
109.02843	7.5
115.03880	26.8
127.03861	22.2
132.06508	0.8
133.04913	10.8
144.06514	0.6
145.04907	30.3
150.07533	1.2
163.05936	13.9
163.55560	0.6
181.26364	0.6
198.58034	0.5
223.05939	1.9
241.06975	2.6
259.07980	2.2
279.17917	3.2
295.10080	2.5
388.01102	0.6
399.24420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42510	0.5
55.01850	1.7
55.05491	1.0
57.03420	32.1
57.07047	2.7
57.40745	0.7
58.75904	0.7
61.02910	11.7
64.46445	0.7
69.03033	1.3
69.03407	35.0
69.07042	1.0
69.17072	0.6
69.76006	0.6
71.01319	1.4
71.04972	1.1
73.02888	52.9
79.05467	1.5
81.03389	7.6
81.07005	0.8
82.61833	0.8
83.04951	1.0
85.02879	100.0
87.04444	8.1
91.03925	3.1
91.05423	1.6
92.09345	0.7
93.07032	1.3
97.02856	45.7
99.04418	5.8
103.03912	1.0
105.06992	2.8
107.04955	0.8
109.02849	9.5
114.34348	0.9
114.35596	0.7
115.03091	0.8
115.03896	23.2
119.04895	1.2
127.03873	25.2
133.04924	10.2
135.02153	0.8
145.04932	28.7
145.10072	1.0
150.07573	1.6
151.73155	0.8
163.05972	13.3
167.06926	1.5
169.04970	0.8
185.09608	0.9
223.05957	1.3
241.06963	2.9
249.11084	1.1
259.07986	1.0
279.17926	1.7
291.12701	0.9
295.10095	1.2
314.80368	0.8
326.84088	0.7
385.15866	1.7
428.18170	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	428.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33792	0.8
53.03930	4.0
55.01858	5.1
55.05493	1.5
57.03422	16.4
57.07077	1.0
59.04995	1.7
60.04500	5.3
61.02906	11.4
63.09155	0.9
67.05482	1.9
69.03036	1.4
69.03407	38.0
69.07034	1.0
70.06551	1.5
71.00291	0.9
71.04964	13.9
71.70551	0.8
73.02892	17.4
73.06544	1.4
74.09698	1.8
75.04471	1.4
75.20238	0.9
81.03386	20.3
81.07024	12.3
83.01321	1.2
83.04959	4.1
85.02879	100.0
85.06548	2.2
86.03246	0.9
87.04433	23.0
89.06013	2.3
91.03942	5.6
93.03362	0.9
95.04918	2.2
97.02856	35.0
97.06496	2.4
99.04424	8.0
99.08065	11.1
101.02359	1.1
103.03905	1.7
109.02845	14.4
111.04417	1.7
115.03894	67.3
117.05466	3.8
117.09096	23.5
119.04912	5.1
121.02845	1.1
121.06458	1.4
123.04390	1.5
125.05968	2.0
127.03874	38.3
127.11162	4.1
131.06992	1.6
131.47156	0.9
133.04921	18.7
134.03618	0.9
137.05945	1.6
143.07039	1.8
145.04921	25.5
163.03871	2.2
163.06000	7.2
167.07034	1.3
169.81525	1.1
199.09624	1.9
212.26746	1.1
217.10686	3.8
247.11768	1.8
259.08041	7.7
277.09039	14.4
295.10190	1.3
405.14053	1.0
409.28027	1.0
428.19977	1.2
428.44589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	8.9
56.96551	9.1
57.03403	3.7
57.32948	3.0
60.70819	3.7
67.05477	26.8
69.07043	23.2
71.04946	3.4
78.93214	3.5
79.05067	3.3
79.05465	24.8
81.07016	41.7
83.08571	6.1
91.05443	20.5
93.07014	44.1
95.04964	3.7
95.08564	100.0
97.06548	4.2
105.06979	60.1
107.08554	76.3
109.10135	47.2
111.08054	5.1
119.08560	63.7
121.10090	53.1
123.11649	6.5
131.08548	8.2
133.10106	39.9
135.08012	6.1
135.11649	37.0
145.10052	26.1
147.04350	14.1
147.11673	34.5
149.13225	22.0
157.10126	3.9
159.11630	23.2
161.13214	24.6
163.14761	24.1
171.11497	5.5
173.13229	15.6
175.14743	22.7
177.16344	23.9
187.14725	17.5
189.16273	8.4
191.17923	8.5
201.16356	9.2
203.17908	76.4
204.99776	3.8
205.15829	19.6
223.16826	9.3
223.38922	4.2
227.17880	4.8
239.02345	4.4
257.03235	13.7
277.56802	4.5
409.34525	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42533	1.2
53.03917	1.6
55.05504	12.4
57.07053	2.8
59.01402	1.1
59.04985	1.4
67.05481	20.9
67.60352	1.3
69.07037	20.8
79.05466	14.9
81.07032	35.0
83.08593	10.6
88.30997	1.3
91.05431	17.9
93.07018	39.3
95.08569	78.9
96.57768	1.3
97.10079	5.3
105.06993	44.1
107.08558	61.8
109.06561	1.8
109.10132	34.2
111.08045	1.5
117.06958	2.1
119.08544	41.5
119.09382	1.8
121.06445	2.2
121.10100	57.0
123.08011	1.9
123.11640	10.2
131.08517	9.7
131.12338	1.3
133.10081	41.8
135.07985	5.0
135.11653	30.5
138.66904	1.6
145.10083	21.9
147.11636	34.6
149.09511	1.9
149.13225	22.7
157.10027	1.7
159.11607	14.3
161.13235	20.3
163.11174	7.6
163.14783	22.1
169.74277	1.7
173.13174	2.5
173.53282	1.6
175.11201	1.5
175.14703	15.8
177.12711	1.9
177.16335	23.6
187.14745	14.0
189.14792	1.4
189.16263	12.7
191.17937	11.7
195.13582	1.5
201.16350	6.1
203.17891	100.0
205.15819	30.3
205.19505	2.1
219.17221	1.6
223.16830	18.3
229.19534	1.7
231.21266	1.6
344.63748	1.5
390.34525	1.6
391.33319	3.0
409.34555	16.2
427.35504	6.7
437.66962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3561
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05489	4.4
57.03423	0.9
57.07056	1.1
67.05486	8.4
69.07041	8.6
70.51991	0.7
71.08605	0.7
79.05450	7.4
79.76291	0.8
81.07024	18.1
83.08593	5.1
91.05411	5.5
93.07003	19.7
95.04955	2.9
95.08572	34.5
97.06483	1.6
97.10114	1.2
99.08074	0.8
105.07006	15.4
107.08557	29.8
109.06483	3.6
109.10126	15.9
109.24349	0.8
111.08081	1.6
117.06989	1.3
119.07730	1.5
119.08537	27.2
121.10091	25.9
123.08025	3.5
123.11669	5.7
131.08510	11.3
132.08951	0.8
133.10080	19.7
135.07990	3.1
135.11647	24.0
137.09628	1.5
137.13248	1.5
143.08560	1.8
145.10083	15.8
147.11633	20.8
149.13216	12.6
151.11122	1.2
157.10075	4.2
159.11613	8.7
161.13202	9.4
163.14761	13.4
165.12767	1.1
170.10962	0.7
171.11649	1.7
173.13145	5.5
174.14000	0.9
175.14769	5.1
177.16380	10.0
185.13152	4.2
187.14761	17.5
189.16331	26.3
189.17978	1.3
191.14253	0.8
191.17928	3.1
196.94604	0.8
199.14737	2.7
201.16345	8.4
202.02667	0.8
203.17926	1.8
203.95113	0.8
205.15807	40.4
207.17397	21.9
211.14786	0.8
213.16331	3.0
215.17795	6.3
219.17397	3.9
227.17822	1.8
229.19493	3.7
241.19589	1.2
255.20992	4.8
269.22592	3.4
331.26126	3.2
391.33478	3.0
397.44174	0.8
409.34518	9.7
427.35562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	16.9
57.07056	7.7
62.25401	0.5
67.05489	7.4
69.06679	0.8
69.07043	20.9
71.08607	4.6
79.05450	3.2
81.07030	10.4
83.04938	1.0
83.08592	16.5
85.10162	0.8
91.05436	2.6
92.08732	1.5
93.06999	3.8
95.08570	8.5
97.10125	4.6
102.72681	0.5
105.06998	2.6
107.08562	5.2
109.10119	7.9
111.11684	1.2
119.08533	5.3
121.10120	4.2
122.07212	2.1
123.11650	1.3
125.05920	0.6
131.08566	1.1
133.10068	2.0
135.07982	4.4
135.11684	2.0
137.09576	14.2
143.08495	0.8
145.10080	1.1
147.11636	0.7
149.09586	8.5
149.13214	1.2
149.38110	0.5
151.07561	0.7
157.10167	0.9
159.11626	0.9
161.09529	0.9
162.20854	0.5
163.07481	3.5
163.11096	3.9
163.14700	0.7
165.09053	100.0
173.09578	1.2
173.13164	0.9
175.07449	1.9
175.11166	2.8
176.08331	1.0
177.09000	5.1
179.10628	0.7
187.11133	2.2
189.09076	3.2
190.09816	2.1
191.10512	4.7
201.12674	0.7
202.09848	0.8
203.10603	4.4
203.14149	1.3
205.12181	8.6
215.55267	0.6
217.12167	1.0
219.13808	1.0
231.13763	2.2
275.27042	0.6
289.21457	0.7
350.08875	0.6
427.35541	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	427.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	23.0
56.29197	4.1
57.07041	4.6
67.05465	10.0
69.07034	12.0
81.07009	37.5
83.08586	6.9
84.11184	4.8
91.05423	7.9
93.06998	32.7
95.08572	52.6
105.06988	40.2
107.08557	59.7
109.10104	25.9
119.08540	39.2
121.10089	39.0
123.11598	6.6
124.21894	4.7
131.08492	20.7
133.10081	31.9
135.11630	30.0
145.10077	19.4
147.11623	34.5
149.13228	7.3
149.66856	5.0
157.10117	6.8
159.11627	20.4
161.13264	18.1
163.14752	8.8
177.16330	8.9
185.13019	5.6
187.14777	24.0
189.16325	28.6
199.14766	5.7
201.16292	6.5
205.15761	36.7
207.17361	21.3
307.52182	5.8
409.34149	8.8
427.35559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67549	1.5
55.05489	13.5
55.44313	1.9
57.07047	4.1
67.05477	35.8
69.03410	1.8
69.07046	35.2
79.05463	22.2
81.07021	60.0
83.04979	2.4
83.08592	14.1
85.06509	2.4
86.09663	25.4
91.05452	26.1
93.07008	53.9
95.04955	2.4
95.08572	100.0
97.10134	3.7
105.06995	71.5
107.08556	85.2
107.23793	1.9
109.06460	4.4
109.10123	59.3
111.08056	8.2
117.06989	7.4
119.07732	4.0
119.08538	74.8
121.06458	2.0
121.10098	82.8
123.08035	3.9
123.11642	16.4
128.00757	2.0
128.97429	1.8
131.08533	18.2
133.10080	58.4
135.08057	2.0
135.11655	36.2
143.08519	7.6
145.10094	30.7
147.11656	41.0
149.09547	7.9
149.13219	27.4
157.10080	10.1
159.11635	29.6
161.13188	29.4
163.11118	3.9
163.14754	25.5
165.12659	3.0
171.11617	2.6
173.13203	10.7
175.14764	43.1
177.16336	22.8
185.13200	2.5
186.14832	12.5
187.14754	27.3
189.16299	34.5
191.14175	2.4
191.17854	23.7
199.14783	3.2
201.16338	21.0
203.17894	67.4
205.15846	21.2
213.16382	2.3
215.17879	4.3
217.19432	3.7
219.17311	8.6
223.16911	3.3
229.19379	3.5
231.17386	3.3
237.03522	2.0
237.18436	3.5
241.19432	2.3
249.18294	2.3
259.20386	2.1
315.48715	2.1
391.33206	4.6
409.34482	25.1
427.30597	2.2
427.35602	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	427.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80708	1.0
55.00397	0.7
55.05497	9.7
57.07051	1.9
63.75086	1.0
67.05482	22.4
69.07044	14.8
71.04948	1.1
76.43464	0.9
79.05467	13.9
81.07023	41.5
83.04961	0.9
83.08601	7.0
91.05446	14.8
92.09340	3.0
93.07008	31.7
93.07582	1.2
94.07374	0.9
95.04969	1.0
95.08570	100.0
97.10143	1.9
105.06998	28.2
107.08564	50.1
107.81924	1.0
109.06493	1.9
109.10123	30.3
111.08074	2.2
117.06948	4.4
119.08543	36.2
121.06464	1.2
121.10107	32.3
122.09470	0.9
123.08016	1.6
123.11667	10.2
129.07025	1.3
131.08531	10.9
131.79092	0.8
133.10092	31.0
135.07980	1.6
135.11646	21.2
137.13216	4.7
139.11151	4.0
142.07751	1.1
143.08493	10.6
144.09242	1.0
145.10091	19.7
147.11632	23.7
149.09566	2.0
149.13197	9.6
156.09267	1.3
157.10072	6.9
159.11644	13.5
161.13190	16.2
163.13477	1.4
163.14709	9.4
165.12807	1.1
169.09981	1.7
171.11606	7.9
173.13174	15.3
175.14746	18.0
177.16287	8.9
183.11635	1.7
185.13181	4.5
187.14740	11.9
189.16322	11.6
191.17836	4.5
195.17416	4.6
197.13127	1.7
199.14778	6.9
201.16354	6.8
203.17836	13.2
205.15810	6.1
205.19322	1.2
211.14717	1.9
213.02542	0.9
213.16322	19.1
214.17030	1.4
215.17879	10.8
217.19408	1.4
225.16368	1.8
227.17905	1.6
229.19368	1.1
231.20999	1.4
233.18956	1.0
239.17805	2.0
241.19481	3.6
243.20868	1.5
255.21024	1.6
257.22501	1.8
267.20956	4.6
285.22073	1.0
295.24200	1.9
313.25284	2.2
331.26193	2.3
345.39685	1.1
391.33337	3.7
409.34546	18.7
427.35922	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	427.3561
Annotation	Stigmast 4-ene 3,6-dione
Peak:m/z	Relative Intensity
50.26754	1.0
51.27581	1.0
51.84431	1.1
54.13467	0.9
54.80868	1.0
55.05490	12.2
57.03403	1.1
57.07050	5.5
64.35602	1.0
65.03951	1.2
67.05473	16.4
69.07043	20.0
79.05464	13.8
81.07025	42.2
81.07491	2.3
83.08586	8.0
91.05443	19.2
93.07009	40.4
95.04905	1.6
95.08568	69.4
97.06485	1.6
97.10124	5.4
104.51683	1.4
105.06995	55.6
107.08556	64.7
109.10122	32.5
111.08028	1.6
117.06971	7.2
119.08532	61.2
121.10100	45.6
123.07999	1.7
123.11655	19.8
129.06970	1.5
130.07726	1.3
131.08521	26.0
133.06523	1.5
133.10080	100.0
135.11646	36.7
137.13245	6.2
143.08484	6.0
144.09293	1.6
145.10083	33.2
147.11632	51.0
147.12776	2.1
149.13231	23.8
157.10071	10.5
158.10834	1.8
159.11630	35.5
161.13187	28.2
163.14755	16.5
165.12746	1.2
170.10995	1.8
171.11606	8.4
172.12408	1.4
173.13203	32.0
175.14745	24.3
177.16364	9.0
179.14264	4.5
183.11745	1.9
185.13242	13.0
187.14745	32.4
189.16306	16.3
191.14262	1.5
191.17865	29.2
193.15820	2.0
197.13208	1.5
199.14699	10.0
201.16324	28.0
203.14095	1.7
203.17870	16.6
205.15762	1.6
207.17393	5.5
211.14778	1.7
213.16313	5.1
215.17865	11.1
217.19429	2.6
219.17506	2.1
227.17845	6.9
229.19441	5.3
241.19356	4.8
243.20964	12.6
255.20964	5.6
267.20874	2.1
269.22443	1.5
305.54819	1.3
337.28790	32.2
355.29861	14.5
391.33688	6.8
409.34473	54.3
427.35464	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	427.3562
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
55.05499	10.6
57.03422	2.1
57.07063	4.9
58.98582	1.0
62.49517	1.0
63.53214	1.1
63.85325	1.0
65.03919	1.6
67.05482	20.2
67.11150	1.0
67.71027	1.1
69.03409	1.1
69.07043	19.1
71.04951	6.6
79.05461	17.8
81.07023	38.6
83.04935	1.6
83.08586	9.1
85.06530	1.4
86.09820	1.0
86.21753	1.2
91.05441	12.9
93.07005	43.6
95.04944	14.7
95.08569	75.6
97.06490	5.5
97.10133	5.5
97.34686	1.2
99.08056	1.5
105.06996	32.5
107.08562	65.9
109.06486	5.7
109.10119	39.2
111.08052	5.4
111.11706	2.1
117.07018	2.1
119.08538	100.0
121.06448	1.6
121.10101	44.6
123.08039	7.4
123.11642	18.4
131.08517	16.1
133.10080	39.2
135.07993	15.4
135.11647	39.6
137.09595	2.5
137.13216	5.8
142.07793	1.5
143.08490	2.6
145.10077	39.9
147.11632	22.6
149.09590	2.4
149.13205	19.3
157.10094	7.9
159.11624	28.3
161.09615	1.2
161.13210	28.6
163.14767	17.1
171.11647	6.5
173.13194	22.0
174.14050	1.3
175.14786	12.0
177.12724	2.0
177.16335	7.9
179.14265	6.4
185.13249	5.8
187.14769	23.7
189.12737	1.6
189.16292	14.2
191.14244	1.6
191.17854	22.1
199.14787	6.5
201.16316	12.4
203.14339	1.2
203.17938	11.4
205.15816	7.3
205.19519	1.7
207.17540	1.5
213.16365	2.1
215.17831	2.3
217.19426	2.4
219.17390	6.1
227.17906	1.4
229.19406	1.5
391.33594	7.5
409.34561	21.5
427.35574	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81028	2.3
55.05495	20.2
57.07058	6.5
57.88263	2.3
67.05475	10.4
69.07044	47.7
74.86879	2.6
81.07029	16.9
83.08595	14.0
88.54988	2.4
91.05433	3.5
93.06996	6.1
95.08579	16.1
102.49303	2.5
103.85358	2.7
105.06985	10.6
107.08564	15.4
109.10118	14.5
119.08547	15.1
121.10070	6.0
127.36852	2.7
133.10075	3.6
135.08025	3.8
135.11610	3.2
137.09579	16.7
147.11644	5.9
149.09567	16.8
163.11131	5.0
165.09048	100.0
173.13219	3.6
177.09097	4.7
191.10605	10.6
203.10667	4.2
205.12181	6.2
297.96664	2.8
345.27631	3.1
427.30176	10.5
427.35529	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	427.356
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
51.00362	0.9
52.19463	1.0
53.50077	1.0
55.05490	5.7
57.07046	5.5
67.05472	7.2
69.07043	9.8
79.05452	8.0
81.07029	23.9
83.08601	5.6
91.05439	8.7
91.60489	1.0
93.07006	21.2
95.04923	2.4
95.08569	29.5
97.06461	2.0
105.07002	18.7
107.08561	39.4
109.06471	2.6
109.10148	17.8
111.08035	1.7
114.48496	1.1
114.49268	1.1
119.08540	27.0
121.10105	24.4
123.08001	4.9
123.11658	5.9
127.03904	1.3
131.08528	9.5
133.10098	18.7
135.08061	2.0
135.11653	25.4
137.09590	1.5
139.11194	1.2
143.08504	1.4
145.10077	13.9
147.11650	20.8
149.09554	1.9
149.13248	11.5
157.10152	4.4
159.11644	9.3
161.13185	10.8
163.14793	12.6
173.13222	6.6
175.14789	6.7
177.16316	12.0
185.13168	2.5
187.14777	15.9
189.16318	30.1
191.17839	2.2
201.16255	8.3
203.17969	2.4
205.15834	42.4
207.17366	20.8
213.16350	1.5
215.17931	5.9
219.17458	2.4
223.16971	1.3
229.19528	2.3
241.19360	1.5
243.21080	1.3
255.21005	5.0
269.22430	2.4
324.32449	14.4
409.34647	8.7
427.35599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06377	5.7
55.05488	38.1
57.07045	12.2
67.05479	10.6
69.07034	55.6
71.19739	7.2
79.05458	7.0
80.75503	7.4
81.07015	35.4
83.08588	14.4
85.06521	100.0
87.11926	7.3
91.05456	9.8
93.07001	48.7
95.08556	68.3
105.07025	17.9
107.08556	57.7
109.10111	14.2
119.08519	52.8
121.10099	38.9
123.11699	8.9
131.08524	14.5
133.10088	39.7
135.11668	10.3
145.10042	9.7
147.11667	9.7
149.13289	10.5
157.10034	12.0
159.11613	10.1
161.13245	8.6
165.09033	8.9
173.13200	8.2
185.13206	14.0
201.16316	9.2
229.27605	7.8
234.24974	7.8
409.34839	12.7
427.35388	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	427.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42533	1.2
53.03917	1.6
55.05504	12.4
57.07053	2.8
59.01402	1.1
59.04985	1.4
67.05481	20.9
67.60352	1.3
69.07037	20.8
79.05466	14.9
81.07032	35.0
83.08593	10.6
88.30997	1.3
91.05431	17.9
93.07018	39.3
95.08569	78.9
96.57768	1.3
97.10079	5.3
105.06993	44.1
107.08558	61.8
109.06561	1.8
109.10132	34.2
111.08045	1.5
117.06958	2.1
119.08544	41.5
119.09382	1.8
121.06445	2.2
121.10100	57.0
123.08011	1.9
123.11640	10.2
131.08517	9.7
131.12338	1.3
133.10081	41.8
135.07985	5.0
135.11653	30.5
138.66904	1.6
145.10083	21.9
147.11636	34.6
149.09511	1.9
149.13225	22.7
157.10027	1.7
159.11607	14.3
161.13235	20.3
163.11174	7.6
163.14783	22.1
169.74277	1.7
173.13174	2.5
173.53282	1.6
175.11201	1.5
175.14703	15.8
177.12711	1.9
177.16335	23.6
187.14745	14.0
189.14792	1.4
189.16263	12.7
191.17937	11.7
195.13582	1.5
201.16350	6.1
203.17891	100.0
205.15819	30.3
205.19505	2.1
219.17221	1.6
223.16830	18.3
229.19534	1.7
231.21266	1.6
344.63748	1.5
390.34525	1.6
391.33319	3.0
409.34555	16.2
427.35504	6.7
437.66962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.9
54.82027	2.1
55.01851	4.4
55.05502	45.2
57.07059	3.5
60.89538	2.5
66.35384	2.4
67.05477	23.3
68.04724	2.3
69.07040	31.0
70.82635	2.1
75.25465	2.5
79.05467	24.2
81.07030	41.2
83.08600	29.4
85.06434	2.4
91.05445	23.7
92.09415	5.0
93.07009	59.8
95.04919	3.2
95.08572	77.1
97.06483	3.6
97.10111	3.7
97.34269	2.7
99.08061	4.9
99.59959	2.4
105.07001	51.0
107.08561	100.0
109.06483	3.3
109.10135	32.8
111.08026	3.2
113.09583	3.2
117.06990	4.0
119.08547	76.0
121.10086	50.0
123.07959	2.8
123.11683	11.5
129.06978	4.1
130.07732	2.2
131.08511	30.3
133.10097	46.3
135.07983	9.3
135.11649	40.2
136.22005	2.9
137.13193	2.6
142.07683	3.4
143.08502	16.6
145.10089	42.1
147.11607	37.4
149.09583	2.6
149.13194	12.4
155.08562	2.5
157.10097	16.8
158.10767	4.3
159.11679	33.5
161.13226	21.1
163.11078	3.6
163.14754	16.6
169.10101	4.2
171.11633	15.2
173.13219	24.4
175.14760	11.4
177.16292	3.7
179.14272	3.7
183.11687	4.8
185.13130	20.5
187.14734	30.7
189.16270	27.0
191.17825	9.5
199.14786	16.0
201.16335	15.1
203.17902	10.4
205.15790	5.3
207.17380	5.3
213.16309	10.4
215.17836	6.1
219.17342	3.0
225.16316	2.7
227.17836	11.0
229.19608	2.6
269.18954	3.8
287.19922	12.9
355.26096	10.6
367.29346	2.8
386.91611	2.9
409.34875	24.2
427.30344	31.2
427.35519	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
54.88845	1.2
55.05480	10.0
57.07041	7.9
61.86958	1.6
61.87928	1.3
62.55595	1.4
63.79024	1.4
64.33696	1.6
65.03909	1.6
67.05476	19.7
69.07035	14.8
71.04971	1.6
76.15601	1.7
77.54924	1.5
79.05468	23.5
81.07024	35.2
83.04936	2.0
83.08576	7.6
85.06538	2.3
86.09652	1.9
89.05982	1.8
91.05441	18.1
93.07008	53.0
95.04933	2.3
95.08569	66.1
97.06463	2.1
97.10124	3.2
99.08036	9.7
105.06988	42.5
107.08557	100.0
109.06483	3.9
109.10115	27.1
117.06977	11.5
119.07739	2.9
119.08540	72.5
121.10104	46.9
123.07997	3.6
123.11651	17.6
128.06100	1.9
129.06963	8.4
131.08521	32.6
133.10083	43.3
135.07994	8.7
135.11649	21.3
137.13231	13.3
142.07703	6.9
143.08492	16.2
145.10075	36.0
146.68729	1.9
147.11642	25.5
149.13222	9.6
153.12651	3.0
156.09303	2.8
157.10057	25.5
159.11635	32.0
161.13174	17.6
163.11125	2.0
163.14758	6.3
169.10010	7.1
170.10860	3.7
171.11627	20.6
173.13200	30.1
175.14749	8.2
175.71960	1.6
177.16327	2.3
179.14169	3.1
183.11600	10.8
185.09720	1.8
185.13181	33.2
187.03127	1.7
187.14740	18.6
189.16348	8.8
191.17865	3.4
197.13219	7.3
199.11182	2.2
199.14713	12.9
201.16339	15.5
203.14275	1.7
203.17828	3.9
209.13222	2.3
211.14732	3.4
213.16286	12.2
215.17938	2.9
219.17349	1.9
223.14757	2.5
225.16315	2.9
227.17886	13.7
231.17258	1.8
237.16306	3.6
239.17786	3.1
253.15764	1.8
253.19496	9.2
263.19974	2.0
267.20959	2.1
268.21838	1.7
269.18890	10.2
271.20090	1.7
287.19910	27.6
295.23962	6.4
297.22162	2.2
299.08865	1.8
309.25647	1.9
320.17554	2.0
339.22928	1.8
355.26074	19.4
367.29852	10.4
391.29526	3.2
409.30661	9.9
409.34824	8.1
427.31219	14.8
427.36499	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	427.1951
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
53.03920	3.0
53.62113	1.6
55.01851	2.2
55.05494	3.4
57.07050	1.6
59.04978	6.1
67.05480	2.6
68.84076	1.3
69.03400	17.8
71.78035	1.6
74.91563	1.5
78.04673	1.9
79.05470	9.6
81.07026	6.6
83.04944	15.2
83.08574	1.8
85.02879	3.8
85.06504	2.3
91.05437	15.3
93.03332	2.0
93.06995	20.4
95.04927	8.5
95.08533	2.3
97.02847	3.6
103.29011	1.6
105.06982	12.6
107.04935	7.1
107.08544	25.3
109.02845	18.7
109.06470	14.6
111.04391	3.7
117.06975	10.2
119.08536	13.7
121.06454	36.4
121.10103	6.4
123.04393	2.2
123.07993	2.2
128.06177	3.2
129.06966	7.9
131.08536	15.0
133.10103	11.7
135.08003	62.2
137.05948	3.7
137.09589	2.6
141.06894	3.3
142.07736	2.9
143.08519	8.0
144.09294	8.9
145.06454	8.6
145.10106	12.0
147.07980	2.3
149.05899	2.6
149.09567	16.2
150.10368	1.9
155.08492	1.8
158.10864	12.8
159.02162	1.6
159.07999	10.6
159.11632	24.7
161.05910	2.2
161.09583	3.4
163.07454	21.8
163.11162	2.5
167.06966	10.1
168.09233	2.2
169.08572	2.2
171.07977	3.8
172.08789	8.5
173.09599	14.6
173.13184	39.2
177.12466	1.6
183.11646	7.9
185.09552	9.8
186.10313	19.9
187.07501	2.4
187.11102	70.6
189.09113	1.9
191.06882	15.1
193.10173	1.9
196.08818	3.5
198.06731	10.5
199.07475	3.9
201.10844	2.1
201.12674	51.4
205.12207	11.9
210.06697	1.8
211.11215	8.6
213.09050	7.8
215.10524	1.9
219.13719	8.6
229.12119	48.1
229.14224	2.0
245.09650	2.0
247.13162	100.0
265.14304	2.2
281.52396	1.8
286.46780	1.8
307.09412	1.8
321.11172	2.4
323.09055	2.5
338.11011	2.7
351.12167	3.8
365.13742	3.0
369.13309	2.3
381.13589	1.9
384.15598	23.8
409.16391	4.1
427.17386	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	427.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65833	0.1
55.01869	0.2
55.05291	0.1
55.05495	2.1
57.03406	0.4
57.04526	0.6
57.87967	0.1
61.02912	0.1
64.59811	0.1
69.03400	0.7
69.07030	0.2
71.01263	0.1
71.04969	0.2
72.78343	0.1
73.02879	0.3
79.93661	0.1
81.03406	0.2
85.02861	0.8
85.06509	0.1
94.04001	1.6
96.05555	0.2
97.02802	0.4
97.10126	3.3
107.08540	0.5
109.02810	0.2
112.05040	0.1
115.03912	0.1
115.11153	1.3
123.04382	0.3
123.06635	1.0
125.09564	0.5
133.05016	0.3
133.12202	0.5
135.05339	0.2
136.20618	0.1
139.03841	0.2
143.10655	0.9
144.10973	0.2
147.04407	0.2
148.06125	0.2
150.07704	100.0
151.08060	0.2
163.03781	0.1
243.10387	0.1
264.11966	0.1
273.85037	0.2
282.11792	0.3
295.11383	11.6
308.34622	0.1
427.19223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.9
53.03925	3.3
55.01848	4.3
55.05493	3.2
55.52655	0.5
57.03417	30.8
59.04969	1.4
60.04507	0.8
61.02903	11.6
64.19174	0.5
67.05470	1.3
68.99769	0.8
69.03402	56.1
69.07043	6.5
71.01316	1.3
71.04961	3.6
73.02885	37.9
75.04442	1.4
81.03388	11.0
81.07008	2.2
83.08585	2.5
85.02871	100.0
87.00800	9.0
87.04434	20.4
91.03909	2.4
91.05427	0.7
93.07053	0.8
95.04906	0.7
97.02850	55.1
97.06491	1.0
97.10144	1.3
99.04411	6.5
100.11243	0.9
101.47472	0.6
103.03941	0.9
103.05373	0.6
105.01831	6.1
107.08579	0.7
109.02837	12.4
114.44275	0.5
115.03886	29.5
115.11195	1.2
119.81865	0.6
123.04439	0.6
127.03858	26.3
131.04927	0.5
133.04910	16.8
143.14275	0.8
145.04915	22.5
147.11711	0.8
150.07559	3.2
159.02744	1.0
161.15393	1.0
163.05956	8.9
169.04730	0.7
206.26979	0.6
213.03957	0.9
223.05890	1.2
231.04953	3.5
241.07030	0.9
246.59048	0.6
258.50009	0.6
259.07983	2.5
277.16245	1.3
295.10178	2.8
408.07507	0.8
426.08612	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	426.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
55.05497	1.8
57.03419	2.3
59.04969	2.4
61.02891	1.9
67.05476	1.9
69.03407	6.0
69.07032	2.7
71.04948	1.3
73.02911	4.2
77.03895	1.0
79.05472	5.0
81.03386	1.4
81.07030	4.2
83.04959	1.1
83.08586	2.5
85.02884	14.4
85.06497	1.2
87.04443	2.3
91.05459	14.9
93.07011	6.7
95.04929	1.6
95.08583	2.5
97.02844	6.3
97.06524	2.1
97.10133	2.1
103.05431	18.1
105.07004	7.4
106.04150	4.3
107.04927	25.9
107.08549	4.4
109.02866	1.5
109.06493	1.3
115.03873	3.8
115.05409	2.4
117.06976	2.3
118.04116	1.9
119.04897	7.2
119.08546	1.8
120.05735	1.3
121.06443	13.9
121.10056	1.2
123.04384	4.8
123.08018	1.9
123.11697	1.3
124.05222	1.2
124.07594	1.1
127.03893	2.2
129.06953	5.8
131.04881	13.1
131.08504	4.1
132.05669	2.5
133.04924	1.6
133.06458	2.2
133.10069	1.4
134.03574	2.3
135.08018	6.8
137.05899	9.3
145.04927	4.1
145.06519	1.3
146.07230	4.5
147.04388	1.7
147.11655	8.2
148.05156	7.7
149.05905	9.7
149.09488	1.5
151.07497	4.8
153.08998	1.6
157.06432	1.9
157.10172	1.3
158.11633	1.2
160.05196	1.3
161.05923	100.0
161.09546	23.5
163.03876	1.4
163.07486	26.8
165.05490	3.5
165.12708	2.0
167.06982	33.6
167.08418	2.1
174.06691	4.7
175.07458	8.7
175.11111	1.3
176.04659	1.5
177.05426	10.1
179.06937	2.4
180.07732	9.8
181.08525	12.0
189.09056	55.7
191.06952	14.1
192.06339	1.2
192.07697	9.7
193.12155	1.6
205.69116	1.1
206.42749	1.0
207.10095	51.5
208.96809	1.1
209.06233	1.1
209.07901	7.7
219.10143	2.1
224.08382	1.1
229.14268	14.8
241.08543	1.6
247.15410	1.2
285.11038	1.8
315.11993	1.9
317.13571	2.0
341.13770	2.5
343.15286	1.4
361.16400	14.1
373.16772	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	426.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.8
56.58377	1.0
57.03407	5.8
61.02888	1.4
67.05466	1.0
67.15788	1.1
69.03393	5.2
69.07040	14.3
70.24865	1.0
73.02898	9.7
79.05446	4.8
85.02869	10.2
88.95174	1.0
89.97483	1.0
97.02846	8.4
97.06491	100.0
109.02839	1.5
111.04430	1.1
115.03898	2.7
115.07526	63.7
127.03876	2.8
133.04845	1.2
135.04381	1.2
145.04875	1.6
147.04327	1.8
163.03914	1.6
189.09229	1.3
238.58646	1.1
246.89119	1.2
259.11493	1.4
268.87564	1.3
277.12732	8.8
329.03732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
54.81187	0.5
55.01847	2.6
55.05481	0.7
55.45388	0.5
57.03396	0.8
63.75154	0.4
65.03925	0.7
66.85464	0.5
67.05463	0.9
69.03402	1.3
79.05461	4.0
81.07037	2.1
83.08588	1.1
85.02873	3.3
87.04433	0.6
91.05441	13.9
92.08701	0.8
93.03368	2.3
93.07008	4.1
95.04928	2.7
96.48870	0.6
97.02850	0.9
103.05425	14.8
104.06236	0.9
105.06995	6.6
106.04115	5.4
107.04208	1.1
107.04919	25.5
109.02843	0.8
110.06018	1.0
115.03857	0.7
115.05412	3.0
117.06954	1.3
118.04063	1.5
119.04869	3.2
120.05723	0.9
121.06442	10.9
122.03597	0.8
123.04397	2.4
124.05182	1.0
125.05968	1.2
125.09572	0.9
127.03840	0.9
128.06219	0.8
129.06944	6.8
130.07758	0.6
131.04877	13.5
131.08513	3.3
132.05684	6.3
133.06444	3.0
134.03575	1.2
135.07991	6.0
137.05931	5.3
137.06805	0.6
138.06775	0.6
145.06442	1.1
146.03543	0.6
146.07170	4.7
147.04379	1.2
147.08017	0.8
148.05125	7.2
149.05919	11.4
151.03900	0.9
151.07458	4.1
153.05426	0.9
153.09111	1.0
154.06293	0.5
157.06461	1.4
158.67999	0.6
159.04355	1.1
160.05112	2.2
161.05919	100.0
161.09549	27.4
163.03929	1.2
163.07480	23.6
165.05408	4.0
165.09192	0.6
166.06200	1.0
167.06969	29.1
174.06717	4.6
175.07462	7.2
176.04642	1.0
177.05409	9.0
177.09117	1.1
179.06956	3.6
180.07747	11.3
181.08530	14.0
189.09038	50.2
190.40759	0.6
191.06953	11.5
191.08481	1.0
192.07727	11.4
192.09314	0.9
195.07986	0.7
207.10097	45.0
209.07951	3.9
219.10100	2.2
225.09059	1.3
247.07565	0.6
253.08481	0.9
257.11523	0.8
264.11777	0.6
265.08606	0.7
283.09570	0.7
285.11099	3.2
291.71170	0.5
315.12146	1.0
317.13733	3.7
341.13678	3.1
343.15363	4.7
361.16299	16.9
373.16644	3.8
377.01981	0.8
427.62692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05494	14.0
57.07059	12.1
58.07367	0.9
58.79677	0.8
67.05480	23.4
69.07041	26.1
69.71563	0.8
70.07381	1.4
71.08595	2.3
74.26175	0.8
75.50886	0.9
79.05460	13.5
81.07022	74.3
83.08591	8.2
89.06021	3.5
91.05445	10.9
93.07005	24.0
95.08566	100.0
97.10136	5.2
105.07001	24.3
107.08555	33.3
109.06499	1.1
109.10122	34.8
111.11693	1.5
117.06997	6.1
119.08535	21.2
121.10101	24.8
123.11658	20.0
129.06944	2.3
131.08536	10.6
133.08543	1.7
133.10083	20.3
135.08023	1.6
135.11635	18.1
137.13200	32.3
143.08502	4.5
145.10068	17.1
147.11629	14.0
147.81743	0.9
149.02303	22.7
149.13229	12.2
150.02634	12.7
151.18272	0.9
156.09241	1.0
157.10101	4.8
159.11617	10.4
161.13202	11.1
163.14784	7.0
167.03365	0.9
171.11632	5.9
173.13188	8.6
175.14761	4.9
177.16330	2.3
185.13106	7.5
187.14769	5.5
189.16339	10.8
191.17918	6.2
199.14758	4.3
201.16318	7.3
203.14297	4.2
203.17957	4.9
205.15811	4.5
205.19455	2.0
213.16365	2.0
215.17914	5.5
217.19550	4.6
219.17426	1.3
225.16223	1.0
227.17894	4.0
229.19347	1.7
233.18898	1.8
240.15251	1.5
241.19470	1.1
257.22546	4.2
269.22583	2.2
283.24152	2.0
287.23538	1.1
333.75833	1.2
407.36963	9.9
425.21292	2.0
425.33142	4.5
425.38474	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	425.3768
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.03629	1.0
52.40704	1.1
53.00285	1.7
53.03918	1.3
54.80860	1.4
55.05495	18.4
55.43325	1.2
57.07055	9.0
57.63211	1.2
65.03893	1.6
67.05486	28.4
69.07043	51.3
71.04963	5.9
71.08617	1.6
79.05469	18.0
81.07026	100.0
83.08578	13.0
89.05981	1.6
91.05432	14.3
93.07008	45.4
95.04889	1.9
95.08575	73.1
97.10149	5.2
105.06999	37.8
105.93841	1.5
107.07888	2.7
107.08566	53.3
109.10122	58.7
109.10862	2.1
111.11710	2.0
117.06976	2.5
119.08547	37.1
121.09278	2.7
121.10108	60.8
121.10995	2.2
123.11668	24.7
125.09568	1.4
127.11156	6.5
131.08522	9.2
133.10101	25.2
135.11653	33.3
137.13203	10.7
143.08548	1.8
145.10072	17.3
147.11646	28.6
149.13228	17.3
153.12746	2.3
157.10037	2.6
159.11620	22.5
161.13191	20.0
163.14757	8.4
171.11629	6.9
173.13174	13.2
175.14760	13.9
177.16335	8.9
185.13126	1.8
187.14729	7.1
189.16330	14.8
191.17868	8.8
197.66078	1.5
199.14735	2.1
201.16374	5.2
203.17871	8.8
213.16365	1.8
215.17935	3.1
217.19482	6.1
229.19394	7.3
231.20995	1.7
243.20944	1.9
257.22479	2.7
266.11835	1.5
271.24075	2.2
283.23941	1.5
285.25562	1.5
315.26764	1.9
330.39294	1.5
339.30249	1.9
407.36722	10.2
425.37744	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3768
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.53662	1.5
53.00278	3.2
54.81148	1.8
55.05494	27.6
57.07057	15.2
59.39197	2.3
64.55333	1.8
67.05480	46.9
69.07039	54.7
71.04973	4.6
79.05449	22.1
81.06549	4.9
81.07024	94.7
83.04939	2.4
83.08588	20.3
89.05995	11.0
91.05436	23.8
91.87776	2.0
92.09437	4.7
93.07013	71.6
95.04945	2.4
95.08569	100.0
97.06496	4.3
97.10136	17.8
105.06995	40.8
107.08559	92.3
109.10117	78.9
111.08003	2.5
111.11679	4.7
117.20183	1.9
119.08533	55.2
121.10104	61.8
123.11652	36.6
127.11137	3.6
130.07588	2.0
131.08510	17.3
133.10069	48.5
135.11636	58.8
137.13202	15.5
143.08548	2.6
145.10074	24.6
147.11664	41.2
149.13205	34.2
157.10121	2.1
159.11609	26.2
161.13208	27.0
163.14748	17.1
165.12679	2.7
171.11670	4.0
173.13231	18.2
175.14731	21.5
177.16290	15.8
179.14316	2.4
179.52518	1.9
182.40913	2.2
185.13190	4.6
187.14761	16.3
189.16304	15.7
191.17882	9.0
195.17395	2.7
199.14803	2.9
201.16356	9.3
203.17915	11.9
215.17860	8.8
217.19431	11.3
229.19333	4.6
231.21059	12.8
239.14824	2.9
257.22687	3.8
259.24130	4.3
271.24179	3.5
299.27209	2.4
338.58636	2.2
357.41080	2.1
407.36496	12.9
425.37646	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3769
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05494	16.4
57.07056	5.5
67.05476	24.8
69.07041	32.4
71.08595	1.4
79.05463	15.0
81.07023	58.2
83.04942	2.5
83.08599	11.9
91.05434	18.2
92.08690	1.6
93.07008	56.7
93.07581	2.1
95.04946	2.3
95.08569	100.0
97.01616	1.1
97.10115	8.3
99.08037	4.0
101.12827	0.9
104.68713	1.0
105.06999	39.7
107.08558	78.6
109.06522	1.6
109.10116	55.1
109.10866	2.0
111.08072	1.8
111.11709	1.6
116.26955	1.1
117.06966	5.0
119.08534	49.8
121.09402	1.2
121.10097	63.3
123.08050	4.1
123.11659	29.0
131.08514	8.6
133.10078	37.8
135.11647	69.9
137.13210	19.3
143.08516	4.3
145.10075	17.9
147.10497	1.4
147.11650	28.4
149.09592	1.2
149.13211	28.5
151.11153	1.1
151.14796	1.8
157.10066	5.8
159.11629	13.3
159.28102	1.0
161.13176	29.5
163.14754	20.2
169.10046	1.4
171.11658	6.4
173.13242	10.7
175.14780	14.0
177.12794	1.2
177.16319	10.2
179.14262	6.0
185.13243	4.1
187.14771	7.9
189.16312	19.1
191.17877	16.3
197.13028	1.8
199.14857	2.7
201.16338	10.1
203.17871	17.0
205.15739	1.7
205.19418	7.9
207.17422	1.4
211.14673	1.3
213.16367	1.7
215.17928	6.5
217.19408	22.9
227.17938	1.9
229.19453	5.0
231.21213	1.3
233.19002	1.5
235.20621	1.3
243.21135	2.1
245.22578	6.4
255.21022	1.8
269.22534	1.9
273.22116	1.7
395.14676	2.0
407.37054	12.6
425.38007	50.6
426.38153	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	29.7
63.39638	5.7
65.76888	6.0
67.05474	36.4
69.07047	54.1
79.05470	30.1
81.07027	100.0
83.08606	7.1
89.06005	38.2
90.56481	7.5
91.05438	13.7
93.07011	57.4
95.08565	98.0
102.86232	6.2
105.06990	51.9
107.08561	85.5
109.10137	93.5
119.08542	60.5
121.10113	43.1
123.11656	29.4
131.08542	13.2
133.10114	32.0
135.11659	14.2
143.08499	7.7
145.10120	8.9
147.11630	29.8
149.13211	12.2
149.15704	7.0
159.11647	8.3
161.13283	13.4
163.14722	11.7
173.13260	30.7
175.14764	10.6
177.16287	8.4
189.16277	7.3
203.14336	14.6
215.17995	10.1
425.21475	9.1
425.33737	35.8
425.38162	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	425.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76586	0.9
53.03924	1.5
55.05270	1.2
55.05491	17.7
56.81550	0.9
57.07056	7.6
64.50153	1.0
67.05153	1.8
67.05480	33.8
67.73832	0.9
69.03368	1.1
69.07044	28.2
71.08578	1.1
72.56133	0.9
79.05457	16.2
79.91888	0.9
81.07022	74.2
83.08604	10.3
85.06528	1.3
89.05122	0.9
89.05981	1.1
91.05440	14.3
93.07003	57.1
95.04921	1.9
95.08567	100.0
97.06484	4.3
97.10134	6.4
99.08038	1.6
105.06993	39.4
107.08557	68.6
109.06462	2.4
109.10117	71.2
111.08016	2.1
111.11710	1.3
117.06961	4.9
119.08538	46.7
121.10095	56.7
123.08041	1.4
123.11663	29.5
125.09568	4.5
127.11186	1.4
131.08539	11.0
133.06258	1.0
133.10074	30.4
135.07994	2.2
135.11644	43.5
137.13214	13.5
143.08496	4.7
144.09227	1.3
145.10063	14.7
147.11639	27.3
149.13217	22.0
157.10081	4.5
159.11638	14.5
161.13193	26.6
163.14752	15.6
165.12692	1.4
171.11667	4.5
173.13167	10.5
174.93134	1.2
175.14764	12.8
177.14903	1.2
177.16335	6.1
179.14256	4.1
183.11656	1.5
185.13216	1.9
187.14717	8.2
189.12555	1.3
189.16356	16.0
191.17865	25.6
197.13203	1.9
199.14729	4.7
201.16316	8.8
203.17877	16.9
205.15829	2.3
205.19489	5.7
207.17368	5.6
213.16307	2.0
215.17850	6.3
217.19398	17.0
219.20952	1.5
225.16267	1.2
229.19380	4.1
235.20428	1.3
239.17871	1.3
243.21019	1.1
245.18939	1.3
245.22514	1.4
253.19266	1.5
257.22586	1.6
407.36920	13.0
425.32675	3.7
425.38147	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	425.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	19.1
63.48652	2.0
64.66752	2.2
65.55492	2.6
67.05486	31.7
69.07042	30.4
74.71145	2.1
77.19746	2.1
79.05456	26.2
81.07024	58.0
83.08585	6.4
85.06445	2.6
87.20000	2.6
91.05431	20.1
93.07008	57.2
95.04959	3.1
95.08575	89.3
99.08058	14.3
99.63068	2.7
105.06993	56.3
107.08557	100.0
109.10123	60.1
117.07013	3.8
119.08542	80.6
121.06454	2.6
121.10098	59.2
123.11649	24.1
131.08514	27.2
133.10068	47.7
135.07945	5.8
135.11656	47.0
137.13216	5.6
142.07800	3.0
143.08531	6.0
144.09242	3.1
145.10081	35.0
147.11661	49.2
149.13191	26.1
151.66876	2.6
157.10069	12.5
159.11681	31.3
161.09555	3.1
161.13234	22.7
161.14365	2.5
163.11098	4.7
163.14735	15.0
169.10071	2.8
171.11652	5.1
173.13199	19.1
175.11171	4.0
175.14787	13.1
177.12633	2.8
177.16278	5.1
179.14250	6.0
182.10829	3.0
183.11615	3.5
185.13177	12.5
187.14749	22.2
189.16383	13.9
191.17882	18.4
197.13210	3.3
199.14787	5.3
201.16336	25.8
203.17886	15.7
205.15804	5.8
205.19385	3.0
207.17363	5.3
211.14870	2.9
213.16330	3.6
217.15707	3.3
217.19424	13.8
227.18016	3.7
229.19359	2.8
241.19444	3.6
320.33771	2.6
353.28564	3.0
407.32755	13.7
425.32965	20.5
425.38263	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	425.3765
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03920	1.7
55.05490	15.6
57.07062	6.8
60.19443	0.8
62.30768	0.8
64.51004	0.8
66.67692	1.3
67.05479	35.4
67.41278	0.8
69.03414	1.1
69.07042	24.4
71.08585	1.1
79.05457	19.7
81.07018	72.4
81.91994	0.9
83.08586	13.4
91.05430	11.5
92.09307	1.1
93.07004	48.1
95.04924	1.8
95.08564	100.0
97.06508	5.3
97.10101	8.9
105.06985	33.2
107.08549	71.5
109.06503	1.5
109.10114	70.4
111.08103	1.2
111.11651	3.7
117.06980	2.0
119.08532	41.3
121.10091	50.1
123.08009	4.4
123.11646	26.4
125.09563	5.9
129.06921	1.4
131.08522	8.7
131.09332	1.1
133.10083	30.2
135.07961	1.0
135.11639	43.9
137.09607	1.2
137.13193	20.9
144.73378	1.0
145.10065	11.8
147.11646	29.0
149.13199	28.5
151.11122	1.4
151.14801	1.2
157.10074	4.8
159.11630	14.4
161.13185	26.6
163.14757	13.8
165.12872	1.2
171.11639	1.3
173.13159	9.5
175.14780	11.5
177.12656	1.1
177.16313	5.2
179.14212	4.4
185.13161	1.2
187.14722	6.7
189.16296	17.9
191.17870	25.5
199.14819	1.4
201.16333	9.2
203.17819	14.9
205.19472	5.3
207.17374	6.3
213.16159	1.5
215.17949	7.2
217.19418	19.2
219.21138	1.2
227.17970	1.6
229.19438	1.2
231.21048	1.7
233.18869	1.9
243.20972	3.4
245.22578	1.1
257.22498	3.4
257.82349	0.9
269.22519	1.0
299.27350	1.7
396.58521	1.0
407.36627	11.3
425.37738	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3768
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.31756	2.6
54.90276	2.7
55.05497	33.1
55.43951	2.5
57.07069	22.3
57.39994	2.3
62.94164	2.6
67.05482	38.4
69.07042	51.6
70.26597	2.6
71.04974	3.5
71.45398	2.8
79.05463	21.2
81.07021	100.0
82.39688	3.0
83.08600	41.4
87.68584	2.9
89.05995	12.1
90.06321	3.0
91.05450	19.0
93.07014	48.6
95.04955	4.0
95.08576	87.5
97.10122	12.0
103.81696	3.1
105.06989	41.2
107.08562	69.2
109.10131	83.8
117.51399	3.2
119.08548	54.3
121.10108	51.8
123.11655	41.3
127.11169	4.2
131.08525	23.4
133.10057	31.7
135.11635	55.2
137.13225	14.8
143.08537	7.8
145.10069	29.5
147.11655	39.6
149.13203	27.7
157.10069	6.3
159.11632	35.9
161.13187	33.8
163.14737	13.9
171.11613	7.0
173.13184	19.4
175.14754	6.8
177.16359	6.5
185.13187	6.3
187.14810	14.1
189.16371	11.7
191.17918	25.3
199.14751	5.1
201.16360	13.3
203.17920	20.5
213.16298	7.8
215.18011	15.4
217.19447	7.3
227.18044	4.2
229.19418	11.7
239.14803	4.4
241.19435	6.8
243.21193	5.1
255.21001	12.6
259.24030	3.8
269.22525	13.9
287.23599	15.9
363.26703	3.3
407.36536	12.7
425.37842	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05357	4.1
54.75631	4.9
54.81104	5.8
55.05495	41.5
57.07050	22.0
67.05475	36.4
69.07047	43.4
71.08597	9.6
76.55489	5.9
79.05467	11.6
79.22000	5.1
81.07023	65.2
83.08601	13.6
89.05998	33.2
91.05441	10.1
93.07022	40.3
95.08560	100.0
97.10131	12.2
105.07007	56.4
107.08549	72.2
109.10107	74.3
111.08020	6.5
119.08549	70.0
121.10104	71.7
123.11687	32.0
125.26665	4.7
131.08522	12.4
133.10106	66.5
135.11646	55.6
137.13235	7.4
145.10095	26.6
147.11653	41.8
149.02266	9.4
149.13214	30.6
150.02678	8.0
157.10101	5.7
159.11646	22.1
161.13176	45.6
163.14781	10.2
173.13222	7.2
175.14821	21.8
177.16310	6.2
189.16280	45.2
191.17841	6.4
201.16344	11.1
203.17888	30.7
211.70345	6.9
217.19402	6.5
239.14752	9.3
257.22678	9.2
313.88940	5.0
355.19598	5.4
365.08566	5.7
368.65131	5.7
407.36838	10.7
425.37766	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	425.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06128	0.8
55.05489	7.1
57.07049	1.2
65.55589	0.7
67.05482	43.6
69.07038	8.7
79.05480	6.4
81.07027	21.5
83.08615	2.8
84.66633	0.6
91.05435	5.5
92.09363	2.3
93.06999	12.9
95.08569	19.0
105.06998	13.7
107.08571	16.7
109.06433	0.9
109.10123	100.0
117.06898	1.1
119.08546	16.1
121.10104	12.7
123.11651	4.1
131.08525	1.8
133.10080	10.0
135.11626	9.4
137.13237	0.9
143.08585	1.0
145.10123	6.5
147.11633	8.8
149.13219	3.3
157.10091	1.6
159.11641	5.4
161.13188	5.7
163.14786	3.8
169.10065	0.9
171.11682	1.4
173.13263	3.5
175.14790	3.2
177.16318	1.2
183.11649	1.2
185.13216	1.2
187.14784	3.1
189.16342	5.1
191.17812	1.4
199.14699	1.8
201.16310	1.5
203.14290	1.5
203.17909	4.9
207.17409	1.3
213.16342	1.1
215.17943	1.0
217.19516	3.7
229.19629	0.8
241.19504	0.8
252.33632	0.9
407.32721	3.9
425.33429	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	425.3403
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05490	4.5
58.93221	2.3
64.87527	2.2
65.28213	2.2
67.05462	4.5
69.07053	9.7
71.33961	2.3
79.05456	4.8
81.07017	16.3
89.05994	15.3
91.05449	4.1
93.07012	13.7
95.08559	18.0
97.10094	3.4
105.06989	14.5
107.08550	19.2
109.10121	10.7
119.08514	17.4
120.99545	2.4
121.10103	15.8
123.11625	4.8
131.08560	4.1
133.10094	15.8
135.11655	11.9
145.10086	12.0
147.07993	5.9
147.11636	9.8
157.10005	3.9
159.11650	5.7
161.13211	5.9
163.14795	3.6
173.13234	3.4
177.12740	9.1
185.13251	3.5
187.14713	5.2
189.12749	9.9
189.16338	3.3
199.14818	2.9
201.12691	13.9
201.16367	3.2
203.14252	52.7
203.17915	9.7
205.15800	33.7
215.14334	3.1
217.15927	4.5
239.14813	4.2
373.41479	2.7
407.32797	10.2
425.21219	4.2
425.33984	100.0
440.64413	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	425.3405
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.96802	3.0
55.05494	29.0
57.07050	6.7
67.05476	37.7
69.06748	3.0
69.07050	39.9
79.05450	33.6
81.07021	58.2
82.34692	3.6
83.08588	7.9
85.06512	4.2
89.05991	6.5
91.05434	36.4
93.07018	66.8
95.08572	85.3
99.08048	20.4
105.06985	57.8
107.08561	99.0
109.06498	6.6
109.10126	76.4
111.08028	4.2
116.58923	3.9
117.06979	7.7
119.08530	88.0
121.10105	58.7
123.08019	4.8
123.11680	14.5
123.92648	4.3
129.06972	7.3
131.08536	36.7
133.08453	4.0
133.10071	68.1
135.11655	48.1
142.07703	5.4
143.08542	21.2
145.10107	48.7
147.07933	4.3
147.11630	51.1
149.13216	21.9
155.08545	5.0
157.10091	24.3
159.11629	50.5
161.13208	23.8
163.14752	15.2
169.10161	11.6
171.11667	15.8
173.13211	32.5
175.11203	4.3
175.14772	24.8
177.12642	5.4
177.16322	16.6
183.11620	19.8
185.13208	20.3
187.14740	30.9
189.16315	23.9
191.17902	7.6
195.11736	5.4
197.13226	5.4
199.14771	22.6
201.16307	31.9
203.14262	4.9
203.17918	4.3
205.15804	6.5
206.16179	4.3
211.14685	5.5
213.16376	15.6
215.17839	16.3
217.15854	5.7
217.19366	4.5
219.17380	7.7
225.16298	4.4
271.20425	5.1
285.22000	8.1
407.33023	44.9
425.33990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3403
Annotation	Maragenin II
Peak:m/z	Relative Intensity
54.62595	2.1
55.05495	21.2
57.03408	2.3
57.07059	4.5
58.31152	1.8
67.05473	22.7
69.03412	9.1
69.07043	35.4
69.45020	2.6
79.05463	19.4
81.07021	41.4
83.04947	4.8
83.08592	13.1
83.96759	2.5
85.06535	3.0
90.81055	2.1
91.05436	25.1
92.09415	5.1
93.07009	58.8
95.04951	4.2
95.08573	85.3
97.10124	3.4
105.04432	2.7
105.06992	61.6
107.08562	88.0
109.06499	4.7
109.10120	30.3
111.08061	3.3
113.06054	2.8
113.09622	2.7
117.06982	8.9
119.08537	100.0
121.10107	54.8
123.08045	9.8
123.11652	19.4
129.06958	5.3
131.08551	33.7
133.10097	55.4
135.07976	3.5
135.11667	35.9
137.13199	9.5
137.14227	2.6
141.06955	3.2
142.07722	5.4
143.08481	23.8
144.09271	3.5
145.10083	46.4
147.08002	4.9
147.11646	36.9
149.13235	11.7
155.08516	10.0
156.09291	12.4
157.10072	38.4
158.10800	3.6
159.11624	39.8
161.13188	45.6
161.57050	2.5
163.11195	2.3
163.14778	12.1
165.12758	18.8
169.10089	11.9
170.10860	4.7
171.11617	29.1
173.13239	23.6
175.11140	2.9
175.14774	20.2
177.12631	5.0
177.16296	4.6
179.14258	8.5
183.11678	22.5
185.13190	23.0
187.14792	29.0
189.12697	4.3
189.16295	51.1
191.14238	11.2
191.17857	2.9
193.15784	5.7
195.11703	3.2
197.13177	15.9
199.14742	33.3
201.16280	20.7
203.14230	12.7
203.17857	4.0
205.15799	12.7
207.06470	3.2
207.17404	11.6
209.13216	3.7
211.14726	12.7
213.16296	15.5
215.17856	5.5
217.15797	15.0
217.19453	2.5
219.17381	4.6
225.16260	9.5
227.17928	8.8
229.15755	3.0
229.19501	4.9
229.58653	2.7
231.17390	3.6
239.17838	4.4
245.18938	4.5
251.18030	3.8
253.19446	18.4
255.20769	4.9
257.18878	3.8
259.20538	4.3
267.21054	5.1
269.18945	5.1
271.20395	14.5
273.22021	44.9
283.20526	3.1
285.22168	22.5
373.10156	2.6
389.31824	12.8
407.32968	50.6
425.34079	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3404
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
55.05499	5.3
57.07050	0.8
67.05480	11.7
69.07047	12.0
71.12588	0.4
72.55359	0.4
79.05461	4.2
80.23054	0.5
81.07030	18.6
83.04954	0.5
83.08569	3.0
89.05991	1.0
91.05450	1.6
92.09306	0.5
93.07009	4.3
95.08569	12.2
97.10122	1.1
105.06992	1.9
107.08572	5.3
109.10124	11.9
119.08541	4.4
121.10102	2.9
122.07256	1.1
123.11655	2.7
127.52130	0.4
131.08522	0.9
133.10103	1.1
135.08005	2.1
135.11647	1.8
137.09584	14.8
137.13188	0.9
145.10138	1.7
147.11681	0.9
149.09579	3.8
149.13263	1.0
151.07469	1.9
151.59373	0.5
157.10146	0.8
163.11113	1.1
165.09059	100.0
173.09404	0.6
173.13272	0.6
175.07509	1.1
175.11072	0.8
177.09021	1.9
179.10657	0.7
189.09068	2.5
191.10632	1.9
203.10588	3.9
203.14182	1.1
205.12166	5.5
216.11353	0.5
217.12183	1.1
231.13751	1.1
239.14848	0.7
242.61740	0.5
317.55612	0.5
425.34045	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	425.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	14.1
56.17889	1.7
57.07048	4.4
60.76513	1.9
64.32424	1.6
67.05472	16.3
69.07046	16.6
79.05453	28.0
81.07014	42.5
83.08581	10.7
85.06496	3.3
91.05450	35.7
93.07007	74.9
95.04919	4.1
95.08567	63.1
99.08067	24.7
105.06992	55.8
107.08558	100.0
109.10125	24.1
111.08052	4.2
117.06951	11.7
119.08540	78.3
120.56593	1.8
121.10114	36.7
123.11661	14.5
127.76319	2.0
128.06187	3.7
129.06946	11.1
129.40561	2.2
130.07788	2.4
131.08528	36.1
133.10060	48.5
135.11646	26.3
137.13197	8.5
141.06879	4.9
142.07712	12.0
143.08511	25.6
145.10078	44.0
147.11639	73.2
149.13216	9.8
153.12619	2.1
155.08495	9.6
156.09259	8.0
157.10060	40.7
158.10847	4.2
159.11646	44.7
161.13206	21.8
163.14708	3.7
168.09299	2.9
169.10025	19.0
170.10811	4.8
171.11604	36.7
173.13197	34.6
175.14742	12.8
177.16344	3.8
179.14326	3.9
183.11572	20.8
183.90300	2.1
184.12363	2.6
185.13208	19.7
187.14752	28.1
189.16290	9.7
191.17868	3.1
195.11661	2.9
197.13188	15.9
199.14767	46.7
201.16319	12.8
203.14275	2.5
209.13315	2.5
211.14737	11.4
213.16269	20.4
215.17889	3.3
217.19296	2.2
219.17329	3.1
225.16234	9.8
227.17891	10.5
229.19336	4.7
231.17395	2.5
239.17717	3.3
241.19466	2.9
253.19395	7.9
255.20903	2.5
261.22122	2.3
267.21048	4.3
271.20517	4.0
285.21945	26.8
335.27182	12.0
337.25119	2.6
353.24728	2.1
353.28278	27.6
389.31653	3.3
407.32971	34.3
425.34073	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81475	1.5
55.05487	24.6
57.07043	10.0
61.92394	1.6
62.43764	1.5
64.79408	1.5
67.05474	23.2
69.07037	23.9
71.04958	1.8
71.08598	1.7
79.05439	23.9
80.35889	1.7
81.07018	56.7
81.84055	1.7
83.08570	12.2
83.54205	1.6
85.06519	4.1
91.05431	35.4
91.32313	1.7
93.06996	77.5
94.07281	1.6
95.04915	4.1
95.08565	88.0
99.08049	25.4
104.76434	1.9
105.06988	54.8
107.08553	100.0
109.06503	3.7
109.10116	37.9
110.72646	1.7
111.08048	11.8
117.06979	15.9
119.08533	87.8
121.06464	2.1
121.10100	56.0
123.11671	17.9
128.06227	2.4
129.06952	13.8
131.08528	49.2
133.10072	51.5
135.11650	34.1
137.09523	2.5
137.13219	6.7
141.06927	2.7
142.07758	9.5
143.08521	29.8
144.09288	4.3
145.10072	56.2
147.07968	2.4
147.11630	82.5
149.13216	17.4
155.08533	11.1
156.09291	11.1
157.10065	38.4
158.10770	4.1
159.11629	59.6
161.13188	21.5
163.14775	16.5
168.09311	2.6
169.10069	11.7
170.10858	3.2
171.11626	34.9
172.12404	3.1
173.13184	36.9
175.14748	21.0
177.16325	8.1
179.14290	3.7
181.10037	3.4
183.11552	18.3
185.13190	24.8
187.14734	38.6
189.16328	14.5
190.13409	3.1
191.17902	3.9
195.11636	3.8
197.13205	11.4
199.14764	41.9
201.12532	2.8
201.16310	31.6
203.17871	9.6
205.15820	15.0
207.11623	1.9
209.13147	2.9
211.14778	11.8
213.16281	21.3
215.17845	13.3
217.19312	3.0
219.17374	2.3
223.14864	2.5
225.16394	4.1
227.17905	9.3
229.19452	3.7
239.17905	7.6
241.19360	3.6
245.18773	2.2
253.19421	11.7
255.21049	4.2
265.19376	2.3
267.21017	8.1
271.20386	4.3
273.21838	2.5
285.22012	19.9
335.27252	8.3
353.28250	20.1
395.32993	2.5
407.32870	33.5
423.15552	2.3
425.33957	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	425.3403
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.92573	1.6
55.05486	13.0
56.63694	1.7
57.07054	4.0
62.57211	1.7
67.05479	23.4
69.07038	23.6
71.69591	2.0
79.05457	23.4
81.07026	41.4
83.08587	14.5
84.67834	2.1
85.06484	2.5
91.05441	23.2
93.06998	57.1
95.04942	2.0
95.08574	68.5
99.08048	9.7
101.06297	2.0
105.06998	72.1
107.08560	75.1
109.06506	2.5
109.10132	37.3
117.06947	9.1
119.08537	100.0
119.09387	3.4
119.85953	2.4
121.10104	61.3
122.34087	2.1
123.08006	3.9
123.11649	12.3
129.06941	3.2
131.08531	51.2
133.10083	58.3
135.08020	2.7
135.11623	32.5
137.13243	2.4
143.08524	13.0
144.09274	3.5
145.10089	72.7
147.11632	66.1
149.09523	7.9
149.13240	23.7
151.11075	3.2
156.09251	3.2
157.10043	20.1
158.10860	3.1
159.11653	53.7
161.13173	28.2
163.11104	8.1
163.14767	23.3
169.10054	3.5
171.11635	9.3
172.12370	3.8
173.13210	35.4
175.14742	29.5
177.12650	3.5
177.14830	2.2
177.16263	18.5
182.08495	2.2
183.11639	8.4
185.13205	19.2
186.14098	2.6
187.14764	50.4
189.16290	20.6
190.13519	2.5
191.17860	4.9
197.13219	2.6
199.14775	11.4
201.14536	4.3
201.16325	76.4
203.14352	2.6
203.17914	9.2
205.15816	31.8
211.14732	4.5
213.16374	9.9
215.17847	3.3
217.15739	2.5
219.17404	9.2
223.16867	3.0
227.17957	4.9
229.19540	3.2
239.17909	2.6
255.21011	2.7
280.29645	1.9
295.24475	2.0
319.31210	2.0
389.31528	2.7
404.24094	2.4
407.33026	26.2
425.28458	3.8
425.34018	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	425.3406
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.28223	1.3
53.49820	1.4
55.05503	13.0
57.07047	10.1
64.32755	2.6
67.05486	19.1
67.17873	1.5
69.07044	34.6
71.08585	3.5
75.36958	1.5
79.05466	15.2
81.07025	49.3
83.08585	9.5
89.06005	6.9
91.05435	20.3
93.07014	40.3
95.08571	65.9
97.06506	2.2
97.10136	3.7
99.08038	6.7
105.06994	36.2
107.08559	61.9
109.10126	34.4
111.08050	4.3
115.15923	1.8
117.06996	7.8
119.08540	63.9
121.10106	35.2
123.08067	1.8
123.11697	13.3
125.09536	1.8
129.06976	3.0
131.08510	22.7
133.06444	3.7
133.08539	2.4
133.10081	42.9
135.08073	3.0
135.11664	36.6
137.13187	3.1
139.11063	2.3
143.08539	11.6
145.10081	33.1
147.07965	8.9
147.11636	33.5
149.09746	1.7
149.13203	8.8
149.36986	2.0
151.11134	2.6
155.08517	3.6
157.10092	10.6
159.11621	29.2
161.09540	2.9
161.13191	18.6
163.11209	2.0
163.14775	7.8
169.10045	4.3
171.11633	11.7
173.13158	15.1
175.14769	15.4
177.16367	3.0
183.11696	3.8
185.13152	9.4
187.14775	10.9
189.16339	28.7
191.14185	3.1
191.17873	8.8
194.41438	1.7
197.13197	3.8
199.14774	11.1
201.16368	11.1
203.14273	30.0
203.17867	21.7
205.15796	19.4
207.17363	16.4
211.14668	3.8
213.16397	2.3
215.17931	8.9
217.15863	9.9
220.67957	2.0
225.16312	2.0
227.17860	2.3
229.15828	2.9
241.19307	3.4
243.20988	4.4
245.19003	2.5
251.17896	1.9
253.19464	3.0
255.21164	2.5
271.20349	3.9
295.87643	1.9
296.21417	2.8
319.24261	1.9
336.66800	1.8
389.31839	3.0
407.32959	33.9
408.33652	2.3
412.54214	2.1
425.34018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.4
55.55087	1.9
57.07062	4.6
59.75595	2.2
67.05480	22.7
69.07043	27.8
72.19816	2.1
79.05471	21.3
81.07026	49.3
83.08583	5.8
91.05452	36.3
92.53277	2.4
93.07011	58.4
95.04906	3.7
95.08568	82.3
97.10137	3.5
99.08046	9.5
105.06996	79.8
107.08561	87.9
109.06451	3.6
109.10115	38.5
117.07002	15.4
119.08541	100.0
121.06488	2.4
121.10109	64.6
123.08011	3.7
123.11666	10.4
125.09547	3.1
129.06940	3.3
130.07748	3.4
131.08528	62.6
133.10086	63.0
135.08011	5.8
135.11649	34.6
137.13162	4.5
142.07663	3.3
143.08511	13.4
144.09306	3.2
145.10074	70.3
147.08008	2.7
147.11659	75.9
149.09641	4.8
149.13197	28.0
155.08536	2.5
157.10028	18.8
158.10837	5.6
158.94971	2.4
159.11644	47.8
161.13205	28.1
163.11137	10.5
163.14784	19.2
169.10074	4.5
171.11592	17.8
172.12436	2.4
173.13185	35.5
175.14745	35.2
177.12740	3.8
177.16348	16.8
183.11618	9.3
185.13214	15.9
187.14764	67.3
189.16354	21.3
191.17911	3.9
197.13142	4.4
199.14761	11.1
201.16325	72.4
203.14328	2.5
203.17949	11.2
205.15808	29.1
207.17422	3.3
213.16289	2.6
215.17905	5.4
219.17403	5.0
223.16924	4.2
225.16420	4.0
229.19504	3.6
231.72441	2.2
233.18761	2.9
239.17900	3.0
255.20894	3.4
269.22574	2.8
283.86459	2.4
338.25235	2.8
389.31821	2.8
396.75809	2.7
407.32913	33.5
425.28470	4.0
425.34015	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3401
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.34636	0.7
55.05484	4.9
57.07035	1.2
61.75870	0.9
67.05473	4.2
69.07034	10.2
79.05447	2.0
81.07020	11.2
83.04941	1.6
83.08595	1.5
84.34953	1.0
89.05998	5.2
91.05457	3.7
93.06997	9.1
95.08566	14.1
99.49027	0.9
105.07004	10.4
107.08557	15.0
109.06504	1.4
109.10147	9.4
111.08042	1.1
112.19996	0.9
119.08551	15.0
120.95150	0.9
121.10113	11.1
123.11671	5.5
127.53783	0.9
131.08504	3.5
133.06451	13.9
133.08499	1.2
133.10068	10.6
135.08023	10.5
135.11638	6.6
137.13174	1.4
143.08513	2.0
145.10072	3.9
147.07967	4.9
147.11633	8.0
149.02280	5.4
149.13206	4.0
150.02669	1.3
157.10092	4.1
159.08008	1.2
159.11623	10.6
161.09508	2.0
161.13213	9.2
162.10291	1.3
163.14801	3.6
171.11641	1.7
171.62573	1.0
173.13220	5.4
175.11089	1.8
175.14706	1.8
177.12711	3.5
179.14268	0.9
179.52248	1.0
183.11588	1.2
185.13168	1.2
187.14752	3.7
189.12672	4.8
189.16386	1.2
191.14267	1.9
199.14818	1.4
201.12715	5.7
201.16226	1.3
203.14247	39.4
203.17929	4.9
205.15819	32.8
205.19458	1.5
215.14261	2.0
215.17630	1.1
217.15846	1.6
219.17369	1.4
227.14366	1.0
229.15800	3.4
231.17220	1.5
239.14792	2.2
257.18909	1.2
271.20428	3.1
310.94534	1.0
407.32779	9.8
425.33942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3405
Annotation	Maragenin II
Peak:m/z	Relative Intensity
50.20996	2.1
55.05499	15.2
57.07050	3.7
58.86111	2.1
67.05487	18.9
69.07062	20.8
79.05468	28.2
81.07027	45.2
83.08583	2.8
85.06525	2.7
91.05450	28.1
93.07011	68.9
95.04945	3.8
95.08579	62.0
97.10123	2.6
99.08062	25.9
105.06995	56.4
107.08559	100.0
109.10123	33.7
114.64471	2.5
117.06960	11.5
119.08539	88.9
121.10108	42.8
123.08031	2.8
123.11663	9.7
128.06206	3.0
129.06978	8.0
130.07700	2.6
131.08531	40.9
133.10095	42.9
135.07980	2.0
135.11655	32.5
137.13243	7.9
142.07735	12.5
143.08522	28.3
145.10075	41.0
147.11652	70.7
149.13251	8.2
155.08533	9.7
156.09322	4.7
157.10074	43.7
158.10800	3.5
159.11650	41.9
161.13173	22.4
163.14796	8.7
169.10083	14.2
170.10873	4.5
171.11607	32.3
173.13225	36.1
175.14748	13.2
177.16257	3.7
183.11664	20.3
184.12347	2.0
185.13228	19.7
187.14781	25.8
189.16333	13.8
191.17755	2.1
195.11514	2.2
197.13142	13.9
199.14757	50.5
201.16341	18.0
203.17947	3.4
207.17493	2.5
209.13266	2.5
211.14659	9.6
213.16370	19.0
215.17958	2.8
217.15700	3.4
223.14719	2.8
225.16229	3.9
227.17786	10.8
229.19492	4.7
237.16341	3.6
239.17816	4.4
241.19458	8.8
243.21086	2.4
245.18953	3.0
251.17943	2.2
253.19482	8.2
267.20966	4.5
271.20526	8.5
285.22003	25.4
311.23581	2.9
335.26926	4.0
353.28241	30.0
389.31952	3.5
407.32996	40.0
425.28613	3.7
425.34021	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	425.1404
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.90458	0.5
55.05490	3.5
55.49316	0.5
57.03414	0.8
67.05473	0.8
68.93993	0.6
69.03381	0.8
69.07027	1.2
70.06588	0.6
71.04961	1.0
73.84548	0.7
81.07006	1.2
83.04953	1.1
83.08595	2.9
85.02885	1.4
89.90614	0.5
91.05457	1.4
93.06991	2.3
93.42668	0.6
95.04946	6.0
95.08576	2.3
96.05228	0.8
97.06490	0.7
97.40305	0.6
99.04408	0.7
105.06937	0.9
107.08534	2.5
109.06479	0.6
109.10081	0.9
111.08047	0.9
119.08585	1.2
121.10094	3.1
133.10100	1.3
149.13196	0.6
150.13567	0.6
151.11145	1.2
152.71277	0.6
153.09044	1.4
155.07082	0.6
163.14755	0.7
167.14169	1.1
191.06923	0.8
191.14255	1.0
209.15271	7.1
210.15576	4.0
227.16142	0.7
235.44124	0.6
293.09833	1.3
346.91327	0.6
357.93027	0.7
425.14001	100.0
426.14517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	7.3
55.05492	10.4
57.03412	2.6
57.07055	7.6
61.02908	1.6
67.05488	10.5
69.03398	5.4
69.07042	43.6
71.04958	5.8
71.08599	9.5
73.02883	8.4
79.05464	3.0
81.03392	1.7
81.07024	49.9
83.04939	6.7
83.08597	13.2
84.52240	1.1
85.02879	55.3
85.06504	12.5
85.10169	5.4
91.05463	6.0
93.07018	10.9
95.08564	23.6
97.02854	2.5
97.06509	7.8
99.04406	11.3
99.08058	3.0
101.02354	16.0
105.07016	20.1
107.08569	17.4
109.06496	12.3
109.10117	3.2
111.08041	2.6
111.56519	1.4
113.05981	2.2
119.08523	15.1
121.10095	22.0
123.08041	10.1
123.11661	55.3
127.03888	1.6
127.07523	12.7
131.08517	1.7
133.10106	2.6
137.13211	2.2
139.07484	1.6
141.09036	4.7
145.10054	3.2
147.10474	2.5
147.11644	65.4
155.14265	14.6
159.07957	2.6
163.03819	1.6
165.12677	32.8
167.06961	1.8
183.13739	100.0
195.13661	1.4
199.03043	1.4
201.14801	79.6
226.67830	1.7
269.06586	1.4
363.30640	1.6
371.11240	1.5
421.82529	1.7
424.23871	7.5
424.32687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88776	0.8
52.73310	0.9
53.03905	1.0
55.01843	1.7
55.47620	0.9
56.96535	4.9
57.03415	4.3
61.02889	2.2
69.03417	10.2
69.04529	1.3
70.06552	5.4
71.04984	1.2
73.02887	1.8
75.43614	1.0
82.99837	2.0
83.04949	2.1
84.04471	2.0
85.02868	15.7
87.04398	1.5
91.05474	1.1
97.02863	9.9
98.97551	13.6
99.69347	1.1
101.00848	11.4
105.00351	1.1
109.02833	2.4
111.04408	1.4
112.07581	1.8
116.98605	11.9
119.01879	50.9
119.04879	1.7
122.06998	1.2
126.05457	1.9
127.03857	5.3
131.00166	1.3
131.01869	12.5
133.03342	1.8
134.99577	5.4
137.02911	9.5
142.96005	1.5
143.00145	2.2
143.01849	37.4
145.03432	20.4
145.04573	1.8
145.04895	1.5
146.99565	1.7
147.03282	1.4
147.04317	2.4
149.02904	1.7
153.03091	10.6
155.01852	17.9
156.97415	1.7
157.03419	14.2
158.08165	1.7
158.99590	1.3
161.01230	4.6
161.02904	100.0
162.03621	7.0
162.53738	2.7
163.04512	1.3
167.01898	7.0
167.07024	6.3
169.03363	4.8
171.03970	10.1
171.54300	5.5
172.04367	2.4
173.02893	33.8
173.04370	1.2
174.98590	1.8
175.04465	6.6
177.00685	2.0
179.02159	5.1
179.03844	2.1
181.01414	1.3
181.03598	1.4
185.02901	55.5
187.04486	9.4
189.00607	1.6
191.02303	1.6
191.03877	7.9
192.04544	1.8
197.02925	24.0
203.02238	2.0
203.03966	23.5
205.00151	1.9
209.02908	1.3
215.03906	10.3
219.01674	2.4
221.05049	2.5
223.01198	2.2
223.06558	2.5
227.03923	10.1
237.02689	2.2
239.04222	5.8
243.06465	2.2
245.04977	88.6
252.06647	2.3
253.06975	1.3
257.05011	5.3
263.05984	23.6
265.07623	2.0
275.06012	11.1
293.06955	2.1
305.06946	5.6
323.05948	1.4
333.04846	1.8
333.09061	1.3
335.08240	1.8
365.09058	7.3
376.39383	1.5
425.06296	2.1
425.11166	6.7
439.95184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
55.05497	24.6
56.96549	5.6
57.03410	1.6
57.07059	2.3
59.04977	1.4
61.02868	1.6
61.68593	0.9
67.05486	7.0
68.47837	1.0
69.03402	8.6
69.07045	9.7
71.04945	8.6
79.05476	6.2
81.03377	1.8
81.07021	17.6
83.04945	18.3
83.08590	20.4
85.02888	12.9
85.06524	6.7
87.04478	1.3
90.27934	1.2
91.05453	6.5
93.07009	25.0
95.04932	62.5
95.08585	11.6
97.02863	2.3
97.06491	27.6
97.10110	2.1
98.97562	7.7
99.04423	14.5
99.08092	2.0
100.38336	1.0
105.06979	14.6
107.07874	2.2
107.08562	33.2
109.06481	33.9
109.07191	1.2
109.10119	17.3
111.04411	1.1
111.08038	8.6
113.05983	2.0
113.09615	1.4
115.07531	23.8
116.98583	4.5
117.06965	1.2
119.08533	10.3
121.10098	41.2
123.08055	3.8
123.11629	9.2
125.09619	8.3
127.03893	2.2
128.98618	2.4
131.08536	11.8
133.10095	39.5
134.99582	1.5
135.08012	9.9
135.11656	4.6
139.11102	1.5
145.10106	6.0
146.99622	1.7
147.11646	18.6
149.13187	11.9
151.11116	22.2
153.09067	16.7
158.10887	4.9
163.03758	1.8
163.07545	1.3
163.14708	9.9
165.12643	2.0
167.07007	2.1
167.14262	25.5
173.13205	26.2
175.14822	4.5
191.14246	25.7
209.15311	100.0
219.01591	1.9
227.09129	1.6
227.16347	51.6
227.18477	2.1
237.02722	4.1
239.02234	4.8
257.03198	4.1
425.07428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	28.2
57.03408	4.4
57.07050	1.6
59.04982	1.2
61.02905	2.1
63.35106	1.0
64.12594	1.1
67.04934	1.1
67.05473	6.3
68.56049	1.1
69.03403	7.5
69.07053	8.3
71.04955	6.8
79.05460	9.0
81.03384	2.1
81.07020	19.4
83.04951	17.5
83.08587	22.9
85.02873	17.4
85.06503	6.8
91.05441	5.6
93.07005	23.4
95.04928	66.1
95.08586	11.5
97.02856	4.7
97.06488	29.6
97.10128	6.0
98.97475	1.2
99.04404	16.3
99.08057	5.0
105.06995	16.8
107.01447	1.0
107.08558	35.8
109.06483	35.8
109.10106	23.3
111.08024	7.2
112.92081	1.1
113.05969	1.5
113.09561	1.5
115.07523	28.8
119.08528	11.4
121.10094	47.0
123.08018	2.4
123.11668	7.1
125.09601	9.3
127.03896	1.4
127.07475	1.3
131.08524	13.2
133.10088	42.7
135.07996	6.1
135.11641	5.2
137.49077	1.2
143.82065	1.2
144.09299	1.5
144.73566	1.2
145.04893	2.0
145.10072	6.9
147.11641	17.8
148.65756	1.3
149.13229	7.9
151.11143	24.5
153.09042	26.9
158.10846	5.7
163.03777	1.7
163.14767	9.0
165.12628	2.1
167.14241	27.9
173.13191	23.1
175.14786	5.2
191.14235	25.3
209.15303	100.0
227.16316	43.1
237.02838	1.3
309.11267	1.3
423.24515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.8
55.01845	1.0
55.05492	20.3
57.03421	5.5
57.07065	2.7
59.04956	1.3
61.02886	0.9
67.05479	5.4
69.03419	5.5
69.07039	13.0
71.04967	8.2
79.05454	5.1
81.03364	3.4
81.07025	26.7
81.93618	0.7
83.04948	19.4
83.08591	14.9
85.02877	13.6
85.06506	3.4
90.87769	0.7
91.05421	7.9
93.07006	23.1
95.04929	59.1
95.08569	14.3
97.02834	3.6
97.06469	7.0
97.10128	1.3
99.04415	14.9
99.08042	7.2
105.07003	9.1
107.08558	35.6
109.02811	1.1
109.06482	7.6
109.10120	17.9
111.08043	9.5
113.09634	1.3
119.08568	7.9
121.06437	1.5
121.10093	36.0
123.08023	4.2
123.11730	6.4
125.05984	0.8
125.09618	5.5
127.03847	1.4
127.07508	7.7
131.08536	6.0
133.10075	19.9
135.08038	5.8
135.11650	15.8
137.09576	1.5
139.11110	4.2
145.10080	4.2
147.11636	8.1
149.09563	3.8
149.13188	18.5
151.11147	15.7
153.09073	17.9
153.12659	1.1
158.10851	1.5
163.14761	8.5
165.12700	8.7
167.14244	17.9
173.13188	12.8
191.14249	27.0
197.15273	0.8
209.15294	100.0
226.21617	1.2
227.12871	1.3
227.16341	33.6
371.20404	1.1
425.14014	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	424.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82262	0.1
53.00286	0.1
53.03928	1.1
55.01870	0.3
55.05489	0.3
57.03426	0.2
57.50539	0.1
58.33982	0.1
61.02908	0.2
64.93436	0.1
65.03913	0.6
66.04697	0.2
67.05466	0.6
69.03397	0.8
69.07033	0.2
71.04965	2.0
73.02889	0.2
79.05461	15.3
81.03394	0.9
81.07024	100.0
83.04954	0.2
83.08604	0.1
84.95961	0.1
85.02870	2.3
85.06508	0.7
87.00797	0.6
87.04450	0.1
91.05475	0.2
93.07010	1.7
95.04933	0.7
95.08565	0.7
97.02859	0.9
97.06496	0.2
99.04414	5.8
99.05040	0.3
99.08037	0.2
105.01842	0.2
105.07000	0.6
107.04921	0.5
107.08559	1.5
109.02850	0.6
109.06458	0.3
109.10126	0.7
113.09623	0.3
119.08557	0.6
121.10110	1.7
123.08047	0.9
123.11698	0.8
125.09600	0.3
127.03889	0.8
127.07523	0.2
127.11144	0.2
131.08553	0.5
133.10104	0.9
135.11681	0.2
139.11108	0.1
141.09068	2.6
145.04945	0.2
145.10074	0.7
147.11639	0.1
149.13226	0.2
151.11133	0.2
154.72382	0.1
155.08531	0.1
159.02896	0.1
163.11157	0.8
167.10547	0.2
169.12148	0.2
173.09541	0.3
173.13095	0.3
183.13762	1.3
191.10602	1.1
191.14278	0.1
209.11807	0.3
209.15338	1.0
227.12843	0.9
227.16302	4.1
244.09586	0.3
245.13756	0.2
371.17062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.2
55.05496	0.5
56.96574	0.1
57.03404	0.2
57.07049	0.2
60.75541	0.1
61.02909	0.6
65.03911	0.8
67.05473	0.6
69.03419	1.0
69.07050	0.2
71.04967	0.2
73.02888	0.1
81.03382	0.5
81.07024	1.0
82.90407	0.1
83.04967	0.1
83.08593	0.1
85.02878	3.2
89.60169	0.1
91.05446	100.0
91.14702	0.1
92.05797	0.5
93.07032	0.2
95.08578	0.4
97.02859	1.4
97.06493	0.2
99.04413	0.1
105.01783	0.1
107.04911	0.2
107.08582	0.1
109.02886	0.1
109.10152	0.4
123.11682	0.5
127.03917	0.5
127.07445	0.2
137.02283	0.2
145.04938	0.2
167.03285	0.1
167.06996	0.5
168.07376	0.1
245.07986	0.8
300.28088	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	424.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00985	0.1
57.03400	0.2
61.02900	0.6
65.03906	0.8
69.03399	1.0
69.96699	0.1
70.90554	0.2
71.04947	0.1
71.31546	0.1
71.80535	0.1
74.61327	0.1
76.54793	0.1
79.05437	0.2
81.03389	0.4
81.07004	0.2
85.02872	2.8
89.58705	0.1
91.05446	100.0
92.05777	0.6
95.08569	0.2
97.02885	1.1
103.05460	0.1
104.64320	0.2
105.06961	0.2
107.04904	0.2
109.02795	0.2
109.10105	0.2
121.10111	0.2
127.03909	0.4
133.10106	0.2
137.02333	0.3
147.04376	0.7
159.49243	0.1
167.03368	0.5
167.07060	0.2
227.06946	0.2
245.07979	2.1
335.09174	0.2
353.09973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28172	0.3
50.77635	0.3
52.48196	0.3
53.03912	0.4
55.89298	0.4
57.03402	0.8
61.02902	0.9
69.03404	3.2
70.26601	0.3
71.04967	0.4
73.02867	0.7
79.05437	0.5
81.03378	1.9
85.02873	10.7
87.04465	0.5
91.05444	2.6
93.06994	2.5
95.04954	3.0
97.02853	3.1
103.05427	4.3
105.07016	0.6
107.04918	3.5
109.06524	0.6
113.05984	1.5
117.03341	0.8
119.04895	1.4
121.06466	10.2
122.53610	0.4
123.04396	2.5
124.05151	0.6
127.03844	0.5
131.04897	5.3
133.02780	0.8
133.06451	0.6
134.03581	1.5
135.04416	0.5
137.05919	7.0
140.04634	1.6
145.02821	1.6
145.04842	0.4
147.04324	2.0
148.05109	2.5
149.05928	13.5
152.04669	0.7
155.06946	0.8
157.59938	0.4
159.04369	4.4
163.03822	0.9
165.05450	0.5
167.06976	100.0
176.04634	0.9
177.05402	26.3
181.08499	2.1
188.29459	0.4
191.06978	0.9
193.08539	0.8
194.05705	0.5
203.19359	0.5
209.08029	13.1
211.09642	1.5
227.09058	29.4
352.04260	0.4
378.68842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.1
55.05494	0.1
57.03403	0.3
61.02901	0.2
65.03916	0.9
66.56312	0.1
69.03405	0.9
71.04962	0.1
81.03379	0.5
81.07027	0.3
83.08603	0.1
85.02872	2.8
91.05444	100.0
92.05781	0.5
93.07034	0.2
95.08598	0.3
97.02843	0.9
107.08587	0.2
123.11676	0.2
127.03846	0.3
145.04889	0.2
165.35323	0.1
167.03436	0.2
167.06989	0.1
245.08096	0.9
327.08536	0.1
368.48404	0.1
424.47128	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	424.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.5
66.12259	0.2
67.05482	1.7
67.71512	0.2
69.03382	1.6
71.04979	0.3
79.05450	0.5
81.03380	0.5
81.07014	2.1
83.04945	0.3
85.02865	1.6
85.06527	0.4
87.04424	0.3
91.05429	1.4
93.06997	1.1
95.04921	0.6
95.08569	0.4
97.02845	1.1
99.04428	0.4
105.06934	0.3
106.06514	0.4
107.07315	0.6
107.08574	1.0
109.02867	0.5
109.06464	1.1
109.10132	0.4
115.03915	0.4
119.04861	0.3
121.10081	1.2
122.05974	0.3
123.04366	1.0
123.08148	0.3
127.03828	0.5
128.06195	0.3
129.06902	0.5
131.08505	0.3
132.21243	0.2
133.10091	0.4
134.05966	0.5
135.08009	0.3
135.11626	0.3
136.07501	1.0
137.05933	2.5
143.08493	0.6
145.10057	0.4
145.92815	0.2
147.04347	1.2
149.09517	0.3
151.11133	0.4
152.32184	0.3
153.06892	2.1
155.08475	3.1
160.11087	0.4
161.05954	0.5
163.06273	0.3
168.05591	0.3
170.09641	2.3
171.08026	0.5
173.08142	0.4
174.09045	0.3
176.06979	2.5
177.07747	0.3
178.04939	0.3
179.13789	0.2
180.07971	0.6
181.06468	1.8
183.06654	1.8
183.08052	0.9
187.07411	0.6
188.10657	0.6
191.14224	0.4
198.09065	6.9
199.07512	2.9
201.07756	1.5
208.07539	0.3
209.15280	1.1
211.06230	0.4
214.04915	1.6
215.05632	0.3
216.10133	4.1
226.08537	3.7
227.06882	0.5
228.06416	0.5
229.07179	2.9
244.09590	100.0
245.09979	0.5
262.10635	57.4
263.11105	0.4
424.15829	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	424.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08809	0.3
54.08014	0.4
56.02766	0.3
56.96547	7.5
59.98430	0.3
62.42181	0.4
71.95232	0.7
78.72050	0.4
92.28204	0.4
93.64589	0.4
98.97544	88.2
102.43709	0.4
104.85561	0.4
113.56787	0.4
116.98581	78.7
129.12535	0.4
134.99614	39.7
140.00113	0.4
149.72595	0.4
153.00676	6.3
219.01999	0.5
234.99719	2.8
240.98621	2.7
258.99652	43.2
261.02911	1.6
262.03348	0.4
273.34763	0.4
274.97391	0.7
277.00720	100.0
278.00925	0.8
282.01117	0.6
282.99805	0.7
292.98425	0.7
295.01755	1.9
300.02301	0.9
301.00974	3.1
303.00830	0.7
316.98819	0.6
382.99744	2.8
400.96371	0.6
401.00919	16.2
402.00449	0.4
419.01965	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	424.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95139	0.2
53.03931	0.5
54.21099	0.2
54.81091	0.2
55.05486	0.5
56.99323	0.3
57.03417	0.4
61.02893	1.3
65.03911	1.3
69.03403	1.7
69.07029	0.3
70.46245	0.2
73.02885	0.4
76.08878	0.2
79.05453	3.8
81.03394	0.5
81.07030	0.6
83.08554	0.3
84.39790	0.3
85.02870	6.8
91.05443	100.0
92.05785	0.4
95.04918	1.2
97.02848	1.6
100.11239	1.2
105.06991	0.3
107.04919	57.6
109.02875	0.4
109.06445	0.5
121.02822	0.4
123.07986	0.3
127.03838	0.6
131.08540	0.3
133.02798	0.5
137.02231	0.4
140.52763	0.3
140.75221	0.3
141.11400	0.3
145.04892	0.4
151.03859	8.8
167.03387	0.4
182.15265	0.3
185.81761	0.3
210.07378	0.3
210.14883	0.3
227.06902	1.5
245.08067	2.1
338.84952	0.3
424.23331	0.3
424.31879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3612
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.30814	1.1
55.05499	15.6
57.07063	13.2
60.79050	1.2
60.79370	1.1
63.88766	1.1
66.49616	1.4
67.05476	25.0
68.93246	1.5
69.07040	53.4
79.05462	13.4
79.05850	1.6
81.07026	51.4
82.69335	1.2
83.08584	12.8
84.95820	1.2
91.05452	13.7
92.09341	4.4
93.07007	30.4
95.08563	62.9
97.06518	1.3
97.10144	6.9
99.02708	1.3
99.08069	3.4
105.07004	26.0
107.08562	55.4
109.10125	61.9
113.09573	2.0
117.06999	5.8
119.08538	31.2
121.10104	30.5
123.11672	17.5
125.09591	2.0
127.11185	1.7
129.06905	1.8
131.08524	16.6
133.10074	22.5
135.11647	26.6
137.13196	24.5
143.08517	11.2
145.10092	23.3
147.11641	24.6
149.13200	10.0
155.08522	2.7
156.09351	2.2
157.10103	13.1
159.11623	30.6
161.13202	17.0
163.14789	8.8
169.10078	6.2
171.11595	13.3
173.13197	24.5
175.14781	10.4
177.16370	3.3
183.11676	8.4
185.13141	10.7
187.14763	15.8
189.16356	11.8
191.17873	9.3
195.11659	2.6
197.13217	7.6
199.14774	12.9
201.16325	12.3
203.17850	5.8
203.96172	1.5
211.14774	6.8
213.16272	12.6
215.17888	8.3
219.17418	1.8
225.16402	6.4
226.39520	1.3
227.17923	7.6
229.19473	3.3
237.16350	2.0
239.17976	5.0
241.19446	8.1
243.21089	3.4
253.19511	5.9
255.21001	5.6
265.19501	2.0
267.21002	7.8
269.22449	9.8
279.21060	3.4
281.22406	2.4
283.24237	2.1
285.22055	7.6
293.22708	2.2
295.24185	5.6
297.25604	25.5
299.23877	1.8
309.25705	2.9
313.25119	5.3
323.27090	2.4
335.27216	3.3
341.28284	1.6
349.28888	2.3
353.28406	9.0
367.29993	2.1
395.33173	1.7
405.30530	2.0
405.35150	28.4
423.36142	100.0
424.65192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	22.8
57.07051	10.7
59.04983	1.9
59.52558	1.7
67.05480	29.6
69.07041	37.3
73.51930	1.7
79.05455	25.1
81.07024	77.2
83.08582	13.5
91.05441	28.2
93.07003	54.9
95.04935	2.5
95.08569	100.0
97.10136	8.7
105.06990	64.0
107.08556	80.3
109.06487	3.3
109.10118	52.1
117.06965	13.6
119.08531	81.7
121.10108	52.0
123.11657	20.0
129.06921	3.9
130.07747	2.8
131.08514	31.6
133.09087	2.7
133.10085	56.3
135.11659	42.6
137.13184	12.7
143.02570	2.1
143.08559	15.4
144.09314	3.6
144.71283	2.5
145.10080	55.6
147.11649	38.1
149.13165	21.9
155.08475	8.5
157.10077	23.2
158.10864	3.9
159.11615	42.6
161.13141	30.0
163.14771	23.1
169.10022	9.1
171.11598	17.5
173.13193	26.3
175.14728	19.9
177.16374	10.0
179.27715	2.2
183.11568	8.1
185.13182	18.6
187.14769	29.4
189.16307	39.2
191.17896	11.3
191.84904	2.3
197.13266	3.6
199.14732	10.1
201.16304	33.0
203.17863	22.3
205.19490	3.7
207.17509	2.4
209.13188	2.2
211.14771	4.4
213.16327	11.1
215.17909	21.4
217.19414	4.1
225.16264	2.3
227.17810	8.9
229.19443	8.2
231.17444	3.3
241.19405	4.7
243.20984	8.6
253.19521	3.0
255.20946	4.8
269.22684	5.6
271.20319	3.5
281.22403	4.0
283.24112	2.5
285.22476	2.0
334.63721	2.2
376.84195	2.3
377.31857	11.0
405.35065	13.2
423.31808	23.3
423.36813	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
54.40704	1.4
55.05494	24.3
56.21008	1.4
57.07055	7.8
66.72730	1.3
67.05480	33.7
69.07040	39.7
70.36288	1.4
79.05459	22.7
81.07027	79.3
83.08588	11.7
85.06511	2.2
86.00972	1.4
89.68983	1.3
90.06010	1.4
91.05447	28.0
93.07004	45.9
95.08572	90.3
97.10149	6.8
99.08072	2.1
105.07001	57.2
107.08561	100.0
109.06483	2.7
109.10123	55.9
111.11723	2.3
117.07003	8.6
118.80534	1.5
119.08536	71.4
121.10099	63.1
121.10991	2.1
123.08030	8.6
123.11675	19.3
124.26469	1.6
125.09605	4.1
128.06198	1.8
129.06981	6.3
131.08511	28.2
133.10092	54.4
135.11652	42.7
137.13246	10.8
143.08527	15.4
144.09294	2.0
145.10086	46.0
147.11646	49.1
149.13220	22.9
151.11182	2.3
155.08528	3.7
157.10071	19.7
159.11656	43.1
160.12398	2.3
161.13184	47.8
163.14723	12.2
165.12715	2.8
169.10042	2.7
171.11626	14.7
173.13202	22.7
175.14806	18.3
177.16400	10.0
179.14272	16.0
183.11751	7.0
185.13164	12.2
187.14764	23.2
189.16324	32.9
191.17950	9.6
197.13274	8.8
199.14792	16.4
201.16324	20.0
203.14233	2.2
203.17871	15.6
207.17426	9.9
209.13309	2.0
211.14911	3.1
213.16368	7.6
215.17871	12.7
217.19464	8.0
225.16310	6.3
227.17836	11.6
229.19431	14.4
233.18936	2.2
235.15018	1.8
239.17902	3.8
241.19464	6.8
243.21051	9.9
245.22873	2.1
248.58138	2.0
253.19524	2.9
255.21048	3.7
257.22577	2.9
267.21078	3.8
269.22592	10.8
279.21036	2.1
283.24307	5.8
295.23846	2.1
297.25565	2.4
309.25742	2.4
314.83643	1.7
323.27542	2.3
335.27060	1.8
349.29037	3.1
405.35040	36.0
423.36188	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.05498	21.8
57.07050	10.2
65.03913	1.7
67.05485	34.2
68.63685	1.8
69.03425	2.2
69.07045	34.6
69.23785	1.6
70.06573	2.4
71.04963	1.7
71.08581	2.3
79.05461	29.6
80.73887	1.5
81.07023	79.6
83.08596	14.1
88.07601	2.8
89.01768	1.7
91.05433	22.8
93.07008	50.3
93.30878	1.9
95.04902	3.0
95.08568	93.9
96.59741	1.8
97.06486	3.6
97.10129	4.2
102.09097	2.3
105.06992	60.7
107.08557	100.0
109.06509	2.7
109.10120	67.7
111.08032	2.1
117.06975	10.8
117.74497	1.8
118.07878	2.0
119.08543	75.2
119.09406	2.5
121.10101	57.3
123.08031	11.4
123.11663	21.7
125.09566	3.9
129.06960	4.6
131.01334	1.8
131.08522	27.4
133.10078	50.7
135.11653	47.0
137.13225	8.5
143.08548	13.9
145.10063	38.7
147.11642	47.9
149.02287	24.0
149.13219	21.7
150.02634	13.0
157.10077	21.5
159.11618	37.1
161.13174	44.1
163.11147	2.2
163.14799	16.4
165.12720	3.1
169.10057	7.6
171.11617	16.9
173.13177	22.4
175.14740	18.7
176.15201	1.7
177.16356	7.2
179.14294	23.4
183.11642	4.3
185.13167	14.2
187.14780	17.5
189.16315	32.5
191.17891	13.3
193.04909	15.5
194.05270	11.5
197.13185	4.4
199.14801	10.1
201.16338	27.2
203.17888	12.3
205.19487	2.1
207.17404	11.3
211.14616	3.2
213.16348	6.9
215.17896	17.7
217.19435	7.7
223.14720	2.5
225.16302	3.8
227.17853	2.2
229.19431	7.9
239.17853	2.9
241.19452	4.3
243.21014	9.7
253.19557	6.9
255.21002	7.6
256.26193	4.5
257.26523	11.0
267.21045	2.8
269.22543	4.0
283.24072	4.4
297.25525	3.1
405.35095	29.0
423.29221	17.6
423.36026	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01891	0.7
50.28735	0.7
53.00294	1.3
55.05487	5.3
57.07045	1.8
57.89814	0.7
67.05485	11.0
69.07047	8.2
70.06561	4.9
71.04963	2.0
74.53578	0.9
79.05460	6.2
81.03385	9.2
81.07024	18.8
81.99573	1.0
83.04913	1.1
83.08561	2.0
88.07597	2.0
91.05437	9.3
93.07014	19.4
95.04932	7.7
95.08570	31.8
97.10115	1.2
102.09123	1.2
105.07003	19.5
106.71672	1.0
107.07882	1.6
107.08562	28.9
109.06483	3.6
109.10132	10.3
115.14867	0.8
117.06965	4.9
119.08544	27.9
121.10108	15.3
121.92657	1.0
123.07174	1.5
123.08030	29.3
123.11633	1.9
125.09560	1.8
129.06940	2.1
131.08522	13.6
133.10085	14.8
135.08020	1.7
135.11650	5.7
137.09573	2.2
137.13229	1.0
143.08521	7.4
145.10081	20.1
147.11688	10.0
149.02296	17.3
149.03391	2.0
149.09590	3.7
149.13216	17.4
150.02618	6.9
155.08464	1.3
157.10080	5.7
159.11601	11.6
161.09613	1.5
161.13242	8.6
163.11154	3.7
163.14775	21.3
165.12747	1.3
169.10005	1.1
171.11603	5.6
173.13194	11.2
175.14769	19.3
177.12700	3.9
177.16347	4.7
183.11638	2.2
185.13185	3.8
187.14763	15.3
189.12674	1.8
189.16331	14.2
191.14246	17.9
193.04880	16.5
194.05249	5.6
197.13208	1.9
199.14745	7.3
201.12546	1.1
201.16327	4.9
203.14326	1.5
203.17876	2.3
211.14755	1.3
213.16273	5.4
215.14290	2.0
215.17885	18.9
217.15881	1.3
227.17729	2.1
229.19539	1.7
231.17264	1.2
239.17714	2.0
241.19556	1.8
243.21013	7.5
251.17868	1.4
253.19400	1.1
255.20956	3.7
256.26239	4.6
257.26563	4.8
351.26862	1.3
379.29831	100.0
405.31281	6.1
422.28992	1.5
423.28308	10.1
423.32419	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	6.2
57.07056	5.6
59.95649	2.4
64.81914	2.8
67.05471	19.2
69.07038	33.2
79.05451	19.0
81.07022	42.9
83.08574	11.7
91.05451	25.9
93.07005	56.4
95.04952	3.0
95.08570	71.7
105.07005	47.4
107.07885	4.1
107.08553	69.2
109.10117	18.0
113.27910	2.9
117.06943	5.9
119.08542	65.8
121.10122	32.9
123.11635	6.2
123.54990	3.2
125.63088	3.1
129.06927	4.2
131.08536	23.8
133.10074	53.6
135.11658	15.3
143.08481	14.2
144.09294	6.7
145.10069	48.2
146.10899	4.7
147.11632	35.9
149.13219	55.5
157.10069	7.2
159.11624	19.4
161.13193	18.6
163.14751	36.2
169.10107	4.5
171.11647	6.3
173.13199	7.2
175.14742	21.3
177.09009	3.7
177.16330	11.0
185.13327	4.6
187.14758	70.8
189.16339	82.6
192.87349	3.3
199.14764	6.7
201.16368	25.9
203.17909	18.4
213.16322	5.9
215.17847	4.6
227.17963	14.4
229.19435	3.7
239.17961	3.8
241.19276	4.7
253.19424	3.9
280.96091	3.6
281.22644	6.1
377.31946	47.1
423.32388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	18.2
57.07067	3.8
61.56351	2.0
67.05476	25.5
69.07051	23.0
79.05458	24.0
81.07027	41.4
83.04947	13.1
83.08611	6.3
85.02877	3.7
85.06536	3.2
91.04962	2.8
91.05412	20.7
92.08623	3.0
93.07007	60.4
95.04933	9.9
95.08572	75.5
99.08068	3.1
101.05988	3.2
105.06990	58.1
107.08558	83.8
109.06497	3.4
109.10129	29.5
117.06983	15.6
119.08540	83.8
119.09393	2.8
121.10100	47.8
123.08025	4.0
123.11695	6.2
128.06134	3.4
129.06970	10.4
129.80637	2.7
130.07658	4.7
131.08524	56.2
133.10094	59.7
135.08003	12.7
135.11639	33.7
137.09546	2.9
137.13229	3.9
143.08534	13.1
144.09317	3.5
145.10083	86.0
147.11630	41.4
149.09593	3.4
149.13235	14.2
151.07477	4.2
157.10071	16.3
158.10840	4.8
159.11646	53.6
161.09631	4.3
161.13167	21.2
163.11153	4.4
163.14754	15.3
169.10104	4.6
170.10818	3.0
171.11641	10.5
173.13194	53.4
175.11116	4.5
175.14798	19.2
177.12695	4.5
177.16335	6.3
183.11621	5.8
185.13228	22.0
187.14749	79.7
189.12671	3.0
189.16318	26.6
191.14261	12.3
197.13237	3.2
199.14752	14.0
201.16307	57.4
203.14262	11.3
211.14760	4.1
213.16336	11.1
215.18021	3.1
217.15791	4.5
221.15292	4.5
229.16005	5.3
235.16718	2.8
243.17433	2.8
351.26709	4.3
405.31467	20.8
423.27042	5.6
423.32339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	8.7
57.07048	2.0
58.69845	1.5
61.12414	1.2
67.05476	14.0
67.05779	1.6
69.07037	9.9
71.04958	2.0
79.05473	13.5
80.44382	1.6
81.07013	20.5
83.08583	6.0
91.05443	18.3
92.09328	3.0
93.06996	28.8
95.04932	2.4
95.08571	33.8
105.06991	49.1
107.08559	40.6
109.06464	2.1
109.10117	26.2
109.56658	1.4
111.08034	2.2
117.06966	9.0
119.08532	47.4
121.10106	33.5
123.08050	1.7
123.11668	6.3
128.06160	2.9
129.06952	9.3
131.08521	30.6
133.10083	26.9
135.08014	2.2
135.11627	13.6
137.09569	1.6
137.13147	2.0
141.06993	2.0
142.07729	8.2
143.08517	28.2
144.09319	2.1
145.10060	33.6
147.11641	15.9
149.13213	6.1
155.08521	3.6
156.09314	5.9
157.10083	34.0
158.10843	2.0
159.11642	28.1
160.78000	1.5
161.13184	36.9
163.11124	3.2
165.02759	1.5
168.09302	1.4
169.10036	13.8
170.10828	8.0
171.11649	18.1
173.13167	12.6
175.14792	7.4
177.16306	7.3
181.10135	2.3
182.10808	2.7
183.11679	12.2
184.12363	2.9
185.13181	20.4
187.14752	14.6
189.12698	2.6
189.16364	3.1
191.14272	2.9
195.11671	1.7
197.13237	9.1
199.14769	35.4
201.16330	10.8
205.15848	14.7
209.13123	2.0
211.14833	5.5
213.16281	6.1
215.17755	1.5
215.56050	1.4
217.15802	2.1
223.14833	2.3
225.16339	2.6
227.17894	3.0
233.90794	1.6
239.17801	7.4
241.19266	1.9
249.16187	1.8
251.17816	3.3
253.19531	8.4
255.21022	1.7
265.19489	2.5
267.21036	2.6
374.99689	1.6
405.31500	8.1
423.32407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50971	1.7
55.05493	13.7
57.07032	2.6
67.05478	21.4
69.06686	1.8
69.07039	37.0
79.05460	17.9
81.07020	49.5
83.08599	13.9
91.05431	23.9
92.08591	3.1
93.07011	44.6
95.08567	77.3
95.51781	1.8
96.41658	1.6
97.10103	2.4
105.06990	58.5
107.08559	83.2
109.10118	36.5
111.11614	2.1
117.06956	11.1
119.08541	87.5
121.10115	36.7
123.11654	15.0
129.06923	3.4
131.08540	29.6
133.10081	64.2
135.11655	24.4
137.13158	4.3
142.07664	2.0
143.08505	15.8
144.09259	8.1
145.10081	52.8
147.11630	41.9
149.13214	32.4
151.07439	2.4
153.08975	2.8
155.08571	3.5
157.10052	17.9
159.11633	29.6
161.13222	14.3
163.07417	2.2
163.14757	28.9
169.10074	9.5
171.11575	11.6
173.13177	19.5
175.14745	26.1
177.16348	16.0
183.11655	8.1
185.13156	7.9
187.14752	53.1
189.16324	66.5
191.17889	2.4
197.13184	4.5
199.14676	8.1
201.16304	33.9
203.17879	20.1
205.15804	2.7
207.91847	2.2
211.14763	4.4
213.16280	9.9
215.17871	11.7
225.16298	7.7
227.17908	20.5
229.19368	8.9
239.17802	9.8
241.19266	4.4
243.20927	2.1
247.16933	3.4
251.17867	2.7
253.19368	12.3
255.20845	2.4
281.22510	12.5
285.18307	3.3
297.18417	3.8
299.20004	3.3
307.23950	2.3
321.25775	2.1
335.27069	3.4
377.31885	30.9
405.35287	2.8
423.32254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	8.5
57.07062	3.5
57.15545	3.1
59.54305	3.1
62.40405	3.9
67.05482	21.5
69.07034	28.2
79.05453	9.3
81.07021	100.0
83.21525	3.9
93.07017	22.4
95.08558	44.8
105.02842	4.1
105.07024	6.1
107.08584	26.9
109.10107	37.3
113.43731	4.2
119.08553	17.9
121.10108	20.8
123.11669	19.2
133.10065	4.0
135.11661	14.9
137.09572	9.2
139.06097	4.4
145.10182	4.5
149.09579	7.3
149.13246	15.6
165.09065	91.4
174.30515	4.3
177.09106	5.9
194.28410	4.1
203.17917	4.6
205.12227	16.5
225.12726	4.2
423.31973	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	423.2343
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
51.40197	0.2
64.31686	0.2
67.05481	0.4
69.03467	0.2
69.07053	0.3
78.00190	0.3
81.07001	0.4
83.08578	0.3
92.08700	0.4
93.07017	0.4
95.00465	0.2
95.01007	0.7
95.08534	0.2
105.07018	0.3
109.10159	0.3
113.02103	1.5
119.08585	0.3
121.10075	0.3
136.18250	0.2
141.84253	0.3
149.11757	0.3
153.05212	0.5
170.05548	0.3
185.04240	0.4
187.05751	1.7
259.16589	3.9
277.17654	3.3
352.18304	0.4
353.19226	7.4
373.32730	0.3
395.78574	0.3
396.55042	0.2
423.23389	100.0
424.23804	1.9
426.16318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
54.25795	0.5
55.01839	1.5
55.05494	5.9
57.03413	4.2
57.07046	1.1
61.02892	3.3
65.64367	0.5
67.05481	5.4
69.03410	8.4
69.07033	5.7
71.04951	1.3
73.02882	1.4
73.39622	0.5
79.05441	4.2
81.03372	5.5
81.07017	9.6
83.04933	0.8
83.08578	2.9
84.08106	3.7
85.02869	23.1
85.06496	1.5
87.04423	1.1
91.03912	0.7
91.05442	4.0
93.07011	9.1
95.08580	7.7
97.02839	6.7
99.04443	0.8
100.11210	3.6
105.06999	10.8
107.08552	11.4
109.02846	1.5
109.10110	6.6
113.09614	1.2
117.06967	2.5
119.08531	12.8
121.10098	10.5
123.08008	0.9
123.11658	4.2
127.03880	3.6
129.06961	1.2
131.08537	7.0
133.10081	14.3
134.60310	0.7
135.07996	24.9
135.11610	7.5
143.08470	2.6
145.04932	1.2
145.10052	10.7
147.11644	9.3
149.13208	1.2
151.07448	0.9
157.10072	1.2
158.10861	0.8
159.11636	7.9
160.73058	0.7
161.13211	3.6
169.10132	0.8
171.11560	1.0
173.13181	8.4
175.14725	2.6
185.13194	0.8
187.14719	7.1
201.16313	1.2
203.05185	5.4
203.17899	3.3
212.34862	0.6
243.21053	5.7
261.21954	6.5
285.09866	0.8
326.54254	0.6
423.23334	100.0
423.32468	2.8
424.23608	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62499	0.6
53.03925	0.9
54.37063	0.5
54.80845	0.7
55.01849	4.3
55.05486	0.9
57.03418	0.8
57.07048	1.7
59.23877	0.6
60.04494	0.9
61.00885	0.7
61.01128	11.7
67.05486	1.4
69.03399	1.1
69.38640	0.7
70.02915	0.8
71.04948	1.2
71.06084	0.9
72.04488	23.5
73.02869	3.7
73.10085	0.7
78.03294	1.1
78.03754	33.5
81.03387	1.4
81.06978	0.8
83.04955	3.9
83.08573	0.8
85.02877	15.9
85.06506	4.0
86.06032	5.2
88.02186	10.0
91.05442	1.7
92.09280	0.9
95.04925	6.0
95.08519	0.9
98.02377	1.7
98.06009	1.8
99.04417	13.0
99.05495	6.9
102.03725	43.2
103.02130	5.6
103.03904	33.1
104.01626	1.6
109.02844	7.1
109.06474	0.8
112.07587	1.3
113.05972	3.7
114.03727	6.0
114.05484	3.7
115.05016	1.2
120.04768	9.1
123.04354	1.4
124.07529	3.0
126.05476	34.4
126.06406	1.6
127.03870	12.6
131.06332	21.9
132.04741	31.8
141.06522	1.4
142.08591	10.9
147.04456	1.0
147.05814	1.4
149.07393	70.5
152.07040	5.0
154.08604	2.9
156.06479	1.3
158.02692	1.3
159.05792	4.1
166.08568	0.7
175.05295	4.3
180.06477	21.1
183.06416	1.1
184.09550	4.8
198.07506	3.2
204.06786	0.9
207.13741	0.8
210.51622	0.7
216.08574	2.9
225.14752	0.7
231.11549	3.3
261.12677	8.6
275.10709	1.1
293.11548	100.0
405.16772	35.6
418.21149	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	422.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.8
56.77783	1.5
57.07055	21.2
58.04920	1.4
60.04876	1.5
65.03900	1.5
67.05500	1.9
71.08598	18.9
87.04437	3.1
92.09351	4.6
95.08610	2.0
109.10152	2.2
113.13284	1.8
121.02910	5.0
127.11147	3.1
129.50540	1.6
136.33618	1.6
138.46721	1.8
140.10555	1.6
146.54430	2.0
149.02292	100.0
149.03493	3.5
193.88165	1.8
217.09711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.56660	0.9
55.01844	1.0
55.05496	14.5
56.05016	10.0
56.96539	1.9
57.03418	7.4
57.07049	4.3
57.43974	0.8
58.06580	47.8
61.02893	4.8
63.80735	0.9
66.79347	0.8
67.05479	12.9
69.03394	16.2
69.07046	13.7
70.06564	4.4
71.04948	4.0
71.07339	3.2
72.08122	8.2
73.02895	3.1
74.06040	1.4
79.05442	1.6
81.03382	6.8
81.07030	26.4
83.04902	1.1
83.08585	5.9
84.08112	20.6
85.02873	42.8
85.06483	1.7
86.39438	1.1
87.04431	2.2
91.05455	3.4
93.07011	4.9
93.47346	0.9
95.08564	24.6
97.02856	12.8
97.06454	0.9
97.10117	3.7
98.09653	2.1
98.97517	1.8
99.04395	4.3
99.08071	1.1
100.25140	0.9
105.01852	0.9
105.06986	2.1
107.08572	5.6
109.02857	5.5
109.10113	11.1
111.11671	1.4
112.11217	1.7
112.27018	0.9
116.98567	3.5
119.08528	2.0
121.10104	5.2
123.11636	3.6
125.09580	3.5
125.13337	1.0
127.03870	8.1
128.98550	1.0
133.10062	1.1
134.99661	1.0
135.11650	1.5
137.05933	8.5
137.13182	3.4
145.04999	1.7
147.11693	1.2
153.01851	1.2
163.03845	1.7
167.06932	1.0
181.12151	1.1
189.09103	0.9
207.13742	1.1
219.01697	1.0
224.23659	100.0
225.14725	3.5
237.02812	1.8
242.24704	51.3
260.25757	51.8
261.11252	1.0
284.26016	1.0
322.47949	1.0
328.27448	0.9
355.14178	1.9
397.15442	1.2
397.66641	1.0
404.30029	7.0
422.30963	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	2.4
57.03404	2.4
58.06566	2.8
59.04984	0.7
61.02887	1.1
67.05482	4.3
69.03413	5.7
69.07046	2.1
69.25966	0.6
71.04970	5.9
72.34552	0.5
73.02889	0.6
75.03802	0.5
75.04430	0.5
79.05470	2.1
81.03374	1.1
81.06656	0.4
81.07033	6.4
83.04946	3.8
83.08616	2.0
84.08134	0.5
85.02879	13.2
85.06534	0.8
86.67484	0.6
87.04433	6.2
91.05453	0.8
92.09295	1.5
93.06998	3.5
95.04909	3.0
95.08575	5.9
97.02849	2.9
97.06492	2.7
99.04420	15.2
105.06985	4.1
107.08561	37.0
109.02832	1.0
109.06476	7.6
109.10121	6.7
110.65667	0.5
111.08050	4.7
115.29176	0.5
119.08536	2.3
121.10103	9.7
123.08023	100.0
123.11643	7.2
125.05962	3.1
125.09587	24.6
127.03848	2.4
127.11129	3.1
131.08527	3.7
133.10075	0.9
137.09584	9.9
139.11177	4.3
143.07024	0.6
143.08566	0.5
145.10078	1.2
147.11647	3.4
149.09575	36.3
151.07465	3.7
161.13161	0.8
165.09082	4.4
165.12703	3.2
167.10617	10.1
169.12195	1.3
171.11646	0.9
179.10593	4.0
181.12157	0.6
183.13745	6.3
185.11775	0.6
189.12689	5.7
196.63287	0.7
201.52119	0.5
207.10258	1.0
207.13744	8.0
224.23634	3.0
225.11134	6.5
225.14781	70.2
242.24561	3.9
243.15845	10.3
260.25717	3.6
286.22388	0.6
393.94864	0.5
422.31012	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	422.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.8
56.77783	1.5
57.07055	21.2
58.04920	1.4
60.04876	1.5
65.03900	1.5
67.05500	1.9
71.08598	18.9
87.04437	3.1
92.09351	4.6
95.08610	2.0
109.10152	2.2
113.13284	1.8
121.02910	5.0
127.11147	3.1
129.50540	1.6
136.33618	1.6
138.46721	1.8
140.10555	1.6
146.54430	2.0
149.02292	100.0
149.03493	3.5
193.88165	1.8
217.09711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71416	0.4
54.67424	0.4
55.05488	2.7
57.07047	0.6
66.29258	0.4
67.05470	1.1
67.38072	0.4
69.03403	0.8
69.07025	2.1
71.04963	24.1
72.28594	0.5
73.51820	0.5
74.09660	0.5
79.05452	0.9
81.03389	0.8
81.07012	3.7
83.04923	0.8
83.08578	5.2
85.02869	2.2
93.07015	1.2
95.08566	4.6
97.06480	2.1
99.04415	100.0
105.06995	3.6
107.08556	29.2
109.06483	18.8
109.10158	0.9
109.54459	0.5
111.08030	0.7
113.08559	0.5
113.09603	5.5
114.36089	0.5
117.01690	0.4
119.08540	1.2
121.06491	0.6
121.10098	8.1
123.08020	11.7
123.11655	12.6
124.43967	0.5
125.09583	6.7
126.04555	0.5
131.08530	1.1
137.09575	0.8
139.11066	1.7
141.12727	1.9
141.63348	0.5
147.11639	6.2
149.09570	9.4
165.12691	11.0
166.34195	0.5
167.10617	29.4
171.11504	0.5
183.13734	29.1
183.15338	1.1
189.12697	2.1
207.13800	2.5
221.68745	0.6
225.14775	94.1
243.15822	1.3
387.16592	0.6
390.84616	0.5
436.32422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.7
55.05492	8.4
57.03420	7.8
61.02897	6.0
66.78980	0.7
67.05477	24.1
67.46751	0.8
69.03406	11.2
69.07044	10.4
71.04963	4.8
73.02894	1.8
79.05466	14.3
81.03387	5.3
81.07024	77.4
83.04938	5.9
83.08583	6.1
85.02873	32.2
85.06505	6.1
91.03905	3.1
91.05441	28.6
92.09335	2.0
93.07008	13.0
95.04959	1.7
95.08569	18.5
97.02853	11.9
97.06496	9.0
97.10092	1.0
99.04404	1.9
99.08050	4.4
100.74557	0.8
105.06997	36.7
107.08549	14.9
109.02861	1.8
109.06469	7.2
109.10141	1.3
115.07541	1.2
119.08540	31.2
121.10110	21.3
121.76316	1.0
123.08038	5.3
123.11651	27.5
127.03873	5.1
129.06949	1.9
131.08528	6.1
133.10077	21.9
137.09541	1.0
137.13190	5.4
141.09090	1.5
145.04924	5.9
147.11639	100.0
149.09547	0.8
157.10086	10.4
165.12689	66.1
175.11067	12.8
180.07170	1.0
180.08612	5.1
193.12178	38.9
197.15303	21.3
225.14781	30.4
243.15822	86.0
245.69241	1.0
446.08932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
54.80529	0.6
55.01845	0.7
55.05496	3.2
59.04975	1.5
67.05486	5.5
69.03406	3.4
69.07043	27.1
69.07423	1.1
71.04967	1.0
76.27003	0.8
79.05467	5.7
79.93172	0.5
81.03377	1.0
81.06548	1.3
81.07027	37.0
83.03832	0.6
83.04950	2.5
85.02883	9.3
85.06517	3.0
91.05447	18.2
93.07006	100.0
93.97932	0.5
95.04929	5.4
95.08570	10.3
97.02855	3.3
97.06499	3.7
99.04436	3.8
99.08049	5.6
105.06998	31.2
107.08563	28.4
109.02860	0.8
109.06500	3.1
109.10121	1.5
111.08037	1.1
113.05984	0.8
114.22171	0.7
115.07510	6.7
117.06934	1.1
119.08537	36.8
120.09331	3.7
121.06441	0.9
121.10098	25.6
123.08027	17.4
123.11683	0.9
124.03896	1.2
127.03820	0.7
127.07500	1.0
131.08519	1.1
133.10101	10.6
135.08005	1.0
135.11630	5.0
137.05949	4.2
137.09601	3.0
139.11147	0.9
141.09077	1.1
143.10710	0.8
145.04912	1.0
147.11656	3.9
149.09602	3.4
149.13214	36.9
159.11646	10.4
161.13208	18.6
163.07683	0.6
163.11171	0.9
165.12732	1.2
167.10657	1.1
171.11867	0.7
177.12685	92.8
179.10609	0.8
179.14247	10.0
181.12140	5.7
189.12701	3.2
193.15721	1.0
195.13759	16.2
196.14082	0.8
207.13753	19.8
225.14769	5.6
243.15726	4.7
279.58615	0.7
284.65131	0.6
353.49136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01851	9.9
55.05482	16.3
56.96534	3.0
57.03411	13.9
57.07063	4.0
59.04974	5.5
59.20596	1.8
61.02901	11.5
64.32237	2.3
67.05473	25.5
69.03400	40.1
69.07043	13.4
70.06561	2.7
71.04961	38.4
73.02905	4.4
73.09492	1.8
79.05460	17.7
81.03380	11.9
81.07011	34.3
83.04955	13.4
83.08591	9.6
85.02875	92.1
85.06519	11.7
87.04430	14.0
88.09863	1.9
91.05435	21.0
93.07009	36.4
95.04929	25.8
95.08571	46.7
97.02864	30.8
97.06493	19.5
99.04412	100.0
99.08059	2.7
105.06992	51.5
107.04915	5.1
107.08556	60.4
109.02847	25.7
109.06478	37.0
109.10117	43.3
111.04392	4.0
111.08044	3.4
113.05959	11.9
113.09613	4.9
115.03892	8.8
117.06956	8.1
119.04886	8.2
119.08540	45.3
121.06453	3.8
121.10095	89.3
123.08025	90.3
123.11636	16.8
125.05956	5.3
125.09582	13.8
127.03873	12.4
131.08511	16.8
133.04924	3.3
133.06393	3.1
133.10068	19.2
135.08003	4.0
135.11661	12.8
137.05858	2.9
137.09573	46.3
137.13167	3.6
139.07516	3.7
139.11153	12.1
141.09081	3.9
143.08504	5.0
145.04936	8.7
145.10081	11.0
147.04353	17.3
147.08000	11.2
147.11671	25.6
148.05124	3.1
149.09560	41.0
151.07498	22.7
151.11131	10.4
155.10605	4.8
156.09302	15.4
159.11649	12.8
161.09641	3.1
161.13197	17.8
163.11131	13.7
165.09007	16.2
165.12686	19.3
166.06090	2.6
167.10596	31.9
169.08585	10.8
171.11621	28.3
174.10359	3.2
177.05496	2.9
177.12762	3.9
178.05621	2.5
179.10654	3.1
179.14273	9.1
180.07751	3.0
181.08534	64.7
181.12137	41.1
183.13765	15.0
189.12679	35.6
195.13696	5.2
207.06541	2.4
207.10124	4.7
207.13753	48.8
209.15324	2.9
225.11180	12.6
225.14778	88.3
243.12213	3.6
243.15729	17.3
296.45834	2.5
369.19000	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	422.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01848	1.5
55.05491	5.5
55.80531	0.4
57.03404	2.3
59.04966	0.6
61.02919	1.1
67.05476	7.9
69.03400	10.3
69.07034	3.1
69.44576	0.6
71.04974	5.4
79.05458	17.5
81.03387	3.1
81.07024	15.3
83.04959	6.8
85.02872	19.0
91.05447	6.1
93.06998	7.9
95.04932	7.7
95.08557	5.8
97.02853	5.4
97.06469	5.8
99.04417	9.5
104.29282	0.6
105.06995	13.3
107.04919	23.8
107.08562	8.6
109.02840	2.8
109.06463	4.8
109.10120	34.8
111.04443	0.9
113.05962	0.9
117.06985	2.4
119.04868	0.6
119.08521	15.3
121.02822	0.6
121.06453	6.5
121.10126	5.7
123.04404	1.0
123.08028	4.2
125.05943	3.7
125.09557	1.2
127.03861	2.6
128.06178	4.0
129.06938	5.1
131.08543	0.9
133.06429	1.1
133.10092	14.1
135.07990	1.3
135.11644	1.1
137.05946	0.8
137.09572	55.1
139.11057	0.6
143.06947	0.9
143.07317	0.8
143.08510	14.1
145.10101	2.9
146.07224	2.5
147.07999	19.5
147.11607	0.7
149.09590	2.4
150.36005	0.7
151.07603	0.7
151.11156	1.1
159.07924	0.7
161.09554	100.0
161.13179	2.5
163.11104	4.4
164.04276	0.7
165.09045	57.9
171.08018	2.5
174.06757	1.0
177.12669	2.3
179.10573	9.3
179.14290	0.7
183.10138	0.9
189.09047	10.6
189.12674	2.8
195.13762	0.7
197.11632	2.3
207.10097	45.6
207.13782	3.2
225.11151	29.7
225.14632	6.2
243.12279	1.1
243.15819	1.2
253.27444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18112	0.4
53.03936	0.8
54.81033	0.6
55.01850	1.3
57.03411	0.8
61.02898	0.5
63.49182	0.4
67.05476	2.2
67.15382	0.5
67.85118	0.5
69.03405	4.4
69.07030	1.0
70.06522	0.6
71.04960	1.3
73.02862	0.6
79.05457	8.4
81.03382	5.2
81.07033	2.6
83.04922	2.6
85.02862	6.4
85.06526	0.6
87.04411	0.7
91.05431	7.8
93.06996	2.6
95.04917	3.7
95.08559	3.1
96.88885	0.5
97.02848	2.2
97.06478	2.2
99.04434	1.2
103.05424	15.6
105.06993	25.8
107.04917	100.0
107.08546	3.4
109.02849	0.7
109.06477	1.4
109.10107	1.4
115.05422	9.2
117.06976	4.4
119.04890	2.1
119.08517	3.7
120.05663	4.5
121.06452	1.3
121.10083	2.9
123.04362	2.8
123.08014	2.4
124.05090	1.3
125.05943	0.6
126.68542	0.5
127.03874	0.9
131.04893	6.6
131.08563	1.1
133.06435	21.3
133.10094	2.8
135.08002	35.5
135.11644	0.7
137.09541	0.8
143.06027	1.1
145.06517	0.9
145.07571	3.4
147.04340	3.4
147.08084	0.9
147.11646	1.2
149.09541	2.2
152.04652	0.8
154.06207	3.1
161.05908	23.5
161.07217	1.0
161.09572	0.7
161.13112	0.8
163.07474	78.2
167.06967	55.8
177.12747	0.8
180.07744	3.1
181.08540	2.5
181.12120	0.5
189.09038	0.7
189.12758	1.3
193.08525	10.6
195.10092	61.3
207.13777	4.0
213.11128	0.7
224.20050	0.7
225.11217	0.6
225.14771	4.7
243.15816	1.2
260.06241	0.7
291.12061	2.4
329.30219	0.6
367.87439	0.6
369.31528	0.7
373.14398	2.0
422.27316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54952	2.9
52.21580	3.2
54.87874	3.1
55.05501	4.7
60.23360	3.0
67.05485	7.2
69.07050	7.9
79.05473	6.1
81.07025	20.4
91.05437	15.0
93.07008	20.9
95.08569	23.4
105.07016	25.2
107.08591	28.8
109.06458	3.8
109.10115	4.0
111.08055	3.8
119.08572	29.9
121.10126	21.8
125.09587	8.4
130.07741	3.6
133.10072	16.8
135.11665	6.7
145.10078	100.0
147.11676	6.9
157.10100	18.6
159.11632	27.7
161.13007	4.3
169.10063	24.5
171.11629	23.7
173.13258	15.5
175.14833	5.9
181.09970	5.6
183.11693	24.1
185.13193	15.0
187.14763	4.4
195.11656	4.6
197.13232	8.1
199.14780	6.0
209.13158	6.7
211.14810	7.4
223.14749	7.1
249.16411	4.3
251.17952	4.1
279.21060	4.8
342.77716	3.3
354.17767	3.5
385.28424	5.4
403.29819	28.6
421.30664	17.9
448.58051	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	421.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31859	0.1
53.03924	0.7
55.01846	0.3
67.05465	0.7
68.28946	0.1
69.03385	0.2
78.04674	1.6
79.05471	1.3
81.03376	0.8
81.07023	1.7
82.07352	0.2
83.04975	0.1
85.02882	0.2
91.05433	2.0
93.07004	3.4
95.04925	1.6
95.08566	0.8
103.05443	1.7
105.04507	0.1
105.06992	1.9
106.04156	1.3
107.04922	1.6
107.08565	0.3
109.06426	0.2
109.10096	0.3
117.06913	0.2
118.04128	0.1
119.04911	0.3
119.08501	0.2
121.06455	3.9
121.10113	0.2
122.03600	0.2
123.03459	0.2
123.04377	4.9
124.05170	2.4
131.04901	0.3
131.05989	0.1
133.06433	1.5
134.03543	0.3
134.18816	0.2
135.04309	0.2
135.11615	0.2
137.05931	0.7
148.05154	0.1
149.05927	6.4
149.13243	0.2
151.03871	1.1
151.07523	0.2
152.04645	1.8
159.11551	0.2
161.05905	1.9
165.05486	0.2
166.06206	1.6
167.06972	100.0
168.07269	0.3
180.07771	0.3
181.08525	8.1
193.08542	2.3
209.08014	0.7
211.09584	11.3
223.16974	0.1
241.14320	0.6
242.14476	0.2
295.89609	0.2
359.50476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
56.96555	1.1
57.03423	0.2
61.02900	0.3
69.03396	0.8
73.02885	0.3
78.26970	0.2
78.41475	0.2
83.04945	0.2
85.02870	1.3
87.63377	0.2
89.45267	0.2
91.05441	1.9
93.07005	4.7
95.04950	1.2
97.02850	0.8
98.97547	1.4
99.81705	0.2
100.02155	0.7
103.05441	2.5
110.97555	0.2
111.04433	0.2
115.03837	0.2
116.98582	0.7
117.03312	0.2
119.01838	0.2
119.69566	0.1
121.06464	100.0
122.06813	1.0
123.06979	0.2
124.14484	0.2
127.03823	0.2
131.00160	0.2
134.81929	0.2
134.99603	0.3
135.04350	0.3
136.06152	0.2
138.09097	16.0
143.00140	0.2
146.02689	0.7
146.99556	0.3
147.04346	0.4
152.05635	1.3
155.01561	0.2
156.11275	0.2
161.01192	0.2
163.03847	2.4
187.02739	0.2
219.01656	0.4
225.00655	0.2
237.02744	0.8
254.03844	0.2
259.05966	0.3
294.05063	0.2
339.60928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01857	0.6
55.05487	0.5
57.03410	0.4
57.07051	0.5
60.05308	0.2
61.02896	0.6
67.05482	2.0
69.03407	2.3
69.07047	1.3
71.04951	0.3
72.74521	0.3
72.90900	0.2
73.02878	0.2
79.05460	4.2
81.03390	1.2
81.07024	100.0
85.02878	6.8
87.00799	4.2
87.44197	0.2
91.05438	0.4
93.07025	1.0
95.08572	9.1
97.02857	3.2
98.86381	0.3
98.98277	0.3
99.04432	0.6
102.65680	0.2
105.01830	5.5
105.07015	0.3
107.08566	0.3
108.04452	0.2
109.02843	1.7
109.10109	0.5
117.01794	0.2
119.08501	0.4
121.10133	0.3
121.23830	0.4
127.03863	5.0
129.86510	0.2
131.04922	0.3
135.11661	0.3
137.13208	19.0
145.04935	2.0
145.48520	0.3
148.12013	0.3
154.15767	0.3
159.02879	1.5
167.07011	1.6
168.07469	0.3
231.04918	2.1
248.07675	0.5
249.06047	1.3
284.09717	1.9
348.86279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54406	0.4
56.96567	0.6
57.03414	0.5
61.02871	0.7
69.03408	2.3
69.07051	0.8
71.04974	2.2
74.09691	4.9
79.05451	1.1
81.03380	1.2
81.07030	1.1
83.04948	1.0
85.02873	6.8
88.82696	0.5
91.05435	2.4
93.07042	1.4
95.04916	2.2
95.08572	2.2
97.02849	1.3
97.06507	0.7
105.03349	3.4
105.06987	8.6
107.04920	2.2
107.08559	2.3
109.02850	0.8
109.06528	2.2
109.10126	2.4
111.29559	0.5
115.21661	0.5
117.06956	0.7
119.08536	100.0
121.06480	1.3
121.10104	2.2
123.04408	1.0
123.08020	15.1
123.08826	1.0
125.09615	0.8
127.03871	1.1
128.41806	0.5
131.08516	2.3
133.10114	5.6
135.08018	5.5
135.11646	2.5
137.09586	1.2
145.02808	1.4
145.10091	1.0
147.08047	2.9
159.11629	11.8
161.09566	2.8
161.13188	47.3
163.11139	2.6
167.07047	0.5
177.05441	1.1
177.12700	10.7
179.10655	4.5
193.12245	0.6
205.12167	40.8
218.21558	0.6
223.13214	22.7
234.04425	0.7
241.14282	4.2
295.43112	0.6
300.05792	2.9
330.06717	2.6
338.07184	1.1
384.07770	2.5
387.72537	0.7
396.71353	0.6
419.37192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01874	0.4
55.05480	0.5
57.03432	0.5
59.04986	0.4
61.02885	0.9
67.05471	0.8
69.03407	1.8
69.07048	0.7
71.04968	0.7
74.09683	4.8
79.05450	0.4
81.03391	1.0
81.07020	1.0
83.04938	0.9
85.02867	4.1
88.19865	0.4
91.05437	2.4
93.07020	3.5
95.04929	0.8
95.08558	1.6
97.02861	1.7
97.06493	0.9
99.04422	0.5
105.03345	2.8
105.06988	5.5
106.25365	0.4
107.04876	0.9
107.08539	3.1
109.02819	0.4
109.06460	0.7
109.10118	1.0
111.08057	0.5
117.06983	0.8
119.08540	100.0
121.06461	2.0
121.10121	2.1
123.04372	0.5
123.08022	7.4
127.03909	0.5
128.26050	0.4
131.08525	1.9
133.10092	6.4
135.08018	3.4
135.11652	2.1
137.05981	1.0
137.09543	1.5
139.11099	0.8
144.09340	0.7
145.02788	0.5
145.10071	0.5
147.03134	0.4
147.08008	2.1
151.11104	0.5
159.11627	8.9
161.09615	1.9
161.13197	41.3
163.11195	0.8
170.48692	0.4
177.05466	0.5
177.12680	10.1
179.10606	2.7
193.12270	0.7
205.12186	35.9
223.13206	23.9
241.14240	3.1
300.05774	1.0
305.03040	0.4
317.73221	0.4
377.59839	0.5
384.07745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.2
53.03924	1.0
54.92241	0.2
55.01859	0.3
55.05484	0.5
56.65717	0.2
57.03400	0.3
57.07055	2.3
58.57466	0.2
61.02896	0.4
65.03941	0.2
67.05473	3.9
67.72925	0.2
69.03400	3.7
69.07039	4.5
71.04945	0.5
73.02891	0.5
79.05460	6.2
81.03389	2.5
81.07022	100.0
82.07368	0.5
85.02870	6.3
87.00799	3.9
91.05431	0.3
92.21247	0.2
92.53936	0.2
93.07024	1.2
95.08566	19.2
96.08898	0.3
97.02843	4.6
99.04401	0.9
105.01830	3.9
105.06957	0.3
107.08551	1.0
108.04498	0.3
109.02854	1.8
109.10123	1.9
110.10506	0.4
119.08533	0.4
124.11914	0.2
126.05482	0.2
127.03879	4.7
131.04886	1.5
131.62462	0.2
133.10086	0.3
135.11652	1.3
137.13202	14.2
145.04926	3.2
159.02805	1.7
167.06918	0.3
168.07300	0.3
188.10696	0.5
201.68950	0.2
203.17886	0.3
203.53391	0.3
231.05005	1.5
248.07559	0.3
249.06004	0.4
284.09592	0.5
355.06949	0.2
420.26117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31113	0.3
53.03933	0.6
57.03418	0.4
57.07049	2.8
61.02900	0.6
67.05474	3.7
67.09826	0.4
69.03407	2.7
69.07037	4.4
73.02900	0.5
79.05459	5.6
81.03372	2.7
81.07023	100.0
85.02867	6.8
87.00794	3.9
89.49160	0.4
90.18513	0.3
93.06972	0.5
95.08566	17.4
97.02843	4.9
99.04434	0.7
105.01820	4.6
109.02846	1.9
109.10099	0.7
114.37086	0.6
127.03873	4.6
131.04872	0.9
137.13208	15.1
145.04929	3.3
152.64180	0.4
159.02872	0.8
168.36839	0.3
177.92224	0.4
231.04922	1.7
245.63240	0.4
249.05934	0.5
288.58536	0.4
337.42090	0.6
341.51086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03156	1.1
57.03420	26.9
59.49549	0.6
61.02903	7.3
61.29083	0.5
65.03923	0.9
68.44753	0.6
69.03040	0.7
69.03403	19.1
71.01326	2.5
73.02887	53.5
73.92151	0.6
78.07213	0.6
81.03369	1.3
85.02875	32.9
87.04456	0.8
88.34760	0.7
91.05444	100.0
92.09332	1.4
92.25877	0.6
93.41245	0.6
97.02856	38.0
99.04411	1.1
105.07004	1.6
109.02849	1.3
115.03881	14.9
117.07005	1.3
127.03868	7.2
129.06966	1.1
131.08521	0.7
132.06477	1.0
133.04919	4.9
139.43146	0.7
143.08478	0.9
145.04924	7.6
145.06409	1.0
148.29291	0.7
150.07556	1.5
161.04405	0.8
163.05936	1.0
217.08559	3.8
222.07755	0.8
223.05879	1.3
235.09476	1.2
241.06938	1.4
253.10574	3.0
259.08163	1.0
295.10120	3.5
315.26675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18076	0.6
51.21484	0.6
53.03920	0.7
53.84230	0.5
55.01850	1.2
57.03153	1.3
57.03419	29.6
59.04980	4.4
60.04501	1.4
61.02897	2.6
69.03406	79.4
73.02877	1.6
75.04453	2.6
79.05448	1.0
81.03381	4.0
82.71110	0.6
83.04953	0.8
85.02876	63.6
87.04437	48.3
91.05444	100.0
95.04950	0.6
97.02858	63.2
99.04412	3.4
103.03902	1.6
105.07002	5.7
107.04931	5.5
109.02841	1.1
111.04403	0.8
115.03891	54.9
117.07016	1.3
121.06486	1.4
127.03870	4.8
129.06966	1.5
131.08543	1.2
133.04921	41.8
133.06485	2.7
137.05922	0.9
145.04922	6.5
145.06508	1.2
150.07559	7.0
159.08093	1.0
161.04393	1.0
163.05980	1.0
170.42599	0.6
205.08560	1.4
217.08575	1.0
223.05901	0.9
223.09521	5.3
223.13297	1.1
235.09497	0.8
239.32951	0.7
241.06923	1.0
253.10622	2.4
259.08127	2.8
271.20975	0.7
275.20862	0.6
277.09125	1.0
295.10187	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	420.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.3
55.01848	5.1
55.05471	1.4
56.53229	1.0
57.03428	9.2
59.04980	23.1
61.02885	5.8
67.05457	1.6
68.20270	1.1
69.03397	21.2
71.04950	2.7
73.02870	6.3
75.04438	1.4
79.05450	5.1
81.03390	15.8
81.07029	1.2
83.04923	1.9
85.02371	2.3
85.02877	60.5
87.04441	23.3
91.03924	2.6
91.05453	17.1
93.07008	9.6
95.04900	2.1
97.02288	2.1
97.02860	45.6
99.04400	7.0
103.05429	5.1
105.05466	8.7
105.07001	6.3
107.04883	1.7
107.08581	1.8
109.02834	16.1
109.06456	2.7
115.03904	2.9
115.05449	1.6
117.07023	2.3
119.04907	2.5
119.08537	6.9
121.06444	15.6
123.04409	2.8
127.03861	27.9
133.04968	2.3
133.06445	5.7
133.10083	1.9
134.06720	1.4
135.08041	2.6
136.07532	1.9
137.02362	2.2
137.05968	9.6
137.09526	1.9
138.06258	2.5
145.04897	16.7
145.06041	1.2
145.06451	1.1
145.07527	1.4
147.04370	66.0
147.08005	15.3
149.05928	41.5
151.07498	4.9
159.11655	2.7
161.05934	18.7
161.09612	1.3
163.11156	2.6
165.09042	2.4
172.91753	1.2
175.07491	40.3
177.05406	100.0
179.06952	1.7
193.08540	47.9
195.06398	1.2
205.08542	54.0
205.12187	7.7
223.09572	11.6
223.13190	5.1
231.08595	9.5
233.83089	1.4
241.14265	4.8
249.09666	2.0
287.05356	3.0
288.05771	14.1
333.46207	1.2
337.11972	1.3
356.86664	1.2
370.69290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01859	3.7
57.03154	2.7
57.03416	60.2
59.04977	3.2
61.02892	13.0
67.05482	2.6
69.03400	91.6
69.07033	2.2
71.04965	3.6
71.99704	1.9
73.02503	3.6
73.02883	81.1
75.04463	2.3
79.05448	2.7
81.03373	8.7
81.06992	4.0
83.04932	2.8
85.02380	3.9
85.02873	100.0
85.03383	4.1
87.04431	37.8
91.05458	2.6
93.07006	4.0
95.04937	1.9
95.08540	4.3
97.02849	71.2
97.06494	4.6
99.04383	3.6
105.06991	4.3
107.08566	4.0
109.02827	3.5
109.06490	19.7
109.10117	3.5
115.03884	62.5
119.08574	7.3
121.06504	2.1
121.10066	7.8
123.07991	4.2
127.03865	14.9
133.04913	40.9
133.06458	2.3
133.10074	2.2
137.05885	3.8
137.09569	3.9
145.04915	15.3
145.06500	2.6
145.10080	2.9
150.07574	4.7
159.11662	3.0
163.06018	3.5
163.11147	2.4
175.07472	2.6
180.08699	2.5
205.12204	3.1
223.13260	8.5
233.82628	2.1
241.06969	3.4
241.14270	3.0
247.69704	2.2
258.88312	2.0
259.08093	3.1
379.37296	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39576	1.8
55.05489	13.9
57.03414	4.2
57.07069	3.3
63.73109	2.4
67.05482	32.3
69.03384	3.2
69.07048	39.4
70.58347	2.5
71.04960	18.6
73.06512	2.6
79.05460	22.9
81.07027	98.0
82.07355	12.1
83.08590	11.1
85.02862	2.7
85.06517	85.0
91.05443	27.3
93.07005	61.0
94.07366	3.9
95.04926	2.9
95.08567	93.3
96.08896	4.7
97.06485	10.7
97.10144	3.5
99.08085	4.2
99.26611	2.5
105.07003	55.4
106.07329	6.0
107.08559	100.0
108.08861	3.7
108.69397	2.4
109.10119	64.8
110.10424	5.3
111.08070	11.5
117.06982	11.3
119.08534	87.7
120.08898	17.7
120.93626	2.5
121.10088	47.7
123.08006	4.8
123.11678	28.2
127.11152	11.9
128.11464	3.6
129.06978	4.2
131.08516	13.7
133.10092	60.2
135.11655	84.4
136.12004	15.9
137.02325	2.8
137.13254	9.7
143.08508	9.9
145.10123	24.1
147.11667	48.1
148.12030	3.0
149.13246	27.7
151.11026	3.2
157.10089	6.4
159.11661	21.0
161.13206	26.6
163.03888	2.8
163.14777	32.8
173.13261	12.4
175.14767	24.7
177.16322	10.3
179.14278	4.1
185.13206	4.2
187.14774	10.6
187.16388	2.6
189.16306	42.7
189.66084	2.9
191.18008	5.6
199.14684	3.7
201.16353	12.2
203.17899	22.9
204.18208	21.3
207.17410	49.0
213.16362	4.1
215.17944	5.8
217.19395	2.8
221.18904	21.1
222.19278	29.5
229.19376	3.6
245.18742	3.3
247.20439	3.3
255.20836	2.8
285.03818	2.5
286.34698	2.6
299.05444	21.8
300.06082	6.1
311.05457	4.2
313.06903	4.7
316.37686	2.7
323.05026	2.8
325.06824	4.2
329.06497	10.4
337.07172	5.3
341.19376	2.4
353.06589	9.2
365.06549	3.6
371.33005	39.0
383.07404	11.3
383.32962	56.2
389.34009	5.5
401.08621	4.1
401.34143	28.7
419.09344	4.6
419.34781	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	420.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01900	1.1
50.15007	1.3
52.17625	1.1
53.53237	1.1
53.53492	1.0
53.76308	1.1
55.01850	2.0
57.03407	1.8
64.32202	1.5
67.05476	2.8
69.03398	6.3
70.35748	1.3
72.41096	1.1
77.76161	1.1
81.03372	7.0
83.04950	8.3
85.02856	10.8
91.05444	6.2
92.62220	1.4
93.03407	1.6
94.93085	1.3
95.04921	8.2
97.02851	3.1
103.05420	5.1
105.06992	52.9
106.02890	11.5
107.04908	2.1
109.02872	1.6
111.04380	6.4
113.02501	1.6
115.05424	13.4
117.06982	1.7
118.04115	1.6
119.04917	1.8
121.02725	1.4
123.04366	16.4
124.03899	23.8
127.03894	2.6
128.06114	1.5
129.05388	1.9
131.04855	5.0
133.02815	3.3
133.06444	61.3
135.04372	2.6
137.05962	9.5
139.03867	5.2
143.06024	5.0
145.06432	5.2
147.04346	7.1
147.08026	2.6
149.05922	1.5
150.03021	3.2
151.03865	12.8
153.05382	3.1
157.04977	2.0
157.06288	1.9
161.05917	100.0
162.06409	1.4
163.03757	1.5
165.05397	5.9
167.03323	3.0
167.06969	26.1
169.04919	5.2
173.05939	6.9
175.03793	2.2
175.05957	2.3
178.02571	17.4
178.06210	1.7
183.06493	14.9
185.05782	1.9
189.05455	1.5
190.06259	1.7
191.06989	2.3
193.04889	51.8
193.08530	49.2
201.05301	2.5
203.06903	2.2
205.08588	5.7
207.06438	5.4
211.05797	1.8
211.66379	1.6
219.06488	5.9
229.04849	2.0
231.06432	3.0
232.04858	2.3
233.04395	7.5
233.07942	5.1
234.05229	1.6
235.09708	1.6
251.09055	14.6
259.05865	1.9
261.07471	9.6
268.08099	6.8
274.04626	1.7
275.08884	2.5
279.08542	2.3
289.06952	5.7
293.10101	2.8
303.45587	1.3
305.09979	2.9
305.86771	1.4
307.07971	10.6
339.70609	1.3
367.10242	2.5
385.11133	25.8
420.15106	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06571	0.8
55.01837	1.0
60.92400	0.7
62.51721	0.7
98.87524	0.9
99.00771	0.9
99.04390	3.8
102.49580	0.9
111.04414	4.3
125.05945	13.8
141.05414	3.3
144.72566	0.8
148.07054	1.0
149.99594	0.9
153.05420	100.0
154.26463	0.8
232.52309	1.1
246.17345	0.9
419.35037	22.2
422.14066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2628
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.93304	1.7
54.50177	1.5
54.80766	2.1
55.05486	7.5
57.41662	1.7
67.05467	4.1
67.54043	1.8
69.07034	10.9
71.04958	18.8
79.05459	23.3
81.06549	3.7
81.07025	100.0
83.08595	4.6
85.02880	3.7
90.86061	1.8
91.05444	9.0
91.40086	1.8
93.07014	30.8
95.08580	24.3
99.08070	2.8
105.06999	21.2
107.08558	60.2
109.10127	22.6
119.08540	27.0
121.10087	9.2
123.11659	10.8
127.11150	11.2
133.10074	30.4
135.11639	91.8
137.13147	3.5
143.10631	17.7
145.10120	1.9
147.11635	16.2
149.13261	3.5
157.82590	2.4
161.13219	13.1
163.14714	1.9
177.74507	1.8
195.97095	2.0
203.17889	33.6
221.18935	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36851	1.4
51.24029	1.2
53.03921	2.1
55.05497	7.5
57.07055	1.6
67.05490	9.5
69.07052	8.6
69.20020	1.2
71.04969	18.2
79.05474	17.2
81.07035	100.0
83.08592	3.4
85.02892	12.8
85.06516	1.3
91.05465	6.5
93.07017	36.8
95.08577	25.3
99.08047	2.2
105.07011	29.8
107.08569	51.7
109.10128	25.8
115.55392	1.2
119.08553	44.0
119.09406	1.7
121.10139	10.6
123.11684	16.5
125.09579	2.6
127.03860	1.8
127.11137	17.7
127.80058	1.4
131.08537	1.9
133.10092	24.9
135.11656	79.8
137.13205	1.9
143.10658	9.3
145.10100	2.7
147.11633	18.5
149.13240	2.9
153.12639	1.7
161.13229	13.1
163.14806	2.0
203.17934	31.1
221.18938	27.8
315.57162	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05484	1.0
65.76735	0.5
67.05450	0.6
69.07025	0.7
71.04954	0.8
79.05466	1.2
81.03376	0.6
81.07021	4.3
85.02861	0.8
91.05450	2.2
91.23576	0.7
93.06998	2.8
95.04955	0.6
95.08563	2.9
98.43556	0.5
105.07008	3.7
107.04926	1.0
107.08550	2.5
109.10117	1.2
117.06973	0.6
119.08540	2.6
121.10097	1.1
131.08562	0.9
133.10089	0.9
135.11591	1.1
137.02229	0.7
147.11703	1.2
159.08005	0.7
167.06990	3.4
173.05959	1.1
194.57430	0.5
203.05159	5.2
203.17886	0.7
204.18182	0.7
205.08557	0.8
246.37459	0.6
257.14886	1.0
299.05374	4.6
313.07034	1.0
315.08536	2.3
325.06845	1.2
329.06366	2.4
330.10849	1.0
337.06778	2.3
353.06500	2.6
365.06378	0.9
383.07553	3.0
419.20251	100.0
420.20679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.4
53.03922	2.4
55.01837	1.0
55.05497	10.1
55.65807	0.5
57.03410	0.7
57.07047	2.3
59.04948	1.9
61.02902	1.2
65.03893	0.9
67.05473	7.6
69.03400	5.6
69.07047	11.5
71.04965	28.4
73.06513	4.6
78.24744	0.5
79.05464	22.6
81.03384	1.2
81.07026	100.0
83.08604	4.1
85.02876	12.5
85.06512	1.4
87.00791	2.5
91.05441	9.5
93.06423	1.3
93.07008	36.5
95.04928	2.6
95.08572	19.5
97.02844	1.1
97.06488	1.5
97.10128	1.0
99.04382	0.7
99.08068	2.3
99.51596	0.5
105.01821	1.1
105.06992	20.5
107.04899	0.7
107.08559	50.9
109.02907	1.1
109.06487	1.3
109.10127	21.3
109.10870	0.9
111.08079	0.6
111.11645	0.8
117.06996	1.1
119.08541	36.6
121.10098	6.6
123.11662	9.7
125.09583	1.1
127.03867	3.3
127.11148	7.8
131.08498	2.1
133.10083	22.8
135.04388	0.7
135.11647	73.0
136.12039	0.6
137.02307	1.0
137.13184	1.2
139.11136	0.7
143.10629	5.2
145.04869	1.0
145.10100	2.3
147.11659	10.8
149.13211	2.7
153.12694	46.6
154.13092	0.8
159.11555	1.2
161.13205	6.4
163.14691	1.1
165.01807	1.1
165.12772	0.9
167.06960	1.1
175.14709	0.7
177.18962	0.7
183.02844	0.8
203.17896	18.8
221.18971	11.7
287.05389	1.1
299.05405	9.8
300.06012	2.3
311.05164	1.0
313.06870	1.4
325.06995	3.9
329.06448	5.6
337.07001	4.2
353.06427	5.7
365.06525	2.7
380.36362	0.6
381.99124	0.6
383.07358	6.2
399.08768	0.6
401.08630	1.1
419.09708	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	419.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.8
55.01855	0.6
55.05489	3.9
55.26848	0.6
59.04977	1.5
60.02968	0.6
60.06751	0.6
62.24151	0.6
67.05477	1.3
69.03406	5.4
69.07052	5.9
71.04967	36.3
73.06522	9.9
79.05458	9.0
81.03413	0.9
81.07026	52.5
83.08582	0.9
85.02866	10.3
86.05968	0.7
87.00794	7.0
91.05442	4.2
93.07012	23.5
95.04935	1.0
95.08564	5.0
97.02865	1.5
97.06512	3.6
102.17303	0.7
105.01842	4.7
105.06997	4.4
107.08568	24.5
109.02830	1.1
109.10111	5.3
119.08560	3.0
127.03873	3.5
127.70283	0.8
133.10114	1.2
135.11646	40.5
140.49127	0.7
153.12697	100.0
156.35681	0.7
159.08067	0.8
167.07014	6.1
168.07297	1.7
173.05891	1.1
186.74586	0.7
221.18910	0.9
229.29529	0.7
234.02322	0.7
239.33289	0.7
287.05417	1.5
299.05490	5.4
315.08798	1.0
325.06970	1.2
329.06671	1.0
337.07053	1.5
353.06479	1.0
383.07513	3.2
384.07581	0.7
419.09531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.9
53.03933	5.7
55.01851	16.1
55.05490	21.0
57.03413	14.0
57.07057	22.0
59.04973	4.4
61.02893	12.7
67.05475	11.7
67.44012	2.1
68.99764	10.2
69.03406	59.5
69.07042	11.3
71.04964	66.8
73.02892	4.0
73.06512	9.0
77.70029	2.2
79.05458	23.7
81.03387	36.6
81.07025	72.7
83.04958	4.6
85.02367	4.3
85.02874	100.0
85.06489	4.0
87.00795	51.7
91.05428	32.0
93.07008	67.6
95.04917	10.3
95.08570	27.5
97.02852	36.5
97.06458	8.0
99.04419	4.7
99.08074	2.5
101.71462	2.4
105.01826	28.0
105.07008	39.2
107.04939	4.4
107.08565	54.7
109.02837	21.4
109.06493	16.8
109.10116	17.9
114.35342	2.5
115.03873	14.8
116.99527	2.2
117.06975	15.5
117.42093	2.6
119.08539	33.4
121.02808	4.6
121.06437	9.3
121.10094	9.9
122.10479	2.4
123.08018	4.7
123.11655	5.2
123.27622	2.8
127.03869	33.2
127.07591	2.3
128.06187	4.3
129.01801	4.4
129.06955	11.8
130.07759	2.8
131.08554	17.4
133.06403	5.5
133.10086	12.4
135.04353	5.2
135.07982	4.2
135.11635	39.6
136.11931	2.6
137.02266	22.4
137.09540	3.4
137.13182	6.0
140.48357	2.4
141.16861	2.5
143.08510	12.1
145.04935	4.0
145.06432	5.4
145.10095	21.0
147.08046	20.8
147.11653	6.0
149.09616	4.2
151.03825	3.1
151.11203	3.4
153.12689	83.1
153.13809	4.7
155.08588	2.9
159.02873	4.9
159.07985	10.4
159.11626	5.3
161.02225	5.0
161.13243	3.0
163.03841	4.7
165.01823	16.6
165.12694	17.3
167.07008	9.6
171.08003	11.4
171.11487	3.2
173.09583	23.0
173.13275	3.0
177.12703	4.5
179.03345	2.7
181.04924	3.6
183.02858	4.5
189.12717	4.6
191.10645	3.2
201.12489	4.3
203.03410	4.0
217.08543	2.7
221.04436	3.4
231.04976	8.9
243.13805	11.8
254.05771	3.1
261.14859	10.4
283.05988	4.1
287.05405	36.1
295.05960	3.3
297.07513	13.9
299.05396	98.7
300.06152	19.4
311.05453	13.4
313.03616	3.0
313.06906	20.0
315.08331	3.3
323.05542	3.5
325.06912	25.3
327.08386	5.3
329.06470	49.4
330.11050	3.1
337.06921	41.6
339.17990	3.9
341.06342	8.8
347.14850	5.2
353.06461	46.9
355.08041	3.4
365.06430	27.7
365.15851	11.1
383.07443	57.3
383.16614	5.6
401.08365	16.8
419.09595	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	419.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83706	1.3
51.59608	1.6
52.83498	1.2
53.00288	2.4
53.03920	7.6
54.81034	2.3
55.01847	7.6
55.05492	10.4
57.03402	4.1
57.06803	1.3
57.07055	11.8
57.07273	1.1
59.04967	3.4
61.02891	6.3
67.05472	6.7
68.99737	1.9
69.03402	32.2
69.07053	15.0
71.04964	50.0
73.02878	3.7
73.06516	8.6
79.05442	14.0
81.03393	21.1
81.06546	3.2
81.07021	72.8
83.08585	3.6
85.02872	54.9
85.06504	2.3
85.07262	1.7
87.00804	27.5
91.03965	1.5
91.05458	12.4
93.07010	46.1
94.02413	1.6
95.04901	2.9
95.08570	25.7
97.02861	24.0
97.06477	9.1
99.04413	8.1
99.08002	2.0
101.98177	1.7
105.01818	13.3
105.07018	23.0
107.08562	45.0
109.02852	9.9
109.06487	9.8
109.10130	20.9
111.08025	2.1
114.36181	1.6
117.06939	2.2
119.08541	39.4
121.06450	2.3
121.10107	3.9
123.08040	2.0
123.11639	3.2
127.03884	17.4
127.11143	9.8
129.01768	3.0
131.08530	4.0
133.10098	10.1
135.04378	3.2
135.08090	1.7
135.11646	60.7
137.02261	2.9
137.13165	2.6
145.02867	2.1
145.04915	7.1
145.10097	2.5
147.11681	11.3
153.05428	1.7
153.12695	100.0
159.02884	2.0
159.07961	1.9
163.03896	3.9
164.04076	1.7
171.07982	2.0
173.09561	2.5
177.12726	1.9
203.17920	12.0
221.18933	26.7
236.15967	1.7
239.20044	3.3
243.13815	2.2
287.05432	8.1
291.40125	1.9
299.05548	11.4
313.07007	2.1
325.06848	2.5
329.06339	3.2
337.06876	2.8
353.06378	2.7
365.06082	2.6
383.07407	7.1
419.09290	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	419.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51542	0.9
51.81305	1.0
53.00286	5.1
53.03915	7.3
55.01856	15.8
55.05494	15.2
57.03416	11.7
57.06831	0.9
57.07056	14.6
59.04965	4.5
61.02897	11.1
65.03905	1.2
67.05482	11.1
68.99771	10.8
69.03036	2.1
69.03405	63.2
69.07038	17.0
70.06550	1.3
71.01315	1.0
71.04572	2.0
71.04963	54.5
73.02887	9.1
73.06514	7.4
79.05460	20.4
81.02951	1.8
81.03387	36.5
81.06551	1.9
81.07024	57.4
83.01276	1.3
83.04945	4.7
83.08585	2.9
85.02875	100.0
85.06512	4.7
87.00268	2.6
87.00798	65.5
87.04445	2.0
91.03925	1.4
91.05438	25.2
93.07005	51.1
95.04932	9.1
95.08567	14.3
97.02857	42.1
97.06465	7.8
99.04392	8.6
99.08013	1.5
103.03920	2.2
105.01829	32.9
105.07002	26.6
107.04934	8.0
107.08562	46.1
109.02846	25.2
109.06484	13.7
109.10117	13.3
111.04398	1.5
111.08044	2.6
115.03899	9.9
115.05415	1.6
117.01824	2.2
117.06982	8.1
119.04877	2.2
119.08526	30.4
121.02811	4.3
121.06458	7.4
121.10084	4.8
123.04398	2.7
123.08021	6.7
123.11667	1.8
127.03874	38.7
128.06142	5.1
129.01758	5.5
129.06949	5.1
130.07764	2.5
131.08537	14.4
133.06441	5.1
133.10089	4.4
135.04344	11.0
135.08026	2.5
135.11646	41.1
137.02299	29.6
137.05905	2.3
137.09567	2.4
137.13202	2.7
141.01738	1.9
143.08530	10.2
145.04904	8.1
145.06447	2.2
145.10101	12.5
147.04324	4.3
147.07968	13.4
147.11646	6.2
149.05989	1.5
151.07495	1.6
151.11090	2.6
153.01793	1.5
153.12700	82.6
155.08522	5.4
157.06430	1.2
157.10136	1.7
158.07130	1.2
159.02898	8.9
159.04123	1.3
159.08025	1.9
159.11620	4.9
161.02286	5.6
161.13147	2.0
163.03862	8.2
163.11163	2.5
165.01758	15.2
165.12648	8.8
167.03336	4.6
171.07986	5.5
171.11652	1.7
172.08755	1.3
173.09540	15.6
173.13161	1.8
175.03841	2.5
175.07468	5.3
175.10983	1.9
177.01741	2.3
177.12668	4.4
179.03358	7.3
183.02843	7.5
183.11705	1.4
187.03859	1.6
189.04010	1.3
189.12685	4.3
191.03419	4.8
191.10608	7.6
195.02814	1.9
197.13167	2.0
201.03879	2.7
201.12715	1.7
203.03366	5.8
203.17947	1.6
205.04802	2.5
215.14297	1.4
219.13770	1.7
221.18959	2.3
229.04749	4.6
231.02844	1.6
231.04900	5.2
243.13762	9.9
249.03906	1.5
261.14716	7.0
271.05954	4.6
272.06671	5.7
279.15881	1.9
283.05927	6.0
287.05399	15.4
295.05978	2.3
297.07388	9.0
297.16962	1.5
299.05405	82.9
300.06134	22.1
301.06656	1.5
309.07428	2.1
311.05380	18.9
313.06961	21.5
323.05554	1.8
325.06940	32.8
327.08530	6.7
329.06451	56.4
337.06943	31.7
341.06329	9.8
347.14786	2.8
353.06454	42.4
355.07870	6.5
359.07556	4.9
365.06427	24.3
365.15775	9.0
383.07480	57.9
383.17142	4.4
401.08459	17.8
419.09518	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79583	1.6
53.03915	6.4
53.86321	1.5
55.01849	9.6
55.05486	3.8
57.93978	1.8
61.02906	2.4
65.03915	10.1
67.05482	12.3
69.03403	4.6
69.07025	2.4
71.04957	7.1
73.02874	2.0
79.05453	12.4
81.03373	2.7
81.07033	15.7
83.04955	16.0
85.02872	13.1
85.06532	1.7
91.05449	16.6
93.03349	3.5
93.07008	10.3
93.72462	1.8
94.04168	2.1
95.04934	43.1
95.08591	14.2
97.02856	3.5
97.06470	4.5
99.04405	3.0
103.05434	7.3
105.03385	3.1
105.06986	21.5
106.04118	10.9
107.04906	13.2
107.08571	11.2
108.02041	2.5
108.08922	2.6
109.02796	2.2
109.06483	2.1
109.10117	4.0
111.04476	2.6
111.65457	1.8
115.05419	13.3
116.06229	2.7
117.06973	9.1
118.00124	1.6
119.08517	3.1
120.75719	1.7
121.02800	3.7
121.06449	17.5
121.10126	3.5
122.03600	2.4
123.04384	28.3
123.08052	2.1
123.11647	11.2
125.05991	4.3
128.06194	15.4
129.06998	18.5
131.04871	4.6
131.08536	26.7
133.06465	9.2
133.10098	4.4
135.04366	4.4
135.11644	2.6
137.02298	11.4
137.05945	4.6
137.09554	1.9
139.03864	3.4
140.04602	14.3
141.06938	19.7
142.07744	9.3
143.08504	7.6
144.05611	15.6
145.06425	15.9
145.10056	3.0
147.04381	2.2
147.08061	1.8
147.11723	2.6
149.04909	1.9
149.05916	16.5
151.03879	13.0
152.04601	1.8
152.06189	1.8
153.05463	2.8
153.06943	8.8
155.07016	6.5
156.05688	17.3
157.06439	11.1
158.07249	7.3
159.04358	2.4
159.07993	31.0
160.05089	2.5
161.02341	3.3
161.05922	13.4
163.03848	4.4
163.11208	8.3
164.11484	2.3
165.01785	8.1
167.06984	33.7
168.04163	8.2
170.05760	3.8
170.07201	60.0
171.06592	3.1
171.07942	18.3
173.05948	11.6
174.06671	3.2
175.07510	8.6
177.05418	9.9
179.03404	2.4
181.04855	2.7
181.08484	9.8
183.02832	9.7
183.06451	38.3
184.05132	3.4
185.05850	2.2
186.06790	3.9
187.07449	31.8
189.05423	9.0
189.08968	2.7
190.06223	3.0
191.07001	6.9
193.08574	8.1
198.06758	13.1
199.07573	11.0
201.05424	7.8
202.06169	7.7
203.06941	29.8
203.08485	2.6
204.07762	4.1
205.04807	2.1
205.06581	2.3
205.08365	4.5
206.07271	3.1
207.08101	2.4
208.05298	2.6
208.08859	2.1
209.08028	9.8
216.07738	23.0
217.06526	2.2
217.08527	43.7
218.09273	30.1
219.07982	13.2
219.10114	46.1
220.08755	2.2
221.05937	3.2
221.09579	2.2
221.15297	1.9
223.07516	2.5
231.08054	3.2
231.10089	53.8
232.10902	2.0
234.06734	3.3
235.07442	7.3
236.08183	2.6
247.07425	8.0
247.09637	2.9
248.08162	3.6
249.05588	2.8
249.08975	8.2
251.10652	1.9
254.05832	2.1
263.06891	7.2
263.10587	3.4
264.07822	4.4
265.08456	2.3
267.10123	2.1
269.07724	2.6
271.09402	2.6
272.06476	2.3
277.08530	10.4
279.06537	3.8
279.10114	7.9
281.07928	2.4
287.05392	25.1
290.09286	2.8
291.09964	3.0
293.08072	2.3
295.09549	2.0
297.07483	7.5
297.10641	2.6
299.05438	44.8
300.06207	10.7
305.08044	7.4
307.09628	8.1
308.10330	3.2
309.07584	3.4
309.11069	3.7
311.05316	6.9
311.12665	3.6
313.06989	10.2
315.08603	12.2
322.08215	3.2
323.12671	2.7
325.06955	13.8
329.06482	25.8
330.10782	11.5
337.06906	20.2
337.10620	10.6
341.06622	3.6
341.13928	2.6
353.06433	21.4
355.08054	3.6
359.14584	3.9
365.06335	16.5
369.13306	20.0
371.14777	2.0
383.07382	32.3
383.14841	7.0
387.14154	16.4
391.17395	8.1
401.07806	5.9
401.15781	100.0
419.09457	20.6
419.17032	4.2
419.22125	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	419.0966
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
51.41603	1.1
52.79499	1.3
55.01845	2.7
55.05491	7.1
57.03403	1.5
63.28173	1.3
67.05481	2.4
67.50832	1.5
68.99743	1.3
69.03392	2.0
69.07024	3.6
71.04965	5.8
79.01820	8.0
79.05443	9.3
81.03388	2.5
81.07022	39.9
85.02856	3.5
91.05444	3.7
93.07018	14.6
95.04905	1.9
95.08561	7.4
98.97509	2.1
105.07010	14.5
107.04921	1.7
107.08568	19.2
109.10117	9.1
116.98573	2.1
119.08521	16.0
121.02837	1.9
121.10085	3.7
123.11652	6.7
127.03880	1.8
127.11134	3.1
131.08568	2.5
133.10069	13.3
135.04340	6.1
135.11641	29.2
137.02307	31.6
143.10623	3.0
147.11652	7.0
161.02267	6.1
161.13217	3.6
163.03848	2.5
165.01805	3.2
167.06978	2.9
179.03308	1.8
181.06462	2.3
183.02846	2.3
203.03285	3.2
203.17856	12.1
205.04935	9.5
221.18953	16.6
226.58972	1.6
227.07002	2.9
228.14027	1.5
229.04843	11.7
231.02835	2.0
237.02956	1.9
237.05240	1.6
237.14137	2.5
246.14801	3.8
246.64958	2.4
247.05898	2.8
249.03839	6.4
249.88080	1.7
257.20752	1.9
271.05807	12.4
272.06610	15.6
283.05914	2.9
287.05402	8.6
297.07217	1.7
299.01944	3.5
299.05389	98.7
300.06161	67.4
311.05322	25.0
313.06955	55.2
324.05963	2.2
325.07022	15.7
327.05008	2.9
327.08542	12.6
329.06427	100.0
337.06870	16.5
341.06372	16.7
349.24158	1.5
353.06400	57.8
355.07947	10.3
359.07562	14.4
365.06421	11.1
383.07452	94.6
401.08527	41.5
419.09549	84.2
419.18323	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18084	1.8
53.03923	3.0
55.01850	10.5
55.05484	3.4
65.03902	10.0
67.05463	10.5
69.03387	4.6
69.07027	4.1
71.04961	8.2
73.02884	2.8
79.05451	12.6
81.03389	4.4
81.07035	16.3
83.04950	3.7
85.02876	17.3
87.00794	2.3
87.66359	1.9
91.05444	14.7
93.06990	9.0
95.04925	44.8
95.08575	9.6
97.02840	4.3
99.04402	2.3
105.06978	14.2
106.04138	2.3
107.04907	12.3
107.08550	13.4
109.02834	11.6
109.06487	2.5
109.10103	5.2
111.04428	3.6
111.08038	2.8
113.02290	2.4
115.05392	4.4
117.06979	9.8
119.08554	2.2
121.02831	12.9
121.06487	4.6
121.10085	4.2
123.04374	27.5
123.11597	4.3
125.05978	2.6
127.03903	2.7
128.06171	17.7
129.06973	15.9
131.04901	3.9
131.08560	23.3
133.06392	2.5
133.10085	4.4
135.04338	5.2
135.11630	3.9
137.02281	13.7
137.05904	4.5
140.04637	9.8
141.05341	2.3
141.06927	18.2
142.07681	8.5
143.08484	8.7
144.05652	18.7
145.06451	16.2
149.05946	3.7
151.03836	14.4
153.06955	5.0
155.04817	3.3
155.06982	7.7
156.05627	19.1
157.06432	14.0
158.07202	4.1
159.04349	2.7
159.07999	32.3
160.05147	5.0
161.02281	8.4
161.05902	9.4
163.03876	4.2
163.11086	3.1
165.01781	13.6
167.06921	15.6
168.04152	5.0
169.06393	9.9
169.07684	2.6
170.07217	51.7
171.06590	3.2
171.07935	23.0
172.05045	5.3
173.05952	12.6
174.06705	5.3
175.07509	5.2
179.03246	3.1
181.04967	3.0
183.02837	11.3
183.06438	39.0
184.05157	3.6
185.05919	3.4
186.06746	2.6
187.07462	41.7
188.08296	4.4
189.05447	12.0
189.09048	2.4
191.06952	4.9
193.08484	4.0
198.06667	15.9
199.07521	8.1
202.06175	9.4
203.03499	2.9
203.06961	41.3
203.08667	3.3
204.07668	4.9
205.08437	4.5
216.07736	22.7
217.08553	35.2
218.07346	4.8
218.09229	27.0
219.07991	4.7
219.10088	56.8
231.07797	2.9
231.10065	61.2
232.10803	2.7
247.07558	2.9
248.08148	2.7
249.08830	4.0
249.11154	8.7
272.06738	3.5
276.07620	3.2
277.08478	10.4
279.10123	2.9
283.05838	4.6
287.05402	22.5
293.08249	3.4
295.05930	2.9
297.07571	10.4
299.05405	81.2
300.06116	17.6
305.08105	3.4
307.06088	2.8
307.09473	3.9
309.07565	3.6
311.05383	12.5
313.06958	22.8
315.08563	4.7
323.05316	3.8
325.06885	29.3
327.08386	3.0
329.06549	42.1
330.10779	3.9
337.06958	34.9
337.10641	8.2
341.06516	3.4
353.06409	41.2
355.08063	4.4
365.06458	23.5
369.13046	10.4
383.07510	52.8
383.12332	2.9
383.14615	3.8
401.08731	9.0
401.15829	100.0
419.09631	31.4
419.14810	3.7
419.22107	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0963
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
50.01059	1.0
55.78333	1.1
57.27116	1.2
59.42181	1.3
62.92840	1.1
79.01824	6.4
85.02862	1.6
114.34684	1.6
121.02831	2.2
135.04390	5.3
136.52985	1.7
137.02298	24.7
161.02304	2.5
165.01778	5.1
167.03297	1.9
171.02913	1.5
179.03357	2.3
179.09061	1.4
183.02704	1.6
187.04010	1.4
191.03380	1.7
203.03410	2.1
205.04971	5.4
229.04884	7.7
231.02780	3.3
243.06491	1.7
244.07304	1.9
247.06035	1.8
249.03873	3.3
271.05890	12.3
272.06561	13.3
280.79605	1.4
287.05353	2.7
295.05865	1.7
299.05392	77.3
300.06177	56.0
301.06943	2.3
311.05441	22.1
313.06924	52.3
321.07574	2.9
324.05978	2.2
325.06909	14.6
327.05035	3.0
327.08606	13.9
329.06427	82.5
337.06995	15.1
341.06390	13.0
343.08167	2.3
353.06412	39.9
355.07797	12.7
359.07510	10.4
365.06485	8.9
383.07446	71.2
401.08557	28.0
419.09616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0966
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
53.03919	1.6
55.01848	6.3
55.05503	4.1
59.04964	1.2
67.05476	2.5
68.99769	4.6
69.03401	2.5
69.07027	2.0
70.29062	0.9
71.04964	7.3
79.05453	8.9
81.03388	2.8
81.07021	16.8
85.02859	5.6
87.00802	1.0
89.15429	1.1
91.03881	1.0
91.05447	6.2
93.03368	1.8
93.07001	11.9
95.04922	4.9
95.08561	5.6
97.02831	1.3
99.34000	1.2
105.06984	7.4
106.04163	1.2
107.04938	9.2
107.08554	9.8
109.02822	1.4
109.10124	5.6
111.04366	1.6
117.06944	1.9
119.08532	6.6
121.02813	5.3
121.06468	1.5
121.10076	1.4
123.04392	2.4
124.05107	1.5
124.84085	1.1
131.08556	1.9
133.10062	5.2
135.04337	10.3
135.11652	15.0
137.02312	22.1
141.01785	2.4
144.05681	1.4
145.06480	1.8
147.04385	1.7
147.11684	1.8
149.02324	2.2
149.05933	1.3
153.05412	1.8
153.12677	19.6
153.13821	1.5
159.07993	1.9
161.02286	6.2
161.05884	2.0
163.03857	6.6
165.01796	21.3
167.03366	5.6
167.06979	15.3
173.06010	2.3
173.16655	1.4
175.03857	2.2
177.05399	1.4
179.03352	7.9
181.04848	4.5
181.08595	2.0
183.02837	9.1
187.03778	1.6
187.07532	1.3
189.01843	1.8
191.03316	1.9
195.02722	1.7
203.03314	9.8
203.17877	2.7
205.08391	1.9
219.07942	1.2
219.10007	1.9
220.73958	1.1
221.04358	2.4
221.19012	1.9
235.07463	1.5
247.07474	1.5
248.08511	1.6
255.06302	1.7
271.05923	1.7
272.06522	1.5
277.08640	2.1
283.05856	9.3
284.06320	2.0
285.06946	1.4
286.04565	5.5
287.05334	15.0
293.07870	2.0
295.05823	8.1
297.07529	16.4
299.05392	100.0
300.06146	14.2
307.09464	2.8
309.07590	6.2
311.05328	17.2
313.06915	20.8
315.07651	1.6
323.05478	8.1
325.03265	2.3
325.06952	39.9
327.08469	7.0
329.06445	54.0
337.06927	48.8
341.06625	8.7
353.06424	57.0
355.08011	5.2
365.06332	30.9
369.13278	6.3
383.07410	72.7
389.15402	1.8
401.08414	14.4
401.15869	9.4
419.09500	23.0
419.16669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0961
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
53.03933	0.4
54.81110	0.5
55.01852	4.9
59.27977	0.4
61.02890	0.8
65.03908	0.7
68.99760	3.6
69.03393	1.0
69.07029	0.4
73.18552	0.3
76.05878	0.3
79.05441	2.1
81.03365	2.0
81.07034	0.4
85.02863	1.0
89.03896	0.5
91.05415	0.9
92.99759	0.6
93.03352	0.8
95.04921	0.7
97.02835	0.8
105.03352	0.5
107.04906	2.1
109.02831	0.9
109.10023	0.5
117.03304	0.7
121.02808	5.2
131.04848	0.8
133.02795	0.4
135.04358	7.4
137.02298	17.3
137.03334	1.0
141.01787	3.9
145.02832	3.6
146.03098	0.8
147.04381	2.6
149.02272	2.6
153.01755	0.6
161.02252	7.2
163.03827	4.2
165.01773	24.1
167.03375	4.6
169.02734	0.8
174.50008	0.5
175.03772	3.2
177.01778	2.3
177.05383	4.2
178.05777	0.9
179.03325	7.4
181.04878	1.0
183.02823	10.9
184.55280	0.4
187.03827	1.0
189.01711	0.7
191.03300	2.5
193.04901	1.9
195.02806	2.1
203.03305	8.4
204.10748	0.4
207.02846	1.8
209.04323	0.6
221.04283	3.2
229.04919	0.5
231.02780	1.7
235.07561	0.5
243.06357	0.4
245.04347	2.8
249.03900	1.8
255.06459	2.2
258.05029	0.5
269.04379	0.6
271.05865	0.5
272.06625	0.7
275.92224	0.5
283.05823	9.4
286.04623	4.9
287.05371	7.6
289.03268	1.7
295.05936	3.9
297.04233	0.8
297.07471	9.9
299.05380	100.0
300.06100	12.0
309.07480	6.2
311.05392	17.7
311.09030	0.7
313.03311	1.1
313.06894	20.3
319.05762	0.5
321.07452	1.9
323.05301	4.3
324.05930	0.6
325.03452	1.5
325.06900	30.7
327.05127	0.7
327.08490	4.6
329.06421	54.3
337.06924	49.5
339.04700	0.7
341.06393	10.3
353.06406	35.4
355.08044	4.1
365.06393	36.2
383.07446	68.6
401.08514	15.6
401.13583	0.4
419.09537	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	419.0962
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
54.34986	0.4
55.01855	6.3
57.69599	0.4
65.03923	0.5
68.99449	0.6
68.99750	4.3
69.03395	0.7
70.49390	0.4
71.04957	0.5
79.05479	2.2
81.03380	0.8
84.98781	0.4
85.02888	0.6
91.05425	1.0
93.07027	0.7
93.88942	0.5
95.04936	0.8
97.02849	1.0
99.20998	0.6
99.89366	0.5
105.03365	1.0
105.06975	1.1
107.04937	0.8
107.27853	0.5
109.02843	1.1
110.72166	0.5
111.04375	0.9
117.03351	0.6
119.04917	1.0
119.08553	0.8
121.02807	5.6
127.03886	1.1
131.04897	0.9
135.04376	8.4
137.02296	16.4
137.03300	0.7
141.01785	4.2
145.02840	1.1
147.04366	3.1
149.02319	2.2
151.03780	0.7
153.01869	0.7
153.12698	0.9
159.04362	0.8
161.02290	8.8
163.03833	6.7
165.00360	0.9
165.01776	26.7
165.05527	0.5
167.03413	4.3
170.63210	0.6
175.03845	4.7
177.01797	2.3
179.03325	9.3
181.04898	2.3
183.02834	11.1
187.03853	1.9
189.01729	0.8
191.03247	3.7
193.04912	2.5
195.02861	2.7
197.04446	0.6
203.03340	12.2
207.02858	2.3
209.04410	0.7
221.04337	4.2
229.04900	0.9
231.02837	2.0
245.04385	2.9
247.02213	0.7
249.03836	1.2
255.06276	1.7
271.05942	2.6
272.06659	0.6
279.06412	0.8
283.05902	8.0
286.04614	3.8
287.05414	8.6
289.03238	2.2
295.05832	6.1
297.07449	19.1
299.05396	100.0
300.06165	10.4
301.06750	0.9
307.05927	0.9
309.07428	7.1
311.05405	18.1
313.03406	2.2
313.06894	21.3
321.07318	3.3
323.05353	6.6
324.06113	0.6
325.06940	44.3
327.08542	5.0
329.06439	49.5
336.06299	0.6
337.06940	55.0
339.04684	0.6
341.06467	8.6
353.06427	58.8
355.08078	4.4
365.06424	34.5
383.07462	75.1
401.08514	8.9
419.09641	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0962
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
53.46642	1.1
54.39933	1.1
54.77531	1.1
55.01857	7.5
63.70004	1.2
68.99784	2.9
121.02835	3.1
135.04385	6.3
137.02313	17.7
141.01805	2.2
149.02348	2.1
156.36168	1.5
161.02296	8.2
163.03812	5.2
165.01776	27.1
167.03358	2.2
179.03326	2.7
183.02811	8.6
187.03960	1.7
203.03323	9.6
207.02917	1.7
231.02850	2.9
245.04315	2.0
283.05869	5.2
286.04800	1.5
287.05380	6.6
295.05899	5.7
297.07416	16.1
299.05396	100.0
300.06085	11.6
309.07550	5.2
311.05499	15.7
313.06952	18.1
323.05356	1.9
325.03439	2.5
325.06912	41.8
327.08548	7.7
329.06430	48.6
337.06955	47.2
341.06412	8.4
353.06430	53.9
355.07986	2.2
357.03845	1.3
365.06439	35.4
383.07489	64.4
401.08560	9.8
419.09692	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	419.0963
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
53.03941	2.0
54.91977	1.8
55.01866	1.7
55.39615	1.6
56.64043	1.7
57.07074	2.1
64.31844	2.0
65.03915	1.6
67.05479	3.7
69.03403	2.4
69.07038	2.3
71.04971	9.2
79.01804	2.6
79.05463	7.5
81.07005	14.0
82.07372	2.0
85.02880	4.1
85.06536	3.7
91.05457	8.6
93.07014	9.0
95.08585	3.5
100.08419	3.7
105.06991	15.6
106.07341	8.1
107.04916	3.5
107.08576	4.1
109.10120	3.9
117.06967	2.5
119.08548	4.1
119.31905	2.0
120.08884	3.5
125.09565	4.2
126.09952	2.1
132.08896	2.0
133.10095	19.0
134.10423	11.7
135.04393	3.8
135.11726	2.5
137.02293	32.0
143.10698	2.9
145.06447	3.6
150.13576	2.3
156.05687	2.0
161.02309	4.9
165.01793	4.6
167.06978	9.4
168.14584	2.8
183.02805	3.2
205.04973	8.1
220.17709	3.8
229.04893	12.5
231.02858	3.2
243.06400	2.1
249.03864	3.2
253.45866	2.0
269.08087	2.6
271.05887	12.3
272.06702	15.6
287.05460	3.1
295.05869	2.6
299.05414	97.4
300.06189	69.0
301.06964	2.4
311.05444	26.8
313.06958	61.2
315.08572	4.6
325.06934	18.2
327.04883	3.4
327.08499	9.7
329.06433	100.0
337.06924	21.4
341.06421	15.4
353.06400	42.8
355.07983	8.9
359.07617	12.0
365.06461	13.3
371.07419	2.0
383.02417	2.8
383.07452	79.2
401.08502	40.4
419.09573	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53860	0.7
55.05500	10.4
56.07574	1.1
57.03419	1.0
67.05485	15.5
67.20421	0.8
69.03386	1.6
69.07040	10.6
71.04966	1.6
76.54927	0.8
79.05457	8.9
81.03409	1.0
81.07022	45.8
83.08586	10.8
85.02890	8.0
91.05431	11.8
93.07005	22.9
95.04936	1.0
95.08569	59.4
97.02898	1.0
97.10123	1.9
105.06997	48.7
107.08556	39.1
109.10123	43.5
111.11655	1.0
117.06973	1.2
119.08536	58.9
120.58208	0.8
121.09286	1.5
121.10098	24.9
123.11658	11.6
127.03870	0.9
127.43375	0.9
131.08548	1.3
133.10088	50.1
135.11641	12.6
145.04913	1.3
145.10080	3.9
145.78340	1.0
147.11647	53.4
149.13199	7.5
159.11649	2.0
160.12500	0.9
161.13188	18.0
163.05940	1.4
175.14754	9.2
186.23674	0.9
198.09671	1.4
203.17888	100.0
221.19090	6.8
277.52859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0963
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
54.59636	0.1
55.01828	0.2
55.05487	0.1
68.99770	0.3
70.06540	0.2
70.37109	0.1
73.02855	0.1
82.05956	0.2
85.02860	0.6
87.69602	0.2
89.75997	0.2
91.05465	0.2
92.08727	0.3
105.06961	0.3
109.02820	0.2
115.05422	0.2
117.06976	0.3
121.02802	1.4
127.03922	0.2
128.06075	0.2
129.06969	0.2
133.91803	0.2
137.02299	2.7
137.05988	0.3
139.05350	0.2
143.04822	0.3
143.94272	0.2
145.06532	0.2
147.04352	0.3
149.02313	0.6
151.07524	0.2
157.06450	0.6
161.05945	0.3
162.06799	0.2
163.03839	0.2
165.01758	0.3
171.04381	0.2
173.13054	0.1
175.03813	0.2
175.07536	0.3
177.09015	6.4
179.03342	0.2
185.05870	0.9
189.05412	0.6
213.05371	2.5
216.04285	0.2
221.11649	0.8
231.02979	0.2
231.06451	0.9
241.04817	1.4
242.05762	0.2
254.57985	0.2
259.05927	0.2
269.04355	0.4
287.05392	100.0
288.05692	1.4
299.05347	0.9
300.06192	0.2
313.06964	0.3
329.06403	0.9
338.35944	0.2
353.06421	0.4
365.06497	0.2
383.07303	0.8
411.46249	0.2
419.09546	2.0
419.14560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.5
53.03954	2.0
54.80776	1.5
55.01855	1.9
55.05495	9.0
57.03432	2.4
57.42533	1.5
57.63829	1.3
61.58855	1.5
65.03937	1.7
67.05482	16.7
69.03403	4.0
69.07042	14.1
69.07371	1.6
71.04950	3.1
73.02852	1.5
73.82259	1.5
79.05459	18.6
81.03374	2.6
81.07032	56.4
83.08566	2.3
85.02883	21.3
91.05440	18.2
93.07014	45.0
95.04935	3.7
95.08572	62.0
97.02848	8.0
103.05405	2.1
105.01766	1.6
105.04464	1.9
105.07005	58.2
105.86279	1.6
107.08567	56.4
109.10129	44.6
117.06982	2.9
119.08554	37.9
121.10110	19.0
123.04401	2.2
123.11669	13.5
127.03866	2.5
131.04904	1.8
131.08514	2.1
133.10092	29.7
135.11652	10.3
145.06450	2.7
145.10095	3.6
147.11659	45.2
149.13243	6.9
159.11679	2.4
161.13191	14.0
163.14818	3.1
167.06973	23.8
168.07312	13.9
173.05865	2.1
175.14821	8.8
181.04897	10.1
182.05305	3.8
191.07048	2.2
192.07179	2.1
203.17886	100.0
221.18915	6.4
225.78595	1.5
262.89056	1.8
299.05368	2.3
418.15491	3.5
428.38834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03376	0.1
70.06557	0.2
73.06512	0.6
75.47780	0.1
79.05463	0.5
85.02880	0.2
91.05463	0.5
92.09331	0.2
93.07001	1.2
103.05431	4.7
107.04914	1.7
111.04431	0.1
120.08064	100.0
121.08411	0.7
131.04880	2.9
147.04434	0.2
149.05920	1.1
153.25520	0.1
166.08580	23.5
167.02133	0.1
167.03252	1.0
170.04906	0.2
179.03287	0.3
188.05829	0.2
214.03876	0.3
216.52211	0.2
232.04753	1.0
252.36169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62439	0.9
56.96545	1.7
61.02906	0.9
66.58680	0.9
68.56619	0.9
69.03399	5.4
72.72926	0.9
75.42002	0.8
81.03376	1.6
85.02868	17.5
87.04443	2.1
89.05996	100.0
97.02840	5.2
107.07021	4.9
109.02834	1.3
133.08551	32.7
141.97861	0.9
145.04979	1.0
151.09579	1.9
163.03871	1.6
175.36478	1.2
177.11209	3.7
195.12305	1.0
221.06020	1.0
239.14803	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	418.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96783	0.8
55.01850	1.8
55.05491	18.5
56.05816	1.1
57.03413	2.6
57.07050	1.7
59.04975	2.2
61.02911	1.3
62.78671	0.9
65.03918	1.8
67.05476	21.7
68.05785	1.2
69.03398	7.4
69.07032	14.1
70.03707	1.0
71.04966	25.9
72.05297	2.3
78.04665	1.1
78.10586	1.0
79.05460	19.0
80.05771	1.2
81.03369	1.5
81.07023	61.0
82.07352	6.5
83.04942	4.0
83.08586	12.7
85.02383	1.3
85.02872	28.3
85.06492	4.5
86.03198	1.1
91.05434	23.7
92.05759	5.6
93.06425	1.9
93.07002	51.1
94.07327	13.3
95.04915	6.1
95.08567	60.1
96.08885	4.1
97.02837	2.2
97.06461	2.6
97.10123	1.3
99.04388	1.2
99.08040	2.5
103.05422	7.2
104.05756	4.0
105.06993	68.1
106.07315	10.4
107.04937	2.3
107.08559	42.4
108.02068	1.3
108.08891	4.3
109.06471	6.4
109.10116	39.9
110.10449	4.3
115.05367	1.5
117.06989	7.3
118.04087	1.5
119.08540	60.7
119.31745	1.3
120.08870	5.6
121.10080	27.2
122.10427	2.6
123.04382	2.0
123.08009	6.9
123.11679	20.6
124.05203	1.1
124.11989	4.2
125.09579	7.2
127.03862	2.1
127.11150	5.7
128.11528	1.4
129.05434	1.8
131.04849	5.6
131.08504	10.5
132.05190	1.5
132.08824	1.8
133.06483	1.7
133.10077	79.7
133.81453	1.1
134.10408	10.9
135.11641	17.9
137.09575	6.0
138.03044	1.0
138.10114	1.1
143.08476	1.2
143.10620	6.8
143.23808	1.0
145.04971	0.9
145.06450	5.0
145.10052	12.1
146.06799	1.8
146.10403	5.2
147.11641	53.7
148.05145	1.8
148.11977	2.4
149.05482	2.3
149.13203	6.0
151.11121	5.7
152.11447	2.5
152.13356	1.1
155.10616	1.7
159.11664	7.6
160.11998	4.7
161.13170	18.4
163.07471	6.7
163.11078	1.5
164.07771	4.3
167.06964	37.7
167.14302	2.3
168.07292	24.5
171.06451	1.2
173.05911	6.3
173.13144	2.3
174.06270	5.0
174.13522	1.8
175.14720	8.1
181.04892	18.5
182.05220	12.1
191.06935	8.1
192.07274	7.3
201.16327	5.3
202.16655	4.3
203.17882	100.0
205.08577	1.5
208.23650	1.3
219.17339	18.1
220.17705	12.7
221.18893	11.2
234.08420	1.6
237.18407	2.1
238.18805	1.8
241.88200	1.2
269.08163	1.2
388.14246	4.6
418.15652	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	417.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.6
58.64640	7.5
67.05473	16.3
69.07041	13.7
79.05476	32.4
81.07021	62.4
84.28625	7.9
85.06522	32.0
91.05434	32.6
93.07010	69.4
95.08581	75.0
97.06457	10.2
105.06994	72.1
107.08554	99.3
109.10130	39.0
117.06966	19.2
119.08539	84.8
119.68101	8.0
121.10088	52.1
123.11666	12.0
131.08505	32.4
133.10092	68.3
135.11629	96.8
145.10074	49.4
147.11612	57.2
149.13222	11.2
154.86426	7.7
159.11601	19.7
161.13173	17.8
163.14751	11.1
165.71945	8.6
171.11650	13.7
173.13205	33.3
175.14798	12.3
185.13078	9.1
187.14868	8.7
189.16335	74.5
201.16333	34.8
207.17354	100.0
215.17909	11.5
217.53436	8.3
227.17894	13.2
231.83835	7.6
273.53815	9.7
280.94412	8.6
344.16599	9.3
363.30466	13.3
381.31387	55.1
399.32584	11.9
400.19998	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	417.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	17.6
57.03402	1.9
57.07039	2.7
59.04965	1.9
63.90990	1.7
65.03922	1.6
67.05476	13.6
67.95512	1.5
69.03393	3.8
69.07036	14.4
71.04965	40.9
73.06516	8.2
79.05457	19.7
81.07029	46.5
83.04945	2.5
83.08588	7.6
85.02872	7.1
85.06488	2.7
91.05447	26.9
93.07008	37.9
95.08567	43.1
97.06470	3.5
99.08042	11.8
105.06998	69.6
107.08556	43.3
109.10122	16.3
111.05497	1.8
117.06962	3.9
119.08533	18.0
121.10094	18.8
123.11655	7.6
125.09592	20.9
127.07465	3.3
127.11141	6.9
129.06900	2.0
131.08499	10.9
133.09073	3.3
133.10088	100.0
135.11598	1.9
137.09689	1.7
143.10609	19.2
145.10054	14.3
147.11676	17.5
149.13220	17.5
151.11086	3.1
157.87378	1.7
159.11633	14.6
161.13196	2.5
167.06984	12.8
167.14256	37.0
181.04959	2.8
201.16269	7.5
219.17348	36.8
237.18388	7.1
249.01485	1.7
290.05490	1.6
362.34283	1.7
394.36349	2.0
402.53391	1.9
417.15170	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	417.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.00889	1.2
55.01817	1.4
55.05485	9.6
56.39349	1.2
57.03410	1.7
58.43370	1.3
61.02892	1.7
63.97010	1.5
65.03911	6.3
67.05480	18.6
69.03391	8.9
69.07021	6.9
71.04961	20.3
75.23473	1.5
79.05457	17.3
81.03365	2.2
81.07026	48.4
83.08562	2.1
85.02869	17.1
85.06485	2.7
91.05448	20.1
93.07004	51.0
95.04926	9.8
95.08569	31.4
97.06498	8.0
98.03560	1.7
99.08083	2.4
103.05434	14.1
105.06991	50.8
107.04919	9.6
107.08551	25.6
109.06485	8.7
109.10128	23.9
110.03589	1.8
111.04408	1.5
111.08067	2.4
115.05418	6.3
117.06966	8.9
118.04111	3.2
119.08521	34.4
121.06443	2.2
121.10091	16.1
123.04359	4.0
123.08012	9.2
123.11662	15.0
124.05183	2.7
125.09580	3.3
127.11130	3.0
131.04860	12.4
131.08548	15.8
133.06424	2.1
133.10085	58.0
134.03624	1.9
135.08005	2.1
135.11649	8.2
137.05937	1.6
137.09564	14.9
139.11212	1.7
145.06430	12.1
145.10077	17.6
146.99612	1.5
147.11646	10.4
148.05124	9.0
151.11139	9.1
155.10632	3.5
159.11629	14.1
161.13208	2.6
163.07483	10.2
163.11095	2.8
163.82152	1.7
167.06978	100.0
171.06505	2.4
173.05905	15.2
173.13200	3.6
175.14784	2.0
181.04883	46.9
191.06943	20.8
201.16319	17.4
205.08586	2.3
219.17322	27.8
233.08002	3.2
235.09535	1.9
237.18413	10.3
283.05969	2.1
387.14154	6.6
417.15515	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	417.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.8
53.03924	1.3
55.05492	12.6
56.70364	0.9
57.07063	1.2
59.04962	1.6
59.98292	1.0
60.13482	1.0
65.03548	1.1
65.03915	1.3
67.05476	12.9
69.03399	5.7
69.07043	12.1
71.04964	40.2
73.06533	2.5
79.05460	22.0
81.07024	49.4
81.53876	1.1
83.04947	1.6
83.08604	7.5
85.02889	7.3
85.06519	5.0
86.49458	1.2
91.05446	25.2
93.06999	29.6
95.04928	5.5
95.08559	29.0
97.06493	6.2
97.10157	1.6
99.08038	13.2
103.05456	5.3
105.06992	78.2
107.04912	2.9
107.08558	33.1
109.06496	5.7
109.10102	17.2
110.21982	1.3
111.08081	1.2
117.06993	6.2
119.04908	1.4
119.08543	18.7
121.10111	14.0
123.04404	2.5
123.08016	1.7
123.11711	5.0
124.05244	1.4
125.09574	19.2
127.07534	3.0
127.11157	6.1
131.04907	4.9
131.08545	13.0
133.10080	100.0
135.11646	2.1
143.10641	23.5
145.06384	1.5
145.10066	12.4
147.11646	13.9
148.05217	1.7
149.13220	13.7
151.11201	6.1
159.11632	11.6
161.13295	5.4
163.07478	5.3
167.06972	29.9
167.08311	2.1
167.14207	19.0
167.15428	1.4
173.05888	3.0
173.13148	1.4
181.04874	11.9
191.06984	7.2
201.16287	10.6
219.17357	33.5
237.18417	7.6
308.74362	1.4
343.64069	1.3
387.14450	1.7
417.15558	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	417.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	4.5
55.01869	2.4
55.05489	13.6
58.23888	1.8
65.03906	2.5
67.05468	15.0
69.03403	25.4
69.07052	13.7
69.19266	2.2
71.04967	37.2
79.05460	25.7
81.03384	3.2
81.07029	44.3
83.04959	4.4
83.08627	2.5
85.02876	10.1
85.06536	3.2
91.05444	26.6
93.07012	34.9
95.04929	4.6
95.08578	31.3
97.06499	9.1
99.08076	13.1
103.05410	3.9
103.33861	2.2
105.03371	3.2
105.06997	80.2
107.04903	3.2
107.08562	37.6
109.06467	5.0
109.10134	22.0
112.92020	2.6
117.06962	10.4
119.08546	29.1
121.02805	17.0
121.10102	20.6
123.04350	3.4
123.11710	9.3
124.05174	3.5
125.09592	22.3
127.11156	5.1
129.03354	3.2
130.07726	2.8
131.04884	2.5
131.08499	17.0
133.10085	100.0
135.11656	3.9
143.10637	22.9
145.02751	3.2
145.06450	5.7
145.10126	20.1
147.11652	20.3
149.13208	13.5
151.11118	5.1
153.01836	2.3
157.10088	2.5
159.11674	13.4
161.13217	3.7
163.03893	13.1
163.07597	2.5
165.01808	17.1
167.03375	4.2
167.06979	43.8
167.14294	16.9
169.12276	3.2
169.25511	2.4
173.05997	5.2
181.04898	20.1
183.02821	5.6
191.06949	3.7
195.02942	3.6
201.16312	10.7
219.17381	35.4
237.18279	4.3
240.07616	2.6
251.06918	9.6
265.08475	4.2
267.06396	72.7
268.07031	11.6
270.05121	5.5
271.05914	3.0
279.06509	13.2
281.07889	16.5
283.03146	4.2
283.05951	52.9
284.06546	4.6
292.07260	2.9
293.04916	3.0
293.07843	17.0
295.05978	14.9
297.07425	36.2
298.72653	3.0
307.09546	11.8
309.07422	29.8
311.09000	2.9
313.06985	53.7
321.07556	22.0
333.07413	5.0
335.09009	20.3
337.06924	31.8
338.07236	3.7
345.07437	5.3
351.08475	9.5
363.08542	39.5
381.09558	50.3
399.10464	9.7
417.11133	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	417.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.4
53.03935	0.3
55.01858	0.4
55.05491	2.4
57.03408	0.7
57.07066	0.5
61.60667	0.3
66.40326	0.3
67.05489	4.5
69.03422	2.9
69.07039	2.2
70.06548	0.4
71.04970	6.6
73.02897	0.5
73.06493	0.4
79.05470	4.9
81.06269	0.5
81.07025	11.6
83.04943	0.7
83.08579	0.8
85.02876	3.8
85.06499	0.5
86.09673	0.9
89.05997	0.6
89.96944	0.4
91.05450	7.2
92.08646	0.7
93.07014	12.2
95.04940	1.6
95.08575	5.2
97.06509	1.7
99.08042	1.6
105.06989	14.8
105.07674	0.5
107.04942	0.5
107.08553	7.6
109.06487	2.5
109.10120	5.1
111.08057	0.7
112.66528	0.4
115.05367	0.5
117.06998	2.6
119.08539	7.4
121.02800	2.0
121.06459	0.8
121.10089	4.8
123.04384	0.5
123.08013	1.7
123.11697	3.3
125.09618	2.7
127.03845	0.5
127.11161	2.0
131.08517	3.7
133.10091	17.6
135.11607	0.9
137.09561	1.8
143.10591	0.9
145.06458	0.4
145.10063	4.9
147.11621	3.4
149.02332	3.6
149.09578	1.6
151.11136	3.8
153.05449	0.5
155.10654	2.1
159.11664	2.9
161.13203	1.6
163.11012	0.5
167.06946	5.1
171.11737	0.4
173.06032	0.7
173.13182	1.6
181.04753	0.4
191.17900	0.5
191.36795	0.5
201.16286	2.7
219.17360	6.7
220.28886	0.5
237.18391	3.8
241.37381	0.5
285.13013	0.7
292.19702	0.6
380.68280	0.5
384.05695	0.5
417.17160	100.0
418.17133	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	417.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31752	0.4
51.27619	0.4
53.82438	0.5
55.05486	2.7
59.04987	0.5
61.02900	0.6
62.18623	0.4
64.47436	0.5
67.05473	3.0
68.15542	0.5
69.03406	2.3
69.07024	2.6
71.04965	4.8
76.02733	0.4
79.05466	2.7
81.03378	0.7
81.07015	7.6
83.04968	0.5
83.08572	0.6
85.02877	3.1
86.09682	3.2
91.05439	5.4
92.62630	0.5
93.07014	6.8
95.04914	0.7
95.08580	5.9
97.02897	0.5
97.06499	0.8
97.10246	0.5
99.08038	0.8
105.06992	12.4
107.04909	0.5
107.08574	5.1
109.06488	1.2
109.10133	3.6
111.08047	0.8
111.11795	0.5
112.95988	0.5
117.06988	1.2
119.08533	4.7
121.06508	0.5
121.10101	4.5
123.08054	1.8
123.11683	1.1
125.09587	1.1
127.11150	1.1
131.08524	4.8
133.10085	13.9
135.11693	0.6
137.09586	2.3
139.11131	0.6
143.10698	0.6
145.10114	3.5
147.11676	2.5
149.02319	0.9
149.09604	0.8
151.11157	2.9
155.10591	0.6
159.11659	2.3
161.13239	0.5
167.07010	5.0
181.04922	0.8
201.16319	2.3
219.17358	4.4
237.18437	2.5
285.13171	1.2
417.17160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
54.28279	0.2
55.01837	0.5
55.05474	1.2
57.03380	0.4
57.07032	0.3
58.51046	0.2
59.39574	0.2
60.16217	0.2
64.05386	0.2
64.32646	0.2
65.03893	1.3
67.05473	2.8
69.03388	1.3
69.07023	1.2
71.04964	2.6
78.04676	2.8
79.05458	3.6
80.22407	0.2
81.03341	0.3
81.07024	7.0
82.04171	0.4
83.04942	0.3
85.02876	2.7
85.06497	0.9
86.48984	0.2
91.05450	3.7
93.03364	0.3
93.06443	0.3
93.07006	6.1
95.04901	1.6
95.08559	3.2
96.05726	0.4
97.02831	0.5
97.06457	1.6
99.04325	0.3
103.05405	1.3
105.06992	7.1
106.04119	1.6
107.04892	1.7
107.08565	3.7
108.02029	0.3
109.02847	0.3
109.06455	0.6
109.10117	2.4
110.03600	1.0
111.08034	0.5
115.05418	3.5
117.06982	8.0
119.08539	4.4
121.02845	0.3
121.10102	2.0
122.03648	0.3
123.04385	8.8
123.07994	1.0
123.11674	1.8
124.05170	3.7
125.05951	0.5
125.09565	1.0
127.05340	0.5
127.11123	0.5
130.04065	0.4
130.07750	0.3
131.04868	1.0
131.08508	1.6
133.06438	0.4
133.10081	6.0
134.03632	0.5
135.04381	0.3
135.11621	1.6
137.05891	0.4
137.09576	1.5
138.03009	0.5
138.92667	0.3
142.02586	0.5
143.05009	0.4
143.10611	0.4
144.05656	0.4
145.06441	11.3
145.10075	3.1
147.07970	0.4
147.11610	1.6
149.09525	0.4
149.13243	0.5
151.03848	1.3
151.11090	1.4
152.04663	2.4
153.05446	0.4
155.05986	4.6
155.10596	0.3
159.11627	1.6
161.13184	1.1
167.06972	100.0
171.06459	1.6
173.05913	14.7
173.13214	1.2
175.07382	0.3
181.04887	18.2
185.00632	0.2
187.03996	0.3
191.05458	0.3
191.07037	1.2
191.17938	0.3
201.05490	0.3
201.16193	1.8
205.08504	2.7
216.24356	0.2
219.17360	3.5
226.83827	0.2
233.08032	3.5
235.09598	1.6
237.18431	1.0
283.06003	0.4
284.06741	0.4
313.06851	0.4
363.08859	0.4
381.09372	0.4
387.14246	7.1
399.10306	0.3
417.15332	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	417.1534
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03919	0.7
55.01825	0.5
55.05480	0.5
56.71463	0.4
57.03401	0.7
59.04991	0.4
65.03919	4.0
67.05463	3.3
69.03388	2.1
69.07034	1.9
71.04941	2.2
78.04667	2.6
79.05462	5.9
81.03366	0.7
81.07018	5.3
82.04145	2.0
83.04923	0.6
83.08600	0.8
85.02884	4.5
89.71786	0.4
91.05455	3.5
93.07004	8.8
95.04908	2.7
95.08570	3.6
97.02845	0.5
97.06480	2.7
100.11236	0.5
101.05965	0.6
103.04848	0.6
103.05432	8.6
105.03349	0.7
105.04504	0.5
105.07002	5.5
106.04141	2.3
107.04922	6.1
107.08537	2.8
109.02866	0.6
109.06466	2.9
109.10115	2.8
110.03615	1.9
111.04376	0.7
115.05393	5.1
117.06967	8.1
118.04109	2.3
119.08496	3.5
121.06459	0.7
121.10072	2.4
123.04383	10.1
123.11622	2.3
124.05161	3.3
125.05941	2.9
127.05403	0.9
130.04115	0.7
131.04900	5.0
131.08484	2.0
131.39267	0.5
133.02818	0.8
133.06407	1.8
133.10098	5.8
134.03580	0.6
135.04376	0.5
135.07993	0.7
135.11617	1.0
137.02281	0.5
137.05940	1.0
138.03087	0.5
142.02571	0.5
145.06444	12.8
145.10088	3.0
147.04411	0.6
147.07957	0.9
147.11653	0.7
148.05154	4.3
149.05891	0.9
149.13187	0.7
151.03850	1.0
151.07474	0.5
151.11139	1.6
152.04622	3.6
153.05466	0.6
155.05949	4.1
159.11655	2.1
160.11891	0.5
161.05930	2.3
163.07474	6.2
167.06973	100.0
169.04530	0.5
171.06485	4.3
173.05910	15.1
173.13167	0.5
176.04576	1.0
181.04883	43.2
187.07465	0.7
191.06973	13.5
193.12202	0.7
201.05362	0.7
201.16299	0.9
205.08551	2.8
209.07706	0.4
217.08510	0.8
219.06320	0.5
219.17310	4.1
233.07999	3.8
235.09598	1.7
237.18420	1.8
276.89139	0.6
387.14261	7.1
417.15314	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	417.1536
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03926	0.6
55.01849	1.0
55.05489	0.6
57.01552	0.3
65.03918	4.2
66.04678	0.5
66.29299	0.3
67.05461	0.8
69.03386	0.7
71.51651	0.4
73.65678	0.5
78.04683	3.9
79.05471	4.0
81.03390	0.5
81.07020	0.8
82.04160	0.7
85.02893	2.8
85.61460	0.5
91.05450	3.2
93.03383	0.9
93.07001	0.9
95.04949	2.4
95.08634	0.4
97.06474	1.7
103.05429	11.0
105.03366	0.7
105.06991	3.7
106.04130	1.6
107.04918	7.7
108.02094	0.6
109.06487	0.9
109.10091	0.7
110.03649	2.4
111.04394	0.9
115.05405	5.2
117.06973	7.6
118.04105	3.2
119.04890	0.8
119.08564	1.7
121.06531	0.6
122.03611	0.5
123.04363	7.8
124.05173	4.1
125.05943	1.8
127.05443	0.7
130.04114	1.5
131.04887	8.3
133.02838	0.6
133.06456	3.0
135.08015	0.5
135.11595	0.5
137.05943	0.6
138.03111	1.0
142.02602	0.8
145.06453	11.1
145.10089	0.5
146.03586	0.7
146.10410	0.4
148.05154	6.0
149.05963	0.4
151.03859	2.0
152.04636	3.3
153.05408	2.5
155.04823	0.7
155.05913	3.4
161.05884	1.5
163.07492	10.5
165.05412	0.5
167.06976	100.0
171.06450	4.2
173.05923	16.8
175.07523	0.8
175.82574	0.4
176.04646	0.8
179.06937	0.6
181.04890	47.2
191.06950	18.8
195.06461	0.6
201.05417	0.7
205.08528	3.1
217.08513	0.8
219.10114	0.5
233.08023	3.6
235.09637	1.8
263.09210	1.0
267.09982	0.8
329.09900	0.6
387.14261	6.5
387.84213	0.4
417.15295	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	417.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73423	0.7
53.03934	1.0
53.85027	0.9
55.01834	1.2
55.05484	7.7
57.03403	1.7
57.07064	2.3
59.04972	2.2
61.02878	1.4
64.52480	1.0
65.03912	4.5
67.05479	14.5
69.03399	8.5
69.07047	6.7
71.04963	17.8
71.08575	0.9
71.16359	1.1
78.04668	1.5
79.05460	15.6
81.03384	2.0
81.07025	39.1
82.04162	1.8
83.04940	2.3
83.08596	4.5
85.02879	12.6
85.06505	5.1
91.05452	19.2
93.07004	39.3
95.04935	7.0
95.08574	24.2
97.02856	1.6
97.06494	7.2
99.08064	2.2
100.11243	1.2
103.05440	8.8
105.06993	43.5
106.04143	1.8
107.04927	11.0
107.08559	23.1
109.06480	5.8
109.10121	17.8
110.03589	1.4
110.10452	1.2
111.04404	2.1
111.08064	2.0
113.05952	1.2
115.05410	6.0
117.06991	11.3
118.04101	1.3
119.08537	21.9
121.06448	1.5
121.10070	12.0
123.04378	7.4
123.08031	5.4
123.11658	12.3
124.05146	4.5
125.05964	1.8
125.09622	4.7
127.11162	4.1
129.07051	1.3
131.04890	6.5
131.08508	8.4
133.06468	2.0
133.10085	51.1
135.04424	2.2
135.07979	2.3
135.11633	2.6
137.05916	1.3
137.09570	12.9
139.11118	1.6
144.05692	1.3
145.06462	12.5
145.10097	17.6
146.10416	1.9
147.11664	10.1
148.05147	5.5
149.09651	1.2
149.13194	1.3
151.03897	1.5
151.11119	7.2
152.04614	1.4
155.05965	2.1
155.10623	5.2
157.06432	1.2
157.10092	2.0
159.11601	11.9
161.13208	5.5
163.07463	7.7
163.11118	5.0
165.12759	1.1
167.06973	100.0
171.06461	3.8
173.05925	16.3
173.13229	2.3
177.12701	1.1
181.04886	43.2
191.06998	15.8
191.14207	1.4
201.16296	16.0
202.16742	1.8
205.08548	1.6
219.17334	26.8
221.21898	1.0
233.08047	4.9
235.09544	1.4
235.17043	1.4
237.18323	7.9
297.07449	5.4
301.90903	1.2
309.07452	1.9
313.07224	1.2
335.09106	1.7
351.08722	1.6
360.75922	1.1
363.08487	2.2
381.09335	1.9
387.14371	7.9
393.56549	1.3
417.15314	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	417.1171
Annotation	Daidzin
Peak:m/z	Relative Intensity
51.81119	0.1
55.05480	0.2
66.98630	0.1
67.01824	0.8
67.05468	0.5
68.99755	0.2
69.03400	0.3
69.07017	0.3
69.28235	0.1
71.04961	0.3
76.55220	0.1
79.05448	0.8
81.07030	1.7
83.08569	0.2
84.46772	0.1
85.02854	0.8
85.06510	0.1
91.05436	0.6
93.07014	1.2
95.04918	0.2
95.08575	1.0
97.02849	0.3
97.06494	0.3
103.05431	1.4
105.03349	0.6
105.06979	1.2
105.27848	0.1
107.04918	0.2
107.08579	1.1
109.02865	0.2
109.06454	0.2
109.10107	0.7
110.87337	0.1
117.06967	0.5
119.08508	0.6
121.06474	0.1
121.10107	0.8
123.11680	0.3
125.09585	0.2
127.11134	0.3
129.03307	0.8
131.08504	0.5
133.10092	1.1
135.11604	0.2
136.13577	0.1
145.06427	0.6
145.10051	0.9
147.04346	0.6
147.11652	0.2
149.09612	0.2
151.11154	0.2
153.01781	4.0
155.06029	0.2
159.11624	0.7
161.13202	0.2
166.15392	0.1
167.06985	3.2
171.02832	0.7
173.05884	0.3
181.05005	0.9
187.07468	0.3
191.06926	0.1
191.14278	0.2
201.16295	0.3
209.05925	0.3
213.05342	0.2
219.17371	0.7
231.06404	0.2
237.18361	0.5
255.06422	100.0
256.06732	0.3
300.60123	0.2
387.15262	0.2
417.15430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1169
Annotation	Molludistin
Peak:m/z	Relative Intensity
51.62859	0.6
55.01848	1.2
55.05481	1.4
57.03402	1.4
58.18532	0.7
64.32523	0.7
65.03899	1.6
67.05485	4.0
68.99760	3.6
69.03400	35.5
69.07033	1.9
70.33324	0.8
71.04961	1.6
73.61853	0.7
79.05428	4.2
79.33977	0.8
81.03374	2.0
81.07017	7.3
83.04951	1.3
85.02850	4.0
91.05444	5.9
92.99707	1.0
93.07000	5.9
95.04902	1.5
95.08571	1.6
95.29967	0.9
103.05433	0.8
105.03336	1.4
105.06988	8.1
107.04898	7.0
107.08574	6.0
109.10076	3.3
111.04404	3.6
114.89153	0.8
115.05428	1.1
117.06950	3.7
117.23811	0.8
119.04868	6.7
119.08536	4.4
121.02810	23.3
121.06444	1.9
121.10088	3.3
124.07753	0.9
127.03970	0.9
127.11185	1.0
129.90126	0.8
131.04869	1.7
131.08527	1.7
133.10066	5.1
135.04353	4.2
135.77826	1.0
141.01767	3.4
145.02789	9.2
145.06444	1.9
145.10040	3.3
147.11598	1.6
149.02290	1.9
159.04283	1.1
159.11627	3.5
163.03807	12.0
165.01762	20.0
167.03304	8.9
167.06963	13.3
171.04323	1.0
173.05956	3.0
173.13162	0.9
177.01759	1.6
179.03355	1.3
181.04932	7.4
183.02878	10.9
183.04311	1.7
187.03871	1.2
190.99670	0.9
191.03357	4.2
195.02817	4.2
199.03896	1.8
201.05411	1.9
201.16292	2.0
203.03328	1.1
217.04945	2.0
219.17343	1.6
227.03329	1.8
229.04898	2.0
237.18454	1.3
239.06812	1.1
242.05705	1.6
243.06520	1.4
245.04366	2.0
255.06244	2.9
256.07147	2.0
263.05270	0.8
267.06381	16.8
270.05081	8.4
271.05884	8.9
273.03778	1.6
281.04892	1.1
281.07968	11.2
283.05884	100.0
284.06638	22.7
289.08536	1.2
292.07278	1.3
293.07877	1.6
294.05026	3.2
295.05893	19.5
297.04102	1.8
297.07419	6.3
307.09384	3.0
308.06772	1.3
309.04047	2.4
309.07428	38.8
311.08963	5.4
312.21548	0.9
313.06931	97.3
317.07697	1.3
319.09418	3.6
321.07474	14.5
323.05276	1.6
325.10556	1.4
335.05063	1.7
335.08975	30.3
337.06909	39.2
339.08536	1.7
345.07382	7.9
363.08481	67.8
381.09543	80.6
399.10504	13.5
417.11282	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	416.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
57.07053	0.3
65.38354	0.3
69.07032	0.5
81.07021	0.7
83.04907	0.4
91.05447	8.7
92.41435	0.3
93.06960	0.6
95.08543	0.5
99.84887	0.4
105.06976	0.7
107.08540	0.6
119.08572	2.7
121.10088	3.2
123.08009	0.4
133.10045	3.2
135.11665	0.4
143.08583	0.4
147.11568	0.4
157.10071	0.4
160.12305	0.3
161.09586	0.6
161.13193	3.0
161.39084	0.3
170.10878	0.5
175.14757	0.5
181.10168	0.4
185.13159	0.4
187.11157	0.5
188.11856	0.5
198.12717	6.9
203.14247	28.0
219.17365	100.0
220.17696	0.5
267.94797	0.4
347.97711	0.4
416.29007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.1
54.48011	2.0
54.81028	2.9
55.05496	17.9
56.06445	2.1
57.07059	2.8
63.95402	1.9
67.05484	27.5
67.09106	2.0
69.03397	10.0
69.07037	14.8
71.04964	2.9
71.08612	2.4
79.05457	35.9
81.03387	4.7
81.07025	64.4
83.04956	20.8
83.08597	4.4
85.02869	32.9
91.05450	27.7
93.07013	62.3
95.04960	2.9
95.08576	64.6
97.02852	3.6
97.06493	10.9
103.05445	4.3
103.57259	2.8
105.06996	67.3
107.04942	2.7
107.08564	75.0
109.06476	4.4
109.10126	35.0
111.08049	10.4
115.05376	2.5
117.06987	25.0
119.08541	61.0
121.06373	3.3
121.10086	49.1
123.04422	2.9
123.08013	13.7
123.11660	13.0
125.09597	5.4
127.03842	4.4
129.06943	5.1
130.07715	3.8
131.08522	40.2
133.10085	37.6
135.08031	5.5
135.11652	31.3
144.09258	4.4
145.04955	2.5
145.06390	5.0
145.10083	92.4
147.11644	12.4
149.09561	26.3
149.13170	4.4
151.11208	2.6
159.11644	52.2
161.13194	27.0
163.11096	25.1
167.06981	49.5
173.05948	4.7
173.13190	22.0
175.14764	21.8
177.12692	4.0
177.16330	28.6
181.04944	17.6
191.06946	2.8
201.16324	76.6
219.17361	100.0
233.07904	2.5
300.21609	3.2
417.15106	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	416.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86662	0.1
53.03920	0.2
57.03404	0.3
59.04976	0.2
60.48217	0.1
62.07290	0.1
64.54046	0.1
69.03400	0.3
73.02869	0.7
79.05439	0.2
82.45428	0.1
83.04945	0.2
84.08193	0.1
85.02867	0.9
85.06541	0.2
87.04431	0.3
91.05454	2.0
93.07014	4.4
95.04910	0.6
97.02856	0.7
97.06492	0.2
98.97523	0.2
103.05437	2.6
105.05445	0.2
110.03497	0.2
111.04411	0.1
115.03883	0.3
121.06463	100.0
122.06884	0.5
133.04948	0.2
133.59102	0.1
135.73523	0.1
138.09097	15.5
152.05617	4.2
153.04051	0.3
163.03839	1.0
237.02731	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.9
55.05495	33.0
56.96521	1.9
57.03402	1.9
59.04987	3.8
61.02911	1.7
64.31996	1.7
65.03892	1.6
67.05473	10.3
69.03393	7.3
69.07051	20.2
71.04966	48.2
71.08595	1.5
72.25041	1.5
79.05467	12.0
81.03384	6.2
81.07021	36.1
83.04935	2.5
83.08576	2.8
85.02875	39.8
85.06509	10.4
86.09670	1.6
91.05453	15.5
93.07007	23.1
95.04911	3.4
95.08564	22.6
97.02840	9.8
97.06450	2.0
97.10126	2.7
105.06999	60.6
107.08556	27.0
108.08942	1.5
109.02883	1.6
109.06480	2.9
109.10110	21.3
117.06947	6.3
119.08543	42.5
121.10113	17.3
123.08026	2.8
123.10730	1.8
123.11636	6.3
125.09571	10.8
127.03883	3.1
127.11152	47.9
129.34203	1.5
130.07762	2.6
131.08527	9.3
133.10074	21.6
134.04474	2.0
135.08009	1.7
135.11644	14.3
143.10637	24.5
145.04924	2.0
145.10088	100.0
145.11247	3.8
147.11652	39.0
149.13214	3.5
151.11140	9.7
157.10028	2.0
159.11636	13.7
161.13184	10.3
167.06923	6.4
173.13191	1.9
191.17894	2.4
201.16338	32.3
219.17371	61.0
231.43665	1.6
252.54044	1.8
348.68546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01857	2.2
56.96558	1.3
57.03415	5.8
61.02908	7.8
62.79560	0.9
69.03037	1.6
69.03406	33.3
69.41824	1.2
70.06554	1.2
70.96340	0.9
71.04956	1.9
73.02892	7.9
81.03387	18.4
85.02876	84.5
85.06507	8.1
85.15038	1.2
87.04437	36.7
91.03931	1.8
92.08746	1.2
97.02858	34.5
98.97552	2.0
99.04406	8.7
99.82971	1.3
101.02344	1.1
105.05463	2.3
109.02838	13.2
115.03892	100.0
119.04885	1.7
127.03872	39.1
127.26240	1.1
129.50201	1.1
133.04924	19.1
145.04916	24.4
147.04381	10.3
163.05994	2.6
169.28375	1.0
174.05481	2.4
177.00580	1.3
202.04991	1.6
220.07845	1.2
222.41881	1.2
259.08057	9.4
277.09061	19.1
363.12274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.32
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83668	1.9
52.44122	2.3
53.00286	3.4
55.05489	23.6
55.22507	2.0
55.62344	1.9
56.96543	3.4
57.07061	4.2
61.41890	2.1
66.42131	2.0
67.05480	27.4
69.03384	3.1
69.07046	46.0
71.04966	14.1
79.05457	24.8
81.03387	3.8
81.07034	46.9
81.07520	3.3
83.08578	9.7
85.02854	5.7
85.06513	68.0
91.05441	31.2
91.30321	2.3
92.08710	5.9
93.07014	78.5
95.04921	3.3
95.08561	90.0
97.02843	3.7
98.97546	4.4
105.06995	82.4
106.07331	15.1
107.07881	4.8
107.08562	100.0
109.06452	9.1
109.10121	47.9
111.08077	3.8
116.10971	2.3
117.06973	11.9
119.08527	68.3
120.08849	5.9
121.10098	70.8
123.08065	2.5
123.11654	10.3
125.09586	3.4
128.06146	3.7
129.06995	3.4
131.08537	18.5
133.10098	46.3
135.11633	54.5
137.05956	5.6
143.08565	16.9
144.08865	13.7
145.10094	35.8
146.10420	4.0
147.11639	46.6
149.12166	2.3
149.13203	21.4
151.07332	2.6
157.10085	26.4
158.10464	10.0
159.11621	19.7
161.09572	2.9
161.13193	25.4
163.14764	19.4
169.10016	2.5
171.11708	5.1
173.13217	10.7
174.47426	2.4
175.11240	3.2
175.14743	10.4
177.16350	4.1
183.11725	3.7
185.13194	3.7
187.14784	9.3
189.16313	23.5
191.17876	34.2
193.12161	4.7
199.14786	27.3
200.15126	35.5
201.16367	10.5
203.17886	22.8
203.19489	2.3
213.16273	11.5
217.15802	28.1
217.19298	4.6
218.16154	38.4
219.17461	2.5
259.20462	3.7
273.21985	3.9
281.22672	3.4
285.22095	3.7
303.23019	3.7
313.25458	3.2
369.31375	47.9
387.32538	3.2
397.31003	3.1
415.31882	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	416.1321
Annotation	N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate
Peak:m/z	Relative Intensity
50.68031	0.2
63.37533	0.2
69.03399	1.0
69.07044	8.0
70.03712	0.2
70.06565	4.0
85.02868	1.0
86.09678	1.9
86.99043	0.3
91.05412	0.3
92.08731	0.5
93.06989	0.3
95.04936	0.4
97.02275	0.4
97.02857	6.8
107.04911	0.4
107.08580	0.3
119.03504	0.6
133.06451	0.4
136.06142	100.0
137.04543	1.0
138.74301	0.2
148.06139	26.3
154.27368	0.2
154.92294	0.2
154.93698	0.2
159.07977	0.3
163.03900	0.3
196.04169	0.2
204.12384	36.1
219.10220	0.3
229.15341	0.4
348.06973	1.7
378.90189	0.3
416.13217	8.1
416.18716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47540	1.8
53.03911	2.0
54.81248	2.2
55.05492	25.3
56.96526	2.5
57.07034	4.4
57.64490	1.8
61.02917	2.1
65.58924	1.9
67.05475	32.1
69.06737	2.6
69.07045	49.1
70.84608	1.8
71.04954	8.5
74.44383	2.6
77.03885	2.3
79.05470	31.7
81.07028	53.3
83.08585	14.8
83.74609	2.1
85.06008	3.7
85.06510	75.6
91.05433	34.6
92.08718	5.7
93.07014	76.6
95.04949	4.7
95.08571	89.2
97.06499	2.8
97.10089	3.9
98.97530	3.7
105.07007	47.8
106.89601	2.1
107.08559	100.0
109.06432	3.8
109.10126	46.3
111.08025	2.8
117.06989	5.1
119.08541	63.7
121.06438	3.0
121.10100	83.7
123.11702	18.1
125.06013	2.4
129.06927	2.9
131.08540	19.6
133.10091	45.2
135.08061	3.5
135.11641	72.5
137.13206	5.2
143.08549	3.3
145.10101	29.4
147.08095	2.6
147.11649	39.7
149.13222	28.2
157.10040	12.7
159.11642	23.5
161.09531	3.6
161.13187	30.0
163.14716	16.8
169.10010	3.9
171.11668	13.3
173.13202	12.6
175.11092	3.0
175.14774	4.7
177.16298	2.5
183.11603	4.8
185.09589	3.7
185.13196	4.7
187.14766	11.1
189.16306	16.7
191.17870	34.4
197.13176	4.3
197.18462	2.6
199.14804	10.8
201.16327	11.0
203.17909	35.6
204.38458	2.3
205.19536	3.3
213.16394	10.2
215.18056	2.3
217.19368	4.7
224.02469	2.7
255.20929	2.3
259.20410	9.1
261.28235	2.3
273.22018	3.5
369.31403	56.2
387.32468	3.0
397.30835	10.5
407.00421	2.5
415.31900	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	415.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	35.4
56.96539	4.8
58.91578	4.3
67.05474	35.9
68.66721	4.7
69.07042	55.7
71.04951	6.8
79.05484	39.3
81.07038	50.5
83.08593	12.5
85.06520	77.1
91.05444	38.1
91.37095	5.3
93.06998	83.8
95.08572	91.0
97.06526	9.0
105.07003	79.3
107.08573	100.0
109.10130	50.3
117.06961	5.0
119.08547	63.7
121.10104	81.3
123.11651	12.0
131.08496	6.3
133.10101	42.2
135.11667	74.5
143.08501	8.0
145.10062	28.4
147.08089	6.7
147.11650	51.0
149.13235	21.4
157.10011	7.8
159.11674	24.8
161.13191	22.3
163.14793	20.6
164.40591	5.5
169.53839	5.8
171.11642	7.4
173.13231	7.0
175.14769	11.2
185.13277	9.3
187.14867	6.0
189.16454	8.6
191.17924	29.2
199.14723	7.0
201.16322	10.9
203.17946	32.4
227.17975	7.9
241.19595	7.7
273.22110	10.4
369.31442	62.0
387.32608	9.7
397.30875	22.6
415.31998	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3194
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
55.05486	6.8
57.07055	3.4
63.94190	2.4
67.05476	6.2
69.07034	11.7
76.54403	3.0
79.05470	13.7
81.07023	28.2
83.08583	6.2
91.05431	6.2
93.06996	29.5
95.08576	49.8
99.08067	3.2
105.06950	19.5
107.08556	100.0
107.20188	2.9
109.10121	14.5
119.08527	50.5
121.10087	30.2
123.11641	4.1
131.08519	14.2
133.10081	18.4
135.11646	11.1
137.13205	19.2
145.10066	16.8
147.11659	11.7
149.13152	3.6
157.10153	3.1
159.11617	6.7
161.13139	19.7
163.14761	18.1
171.11624	3.7
173.13251	12.8
175.14804	3.8
177.16344	15.6
179.14276	3.6
179.45924	2.8
187.14751	18.3
189.16335	3.5
227.17908	4.3
229.19429	6.8
279.68857	2.9
297.25690	4.7
351.30478	4.6
369.31326	33.2
397.30936	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	415.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05489	2.0
57.03417	2.2
57.07060	0.8
58.87287	0.7
59.04976	1.1
59.92218	0.7
61.02896	0.9
62.91940	0.9
67.05474	1.6
69.03396	5.9
69.07050	3.8
71.04972	1.6
73.02892	1.8
79.05461	4.1
81.03384	1.3
81.07022	6.0
83.04946	1.4
85.02882	8.7
86.09680	1.1
91.05445	12.3
92.09338	1.0
93.07009	5.9
94.04167	1.9
95.04941	4.3
95.08570	5.5
97.02859	3.6
97.06479	9.0
101.05972	4.1
103.05413	1.6
105.06994	8.6
107.04944	1.1
107.08549	3.7
109.02855	0.9
109.06483	1.4
109.10126	2.0
111.04433	1.1
115.03880	1.6
115.05408	4.8
117.06985	4.0
119.04884	9.8
119.08540	4.9
121.06483	3.2
121.10101	1.8
122.03613	8.3
123.11619	1.4
125.06005	1.4
127.03881	1.3
128.06198	4.1
129.06975	8.6
131.04897	5.2
131.08521	10.1
133.06479	1.6
133.10065	5.9
135.08052	1.1
137.05939	100.0
141.06955	5.7
142.07758	4.3
143.08571	1.8
144.05678	4.8
145.06470	1.6
145.10083	3.4
146.07199	1.5
147.04390	1.4
147.08020	1.9
147.11641	1.6
149.05956	3.5
149.09532	1.4
151.03897	1.0
151.07544	8.7
152.06224	1.8
153.06963	4.5
154.07733	1.8
155.08533	5.7
157.06461	4.7
157.10094	3.9
158.07179	6.4
159.07990	8.5
159.11674	1.7
160.05049	1.0
161.05923	17.1
161.09575	5.5
163.07568	1.2
165.06932	5.3
167.08447	3.4
169.06430	5.2
170.07243	3.6
171.08025	7.0
172.08807	7.2
173.09579	4.9
175.07503	5.4
175.14760	3.4
179.08562	1.1
181.06517	3.0
182.07230	10.6
183.04414	1.3
183.07968	7.4
184.05132	3.5
184.08813	5.7
185.05923	4.9
185.09579	15.3
186.06720	1.8
187.07480	9.0
187.11151	6.5
189.09071	3.5
189.12730	1.4
191.06935	7.8
193.06516	1.8
194.07303	3.3
195.07973	2.0
197.05943	1.4
197.09546	15.0
198.06702	24.8
198.08484	1.2
199.07484	14.4
199.11163	1.5
200.08345	3.7
201.09050	6.2
203.08743	1.0
205.08440	1.0
209.06033	0.9
209.09558	1.2
210.06679	4.4
211.07497	6.0
212.08296	4.9
213.09042	34.7
215.10576	7.9
217.08479	2.0
217.15767	1.1
224.08186	1.8
225.09029	14.6
229.08279	1.5
229.10201	1.7
231.07904	3.1
231.10040	1.8
233.06024	1.2
235.16864	1.7
237.09015	1.5
242.09357	1.6
243.08049	2.1
243.10083	26.2
245.09497	4.1
245.11699	1.0
246.06482	1.1
246.10220	1.6
247.07484	1.8
248.08304	3.5
249.09013	1.1
251.06871	1.1
255.10062	8.6
257.09534	3.8
258.10370	1.0
259.07584	1.3
260.08182	1.7
261.08829	6.3
261.11288	1.4
262.09900	1.2
264.07690	1.9
265.08426	1.2
271.07538	1.3
272.08072	1.0
273.11154	66.5
274.09863	1.3
275.07108	1.3
275.10645	3.8
276.07773	1.6
277.08521	4.9
278.09225	3.3
285.08865	1.4
287.06943	1.5
288.07907	1.5
289.08588	4.8
289.12027	2.8
290.09344	1.3
291.10086	7.5
292.07156	3.4
292.10718	1.4
293.07956	4.2
293.11591	4.3
299.05579	1.3
301.08572	1.4
302.09348	4.0
303.09976	7.1
305.08115	1.4
305.11523	1.8
306.08728	1.6
306.12439	1.1
307.09601	12.1
308.10391	3.8
309.11099	1.2
315.09995	1.2
317.11578	4.1
318.12161	1.2
319.09543	4.1
319.13190	1.3
321.11069	5.6
325.07047	1.5
333.11053	1.2
334.11954	1.2
335.12558	4.7
336.13370	2.0
337.14426	1.4
339.12106	4.1
347.12753	1.1
349.14270	5.7
351.12158	8.6
353.13693	1.9
354.14401	14.1
361.14191	0.9
367.15338	4.5
379.15213	9.0
397.16330	82.8
415.19440	3.1
415.26682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	3.3
56.96552	26.0
57.03412	5.7
69.03392	15.8
71.04955	3.2
72.77868	2.7
73.02865	5.4
81.03387	5.8
84.95999	16.4
85.02879	21.7
85.06529	4.6
87.04443	5.3
94.80085	3.1
95.04945	4.0
97.02863	6.2
98.97549	59.1
98.98286	4.5
98.98383	4.3
103.07552	10.9
110.97530	17.6
112.99095	4.3
116.98584	40.9
127.03810	4.9
128.98552	48.3
129.62430	2.9
131.00154	6.1
134.99619	24.0
143.00127	3.3
146.99603	37.6
149.01141	4.8
158.99568	4.6
161.01112	10.9
163.03844	6.4
165.00633	5.7
170.99646	3.1
172.03947	3.6
177.00638	14.2
189.00662	6.5
190.04858	3.2
197.01176	11.6
199.02722	6.8
211.02802	5.1
218.04584	3.8
219.01648	44.6
229.03700	12.7
237.02711	100.0
245.73282	3.2
253.03571	3.5
255.03844	13.4
300.21878	2.8
307.04684	3.7
325.05923	4.0
355.06851	48.2
373.07907	25.9
381.61008	2.9
415.08749	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	415.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55836	3.7
53.65401	3.9
56.96548	4.6
57.03427	6.8
61.02899	8.0
62.03531	4.0
69.03405	35.7
72.08120	8.1
73.02874	7.4
75.14922	4.6
81.03387	6.6
83.04918	6.0
85.02882	47.1
86.06050	7.6
86.09666	9.3
92.08660	11.7
92.27653	4.5
97.02874	26.0
98.97554	42.3
116.98595	20.9
119.01923	18.3
127.03900	18.3
129.03098	7.3
137.42851	5.9
142.01669	5.8
145.03365	5.9
145.04958	5.8
147.04312	7.7
153.05725	9.8
154.60420	5.4
157.03436	11.6
158.99557	6.3
161.01173	8.7
162.03513	5.5
163.03847	11.5
163.48369	6.2
170.39877	4.9
173.01134	7.4
177.00658	5.6
179.02252	11.4
221.03294	5.1
223.06609	24.9
228.55780	6.0
239.04330	29.1
257.05298	6.5
265.07666	29.6
282.07932	6.9
285.01938	5.0
307.08630	11.0
355.44489	5.3
397.11792	6.1
415.09906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54885	1.0
55.05490	2.3
60.09709	1.1
66.46263	1.4
67.05461	4.5
69.03407	2.3
69.07036	2.9
71.04948	2.5
72.48237	1.1
79.05447	2.7
81.07011	5.9
83.04952	2.1
85.02857	4.7
87.04427	1.1
87.49458	1.1
91.05447	16.2
92.08701	1.4
93.06994	5.2
94.04141	2.1
95.04934	4.3
95.08562	4.6
97.06471	7.9
99.04442	1.2
101.05967	1.1
103.05419	6.1
105.06989	6.3
107.04936	2.0
107.08530	4.7
109.06495	5.2
111.04406	1.1
114.18315	1.2
115.05421	4.7
117.06955	2.8
119.04897	6.8
119.08504	5.3
121.10099	2.7
122.03575	8.0
128.06140	5.5
129.06979	11.1
131.04860	2.9
131.08534	6.8
133.02788	1.3
133.06425	1.3
133.10120	2.9
135.11737	1.2
137.05930	100.0
141.06929	7.1
142.07704	2.1
143.08464	1.8
144.05624	2.9
145.06438	4.5
147.04535	1.4
147.07957	1.4
149.05907	2.9
151.07474	13.2
152.06114	1.7
153.06944	7.4
154.07626	1.8
155.08525	6.4
157.06467	2.7
158.07201	6.3
159.08012	8.6
161.05936	19.0
161.09525	2.7
165.06924	7.6
166.07677	1.4
167.08527	2.3
168.05608	2.1
169.06384	1.8
170.07204	4.5
171.07962	9.2
172.08769	8.9
173.09532	4.5
175.07481	6.2
175.14749	2.1
181.06334	4.2
182.07191	13.3
183.07980	5.6
184.05113	2.5
184.08696	7.3
185.05908	4.7
185.09532	20.2
186.06670	2.8
187.07481	7.0
187.11101	2.4
189.08994	2.7
189.12663	1.7
191.06894	8.4
194.07214	4.7
195.08063	2.6
197.05820	1.3
197.09558	20.0
198.06685	34.5
199.07466	15.9
199.11137	2.0
200.08253	2.7
201.09102	8.6
202.07668	1.6
210.06671	4.6
211.07477	5.8
211.55981	1.2
212.08241	12.0
213.09033	39.4
215.10599	9.9
216.09273	1.4
217.08443	2.5
224.08257	2.2
225.09055	19.3
231.07938	4.2
231.10071	2.8
233.09679	1.6
235.16708	2.4
242.09286	2.3
243.07826	2.6
243.10063	26.9
245.09467	2.5
245.11688	2.7
249.08842	1.6
255.10106	12.4
257.09439	2.1
259.07339	1.5
261.08905	6.0
261.11365	2.4
262.09692	2.2
264.07809	1.6
265.08533	2.5
269.09390	1.4
271.07376	2.7
273.11139	68.6
275.10562	2.4
276.07739	2.2
277.08469	6.6
278.09171	1.9
283.09525	1.7
285.08694	1.4
286.10004	1.5
287.10367	1.7
288.07764	1.5
289.08435	5.5
289.12085	1.6
291.09869	9.2
292.07220	2.6
292.10709	2.4
293.08234	2.7
293.11606	5.3
302.09232	2.8
303.09985	7.6
305.11554	6.1
306.08789	2.5
307.09537	13.1
308.10223	2.7
317.11600	4.5
318.12430	1.8
319.09451	1.9
320.10297	1.4
321.11035	8.2
329.11511	1.5
333.10953	2.0
335.12643	4.3
336.13431	2.5
339.11859	3.7
348.13297	1.5
349.14267	4.9
351.11890	8.1
354.14481	13.2
367.15228	7.2
379.15149	6.1
397.16312	89.0
415.19434	1.5
415.26358	2.2
432.48239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
55.82233	0.8
56.27472	0.9
56.96553	0.9
64.49974	1.0
67.05479	2.4
68.55566	0.9
69.03412	1.1
69.07052	1.6
71.04961	16.2
71.17310	0.9
79.05466	1.4
81.07034	4.6
83.08575	1.9
85.02869	5.8
85.06528	1.8
91.05439	1.7
93.06984	1.5
93.76006	1.1
96.66900	1.0
97.02857	1.3
105.06293	1.9
105.06995	56.4
107.08567	13.7
109.06503	1.2
117.07008	1.2
119.04891	1.8
119.08527	22.8
121.10107	1.4
128.06174	1.9
129.06989	2.0
131.08533	5.2
133.10115	5.5
142.07747	4.4
143.08504	31.8
145.10075	25.6
147.69473	1.0
156.09283	1.4
157.10077	29.7
159.11649	2.3
171.11673	1.9
175.14877	1.1
199.14757	64.3
217.15811	100.0
332.47464	1.1
339.22485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	46.3
55.83178	2.1
57.07064	28.6
58.06590	3.2
66.74931	2.2
67.05478	3.9
69.07038	55.6
71.08606	10.9
81.07024	10.8
83.08586	40.9
85.10144	5.5
88.27563	2.5
90.31104	2.0
92.09296	4.7
93.07006	4.1
95.08582	5.7
97.10123	34.4
102.05492	17.4
104.07067	100.0
107.08562	4.9
111.11691	11.1
119.08475	2.3
121.10150	2.3
123.52483	2.4
177.46468	2.4
218.44960	2.3
218.88138	2.7
230.76396	2.6
242.73676	2.4
293.28329	3.6
303.18069	2.5
396.34442	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	414.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72705	0.2
53.00282	0.5
53.03925	1.4
55.01850	2.1
56.96552	0.3
57.03419	34.8
59.04985	3.4
60.04483	0.7
61.02608	0.6
61.02905	11.4
64.08792	0.3
68.03684	0.3
69.03405	57.0
69.07041	0.5
71.01329	2.3
71.04961	2.0
73.02888	37.9
75.04439	2.3
81.03390	5.8
83.01298	0.4
83.04941	0.7
85.02876	100.0
87.04434	25.8
88.12771	0.3
89.65179	0.3
91.03924	4.3
91.61025	0.3
92.09304	0.4
93.07005	0.4
95.04914	2.4
96.05270	0.4
96.68911	0.3
97.02855	52.2
99.04413	4.2
101.02344	0.4
103.03906	1.3
105.07031	0.4
109.02845	7.1
109.06540	0.4
111.04445	0.5
114.34447	0.3
115.03892	34.3
121.06442	0.5
127.03868	18.5
133.04919	26.0
135.04239	0.3
137.05998	0.5
145.04915	28.1
150.07573	2.8
163.05956	13.3
169.04941	0.5
180.08640	0.4
198.42166	0.3
203.46735	0.3
223.05989	1.6
225.91751	0.3
241.07013	1.9
259.08167	2.1
265.16351	2.9
277.09186	1.2
282.19104	0.4
295.10150	1.8
312.69095	0.3
413.21497	0.5
414.21429	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	414.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63285	0.9
54.80976	0.9
55.01858	6.2
56.27748	0.9
57.03416	22.0
57.25019	0.8
61.02901	16.3
69.03404	35.2
71.01334	5.6
71.26700	0.9
71.59841	1.0
73.02886	79.0
81.03387	7.9
81.07037	1.0
83.04981	1.0
85.02875	100.0
87.04435	6.6
91.03916	4.9
91.05441	1.0
95.02879	1.2
97.02855	49.6
99.04420	6.1
103.03913	1.2
109.02843	9.3
115.03889	18.9
127.03870	23.2
133.04916	16.2
145.04909	32.3
145.65623	1.2
163.05934	15.9
171.04387	1.0
206.40865	1.2
223.05826	1.5
241.07018	3.7
259.08066	5.5
265.16364	2.4
277.08835	1.1
299.05270	2.0
330.04904	1.2
370.00241	1.2
370.83469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.9
55.01875	1.1
56.96550	1.4
61.02910	1.0
67.05485	1.8
67.37333	1.0
69.03406	1.3
69.07038	4.4
71.04967	16.6
72.56285	1.2
79.05449	1.7
81.07024	6.1
83.08582	1.8
85.02882	6.0
85.06532	1.9
89.33593	1.1
91.05443	2.2
93.07014	4.3
95.08579	2.5
97.02877	1.8
105.03288	1.1
105.07001	61.2
105.35758	1.1
107.08556	13.8
109.10201	1.4
116.98552	1.7
119.04925	2.5
119.08540	26.0
128.06178	2.7
129.07008	1.4
131.08540	5.0
133.10080	4.8
136.15808	1.0
137.09691	1.2
142.07747	6.2
143.08531	39.1
145.10074	28.0
147.11569	1.2
150.40477	1.2
157.10083	34.1
159.11658	5.0
171.11613	1.9
199.14767	76.3
217.15810	100.0
426.86169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94830	0.5
53.03927	1.0
55.01841	1.6
55.05491	0.9
57.03414	29.6
57.07026	0.8
59.04976	1.6
59.21243	0.6
61.02898	10.8
63.20163	0.5
65.54437	0.6
69.03397	51.1
69.07032	1.0
71.01313	1.3
71.04955	3.1
73.02881	37.9
75.04426	1.1
79.05472	1.0
80.12677	0.6
81.03379	6.9
81.07034	0.8
83.04932	3.4
85.02869	100.0
85.10141	3.1
87.04429	19.3
87.18029	0.7
91.03915	3.8
93.06993	2.7
95.04865	0.8
97.02849	51.8
97.06459	1.0
99.04420	5.5
101.02376	1.0
103.03902	1.0
104.43850	0.8
105.06984	1.3
109.02837	8.3
111.07986	0.7
115.03889	29.6
121.06456	0.9
125.05948	1.1
127.03860	21.4
133.04913	17.8
145.04903	26.5
145.10114	1.2
149.69307	0.6
150.07617	1.1
151.03850	3.2
163.05945	12.2
181.04857	0.9
208.09628	0.9
216.10793	0.7
223.05986	0.8
235.09668	0.7
241.06900	1.5
259.08008	3.8
265.16373	1.6
283.05811	6.3
295.10022	2.6
309.07504	3.6
337.06989	1.5
351.44351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23423	0.3
55.01845	0.7
56.96540	0.8
57.03152	0.5
57.03418	8.8
58.06683	0.4
59.04972	0.6
61.02904	2.8
67.05486	0.5
67.07468	0.4
69.03407	9.4
70.06577	0.4
71.01318	0.7
71.04984	0.4
71.06667	0.3
73.02887	17.4
80.05112	0.4
81.03382	0.9
85.02876	14.4
85.06516	100.0
85.64697	0.3
87.04443	2.3
91.05469	0.3
95.06054	0.5
97.02854	12.2
98.97561	0.9
99.04419	0.4
103.03920	0.5
103.07552	18.0
109.02866	1.6
112.21819	0.5
115.03880	5.1
121.12426	0.3
127.03889	3.1
133.04938	2.6
133.89357	0.4
136.06148	0.6
139.03902	0.4
145.04895	2.9
147.04340	0.7
150.07617	0.4
163.03812	0.4
163.05943	0.6
166.08589	0.7
174.95355	0.4
181.08505	0.5
199.09593	0.4
203.07051	0.6
234.11186	0.7
262.74371	0.5
279.60654	0.4
295.10220	0.6
373.04660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2133
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.45065	0.2
54.39730	0.2
55.01852	0.4
55.05489	0.5
57.03409	0.6
61.05974	0.3
67.05484	0.6
69.03388	1.6
71.04970	0.5
73.02874	0.7
77.98811	0.3
81.03360	0.3
81.07003	0.4
81.22662	0.3
85.02879	2.4
86.03191	0.3
87.04445	0.4
91.05421	0.5
97.02856	0.6
105.84951	0.3
107.08563	0.4
114.77563	0.3
115.03791	0.4
119.08571	0.3
121.06380	0.3
127.03896	0.5
140.14261	0.3
179.97545	0.4
203.05182	0.6
216.97420	0.4
220.65591	0.3
259.07776	0.7
339.14090	0.4
395.20209	1.3
413.21307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.4
55.01846	3.6
57.03418	58.1
57.07051	3.6
59.04968	6.0
60.04494	3.4
60.90147	0.8
61.02904	20.0
63.14359	0.9
67.05476	0.9
69.03403	61.9
71.01315	6.0
71.04967	2.1
73.02887	100.0
73.06514	9.6
74.09699	1.1
75.04446	2.0
81.02947	0.8
81.03384	6.6
85.02874	87.6
85.41428	0.9
87.04430	19.6
91.03917	2.1
92.08657	0.8
97.02853	72.8
98.06005	1.9
99.04399	4.4
101.02294	0.9
103.03928	4.2
103.07553	1.6
109.02846	4.4
115.03887	48.4
117.03280	1.5
127.03873	20.1
133.04910	21.4
144.06525	4.8
145.02791	1.0
145.04907	23.0
147.04387	3.5
149.11755	1.6
150.07629	2.0
162.07562	3.8
163.03838	7.1
163.05922	7.5
175.08595	1.0
180.08591	1.5
219.11217	0.9
223.05936	4.5
241.06950	1.9
247.11676	0.9
259.08081	3.9
265.12561	2.7
294.11588	3.4
295.10172	1.7
342.60593	1.1
347.64786	1.1
413.21573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06629	1.2
54.80575	1.3
55.01849	1.6
55.05486	3.0
57.03149	2.5
57.03418	44.7
61.02905	16.9
69.03404	37.5
71.01333	2.7
71.04944	6.6
73.02888	78.4
81.02876	1.4
81.03362	5.8
83.08591	7.3
85.02876	100.0
85.83901	1.5
87.04433	3.3
91.03923	3.9
94.79077	1.7
97.02853	51.8
99.04427	3.2
102.86166	1.9
109.02855	9.4
115.03882	26.7
127.03892	20.6
132.06483	2.2
133.04916	8.2
141.52594	1.9
145.04938	28.7
163.05971	6.9
205.68257	2.1
241.06972	2.4
259.08008	2.7
263.14868	2.9
295.10190	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.0
57.03401	2.0
57.07043	0.4
61.02899	0.8
67.05466	0.4
67.12938	0.3
69.03407	3.3
69.07043	5.3
70.30968	0.3
71.04977	0.5
73.02882	3.3
74.06046	1.8
78.10997	0.3
81.03391	0.4
81.07017	0.5
83.08592	12.1
85.02879	6.1
87.04415	0.6
87.66087	0.3
97.02864	3.5
99.04425	0.6
101.09624	5.7
102.05498	0.7
109.02832	0.8
115.03892	1.8
119.03517	2.3
119.10647	4.0
120.06528	5.0
127.03852	1.4
133.04903	0.5
135.04353	0.7
136.06139	100.0
137.04526	1.8
137.05885	0.5
145.04977	1.1
147.04390	0.8
162.04054	57.7
163.03864	2.2
179.03320	0.3
194.76921	0.3
235.92244	0.4
240.61676	0.3
281.09827	28.4
413.14038	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	412.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	6.8
55.93465	0.7
57.03416	16.1
59.04967	1.2
59.65641	0.6
61.02904	14.4
69.03035	1.2
69.03405	34.2
71.01315	3.1
71.04959	2.8
73.02888	76.1
79.74428	0.6
81.03371	7.6
83.08597	1.2
83.88338	0.6
85.02874	100.0
87.04436	5.4
91.03912	4.6
97.02854	47.7
99.04417	5.0
101.25557	0.7
103.03923	1.7
109.02848	11.0
111.04452	0.9
113.51192	0.6
115.03896	22.5
127.03860	23.3
133.04912	21.0
145.04912	24.8
150.07526	0.8
163.05948	15.2
163.07198	1.0
181.06804	0.7
197.11673	0.9
223.05933	1.6
241.07008	3.3
259.08118	7.4
263.14804	5.4
277.09006	1.5
295.10062	5.0
411.19873	1.3
412.20004	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	412.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.3
53.49419	0.8
55.01850	1.6
55.05477	1.6
57.03154	1.2
57.03419	27.7
57.24341	0.9
59.04985	0.9
61.02905	13.4
69.03036	1.3
69.03407	31.0
71.01316	1.0
71.04953	2.0
73.02886	55.9
81.03395	8.1
83.08600	2.0
85.02874	100.0
87.04440	3.7
91.03901	3.2
92.09361	0.9
97.02856	40.9
99.04428	4.0
99.74598	0.9
109.02840	7.9
110.55742	0.8
115.03891	20.8
127.03858	24.5
133.04942	3.7
145.04915	29.4
150.07539	1.4
163.05956	19.0
167.76489	0.9
177.91182	0.8
181.46541	1.0
185.54967	1.0
241.06938	1.8
259.08041	5.1
263.14761	7.7
295.10223	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
54.39746	1.5
54.80489	1.1
55.01850	9.8
55.05498	3.0
57.03420	23.9
59.04969	1.3
60.57367	1.1
61.02900	19.6
69.03400	36.8
71.01334	3.5
71.04964	3.0
73.02886	89.3
73.92577	1.5
76.50629	1.3
78.63094	1.4
80.21085	1.3
81.03386	6.9
83.08578	3.3
84.86531	1.3
85.02873	100.0
87.04424	3.6
91.03912	2.0
92.09314	2.2
93.43756	1.4
97.02854	51.9
99.04417	5.8
103.03905	2.8
109.02843	10.8
115.03882	15.7
120.37452	1.6
127.03869	21.0
129.89621	1.3
133.04922	19.3
139.07495	1.7
145.04904	27.1
163.05928	12.7
167.07010	1.8
168.39070	1.7
222.39105	1.5
223.05876	2.2
240.14017	1.5
241.07057	3.4
254.47983	1.6
259.08096	6.1
263.14764	2.5
295.10226	2.2
417.51328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3611
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
54.23200	2.5
55.05501	9.5
57.07061	3.4
60.85495	2.0
62.55574	2.0
63.09972	2.2
66.77125	2.2
67.05476	14.8
69.07042	17.5
76.96625	2.4
78.50806	2.2
79.05466	6.1
81.07034	49.0
83.08582	4.7
89.34277	2.6
91.05431	17.5
93.07011	29.2
95.08563	100.0
105.07026	21.0
107.08562	48.2
109.10130	27.4
109.71043	2.9
111.08090	2.8
119.08550	34.9
120.47848	2.6
121.10098	33.2
123.11630	13.6
131.08519	13.2
133.10100	26.5
135.11685	24.9
137.13243	22.9
145.10069	17.1
147.11598	24.5
149.13239	24.7
157.10112	4.9
158.87013	2.6
159.11638	5.7
161.13232	16.1
163.14757	11.5
171.11589	5.5
173.13190	20.4
175.14795	6.1
177.16237	3.9
185.13278	3.2
187.14787	10.1
189.16364	16.0
203.17888	15.1
205.19461	11.4
213.16269	3.6
215.17876	5.7
225.90146	2.9
263.75070	2.7
354.79196	2.8
393.35138	35.8
411.36008	14.6
429.48221	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	411.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
54.81156	1.2
55.05495	17.6
57.03411	1.2
57.07063	5.3
64.01876	1.2
64.32676	1.4
67.05481	28.1
69.07043	24.7
71.04984	1.8
73.00192	1.0
75.68633	1.3
78.36066	1.2
79.05451	20.1
79.36729	1.3
81.07030	55.5
83.08591	10.3
91.05440	21.1
92.62792	1.2
93.07014	48.5
95.08575	100.0
96.53162	1.2
97.06501	1.6
97.10145	7.9
105.07007	53.9
107.08562	86.3
109.10124	54.6
111.11710	1.7
111.47672	1.3
117.06958	3.0
119.08547	70.2
121.10107	61.0
121.10985	1.5
123.11668	19.0
131.08510	8.6
133.10083	51.6
135.11662	40.3
137.09573	1.9
137.13214	5.8
143.08537	2.8
145.10081	11.0
147.11652	50.5
149.13185	17.5
151.07504	2.4
157.10075	1.8
159.11630	14.3
161.13199	32.5
163.14758	28.3
173.13234	10.5
175.14763	19.6
177.16356	12.4
179.06940	2.5
179.14247	7.6
185.13248	2.1
187.14745	10.8
189.16335	40.0
191.06824	1.7
191.17880	21.6
201.16362	6.8
203.17905	47.0
205.19528	1.5
207.17361	8.2
213.16389	3.0
215.17857	5.7
217.19580	6.4
221.18790	1.4
229.08371	1.5
229.19463	5.2
231.20955	7.1
243.21135	1.6
297.25699	1.9
393.35046	15.6
411.13995	2.5
411.36035	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	17.1
62.63042	3.2
67.05472	20.2
68.56206	3.2
69.07037	22.1
76.55557	4.2
79.05466	7.1
81.07032	47.6
83.08569	7.8
89.06004	4.2
91.05434	17.4
93.07000	43.0
95.08575	100.0
105.07001	43.9
107.08560	76.3
109.10143	51.4
119.08548	60.1
121.10082	43.9
123.11655	7.9
131.08517	7.6
133.10075	54.2
135.11644	49.8
145.10097	16.1
147.11650	30.5
149.13203	20.8
159.11629	15.3
161.13194	43.2
163.14757	23.3
173.13197	17.0
175.14745	43.3
177.16383	6.5
187.14630	12.8
189.16344	36.3
191.17854	17.0
201.16330	5.8
203.17946	28.6
207.17354	39.4
215.17879	7.2
217.19499	5.3
229.19505	6.4
323.27710	3.6
393.34940	21.7
411.36285	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	411.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	8.4
67.05471	17.8
69.07035	29.1
69.07374	4.7
76.07581	5.1
79.05471	6.5
81.07033	53.2
83.08611	6.0
87.52579	4.9
91.05457	9.5
93.07001	35.6
95.08564	100.0
97.10094	6.0
105.06990	51.8
107.08565	50.1
109.10117	51.1
119.08539	62.6
121.10104	46.9
123.11680	9.0
133.10069	51.4
135.11633	33.3
145.10104	9.5
147.11632	31.8
147.74484	4.4
149.13220	22.5
152.16772	4.5
152.66286	4.5
159.11670	9.8
161.13185	30.6
163.14774	24.8
173.13246	6.2
175.14717	43.4
177.16327	5.4
187.14745	7.4
189.16313	42.9
191.17850	11.3
201.16389	6.4
203.17854	48.9
207.17427	7.3
215.17946	5.6
324.53735	5.0
393.35001	11.4
411.36206	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	411.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60847	0.8
55.05498	1.0
55.35960	0.8
56.96561	0.9
63.16634	1.0
67.05476	1.1
76.25392	1.0
79.05475	1.2
81.07013	1.7
91.05428	1.4
93.07025	1.2
95.08586	2.3
105.06976	1.9
107.08574	1.2
119.08521	1.9
121.10064	1.7
135.11649	1.0
144.75070	1.1
175.14737	1.4
265.93170	1.0
335.11325	1.1
335.60251	1.0
387.17880	1.1
411.27017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66100	2.9
55.05478	17.3
58.51867	3.2
67.05475	30.6
69.07038	18.9
79.05449	17.8
81.07021	68.2
83.08572	16.6
91.05441	19.2
93.07000	59.2
95.08562	100.0
96.66320	3.5
105.06988	39.8
107.08566	82.3
109.10116	48.3
119.08532	69.1
121.10082	56.1
123.11632	14.4
131.08502	14.1
131.22191	3.1
133.10094	41.3
134.48431	3.5
135.11681	35.2
137.13203	22.6
145.10085	18.4
147.11623	26.6
149.13213	26.9
159.11646	16.5
161.13206	26.8
163.14767	19.3
165.12627	3.7
171.11554	6.4
173.13152	15.9
175.14745	16.0
177.16307	16.8
185.13203	4.8
187.14690	8.0
189.16277	21.6
191.17923	20.1
201.16261	5.7
203.17844	15.8
217.19514	6.6
231.20853	4.4
245.22386	3.7
393.35028	16.2
411.35965	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01859	3.1
55.05490	16.5
55.37130	2.2
56.64176	2.0
57.03419	48.5
61.02909	18.6
69.03410	50.0
71.01337	5.4
71.04948	4.8
73.02889	78.1
73.50459	2.6
75.08348	2.4
79.05470	23.7
81.03383	54.3
81.07030	100.0
82.03727	10.7
83.04929	3.1
84.46780	2.5
85.02875	76.4
85.42576	2.2
86.76270	2.5
87.04442	3.2
89.03900	3.1
91.03949	3.3
97.02855	66.3
99.08037	19.0
109.02867	3.4
115.03899	33.7
127.03872	11.9
133.04916	16.5
133.49030	2.6
135.04387	10.6
145.02812	2.6
145.04919	14.3
163.03860	27.3
194.64130	2.7
287.80942	2.9
323.02466	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	411.1981
Annotation	Flumethasone
Peak:m/z	Relative Intensity
54.81221	0.3
62.54967	0.3
69.03387	0.4
70.04179	0.4
71.04967	0.5
83.08578	0.4
85.02873	0.5
87.44640	0.3
93.07027	0.4
107.08576	0.4
107.49693	0.3
169.10071	0.4
174.94307	0.3
231.85829	0.3
249.14552	0.6
366.79260	0.4
411.19781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10852	2.3
72.06483	3.4
73.03565	2.6
73.37340	2.3
76.19112	2.4
85.32615	2.6
96.42569	2.6
104.88622	2.5
119.01871	4.4
157.03329	3.3
159.02415	3.3
167.66209	2.5
172.25484	2.8
212.55542	2.6
223.06609	2.8
263.42087	2.8
411.06662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97635	0.8
55.05494	7.3
57.06789	2.1
57.07058	51.6
64.00604	1.0
64.70800	0.9
67.05478	8.2
68.05800	1.6
69.07034	7.5
71.08604	31.8
73.06517	4.3
77.30679	1.0
79.05453	6.2
81.07030	18.8
82.07363	1.3
83.08603	4.3
85.10151	19.8
89.05997	100.0
89.98811	0.9
91.05433	7.8
93.07016	18.1
94.07327	2.6
95.04926	5.7
95.08566	29.5
96.08907	6.7
97.10152	2.3
99.11709	2.3
105.06979	21.0
106.07351	5.6
107.07041	2.6
107.08569	18.8
108.08886	2.0
109.06435	1.6
109.10120	10.9
111.08057	1.6
117.05737	1.1
117.06994	1.8
119.08540	18.3
120.08873	6.1
121.06494	1.1
121.10089	9.2
122.10443	2.2
123.08018	1.6
123.11641	1.6
124.12063	1.2
130.08742	1.1
131.08501	6.1
132.08813	1.3
133.08562	28.6
133.10088	8.3
134.10516	3.9
135.11656	7.0
142.07774	1.2
143.08543	4.8
145.10112	11.0
146.10500	5.0
147.11667	8.9
148.12006	4.2
149.02289	9.0
149.13202	6.4
151.09564	1.1
155.08420	1.3
157.10123	4.1
158.10464	1.5
159.11639	6.2
160.11948	1.7
161.13156	2.4
162.13579	1.6
163.14751	5.3
164.15175	1.2
171.11633	2.2
173.13277	2.1
175.14723	5.5
176.15126	1.7
177.11156	6.6
177.16339	2.8
178.16591	1.3
187.14688	9.3
188.15120	2.6
189.16365	1.9
190.16747	1.5
195.12256	1.7
199.20537	1.5
201.16342	2.1
203.17844	4.4
204.18159	1.8
213.16350	4.4
214.16736	1.9
215.17799	2.2
216.18243	1.2
239.14827	17.6
243.23103	5.0
255.21065	1.7
269.22275	1.6
287.25790	2.4
340.51352	1.1
349.29346	1.4
392.33438	1.7
393.31940	44.2
409.34552	4.3
410.27490	1.5
410.34888	11.8
421.55478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.05246	1.8
55.05482	14.9
57.07057	47.2
64.32515	1.8
65.89825	1.8
67.05466	24.9
68.20172	1.6
69.07034	22.2
71.08596	2.1
79.05458	19.2
79.58116	1.6
81.07027	61.7
83.08583	9.2
85.06512	2.2
91.05456	17.0
93.07011	48.2
95.04952	8.0
95.08572	100.0
97.06424	2.1
97.10118	2.7
105.03387	5.6
105.06985	33.4
107.08556	66.4
109.06505	2.9
109.10114	37.7
117.06981	9.0
119.07743	3.8
119.08543	80.3
121.10096	52.1
123.08022	2.9
123.11658	22.9
128.31570	2.3
129.06876	2.1
130.07773	2.1
131.08527	24.1
133.10080	48.9
135.08002	10.6
135.11647	35.1
137.13214	22.7
143.08508	9.7
144.09280	3.2
145.10088	58.3
147.11646	23.1
149.05899	8.0
149.13203	16.0
156.09274	2.1
157.10049	17.3
158.10863	11.9
159.11642	49.9
161.13206	19.3
163.14767	15.5
169.10045	2.8
171.11607	9.4
171.34160	2.1
172.12378	2.3
173.13197	65.7
175.14763	9.0
177.16286	2.3
179.14233	3.4
183.11641	10.7
185.13176	11.4
187.14734	25.0
189.16301	12.5
191.17860	9.1
197.13225	2.5
199.14745	14.5
201.16290	15.1
203.17934	7.6
207.11205	7.0
211.14774	2.3
213.16379	8.8
215.17783	3.1
217.19482	2.8
224.13908	3.5
227.17824	3.6
229.19473	4.0
231.17560	2.3
237.64726	1.9
243.80544	2.0
308.19623	10.8
374.24158	8.7
391.18594	2.2
391.33484	13.2
392.25214	25.1
409.34415	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05817	1.4
53.49818	1.2
55.05486	10.2
56.98521	1.3
57.07048	8.6
64.32908	1.3
66.04988	1.3
67.05479	22.2
69.07049	26.4
71.08614	2.3
79.05462	15.2
79.15218	1.5
81.07028	65.0
83.08578	10.7
91.05437	18.4
93.07008	37.2
95.08575	100.0
97.10141	2.9
105.06995	38.2
107.07890	2.9
107.08561	54.2
109.10125	32.9
111.11687	2.3
117.06969	8.1
119.08535	66.1
121.10107	32.5
123.08067	2.4
123.11665	19.7
125.40142	1.5
128.06184	1.8
129.06891	1.6
131.08511	23.9
133.10075	32.3
135.08029	3.4
135.11632	25.1
137.13219	27.5
142.07672	1.7
143.08568	10.3
145.10085	27.2
147.11655	21.4
149.13222	11.2
155.08507	1.6
157.10051	12.9
158.10857	2.8
159.11630	21.9
161.13191	18.0
163.11087	2.1
163.14754	10.1
169.10023	5.7
170.10681	2.4
171.11630	14.1
173.13203	25.8
175.14716	16.1
177.16266	5.1
179.14214	1.9
181.10045	1.9
183.11633	3.6
185.13181	12.8
186.13940	1.8
187.14760	20.1
189.16331	9.8
191.14264	3.5
191.17853	2.6
199.14758	13.0
201.16350	13.0
203.17857	7.6
211.14767	12.4
213.16280	6.3
214.17088	2.6
215.17911	6.2
217.19524	2.2
225.16354	3.4
227.17903	2.7
229.15797	2.5
229.19437	18.1
231.20944	2.5
241.19441	5.8
243.21021	2.3
247.20436	6.2
255.21043	3.1
269.22580	2.2
283.20557	1.9
283.24121	1.9
295.24039	2.1
353.28174	1.7
376.50156	1.7
381.34842	6.0
391.33438	18.9
409.29211	1.8
409.34534	55.7
412.36633	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.5
55.66722	0.9
57.07038	2.8
67.05486	15.4
69.07045	22.3
71.08583	1.4
79.05460	15.1
81.07027	42.8
83.08594	8.4
91.05437	12.3
93.06419	2.4
93.07008	45.0
94.27443	1.2
95.04923	1.4
95.08578	54.6
97.10114	2.7
98.57355	1.1
105.06299	1.5
105.07000	31.6
105.13617	1.2
107.08559	62.6
109.10123	18.8
111.08052	1.4
117.06970	5.9
118.68468	1.2
119.08536	41.5
121.09271	2.3
121.10101	43.0
123.11645	8.3
129.06987	5.0
131.08513	15.8
133.10092	35.0
135.11655	20.6
137.13225	6.2
143.08508	13.4
145.10098	20.3
147.11635	35.0
149.13222	38.2
157.10127	14.0
159.11667	22.4
161.13200	14.2
163.14761	44.7
171.11652	17.0
173.13243	15.7
175.14735	10.0
177.16283	8.4
179.14240	2.1
183.11734	1.6
184.49678	1.4
185.13176	11.8
185.94548	1.3
187.14778	14.3
189.16359	15.6
197.13245	2.4
199.14713	9.4
201.16353	8.7
203.17883	14.8
212.15536	1.6
213.16322	14.7
215.17848	17.2
225.16327	2.1
227.17894	12.4
228.18675	2.0
229.19438	13.0
231.20993	2.4
241.19409	33.0
243.20966	5.8
255.21004	23.6
257.22574	6.1
259.20526	2.1
267.30838	1.5
269.22568	15.3
285.22018	16.6
295.24274	1.9
391.33353	10.3
409.34503	100.0
410.35101	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19462	5.4
54.85836	5.4
55.05494	26.9
56.09668	5.6
57.07058	7.1
61.16098	6.2
61.20094	5.9
64.32217	6.3
67.05479	28.8
69.07031	39.9
74.74922	5.6
76.70921	6.8
79.05442	13.4
81.07029	62.1
83.08594	16.1
90.16798	5.3
91.05448	13.8
92.08735	7.9
93.07014	33.8
95.08561	78.8
97.10127	7.1
105.06985	51.0
107.08562	59.7
109.10114	49.2
119.08508	61.7
121.10086	53.0
123.11681	8.3
131.08528	29.4
133.10112	50.3
135.11592	11.8
143.08580	11.0
145.10095	42.2
147.11656	15.1
149.02295	7.8
149.13179	11.2
152.04388	8.0
157.10205	8.5
159.11665	32.1
161.13222	10.4
163.14738	8.3
169.10025	7.1
171.11624	11.5
173.13174	8.6
175.14787	15.3
183.11726	9.5
185.13196	15.6
187.14764	13.9
189.16284	15.7
201.16371	10.2
203.14171	29.3
215.17790	9.1
217.19620	6.9
241.19577	8.2
265.08856	8.2
270.15778	8.0
292.35950	6.6
295.86078	7.5
375.10352	7.8
391.33765	8.4
401.31332	8.3
409.34421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61639	1.4
53.03937	1.6
55.01836	1.8
55.05492	19.0
57.07060	4.1
57.91387	1.4
66.79910	1.4
67.05483	31.2
69.03394	3.3
69.07042	28.1
71.04953	2.6
71.08600	1.6
72.58299	1.4
79.05468	21.6
80.51221	1.6
81.07024	69.9
83.08590	9.5
84.70092	1.5
91.05460	20.2
92.08662	4.3
93.07014	49.0
95.04932	15.9
95.08569	88.8
97.06503	2.1
97.10139	4.1
105.06992	49.9
107.04922	2.2
107.08561	78.3
107.09292	2.6
109.06495	3.9
109.10114	47.6
111.08051	3.8
117.06986	3.7
119.08540	100.0
121.10091	45.8
123.08024	4.1
123.11691	20.4
129.06912	3.5
130.07716	1.8
131.08534	30.7
132.90741	1.8
133.10071	66.3
135.11650	37.5
137.13234	14.7
142.07745	2.3
143.08513	14.3
144.09326	2.4
145.10075	56.3
147.11639	26.6
149.13167	13.9
151.11143	3.1
153.95752	1.7
156.09290	2.5
157.10092	14.8
158.10870	3.9
159.11638	53.5
161.13200	17.1
163.14777	16.7
167.11897	1.8
169.10056	6.9
171.11604	14.6
173.13200	64.3
175.11156	1.7
175.14783	21.7
177.16338	11.5
183.11627	9.4
185.13174	18.1
187.14793	22.7
189.16295	17.3
191.17882	6.3
193.15845	9.4
197.13257	3.8
199.14761	10.3
201.16299	17.4
203.17926	13.8
205.16078	2.1
211.14691	3.8
213.16348	11.1
215.17902	2.9
217.19408	4.1
222.81995	2.4
229.19431	2.6
243.20872	2.5
259.23822	2.1
269.22501	2.6
391.33511	13.8
409.29807	3.1
409.34531	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	409.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.9
57.03394	1.2
57.07067	2.5
67.05476	26.4
69.07037	20.0
71.22652	1.0
78.03008	0.9
79.05453	23.6
81.07024	45.2
81.07492	2.2
83.08579	9.4
91.05439	20.9
93.07001	39.1
95.04959	1.8
95.08568	100.0
97.10129	2.1
105.06994	47.2
107.04930	1.3
107.08556	71.6
109.06480	1.4
109.10119	41.2
111.08063	5.8
117.06988	6.6
119.08531	80.4
121.06469	1.4
121.10103	42.7
123.11646	13.2
129.06943	1.5
130.07745	1.0
131.08493	15.8
133.10086	37.2
135.08018	1.7
135.11668	18.0
137.13243	5.2
139.11153	2.1
143.08517	14.6
145.10068	35.2
147.11646	28.5
149.13185	15.8
151.11024	1.3
155.08517	1.4
157.10071	6.5
158.10844	1.7
159.11630	20.3
160.12386	1.4
161.13174	16.3
163.11125	6.8
163.14822	10.7
169.10078	2.3
171.11635	6.1
173.13197	21.2
175.14743	17.2
177.16322	22.0
183.11554	1.6
185.13208	6.2
187.14793	15.4
189.16328	24.2
195.17375	1.9
197.13332	1.4
199.14729	11.3
201.16283	8.5
203.17891	13.1
205.15849	18.4
207.17410	1.7
211.14886	1.4
213.16312	18.3
214.17113	6.2
215.17896	15.9
217.19562	1.5
219.17400	2.1
225.16270	1.4
239.17865	1.1
241.19510	4.8
255.20995	1.8
267.20981	4.2
269.22540	1.5
285.25607	2.4
295.24103	6.2
313.25201	4.5
331.34137	1.1
339.26212	1.5
391.33389	5.5
399.20511	1.1
409.34464	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	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
55.05493	14.5
55.38810	0.8
57.03409	1.2
57.07054	6.1
57.92970	0.8
67.05479	20.8
69.07043	16.3
79.05470	14.0
81.07025	45.6
82.31023	0.9
83.04935	1.4
83.08601	8.5
90.48853	0.8
91.05448	20.5
93.07009	37.6
95.04935	2.3
95.08569	78.9
97.10131	3.6
103.05394	1.0
105.06298	1.3
105.07001	38.8
107.08558	55.5
109.06454	1.2
109.10123	33.6
111.08041	1.1
111.11677	1.1
117.06982	6.7
119.08537	100.0
121.10096	39.8
121.10966	1.0
123.08024	1.4
123.11656	17.1
129.06960	2.3
130.07735	2.1
131.08522	22.1
133.10083	56.6
135.08011	8.1
135.11646	33.1
137.09648	1.6
137.13211	13.6
140.64427	1.0
142.07761	1.5
143.08549	4.3
144.09312	4.6
145.10072	52.6
147.11635	23.0
149.13210	15.9
153.12712	1.0
155.08537	1.3
156.09273	3.8
157.10056	15.0
158.10849	8.1
159.11629	41.4
161.13188	20.7
163.11192	1.5
163.14738	14.2
169.10057	1.6
170.10815	1.8
171.11629	13.2
172.12375	1.2
173.13184	44.9
175.14798	9.8
177.16312	5.7
179.14264	5.0
183.11636	5.4
185.13168	12.0
187.14760	23.4
189.16367	11.3
191.17789	8.1
197.13254	1.2
199.14742	10.4
201.16348	14.2
203.17915	6.4
205.15822	2.2
205.19543	1.3
207.17365	1.6
211.14792	3.9
213.16309	7.4
215.17906	6.3
217.19418	4.0
219.17375	1.6
219.20990	1.5
225.16325	1.5
227.17899	2.0
229.19470	5.7
241.19435	1.9
243.21007	4.5
245.18898	1.3
249.80878	1.0
255.20964	4.0
259.24005	1.8
261.22165	1.1
267.20898	1.3
269.22528	2.0
283.23962	1.1
297.25629	1.2
391.33554	15.6
409.34518	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	409.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96769	2.6
55.05492	24.1
57.07053	6.1
59.33735	2.2
60.93684	2.7
67.05493	24.6
69.07042	33.4
79.05439	17.4
81.07030	52.7
83.08594	14.0
86.09696	4.0
91.05450	31.3
93.07003	49.8
95.04919	3.3
95.08575	81.6
96.55507	2.3
97.10104	5.1
105.06998	61.3
107.08561	81.7
109.10133	46.3
109.65359	2.3
111.08027	9.9
117.06985	14.1
119.08540	99.9
120.41826	2.7
121.10110	43.5
123.11682	24.3
124.68113	2.5
125.09639	5.0
129.06955	3.7
130.80548	2.7
131.08519	45.0
132.36835	2.3
133.10083	86.7
135.11644	52.4
143.08543	16.3
144.09305	9.4
145.10085	100.0
146.10886	3.5
147.11646	63.9
147.47917	2.5
149.13203	16.0
151.11115	10.0
157.10089	16.1
158.10851	5.1
159.11632	48.2
161.13185	36.2
163.14745	21.1
171.11630	15.5
172.12477	2.8
173.13208	51.2
175.14731	18.2
177.16286	4.3
183.11728	3.7
185.13194	15.6
187.14766	62.5
189.16338	66.2
191.17924	4.5
193.92978	2.7
199.14804	14.9
201.16322	79.9
203.17934	29.7
207.17450	30.6
213.16313	12.8
214.17134	3.1
215.17996	11.9
221.18983	5.8
255.21036	3.0
391.33444	17.0
398.70044	2.7
409.34464	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	409.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.05495	14.4
56.96939	1.0
57.07037	7.0
61.63360	0.9
66.56020	1.0
67.05484	21.9
69.07040	21.0
79.05460	16.0
81.07026	50.3
83.08578	9.4
85.06519	1.1
87.89661	1.0
91.05441	14.9
92.09328	1.8
92.63219	1.1
92.68371	1.0
93.07010	44.4
93.39096	1.0
95.04945	4.6
95.08570	100.0
97.10130	2.7
105.07005	38.3
106.31792	1.0
107.08557	63.6
107.16181	1.1
109.06502	2.8
109.10119	36.7
111.08092	1.2
115.05394	1.9
117.06985	8.5
119.08540	88.1
121.10097	40.0
123.08009	1.9
123.11654	22.3
129.07069	1.5
130.07739	1.2
131.08536	21.1
133.10085	50.0
135.08012	10.8
135.11633	39.9
137.13243	17.1
142.07759	2.4
143.08508	9.4
144.09294	6.0
145.10081	60.6
147.11646	24.1
149.13222	17.4
151.11192	1.3
156.09242	2.5
157.10072	14.9
157.90855	1.2
158.10867	5.0
159.11639	47.6
161.09605	1.4
161.13246	20.3
162.46950	1.2
163.14777	13.6
169.10025	2.4
170.10878	1.5
171.11636	12.2
173.13205	56.8
175.14737	12.0
177.16333	5.5
179.14188	6.0
183.11664	2.4
185.13144	11.1
187.14763	24.9
189.12555	1.4
189.16331	13.6
191.17880	7.0
199.14836	10.9
201.16306	20.6
203.14317	2.0
203.17897	7.2
205.19481	2.5
207.17461	1.8
211.14740	2.2
213.16347	6.6
215.17798	4.7
217.19481	2.5
219.20949	1.6
227.17844	1.7
229.19482	5.1
241.19402	2.2
243.21048	2.8
255.20969	1.3
259.24066	2.1
261.21957	2.3
267.20953	1.3
269.22543	1.8
315.26886	1.7
323.97220	1.3
381.34909	1.3
391.33475	15.9
409.34518	49.6
426.03870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.4
55.05503	13.6
57.07059	29.9
58.12930	1.6
67.05486	23.1
69.07042	23.3
71.04969	2.2
79.05475	19.2
81.07027	53.4
83.08585	10.2
91.05469	17.5
93.07010	48.2
95.04933	3.7
95.08575	100.0
96.08942	1.5
97.10205	2.8
105.03390	5.1
105.07006	35.3
107.08569	62.2
108.06810	1.5
109.06448	2.0
109.10128	40.2
117.06992	8.3
119.08544	79.6
121.10107	38.8
123.11684	18.7
128.06155	1.8
129.06966	1.9
131.08531	17.9
133.10097	42.2
135.08017	8.7
135.11647	32.6
137.13211	18.6
142.07784	2.0
143.08545	7.9
144.09291	6.8
145.10081	58.0
147.11649	19.5
149.05952	6.7
149.13213	13.2
156.09265	2.7
157.10057	11.8
158.10852	5.9
159.11630	50.9
161.13237	20.9
162.73297	1.5
163.14790	15.7
170.10864	1.9
171.11626	15.7
173.13217	50.6
173.14743	2.0
175.14729	10.0
177.16258	1.7
179.14281	1.9
183.11684	6.6
185.13232	15.8
187.14772	21.7
189.16342	12.4
191.17839	7.0
199.14835	13.5
201.16331	23.4
203.17932	7.0
205.19493	1.8
207.17326	2.0
211.14813	1.8
213.16336	9.9
215.17892	3.9
224.13693	1.8
227.17984	1.8
229.19414	6.2
243.21021	3.7
261.21936	2.2
308.19522	9.6
356.29736	1.5
374.24118	6.4
391.33447	13.6
392.25238	12.0
409.34476	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	409.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88883	2.6
55.05492	23.8
55.80367	2.3
57.07051	6.0
58.32369	2.5
59.26340	2.3
62.63741	2.3
63.05502	2.9
64.32085	2.5
67.05480	34.1
69.07040	54.9
70.05360	2.6
72.51968	2.5
79.05464	18.2
81.07028	49.7
83.08580	12.2
91.05445	19.5
92.09379	5.5
92.27655	2.9
93.07016	54.0
95.08561	100.0
97.06502	5.2
97.10122	6.4
98.98432	3.4
105.07003	49.3
107.08566	85.0
109.10125	53.0
117.06963	11.9
119.08543	88.4
121.10110	73.3
123.11645	11.7
131.05315	3.3
131.08510	33.7
133.10097	51.6
135.08038	5.2
135.11667	36.8
135.50912	3.1
137.13239	6.6
139.11142	20.3
143.08502	13.1
143.37778	2.8
144.09338	3.0
145.10098	41.0
147.11658	38.5
149.09517	4.9
149.13173	24.2
153.12714	11.6
157.10063	6.7
159.11632	47.6
161.13220	32.1
163.14755	52.8
171.11572	14.4
173.13164	23.2
175.14774	27.8
177.12700	3.2
177.16345	14.9
185.13173	12.7
187.14777	26.3
189.16260	22.6
191.14264	19.5
191.17871	60.0
191.19441	3.6
199.14702	5.5
201.16301	22.1
203.17859	23.2
205.15768	27.1
213.16322	7.2
215.17934	14.1
217.19417	16.0
219.17346	47.7
227.17892	11.3
229.19452	12.5
233.18892	4.5
255.21002	5.1
297.67392	3.2
391.33728	20.6
409.34576	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.0
53.03925	1.3
55.05494	34.6
56.00189	0.9
57.07051	4.6
67.05479	17.6
69.07038	28.4
69.91441	0.9
79.05448	16.5
81.07022	33.9
83.08588	57.0
88.36214	1.1
91.05440	17.8
93.07005	35.0
95.04952	1.7
95.08565	49.6
97.10125	1.5
105.06996	41.5
107.07808	1.6
107.08554	62.5
109.10105	25.3
117.06995	8.0
119.08538	100.0
121.10091	49.1
123.08020	1.3
123.11665	5.4
125.05975	1.1
129.06956	4.8
131.08522	31.4
133.10086	38.5
135.11646	23.8
137.13225	1.7
143.08493	11.4
144.09297	1.8
145.10068	40.8
146.10783	1.5
147.11629	31.8
149.13193	10.3
151.07481	2.0
155.08508	1.2
156.09294	1.5
157.10098	13.4
158.10872	2.0
159.01465	1.3
159.08052	1.5
159.11627	31.7
159.12814	2.1
161.13181	15.0
163.07475	7.0
163.14774	12.3
169.10126	2.5
170.10912	1.3
171.11610	11.8
172.12413	2.7
173.13208	21.0
175.14774	26.9
177.16310	14.0
183.11702	2.4
185.13170	11.7
187.14746	24.0
189.16347	15.9
191.17873	2.6
195.11661	1.4
197.13191	2.6
199.14745	13.5
201.09024	1.5
201.16290	21.2
203.17920	2.1
209.13069	1.9
211.14735	5.4
213.16307	8.4
215.14302	1.7
215.17854	5.4
225.16322	2.3
227.17844	5.8
229.19421	1.7
233.15265	4.2
237.16290	1.8
239.17892	4.1
241.19370	6.2
243.21103	1.2
245.15245	2.3
247.16801	1.8
253.19438	1.5
255.20950	4.2
257.22601	1.5
281.22528	1.5
307.24161	4.2
321.25513	1.8
327.23206	1.7
339.23135	1.8
363.30469	6.3
409.30228	29.0
409.34854	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	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.2
57.07064	7.0
59.04969	1.4
61.38612	1.6
64.29482	1.4
65.03912	2.7
67.05483	28.2
69.03410	7.1
69.07034	20.2
71.23548	1.5
74.01678	1.5
79.05463	28.1
80.62845	1.6
81.07027	53.9
83.04967	2.5
83.08601	2.8
85.06522	3.5
89.18187	2.0
91.05452	42.8
93.07014	64.7
95.04932	30.5
95.08572	80.8
97.06494	3.5
103.05473	3.0
105.06999	100.0
107.08566	50.8
109.06483	10.8
109.10126	25.9
111.08047	3.4
115.05424	2.6
117.06976	18.4
119.07727	3.5
119.08549	71.7
121.06440	12.6
121.10103	33.6
123.08046	7.9
123.11654	8.2
128.06181	2.9
129.06963	14.4
130.07761	6.7
131.08527	30.2
133.06487	3.6
133.10101	29.7
135.08026	9.8
135.11653	16.7
137.09561	6.7
137.13188	3.5
142.07745	11.7
143.08504	22.1
144.09320	6.8
145.10092	45.1
146.92320	1.8
147.08025	10.8
147.11659	31.7
149.09612	7.5
149.13245	16.0
151.07510	10.6
155.08528	12.1
156.09341	3.6
157.10080	18.5
158.10901	2.4
159.08031	2.1
159.11678	22.8
160.50244	1.9
161.09555	7.4
161.13203	14.1
163.14769	11.1
165.09084	9.6
167.08511	1.9
168.09381	2.0
169.10081	6.9
170.10796	1.8
171.11678	13.4
172.08829	2.5
172.12456	1.9
173.09622	2.7
173.13220	13.5
175.11180	11.4
175.14732	14.4
177.16338	10.3
181.10066	2.0
182.10902	2.0
183.11613	6.4
185.13220	8.2
187.14764	28.8
189.16327	14.8
195.11757	2.6
197.13164	3.2
199.10957	1.7
199.14790	8.6
201.12698	2.2
201.16299	8.2
203.14211	2.2
203.17926	9.8
207.11499	2.6
207.13579	1.9
211.14912	3.2
213.16237	12.0
215.17889	9.1
217.19342	2.6
221.15239	19.7
227.18002	2.9
229.15843	2.4
234.16118	4.1
241.19336	3.1
243.20995	2.0
267.20993	2.1
287.20120	2.2
391.33325	3.1
409.27499	12.7
409.34396	31.7
417.65906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35003	0.7
52.53168	0.7
72.94749	0.9
83.95042	0.9
86.18251	0.9
92.09360	2.2
198.07828	1.6
199.08621	5.1
211.08617	9.1
212.09290	1.3
213.10197	6.7
215.11708	1.6
217.09695	4.8
225.06563	1.9
225.10146	11.7
227.08128	2.1
229.09673	4.7
239.08092	14.4
239.11749	6.9
240.08893	5.8
241.09607	10.9
242.10304	1.3
243.07498	2.2
243.11183	12.9
251.11760	1.0
252.08891	1.6
253.09576	15.0
257.09131	6.7
258.09863	1.5
259.10690	6.1
267.07635	5.0
267.11224	9.8
268.08347	15.0
269.12839	1.4
271.10678	49.1
273.12335	2.0
275.10229	4.7
277.11737	7.6
281.09146	2.0
282.10019	1.3
285.09033	2.4
285.12262	9.1
289.11542	2.3
295.10739	9.1
300.11002	1.7
313.11749	14.7
317.11145	4.1
323.10196	13.6
327.13226	2.0
331.12735	1.4
335.12332	4.6
341.11182	29.3
345.14453	4.7
355.12781	6.2
359.12305	2.4
373.13831	22.4
391.14862	28.2
409.15881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45366	0.5
62.38347	0.5
63.00324	0.6
67.05465	1.0
69.07053	0.6
81.07036	1.4
93.07013	1.3
95.08569	1.5
101.05978	0.9
104.34357	0.7
105.07002	1.0
107.08564	0.9
110.79010	0.7
119.08546	1.4
121.10100	1.0
131.08475	0.7
133.10107	0.9
145.10085	1.0
183.11688	1.1
187.14697	0.7
201.12920	0.7
237.16106	0.8
409.25455	100.0
410.00574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
54.47820	1.2
55.05495	19.4
57.07055	7.1
59.04966	1.5
64.33218	1.3
65.03892	1.7
67.05150	2.4
67.05481	31.6
68.96551	1.4
69.03392	7.0
69.07045	18.7
79.05462	28.1
81.07028	63.9
83.04948	5.7
83.08582	7.7
85.99075	1.5
91.05450	36.9
93.07004	60.4
95.04926	37.6
95.08569	79.7
97.06509	7.0
97.10120	2.5
103.05372	2.1
105.06995	100.0
107.04893	1.7
107.08559	50.6
109.06445	11.9
109.10128	28.7
111.08055	9.6
117.06951	18.8
119.08536	76.5
121.06462	8.0
121.10110	32.7
123.08026	11.0
123.11674	8.1
126.82244	1.5
127.17001	1.5
128.06168	2.9
129.06967	9.0
129.34497	1.7
130.07773	2.9
131.08517	32.6
132.09250	1.8
133.10078	39.4
135.08035	9.2
135.11659	18.9
137.09549	2.0
137.13237	1.7
141.06969	3.0
142.07710	14.7
142.08730	1.5
143.08528	25.3
144.09309	6.9
145.06532	1.9
145.10063	38.4
147.08032	9.6
147.11633	34.3
149.09581	5.5
149.13251	10.3
151.07497	7.6
153.07028	1.5
155.08525	7.2
156.09293	9.3
157.10065	22.4
158.10857	2.3
159.08037	3.6
159.11635	25.6
161.09517	2.1
161.13210	14.5
163.14723	11.2
165.09056	10.8
167.08537	3.5
169.10121	12.1
171.11627	11.6
173.13173	13.7
175.11172	7.3
175.14760	13.4
177.09129	1.6
177.16269	11.2
181.10104	3.1
183.11664	8.5
185.13181	6.2
187.11148	2.4
187.14705	21.0
189.12738	2.2
189.16302	11.6
195.11552	2.0
196.12407	2.3
197.13182	2.5
199.14781	6.7
201.12637	3.4
201.16249	11.8
203.14267	2.0
203.17892	9.3
205.15791	2.7
207.11716	1.7
207.13788	2.1
213.16280	13.5
215.17938	7.3
219.13797	2.4
219.17427	1.6
221.13168	2.8
221.15227	18.8
223.14752	2.0
225.16249	2.7
234.16039	2.9
239.17924	1.9
241.19360	2.9
243.21002	3.7
253.19255	1.8
255.21024	6.6
269.22299	1.9
351.30460	2.0
391.26346	1.8
391.33530	3.1
409.27100	16.6
409.34470	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	409.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40704	1.4
50.62755	1.5
55.01860	2.1
56.96548	20.3
57.03417	11.2
61.02902	9.6
69.03403	28.7
69.59399	2.2
70.03764	1.5
70.06575	24.2
71.04962	3.4
72.08127	8.7
72.12055	2.0
73.02879	13.1
79.05446	2.5
81.03396	9.4
83.04951	7.6
84.04491	2.5
84.96012	2.1
85.02882	48.3
85.06516	2.2
87.04435	3.9
89.03902	3.0
89.10748	2.1
91.05387	3.1
95.04937	2.4
97.02851	21.4
98.97537	51.4
99.04425	3.8
104.01297	2.2
107.01790	2.5
107.04938	7.7
109.02879	3.9
111.02029	9.4
111.04419	8.9
112.07591	18.8
116.07059	10.6
116.91856	1.8
116.98582	40.9
117.02065	2.1
117.03323	7.3
118.02795	1.8
119.01838	17.7
119.04907	3.8
120.02514	3.6
124.99039	2.0
127.03860	16.1
128.98524	3.1
129.03055	17.2
131.00124	8.4
131.01830	2.5
133.03380	2.2
134.99609	14.3
135.04356	29.6
137.02954	2.8
138.02620	1.8
138.03612	8.9
139.03862	9.4
141.03020	1.9
143.00114	9.0
143.01851	2.9
145.02786	9.1
145.03606	2.4
145.04926	3.8
146.03217	2.2
146.99603	4.1
147.03093	6.6
147.04370	18.2
149.01167	25.7
149.04463	2.4
153.05374	4.1
155.04579	4.0
156.03578	52.3
156.53802	6.9
157.00935	2.3
157.03391	7.6
158.08038	13.4
158.99596	14.8
159.04929	2.3
161.01120	17.8
161.02879	8.1
162.03546	2.2
163.03833	100.0
164.04123	2.7
165.04227	2.7
167.02214	3.8
169.01726	2.2
169.03323	2.7
170.99612	3.8
173.01143	6.6
173.02835	4.3
175.04460	2.8
177.00641	13.9
179.02231	10.0
187.02783	2.7
187.04373	3.0
189.00601	7.6
189.02316	2.5
189.04024	3.3
189.05945	1.7
190.96254	3.1
191.02209	11.1
191.03877	3.8
192.04611	11.9
193.00124	2.8
195.01648	3.0
196.99269	2.2
197.03249	3.3
203.02188	7.2
214.96310	2.3
216.99965	2.1
217.01909	2.9
219.01828	3.7
221.03304	12.2
221.05283	2.3
223.06635	7.9
227.07603	2.9
228.05666	7.2
231.02811	8.8
236.07399	2.0
237.00443	1.9
237.02751	11.0
237.06113	7.9
239.04329	48.1
240.04654	3.6
257.05325	4.2
267.03757	2.8
281.05423	2.7
288.06696	3.6
293.05573	2.5
297.07272	4.0
309.05252	3.2
311.06403	7.7
318.08850	8.8
319.00790	2.3
367.05460	7.8
395.08661	4.2
409.05154	48.4
409.10184	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	408.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01853	2.5
55.05495	25.2
56.05018	1.4
57.03416	9.6
57.07044	5.7
58.06576	2.8
59.04984	1.4
60.04520	1.4
61.02896	5.3
67.05482	30.8
68.05783	1.0
69.03404	18.2
69.07041	30.4
70.06563	18.2
71.04966	10.2
73.02885	1.6
74.06035	1.3
79.05470	6.1
81.03374	9.2
81.07024	48.0
82.07361	1.7
83.04942	1.4
83.08593	17.1
84.08118	2.1
85.02876	69.2
85.06513	6.6
86.06024	1.6
87.04421	2.0
91.05446	2.3
93.06993	12.3
95.04916	1.6
95.08569	59.1
97.02856	13.2
97.06493	6.6
97.10136	7.0
99.04408	11.9
100.04747	2.1
105.06990	6.1
107.04919	4.8
107.08572	12.2
108.05261	1.2
108.08845	1.8
108.73170	1.0
109.02826	6.6
109.06493	10.1
109.10120	35.3
110.06800	2.2
110.10477	1.0
111.08083	1.0
111.11698	1.6
113.09625	1.1
115.07504	1.4
119.08557	9.5
121.10122	7.8
123.08028	19.8
123.11652	12.5
124.08353	13.7
124.73134	1.0
127.03876	10.8
128.14322	1.3
131.08531	1.2
133.10092	12.9
134.10439	1.9
135.11627	13.7
137.05891	1.5
137.13206	2.6
139.11075	1.2
145.04950	5.6
145.10042	1.6
147.11658	1.6
149.13219	6.6
163.11235	1.2
163.14799	2.3
167.14241	4.8
175.14714	14.2
183.13698	1.3
184.13956	1.3
191.10670	1.7
193.15820	14.0
193.19481	1.8
209.15334	1.5
210.22105	100.0
211.13020	1.2
211.16879	31.3
227.12698	4.7
227.16376	6.1
228.16670	11.1
228.23145	44.4
229.17896	9.4
233.38737	1.3
246.24182	80.0
252.23160	2.6
270.24261	2.0
288.25259	2.4
354.26230	1.7
372.27206	1.9
390.28198	1.9
408.29416	46.1
409.18292	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	408.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81105	1.3
55.01852	2.0
55.05492	16.2
57.03408	3.0
57.07043	3.7
59.04973	1.6
60.18010	1.4
60.85500	1.3
61.02881	1.9
66.59777	1.2
67.05225	1.2
67.05486	22.9
69.03394	10.6
69.06675	3.0
69.07039	64.1
70.06580	1.8
71.04657	1.4
71.04970	19.5
71.26947	1.6
73.02892	2.1
78.35716	1.5
79.05455	14.1
79.39929	1.5
80.61176	1.3
81.03381	7.1
81.07026	31.9
83.04962	2.7
83.08595	42.3
85.02873	16.7
85.06512	16.9
86.09676	2.6
91.05437	13.1
93.07001	37.2
95.04940	12.8
95.08570	69.6
96.26067	1.8
97.02817	3.0
97.06487	25.2
99.04420	14.1
99.08041	5.6
105.06984	22.5
107.04909	2.1
107.08554	42.5
109.06498	24.4
109.09408	2.9
109.10122	76.9
109.10869	2.5
110.81264	1.5
111.08072	11.2
111.11669	7.7
115.07508	9.5
116.12764	1.4
117.06940	1.8
119.08535	49.4
120.08076	3.3
121.06413	6.6
121.10087	28.4
123.08033	15.7
123.11681	16.2
125.09499	2.7
127.03825	2.7
127.07442	2.2
127.11124	5.6
131.08481	7.0
133.10089	87.5
135.11642	58.1
137.09593	11.7
139.11092	2.0
141.06937	9.4
141.09026	2.6
142.07256	7.6
145.10031	1.9
147.11670	12.5
149.09589	1.6
149.13210	9.1
151.11127	3.5
153.12692	2.7
155.10577	3.9
161.05940	6.6
165.12717	7.0
165.16333	3.1
167.06956	21.5
169.06471	2.3
175.11243	1.9
175.14755	82.9
177.16336	3.8
183.79764	1.5
189.09030	2.9
191.14293	1.7
193.12167	6.5
193.15811	100.0
201.03624	1.7
207.10025	2.2
210.15768	1.9
211.13336	11.9
211.16858	46.9
215.06924	23.9
216.07300	43.6
229.14297	1.8
245.61916	1.9
246.67126	1.7
273.06854	1.7
273.09549	2.4
355.20877	1.9
409.18085	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	8.8
57.03406	1.7
57.07046	2.1
57.32866	0.8
59.04968	1.2
61.02893	1.6
67.05472	10.3
67.36015	0.8
67.39070	0.8
69.03399	5.8
69.07040	27.1
71.04966	11.9
76.29269	0.9
79.05460	5.9
81.03400	1.7
81.07022	21.8
83.04949	1.3
83.08577	13.3
85.02865	15.3
85.06509	6.4
91.05434	5.1
92.09356	1.1
93.07003	21.7
95.04922	4.3
95.08563	37.8
95.65968	0.9
97.02861	5.5
97.06488	17.7
97.10123	1.5
99.04398	6.8
99.08046	3.6
105.07022	11.4
107.04916	6.9
107.08561	29.0
109.06484	12.0
109.10120	43.0
111.08034	5.5
111.11671	2.4
113.09591	1.5
115.07522	7.4
119.08531	29.7
121.10091	13.7
123.08053	9.0
123.11662	19.3
125.09599	8.2
127.07454	1.2
127.11127	4.3
133.10077	50.4
135.11638	52.3
137.09549	8.8
141.09052	1.1
145.10121	1.6
147.11641	10.6
149.09557	1.0
149.13200	17.0
151.11130	1.2
153.12717	6.6
155.10567	1.9
165.12685	2.3
175.14767	64.5
177.16348	4.3
193.15800	50.6
195.74002	0.9
211.16858	100.0
229.14380	8.4
257.04306	3.8
409.09055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36193	0.5
53.03935	0.8
55.01851	1.3
55.05289	0.5
55.05496	6.8
57.03419	1.6
57.07049	2.3
61.02897	1.0
61.03907	0.5
67.05489	6.4
69.03406	4.7
69.07047	17.3
71.04966	42.7
73.25348	0.5
79.05451	1.2
81.03383	3.1
81.07027	10.1
83.04948	0.8
83.07245	0.6
83.08591	9.7
85.02879	12.4
85.06512	4.6
86.09697	0.9
91.05468	5.7
93.07013	11.0
95.04922	2.6
95.08568	23.7
97.02872	3.2
97.06485	7.2
97.10102	1.2
99.04421	98.0
99.08076	1.2
105.06992	6.0
107.04908	1.1
107.07890	0.9
107.08572	16.9
109.06474	2.8
109.10129	22.1
111.04397	3.2
111.08043	1.4
111.11671	1.2
113.09612	11.2
115.07528	6.6
119.04901	1.1
119.08553	9.9
120.08501	0.7
121.10103	6.9
123.08036	3.8
123.11633	7.8
125.09593	4.1
127.03896	0.9
127.11128	0.7
129.05452	3.9
131.08533	1.2
133.10094	15.3
135.11647	44.9
137.05969	6.6
137.09549	3.5
138.06288	3.5
139.11139	1.2
141.09045	0.8
141.12686	5.4
143.10538	0.7
145.05002	0.7
147.11649	2.7
149.13208	3.3
151.07535	1.2
151.11145	2.7
151.14781	5.8
152.07817	0.6
153.12718	3.2
155.07018	3.1
161.05901	0.7
165.12698	0.9
165.16280	1.0
169.12212	2.9
169.15785	0.8
175.14775	17.7
176.12082	0.7
181.08652	0.7
193.12183	1.5
193.15843	15.9
210.22121	2.9
211.13289	6.8
211.16869	100.0
229.04945	1.1
229.08525	1.3
229.14275	2.9
246.24245	1.3
257.04376	7.7
276.60437	0.6
287.05280	0.7
408.28815	0.8
409.08978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
55.05497	10.9
57.03406	3.4
57.07058	1.8
59.04977	2.2
61.02907	2.5
67.05473	12.4
69.03395	6.5
69.07040	25.5
70.06559	1.7
71.04957	16.5
79.05453	7.2
80.52583	1.4
81.03359	2.5
81.07012	28.4
83.08592	13.7
85.02869	31.1
85.06487	2.7
91.05430	3.1
92.09340	1.4
93.07007	23.1
95.04897	2.5
95.08568	51.7
97.02832	7.9
97.06489	24.5
97.10146	2.6
99.00040	1.5
99.04410	8.6
99.08009	2.0
105.06990	12.8
107.08556	32.1
108.68662	1.2
109.02831	1.9
109.06483	14.3
109.10124	52.4
111.08057	1.8
111.11722	1.5
115.07534	12.1
119.07735	2.3
119.08539	31.2
121.10105	14.5
123.08023	13.4
123.11642	20.3
125.09582	1.6
127.03873	2.7
127.11144	3.0
130.75722	1.6
133.10080	62.7
135.10674	3.0
135.11644	52.7
137.09581	8.8
137.13271	2.5
139.11128	1.8
145.04889	1.9
147.11641	6.9
149.13211	19.0
153.12714	6.7
163.14699	3.5
165.12738	1.7
167.14319	2.0
175.14755	76.5
177.16286	3.1
181.15762	2.1
193.15811	68.2
210.22064	20.7
211.16859	100.0
228.23111	9.5
229.18010	2.9
246.24219	15.4
275.26422	1.5
277.98740	1.5
370.26221	1.6
381.12350	1.5
408.29291	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	408.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95123	0.9
55.01854	1.7
55.05494	8.2
57.03410	6.0
57.07056	1.7
67.05489	13.4
69.03401	10.2
69.07050	17.5
70.06567	2.7
71.04967	16.2
79.05466	5.0
81.03387	1.7
81.07028	21.6
83.04940	1.8
83.08598	5.5
85.02886	16.1
85.06513	20.5
86.05939	1.3
87.53830	1.0
91.05461	7.1
92.05763	1.5
93.07020	18.1
95.04926	1.3
95.08579	24.6
97.02852	5.3
97.06503	2.0
97.10143	1.6
99.04424	2.2
99.08042	9.3
105.06969	9.0
107.08559	26.3
109.10127	41.5
113.06003	2.2
119.04901	2.7
119.08543	13.6
121.06490	1.3
121.10084	7.9
123.08028	1.3
123.11663	9.7
125.09608	1.7
127.03912	2.5
127.11196	2.7
133.10072	10.5
135.11655	53.4
137.05977	12.7
137.09537	1.5
138.06261	8.9
145.04932	1.5
145.10172	1.6
147.11670	6.5
149.13225	11.3
151.07475	4.5
151.14763	2.4
152.07838	1.3
153.12698	29.3
155.24854	1.2
161.05968	1.8
165.12627	2.0
167.07127	1.4
167.14265	1.6
175.14795	19.6
181.08472	1.3
193.12236	4.0
193.15817	8.2
210.22133	25.0
211.16867	100.0
228.23138	12.3
229.14258	9.2
246.24174	24.2
282.05035	1.3
326.05011	1.1
408.29385	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	408.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21835	0.9
53.03913	1.1
54.81655	1.6
55.05485	8.4
56.97900	1.4
57.07052	2.1
61.02886	1.4
67.05479	12.3
69.03403	4.7
69.07054	10.9
71.04977	2.5
71.46409	1.3
79.05453	6.5
81.03390	2.1
81.07032	14.4
83.04945	2.8
83.08597	2.8
85.02876	19.9
85.06522	5.9
91.05421	7.1
93.07014	25.9
95.04926	1.3
95.08575	26.3
97.02832	6.3
97.06457	1.5
97.10067	1.4
99.08046	45.9
105.06988	10.6
107.08561	34.7
109.06485	2.5
109.10120	48.6
119.07731	2.2
119.08539	38.5
121.10094	16.3
123.08038	10.1
123.11658	6.4
125.09612	2.9
131.08490	1.5
131.71031	1.3
133.10077	100.0
135.10686	2.7
135.11652	63.7
137.09586	22.6
145.10057	1.9
147.11650	5.0
149.13174	5.6
151.11156	1.6
151.14735	1.5
175.14761	65.2
177.16347	9.8
193.15814	54.1
211.16901	20.0
242.09929	1.8
266.09937	1.5
270.09372	1.9
280.07797	1.4
284.43948	1.5
298.08813	2.2
390.13464	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	408.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40806	0.9
53.03911	1.0
55.05486	10.3
57.03407	1.6
57.07052	2.5
58.84594	1.1
59.04972	1.3
67.05484	12.7
69.03387	6.6
69.07049	12.0
72.56683	1.4
79.05441	6.8
81.03400	1.2
81.07021	14.4
83.04961	5.0
83.08612	4.6
85.02874	16.0
85.06528	12.4
85.06943	1.4
91.05445	6.3
93.07014	23.4
95.04970	2.0
95.08562	26.9
95.23322	1.2
97.02830	4.1
99.07412	2.5
99.08055	73.9
105.06989	9.2
107.08563	32.1
109.06489	2.7
109.09399	2.4
109.10112	47.8
113.31003	1.2
119.08524	32.5
121.10094	20.0
123.08018	8.2
123.11671	7.3
125.09608	3.0
127.03854	2.0
133.10085	100.0
135.11639	62.3
137.09581	18.9
147.11691	2.1
149.13202	3.0
151.11130	2.5
175.14758	57.1
177.16325	6.4
193.15811	77.2
211.16812	17.7
267.46442	1.3
288.60379	1.3
292.29767	1.2
313.07901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.05490	11.8
57.03413	2.4
57.07046	1.5
59.04964	2.3
61.02901	3.1
65.74005	1.5
67.05469	8.8
69.03391	7.4
69.07042	42.6
71.04966	15.7
79.05465	11.7
81.03391	3.5
81.07018	20.5
83.04954	3.1
83.08578	8.2
84.04464	2.8
85.02873	25.2
85.06499	3.4
91.05451	19.3
93.07006	44.1
95.04922	8.3
95.08572	25.9
95.29395	1.4
97.02855	6.4
97.06497	2.1
99.04376	1.9
99.08056	19.7
105.07002	28.4
107.04919	55.3
107.08562	80.2
109.02863	1.8
109.06489	2.2
109.10133	17.5
111.04388	1.8
111.08027	3.4
113.09628	2.1
119.04898	6.3
119.08536	51.3
121.06427	2.4
121.10095	63.9
121.47023	1.8
123.08039	6.5
123.11674	17.5
124.07544	27.2
127.03869	3.2
129.36714	1.5
131.08514	7.0
132.97067	1.5
133.06438	1.9
133.10086	94.3
135.08026	2.1
135.11658	31.4
137.09590	13.0
145.04904	1.9
145.10040	2.5
147.08046	5.9
147.11656	8.3
149.09612	2.0
149.13216	100.0
150.05444	2.0
151.11127	3.0
151.19148	1.4
153.09154	1.6
161.09570	8.7
162.02109	3.1
165.09053	2.5
167.14259	1.7
169.08580	2.6
175.11185	6.3
175.14769	81.8
177.00404	1.5
179.10590	13.0
179.20285	1.7
193.08565	2.3
193.12206	6.9
193.15811	42.8
210.11862	2.0
211.09599	1.7
211.13263	8.9
211.16862	49.7
216.08766	1.5
228.16562	1.6
229.14285	2.2
267.15793	1.8
301.06708	1.7
368.57391	1.8
373.22141	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.0
55.05500	10.3
56.96554	1.1
57.03411	5.2
57.07050	1.6
61.02911	2.2
67.05482	11.1
69.03412	8.9
69.07049	12.0
71.04969	5.3
73.02879	1.2
79.05471	8.1
81.03396	2.4
81.07023	18.8
83.04963	4.5
83.08573	2.4
85.02882	19.7
85.06508	9.0
87.56771	0.8
89.25006	1.0
91.05441	9.7
93.07005	31.0
95.04935	5.1
95.08572	29.0
97.02873	6.9
97.06498	2.1
97.10133	1.3
99.04440	1.8
99.08059	62.7
104.83752	1.2
105.06980	12.3
106.02893	5.8
107.04969	2.4
107.08562	46.5
109.02811	3.4
109.06499	4.5
109.10126	45.6
111.08034	2.3
119.08548	29.9
121.10111	25.3
123.08019	10.0
123.11678	10.0
124.03906	7.7
125.09589	5.8
127.03901	1.2
131.08537	6.3
133.04929	1.4
133.10086	100.0
135.08034	1.7
135.11646	84.0
137.09572	23.2
137.13245	1.8
145.04935	1.8
147.11646	7.0
149.05969	1.2
149.09595	1.0
149.13226	4.2
151.11136	5.1
153.12701	1.6
157.10091	1.6
165.12688	1.6
167.06972	1.8
168.07346	1.1
175.11125	5.0
175.14766	39.3
177.16333	11.2
193.12189	4.9
193.15819	72.7
211.13225	12.1
211.16833	18.0
228.10059	6.3
229.14365	1.9
229.17886	2.2
246.11302	1.2
291.29053	1.0
363.98517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01850	3.6
55.05490	5.2
56.96548	3.0
57.03408	4.3
59.04985	0.8
61.02888	1.6
64.32763	0.7
67.05477	10.6
68.75239	0.7
69.03410	6.9
69.07043	11.4
69.92481	0.6
71.04951	4.2
73.02897	1.2
78.82212	0.7
79.05443	6.6
81.03374	3.2
81.07028	26.2
83.04948	5.0
83.08584	4.3
85.02875	14.6
85.06500	3.5
87.04446	1.1
91.05443	19.7
92.05795	2.7
93.07003	10.2
93.43874	0.7
95.04922	3.7
95.08578	10.3
97.02856	7.1
97.06494	10.1
98.97523	5.1
99.04413	4.5
99.08079	1.4
105.07000	18.2
107.08559	15.5
109.02831	1.1
109.06447	6.2
109.10111	12.2
110.97555	0.9
111.04401	0.8
113.05968	1.5
113.09541	1.1
115.07571	1.0
116.98561	1.4
117.06907	1.4
117.73878	0.7
118.67900	0.7
119.04958	0.9
119.08532	19.5
121.06445	0.9
121.10099	13.8
123.04391	1.0
123.08010	3.3
123.11658	17.0
125.09569	1.7
127.03854	3.1
127.07547	1.5
128.98569	1.3
129.05423	1.0
129.06952	4.6
131.04884	1.0
131.08514	2.6
133.06490	1.0
133.10078	14.2
134.99614	0.8
135.11647	12.3
137.05946	1.6
137.09572	1.8
137.13197	0.8
145.01646	0.9
145.10095	3.4
146.99612	1.1
147.11649	53.0
149.09558	3.0
149.13197	2.7
151.11110	1.1
153.12666	1.0
153.29433	0.9
154.32689	0.8
157.10074	11.0
161.05927	0.9
163.11134	1.3
165.12698	16.4
166.12973	0.9
167.06934	5.8
175.11111	10.5
175.14752	11.7
176.41516	0.8
177.00438	0.9
181.04970	0.8
183.13844	1.0
193.12141	4.2
193.15849	8.9
211.13264	5.6
211.16856	17.7
217.12163	0.7
219.01785	0.7
227.02199	1.5
229.04825	2.9
229.14265	100.0
237.02652	1.7
257.04337	6.8
264.57288	0.7
322.53436	0.7
409.09033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.5
55.01854	5.9
55.05488	7.2
57.03411	4.4
58.61654	0.6
59.04967	1.0
61.02894	4.7
63.69286	0.6
67.05120	0.8
67.05479	19.9
69.03406	9.3
69.07037	14.3
71.04968	2.7
73.02881	1.6
74.09753	0.6
79.05460	8.4
81.03383	6.4
81.07025	71.8
83.04946	7.0
83.08592	7.5
85.02877	30.2
85.06506	5.3
89.09825	0.6
91.03929	1.4
91.05439	15.7
93.07013	9.8
95.04961	1.1
95.08569	13.0
97.02843	10.4
97.06496	5.2
99.04400	3.0
99.08063	1.6
101.05974	1.0
105.06992	32.8
106.64700	0.7
107.08556	13.2
109.02811	2.9
109.06467	5.8
109.10149	0.6
111.08031	0.9
113.05996	1.0
119.08533	28.6
121.10097	27.8
123.08032	5.9
123.11658	41.8
127.03846	4.3
127.07523	4.6
133.10097	3.4
135.11649	1.1
137.13187	3.4
141.09105	0.8
145.04927	3.6
147.11644	100.0
157.10069	2.6
165.12694	48.9
175.11128	1.2
180.08592	3.8
183.13745	14.0
193.12148	5.1
211.13199	6.1
229.14265	98.9
230.14586	0.7
240.29068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.6
69.03394	0.5
70.06561	0.4
73.02857	0.3
78.04647	0.5
79.05466	0.5
79.42602	0.3
81.03376	0.6
85.02881	3.1
89.03859	1.6
89.66254	0.3
90.24734	0.3
95.04930	0.3
97.02847	0.6
98.97535	0.7
105.07017	0.6
107.04914	4.1
108.05246	0.4
117.03345	0.4
121.06467	0.5
123.04396	3.1
124.05160	1.5
133.06451	0.7
135.04372	2.2
137.05913	0.8
145.02779	0.5
145.06554	0.3
149.05853	0.5
151.03874	0.8
152.04663	1.3
161.01079	0.4
161.05923	1.3
162.96817	0.3
163.03844	5.2
163.07430	0.5
167.06975	100.0
168.07405	0.4
173.05959	0.4
178.76837	0.3
181.08501	0.5
193.08583	3.0
195.10065	0.7
211.09601	9.0
229.10635	1.5
281.06866	0.4
408.15417	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	408.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
53.28217	1.2
67.05471	1.4
69.03352	1.1
71.04964	2.4
76.42677	1.2
79.05459	6.8
81.07010	2.7
83.04942	2.0
85.02891	1.8
86.09687	1.4
91.05447	19.0
93.07005	13.1
95.04918	6.6
98.97538	6.5
103.05435	11.3
105.07005	10.5
106.04121	1.7
107.04915	25.3
109.06524	2.3
111.04389	2.0
115.05441	1.5
116.98556	3.2
117.06982	5.0
118.61008	1.3
119.04893	5.2
121.06457	18.2
122.03605	1.3
123.04411	11.2
124.05168	5.8
125.05975	2.0
128.06218	5.7
129.06972	22.5
131.04881	9.4
131.08501	10.4
133.02747	2.3
133.06432	6.0
135.04424	1.7
135.08011	5.4
137.05942	15.2
140.04709	1.5
145.06413	7.5
147.04294	1.6
148.05156	3.2
149.05939	7.1
150.06746	1.4
151.03885	1.6
151.07518	16.4
152.04648	2.3
153.05385	9.0
157.06425	21.2
159.08061	2.1
160.05144	2.0
161.05930	35.0
161.09517	10.9
163.07471	17.6
165.05484	1.6
165.06929	3.0
165.09081	8.1
166.06258	10.4
167.06978	84.9
167.08365	4.1
174.06674	10.6
175.07483	13.5
177.00710	2.1
177.06828	1.2
177.09036	8.6
179.07011	1.9
179.08492	6.6
181.04997	1.6
181.06384	2.6
181.06728	3.2
181.08525	73.0
182.07233	7.2
189.09039	56.3
191.06995	1.5
191.08580	1.9
191.10487	1.7
193.06454	2.9
193.08414	2.0
194.07275	2.6
195.07993	8.9
197.09564	7.8
207.08093	3.0
207.10100	8.0
208.08788	3.0
209.09546	2.4
210.06645	3.2
211.07466	2.2
211.11108	2.1
211.16882	6.1
211.99698	1.4
219.07970	4.7
219.10074	5.4
221.05792	2.1
223.07428	6.9
223.11287	4.5
225.08983	16.5
227.07042	5.3
229.12154	2.0
235.07521	2.9
236.08211	2.2
237.08945	2.6
239.07036	2.8
240.07721	2.5
246.11186	2.7
247.07440	2.0
251.06953	1.5
251.10645	4.5
253.08424	13.2
254.09213	1.8
255.06203	1.7
255.10069	4.8
257.11591	16.3
265.08636	1.6
268.07104	1.7
269.07941	2.0
270.08896	3.1
279.10040	3.1
283.09534	12.4
283.12656	12.6
285.07953	2.3
285.11099	23.0
296.10522	2.0
297.11191	2.2
299.08844	1.5
302.11450	3.3
311.12762	5.4
315.12231	13.6
317.13739	23.6
331.15195	2.9
343.15271	28.8
357.37302	1.5
361.16339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44595	0.2
55.01847	0.3
57.03417	0.3
61.02896	0.5
61.30201	0.2
62.14331	0.2
64.32421	0.2
65.72803	0.2
65.74971	0.2
69.03396	0.9
73.02859	0.2
73.83296	0.2
78.04680	0.3
79.05446	0.5
80.22408	0.2
80.36584	0.2
81.03384	0.8
82.32910	0.2
85.02881	4.7
91.05436	0.5
92.04166	0.2
93.07002	1.0
95.04951	0.3
97.02845	1.0
103.05375	0.3
105.06982	0.4
106.04108	0.8
107.04916	1.1
111.30308	0.2
115.51396	0.2
118.43903	0.2
121.06456	1.8
123.04380	2.4
123.63279	0.2
124.05173	0.5
133.06406	0.8
149.05939	2.7
151.03828	0.3
152.04626	1.1
161.05939	0.8
162.64450	0.2
166.06253	0.3
167.06976	100.0
168.07301	0.8
181.08527	2.4
182.87624	0.2
193.08553	2.7
211.09593	7.5
229.10632	7.3
354.13348	0.2
399.27484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05497	50.1
56.05017	1.3
58.99567	19.9
61.01130	1.5
67.05474	1.8
69.07046	3.2
71.02856	0.7
71.04963	3.6
73.01128	3.2
76.02204	12.2
76.03981	6.4
79.05462	4.0
81.07040	7.8
83.06084	3.4
83.08593	62.4
84.04482	41.8
85.01105	1.7
85.02901	3.6
86.99020	21.1
88.02200	4.5
91.05451	6.2
93.07005	3.3
95.04909	1.3
95.08567	1.9
96.08117	1.3
97.02936	1.0
98.40243	0.9
99.02651	1.2
99.04430	1.0
99.05533	3.2
99.08070	0.8
101.04309	0.8
101.09639	1.4
102.05539	0.9
105.00069	1.0
105.07020	4.3
107.04891	0.8
107.08578	5.3
109.02893	0.9
109.06487	0.8
109.10166	1.4
113.04166	0.9
115.05769	1.3
116.01644	96.1
118.01227	1.1
119.08553	5.0
121.10110	1.7
121.58920	0.8
123.08038	1.0
124.07555	4.6
129.06540	4.2
129.07344	3.8
130.04967	5.6
131.08498	1.2
133.10106	14.0
135.11656	1.8
141.07262	1.8
142.03220	7.9
144.01111	38.4
147.04337	0.9
147.08012	5.0
147.11626	1.7
159.08340	38.8
162.02151	100.0
165.09062	6.1
167.07027	1.6
168.07283	0.9
175.11165	1.7
175.14809	4.0
176.11002	3.9
193.12175	4.7
211.09641	1.9
211.13292	4.5
219.50938	0.9
239.07762	1.1
262.10999	38.8
263.61673	0.9
271.10727	0.9
279.13651	23.6
285.91113	0.7
295.10886	0.8
326.97021	0.9
333.14624	9.0
341.11194	0.9
391.14603	1.3
408.17651	8.2
409.15869	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	408.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52313	0.1
51.72109	0.1
53.03918	0.7
55.05487	1.0
57.07034	0.2
61.02909	0.3
67.05472	0.8
69.03403	0.3
69.07034	0.8
71.04967	0.2
77.84475	0.1
79.05002	0.2
79.05461	5.1
79.65331	0.1
81.03373	0.2
81.07033	1.7
83.08585	0.7
85.02885	2.6
85.06492	0.2
91.05428	0.2
93.07014	0.5
95.04934	1.7
95.08571	5.0
97.02878	0.5
97.10141	0.2
103.03920	0.2
105.04491	0.6
107.04921	100.0
108.05263	0.3
109.06458	0.3
109.10117	2.7
119.08521	0.2
121.10088	0.3
123.08041	0.2
123.11660	0.8
141.09053	0.3
147.11642	0.2
149.13203	0.8
149.79019	0.1
151.14761	0.3
165.16347	3.6
167.14267	0.3
173.53796	0.1
175.14772	0.3
185.15315	1.0
193.15871	1.1
211.16878	2.5
229.17952	0.3
236.43185	0.2
255.06271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49818	0.1
57.03413	0.1
65.03918	0.9
69.03407	0.2
75.19516	0.1
85.02888	0.6
86.73544	0.1
91.05449	100.0
92.05781	0.5
93.51951	0.1
95.08594	0.1
97.02873	0.4
107.08587	0.2
121.02872	0.1
133.02870	0.2
133.46716	0.1
133.72398	0.1
140.50713	0.1
211.07355	0.1
229.08614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50333	1.1
53.03931	1.4
55.05250	2.5
55.05497	53.9
56.05030	1.4
57.03419	1.1
58.99567	28.1
60.25805	1.3
61.01125	1.8
62.70758	1.2
66.12843	1.0
67.05470	2.1
69.03385	2.7
69.07028	2.4
69.68250	1.0
71.04972	2.0
73.01116	1.8
76.02191	11.3
76.03970	5.8
77.78223	1.1
78.33621	1.1
79.05455	6.2
81.07034	9.7
83.06050	1.4
83.08593	65.7
84.04478	38.5
85.01153	1.3
85.02866	6.9
86.99026	22.6
88.02174	4.9
91.05439	6.1
93.07011	6.4
94.06551	1.4
95.04957	1.7
95.08558	6.5
96.08121	2.3
101.09602	1.3
102.05473	1.5
102.75813	1.3
103.02107	1.5
105.06982	7.6
107.08550	9.1
109.10104	4.8
116.01640	100.0
117.64023	1.3
119.08540	17.0
121.06482	1.8
121.10101	6.1
123.08065	2.4
124.07561	5.9
129.06506	2.0
129.07346	2.2
130.04950	6.0
131.08501	4.6
133.10089	21.4
135.07994	1.3
135.11629	7.2
135.95961	1.2
137.05943	2.1
142.03165	7.1
144.00047	2.3
144.01106	42.0
147.07999	22.1
147.11652	5.6
149.13255	2.4
159.08330	39.2
162.02142	97.1
163.40398	1.3
165.09062	22.4
175.11099	1.8
175.14729	16.2
176.10913	5.5
193.08492	9.2
193.12167	6.4
193.15800	2.2
211.09570	10.4
211.13235	5.8
236.20674	1.2
236.23180	1.1
262.10968	36.1
279.13678	17.0
333.14578	7.4
405.82327	1.2
408.18045	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	408.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76805	0.1
54.80548	0.1
56.57387	0.1
56.75010	0.1
57.03410	0.3
64.36040	0.1
69.03388	0.7
69.07018	0.2
69.41239	0.1
71.04991	0.2
73.15535	0.1
81.03370	0.2
81.07030	0.2
83.04958	0.1
84.75873	0.1
85.02863	0.6
85.66283	0.1
91.05431	0.3
93.06992	0.2
95.04950	0.1
95.08566	0.1
97.02850	0.1
97.06512	0.1
102.94070	0.1
105.07004	0.2
108.08064	0.2
109.02828	0.2
109.08859	0.1
114.34572	0.1
117.06931	0.2
121.10042	0.1
122.05881	0.2
123.04398	1.6
124.07565	0.7
129.06891	0.2
131.04866	0.2
131.08530	0.1
136.03874	0.6
136.07527	0.5
138.09100	0.6
144.08017	0.2
145.06448	0.2
145.10095	0.9
153.12656	0.2
154.06462	0.2
155.08475	1.0
157.08827	0.2
158.07202	0.2
161.05879	0.3
162.09068	0.2
165.06874	0.2
167.06987	0.8
172.07529	0.2
172.11130	1.0
173.09563	0.6
174.09097	0.2
176.10687	0.2
182.05939	0.3
182.09506	0.2
183.07990	0.6
184.07457	0.2
184.62581	0.2
185.08299	0.6
188.06946	0.5
189.07797	2.2
190.08575	0.5
190.12198	0.5
199.06184	0.2
200.07021	1.0
200.10622	2.8
201.09067	0.7
203.09282	0.3
213.07832	0.6
214.08559	0.3
216.06512	0.5
217.07292	1.1
218.08087	2.9
218.11697	0.7
228.10138	1.7
229.08502	0.8
230.07956	0.6
231.08855	2.0
246.11162	100.0
247.11485	1.3
408.16418	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	408.047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98272	0.4
56.96547	9.7
62.79392	0.5
69.03398	1.2
80.15722	0.6
81.03381	0.9
83.37435	0.5
85.02873	1.1
88.81175	0.5
97.02836	6.6
98.97540	17.0
109.02867	0.7
113.03464	0.8
116.98572	18.7
119.01877	8.8
120.01961	0.9
124.41189	0.6
126.91084	0.7
134.99603	14.6
136.00058	0.7
137.02913	3.8
146.99582	0.8
153.00705	4.5
154.89128	0.5
156.64124	0.6
177.00891	20.0
177.79971	0.7
178.00975	2.9
179.00658	3.1
182.99855	0.5
195.01982	0.6
201.00761	0.7
217.03993	4.2
219.01929	28.4
220.02066	2.9
221.01756	3.3
225.00797	1.1
233.97379	0.8
243.01854	5.1
248.68256	0.6
256.96109	0.5
258.99744	2.6
259.99902	0.8
261.02954	100.0
262.03113	11.8
262.99579	0.9
263.02771	10.8
264.02914	2.2
272.95193	0.9
274.97397	3.6
277.00778	6.6
278.01053	1.2
279.00516	2.4
281.00543	0.7
282.99881	0.8
284.00058	0.6
284.04486	1.1
284.99683	2.4
286.99448	3.6
288.92053	2.2
292.98410	4.3
296.94952	0.7
301.00989	4.8
302.01059	2.6
303.00720	5.1
304.00906	1.1
305.00555	4.9
306.93045	1.1
323.93546	0.7
324.94684	0.8
342.95905	0.9
354.93448	0.8
356.93692	0.9
372.95813	2.7
373.45978	2.5
373.95654	2.2
374.94434	0.8
375.93521	0.7
381.96942	0.9
382.96304	1.1
384.96167	2.1
385.03046	6.8
396.94440	0.9
398.93985	1.1
400.97708	1.1
402.97247	3.7
403.04037	10.0
404.04111	0.7
430.92703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	14.2
57.07047	8.3
67.05477	25.6
69.07042	48.4
71.08604	2.0
79.05456	17.2
81.07026	62.1
83.08591	13.3
86.20514	1.3
86.21077	1.3
91.05434	15.2
93.07006	40.6
95.04932	1.5
95.08569	82.4
97.10139	6.5
105.06995	37.0
107.08557	49.4
109.10124	44.1
111.11716	2.6
111.81750	1.3
117.06989	7.4
119.07732	2.8
119.08538	53.7
119.83890	1.2
121.10102	39.5
123.11661	20.7
128.19466	1.5
129.06996	3.1
131.08510	16.2
131.14177	1.3
133.10077	34.6
135.11632	20.7
137.13200	11.8
142.37392	1.5
143.08557	10.2
145.10072	31.0
147.11639	24.4
149.13214	17.0
157.10066	14.4
159.11639	24.3
161.13176	32.6
161.14378	1.6
163.14757	12.7
169.10135	1.8
171.11624	12.9
172.12434	2.0
173.13174	17.2
175.14751	33.0
175.16156	1.7
177.16315	12.0
183.11679	1.4
185.13248	11.4
187.14781	17.4
189.16370	12.1
191.17931	6.7
197.13121	2.0
199.14780	8.6
201.16284	16.3
203.17897	8.4
211.14763	2.5
213.16307	7.1
215.17833	9.1
217.19501	7.6
219.97983	1.2
227.17821	3.2
229.19453	2.7
231.21097	2.5
241.19421	6.6
243.20947	2.8
245.22537	2.0
253.19327	2.1
255.20953	11.7
257.22717	2.5
269.22540	7.7
283.24255	2.5
295.24164	1.9
297.25735	2.7
311.27216	1.8
323.27304	5.2
325.28632	1.6
390.92755	1.3
407.36630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3663
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
54.81186	1.1
55.05492	8.3
57.07069	13.5
60.29924	1.1
67.05484	12.4
69.07040	25.1
71.08603	11.9
76.55495	1.4
77.28500	1.2
79.05461	6.6
81.06564	2.1
81.07025	36.2
83.08590	6.7
83.80908	1.2
91.05453	5.5
93.07002	14.4
94.27368	1.3
95.08569	45.5
98.51878	1.4
105.07019	14.1
107.08549	26.3
109.10113	24.4
111.11720	1.9
114.65923	1.3
119.08547	19.8
121.02837	2.6
121.10097	24.7
123.11663	11.5
131.08534	3.4
131.36182	1.4
133.10085	17.2
135.11626	14.8
137.13226	10.3
145.10059	11.0
147.11609	13.1
149.02290	100.0
149.13214	13.3
150.02588	1.8
157.10065	5.5
159.11673	8.7
160.34996	1.3
161.13219	9.0
163.14761	2.7
167.03343	7.4
171.11618	5.7
173.13182	7.0
175.14755	2.6
177.16377	6.6
185.13150	1.6
187.14778	6.9
189.16331	7.2
191.17870	3.0
199.14769	1.8
201.16385	6.4
203.17911	9.3
205.19585	2.0
215.17844	6.4
217.19403	1.7
227.17830	1.4
229.19516	7.7
257.22488	2.9
269.22583	6.9
283.23840	1.5
365.31647	2.3
407.36615	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3662
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05494	22.8
57.07044	8.2
67.05476	23.3
69.06737	1.9
69.07043	36.1
73.58199	1.9
74.67627	1.8
75.05000	2.1
79.05448	12.8
81.07021	69.2
83.08575	13.2
91.05432	10.7
92.08646	3.8
93.06992	36.5
95.08565	100.0
97.10105	8.1
105.06971	37.5
107.08554	45.7
108.42023	2.0
109.09402	2.9
109.10119	53.0
117.07004	2.6
119.08522	36.4
121.10104	35.0
123.11657	23.2
131.08530	15.0
133.10049	23.4
135.11624	24.9
137.13246	20.1
143.08522	11.0
145.10057	28.5
147.11613	24.5
149.13214	25.3
155.08521	3.0
157.10048	16.6
158.10793	3.2
159.11667	29.0
161.13168	23.3
163.14706	8.7
171.11589	12.9
173.13196	17.0
175.14767	9.7
177.16330	4.1
183.11580	3.1
184.12213	2.2
185.13182	13.0
187.14752	12.8
189.16316	11.4
191.17867	11.2
197.13240	4.6
199.14758	13.6
201.16289	16.3
203.17883	13.1
211.14754	3.5
213.16283	11.4
214.17136	2.2
215.17867	13.5
217.19400	8.2
225.16315	2.6
227.17827	5.0
229.19356	4.1
241.19470	9.7
243.21005	4.0
253.19295	4.0
255.20946	11.4
255.30943	2.1
257.22559	30.6
268.66077	2.5
269.22513	15.3
283.24249	2.6
297.25714	2.6
315.48514	2.1
325.28723	3.2
407.36655	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26424	6.9
55.05484	43.8
57.07045	50.6
57.35720	7.3
59.43347	7.3
67.05476	16.0
69.07034	100.0
71.08607	36.3
74.53482	10.1
76.20666	7.5
79.05447	13.4
81.07017	53.3
83.01316	14.4
83.08573	46.8
85.10136	10.2
92.09458	8.7
95.08551	60.4
97.10117	20.1
97.39866	8.3
105.06977	18.4
107.08572	37.6
109.06481	19.6
109.10119	36.6
111.04397	17.0
121.10085	13.7
123.08003	20.7
123.11675	10.4
125.05910	71.2
133.10037	13.7
137.05946	64.9
137.09502	11.5
141.05408	8.9
147.11598	10.5
151.07422	13.6
159.11693	7.7
163.30379	8.6
165.08975	9.0
174.79572	8.5
179.10670	11.1
193.12201	13.4
245.30368	8.6
318.66879	9.9
389.34064	58.6
407.34885	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	407.3511
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
53.27479	2.0
53.76232	2.0
55.05490	3.2
57.07050	11.9
67.05482	49.3
69.07043	9.6
71.04972	3.9
71.08587	1.9
80.53870	2.4
81.07040	2.7
81.27906	2.0
82.55172	1.9
87.77491	2.0
93.06972	3.4
95.04924	15.2
95.08559	3.1
97.10152	9.0
99.04401	10.0
107.04968	2.9
109.10160	2.5
110.65819	2.8
113.05959	9.1
123.04371	18.7
125.05941	8.7
139.07549	3.4
141.05424	100.0
170.64534	2.5
346.55930	2.9
389.34082	5.1
407.35010	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3662
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
50.34798	1.1
51.54635	1.1
53.00253	1.2
54.09788	1.4
54.99546	1.1
55.05495	15.2
57.07049	3.8
57.31331	1.3
60.99122	1.2
67.05480	23.1
69.07040	29.6
79.05463	16.1
81.07024	60.1
83.08591	12.8
91.05460	15.1
93.07004	34.9
95.04915	1.6
95.08570	100.0
97.02364	1.4
97.10119	6.2
103.61327	1.4
105.07003	36.7
107.08562	58.4
109.10122	53.6
117.06952	2.9
119.07726	3.0
119.08531	55.0
121.10103	43.2
123.11692	24.8
128.06276	1.5
129.06947	3.2
131.08537	12.5
133.10088	29.5
135.11641	29.7
137.13203	14.3
143.08485	8.5
145.10091	27.4
147.11633	33.6
149.13206	19.0
157.10069	6.6
158.10831	2.0
159.11635	31.3
161.13208	30.3
163.14751	13.5
169.10072	2.1
171.11635	7.1
173.13188	13.9
175.14784	12.5
177.16333	3.4
185.13240	6.4
187.14764	13.8
189.16331	17.8
191.17854	14.7
199.14706	3.0
201.16341	11.5
203.17905	18.4
205.19429	2.3
211.14737	1.8
213.16374	7.0
215.17918	17.1
217.19392	12.0
218.45322	1.7
227.17943	3.5
229.19402	6.2
231.21033	1.7
239.17743	1.9
241.19460	2.4
243.20935	6.7
245.22469	1.8
253.19519	1.5
255.20897	7.3
257.22537	13.7
267.20905	2.1
269.22614	7.8
283.24121	2.5
297.25565	2.5
407.31958	3.1
407.36673	72.6
423.09622	1.5
427.18842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.351
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.05501	24.6
57.06802	2.8
57.07051	34.2
65.03881	2.7
67.05473	25.7
69.03406	27.3
69.07049	28.9
71.08598	19.5
72.97117	2.2
79.05466	12.7
81.07026	41.4
83.08590	17.6
85.10149	12.0
89.05979	3.1
93.07017	21.7
95.04917	10.2
95.08572	38.0
97.10135	11.1
102.00509	2.3
105.06995	11.9
107.08543	12.8
109.06457	4.4
109.10136	20.4
111.04405	3.6
111.11665	5.4
119.08536	10.1
121.10072	4.9
123.04386	48.7
123.07996	4.1
123.11638	12.6
125.05930	16.1
131.08534	2.7
133.10083	9.4
135.11719	5.6
137.05937	11.9
137.09557	5.4
139.07495	4.5
140.77437	2.4
141.05428	15.3
147.11664	4.1
151.07442	4.9
151.11107	5.5
161.13231	2.7
165.09079	5.6
175.14693	2.9
179.10617	4.6
193.12177	10.0
203.40515	2.8
389.33899	35.1
391.90952	2.3
407.35068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	17.7
57.07052	29.7
67.05483	23.3
69.03416	26.1
69.07044	32.1
69.89662	2.3
71.08612	18.7
73.06522	2.5
77.51057	3.0
79.05466	13.5
81.07014	38.3
83.08584	6.3
85.10166	4.7
93.07026	12.9
95.04909	5.2
95.08567	34.9
97.06486	6.0
97.10153	4.9
104.26349	2.3
104.57002	2.5
105.06985	9.7
107.08559	15.4
109.06472	9.1
109.10114	16.1
119.08533	14.2
121.10107	5.4
123.04375	38.6
123.08014	10.1
123.11652	6.6
125.05954	10.3
133.10088	11.4
135.11621	3.1
137.05907	12.5
137.09543	3.8
141.05435	11.8
143.06961	3.1
147.11650	13.8
149.13187	2.7
151.07458	11.4
151.11122	10.9
161.13193	3.0
163.14764	4.0
165.09059	3.1
165.12917	2.8
275.57266	2.7
356.01575	3.2
371.33246	3.3
389.34195	28.6
407.29575	3.2
407.35022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	3.0
55.05501	12.1
60.61983	3.2
67.05491	17.0
69.07049	24.7
71.08640	3.6
79.05472	8.1
81.07026	35.0
83.08573	6.4
87.21597	2.9
91.05445	7.0
93.07003	29.1
95.04926	5.4
95.08566	63.8
97.23994	3.2
105.06989	31.7
105.52524	3.4
107.08564	42.5
109.10159	29.2
117.06960	4.7
119.08527	34.3
121.10088	30.2
123.11675	7.0
129.06985	16.5
130.89719	3.0
131.08504	23.3
133.10097	24.8
135.11667	22.1
142.07846	3.8
143.08530	37.7
145.10074	30.9
147.11636	6.4
148.45538	3.2
149.13243	8.2
155.08504	5.3
157.10056	36.3
159.11655	16.1
161.13185	7.3
163.11308	4.0
163.14799	7.4
165.61414	3.6
169.10126	19.5
170.10901	7.1
171.11606	32.3
173.13222	25.2
175.14796	4.3
176.34578	4.0
177.16330	6.1
183.11656	8.0
185.13170	36.3
187.14771	24.6
189.16260	4.2
191.17941	5.7
195.11742	4.5
197.13290	5.4
199.14758	31.7
201.16321	19.0
205.15790	5.4
211.14803	18.1
213.16331	8.1
225.16301	5.2
237.16359	5.0
239.17914	5.3
241.19414	5.1
244.66724	3.8
253.19417	6.2
265.19485	7.1
360.77048	3.6
389.31781	14.2
407.32843	100.0
407.37515	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	407.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98346	4.7
55.05492	10.4
56.37581	4.0
56.96552	5.8
57.07064	6.4
66.49220	4.8
67.05478	27.0
69.07039	36.7
69.21605	4.7
70.06550	7.9
79.05448	13.2
81.07034	51.7
91.05448	31.0
93.07018	49.9
95.08581	63.4
97.06481	6.2
97.10133	4.9
105.07008	56.8
107.08562	80.0
109.10139	49.2
111.08063	6.1
117.07002	10.0
119.08543	89.7
121.10110	66.4
123.07927	4.9
123.11677	22.9
129.07001	11.3
131.08549	60.4
133.10089	53.7
135.11641	43.6
137.13223	5.2
142.07784	5.8
143.08524	27.2
145.10085	100.0
146.57916	4.9
147.04265	6.1
147.11652	22.4
149.13219	12.4
155.08559	7.4
157.10072	12.7
159.11670	47.5
161.13177	27.1
163.11137	8.0
163.14777	13.0
166.03845	5.8
169.10086	23.1
171.11632	27.4
173.13211	43.8
175.14806	22.3
177.16397	7.0
179.94569	5.1
180.33748	4.9
183.11702	6.8
185.13177	23.1
187.14761	80.6
187.34531	5.2
189.16335	25.4
197.13177	8.0
199.14767	22.1
201.16312	53.0
203.18080	6.0
211.14763	8.3
213.16386	37.5
215.17892	24.0
239.17853	5.9
241.19327	10.9
243.09430	5.8
253.19388	8.5
267.20966	7.4
288.69260	6.2
389.32047	10.6
406.35211	5.5
407.24228	10.4
407.32581	80.7
420.55814	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	407.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64462	1.3
55.05493	10.9
57.06281	1.3
57.07053	3.3
67.05486	12.6
69.07047	21.1
79.05459	13.7
81.07027	25.7
83.04935	2.5
83.08591	11.1
91.05431	16.1
93.07006	31.3
94.34361	2.0
95.04915	1.9
95.08570	51.3
95.09145	2.8
99.08077	2.5
105.06979	40.4
107.08560	76.9
109.10109	21.7
117.06952	11.5
119.08536	69.1
121.06503	1.9
121.10101	66.6
123.11682	6.0
129.06966	3.3
130.07646	1.9
131.08516	41.6
133.10074	41.3
135.08058	2.4
135.11650	18.9
137.09535	2.0
137.13190	2.2
143.08519	9.7
144.09314	3.2
145.10086	76.1
147.11649	21.3
149.13196	13.1
154.49893	1.5
155.08530	1.6
157.10059	14.4
158.10838	6.5
159.11633	40.6
161.13231	15.4
163.11122	44.2
163.14771	6.4
169.10114	2.5
171.11604	11.0
172.12421	2.6
173.13181	28.8
175.14761	42.6
177.12837	1.8
177.16312	40.6
183.11562	2.1
185.13222	6.7
187.14752	55.5
189.16261	13.0
191.17906	2.5
195.11591	1.9
199.14806	10.3
201.16319	45.4
203.17847	3.1
205.15817	100.0
211.14705	2.4
213.16356	2.2
233.19049	1.8
239.17783	2.2
284.06451	1.7
329.00885	1.6
389.31754	7.7
407.32947	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	407.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.3
57.07046	4.2
67.05489	22.5
69.07035	26.7
72.93761	4.5
79.05452	16.1
81.07025	40.0
83.08571	11.4
83.62326	2.0
91.05443	25.4
93.07009	51.3
95.04942	2.3
95.08573	79.0
99.08054	2.5
105.07001	43.7
107.08562	79.4
109.06519	3.2
109.10124	33.4
113.96333	3.0
114.40838	2.5
117.06958	14.5
117.69939	2.0
119.04884	21.8
119.08539	96.6
121.09283	3.1
121.10105	68.2
123.08010	7.8
123.11649	12.9
128.06123	2.4
130.07762	2.2
131.08537	50.5
133.10089	49.2
135.07979	2.9
135.11649	35.2
137.09555	10.9
137.13202	3.7
138.27339	2.3
142.07768	2.9
143.08452	14.8
144.09314	3.3
145.10080	100.0
147.04364	32.9
147.11641	24.3
148.04712	3.1
149.09564	2.6
149.13213	21.0
151.11159	4.0
152.96396	3.1
156.09256	2.7
157.10072	26.1
158.10826	11.0
159.11639	55.6
161.13182	16.9
163.11111	13.5
163.14731	15.9
166.97835	3.2
169.10059	3.3
170.10709	2.9
171.11632	14.5
172.12381	2.5
173.13203	50.4
175.14731	27.7
177.12743	2.8
177.16348	23.6
183.11659	9.1
185.13181	18.9
187.14757	73.8
189.14830	2.1
189.16234	16.9
191.17921	2.8
197.13275	3.0
199.14835	15.5
201.16324	63.6
203.17938	3.1
205.15829	46.5
207.17358	11.4
211.00418	2.5
211.14868	2.8
213.16339	10.6
215.17870	5.1
216.00905	4.1
226.41441	2.2
227.17960	3.7
237.16335	3.0
241.19485	2.8
257.03442	2.7
259.99908	2.8
278.00943	11.3
389.31906	13.7
407.32922	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00422	0.2
53.00283	0.2
54.84941	0.3
55.05492	3.9
57.06795	0.3
57.07058	9.2
58.59708	0.2
63.37696	0.3
65.03918	0.5
67.05473	1.1
69.07044	20.9
71.08261	0.4
71.08608	7.9
79.05447	1.4
80.31060	0.2
81.07030	3.0
83.08541	0.3
93.07005	0.6
95.08580	3.9
105.06975	0.6
107.08575	0.6
109.06517	0.4
109.10109	1.6
111.11687	2.7
113.13240	0.4
119.08571	1.0
120.75083	0.3
121.02837	4.7
121.10079	0.6
123.11659	0.6
127.84432	0.3
129.12717	2.1
131.08507	0.6
133.10088	0.5
135.11700	0.3
137.13177	1.7
139.29074	0.3
145.10098	0.7
149.02298	100.0
149.13217	0.4
167.03331	6.0
173.13252	0.4
200.39488	0.3
213.16542	0.3
214.80659	0.3
243.37209	0.3
258.32748	0.3
264.93045	0.3
271.52670	0.3
327.83011	0.3
407.36429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72557	1.5
52.44854	1.5
53.03915	3.0
53.28472	1.4
55.05486	14.9
57.07055	4.1
67.05483	26.8
69.03385	1.8
69.07045	24.1
79.05453	16.5
81.07024	57.8
83.04926	2.6
83.08604	4.0
91.05443	23.5
93.07011	48.6
95.04927	3.5
95.08565	76.0
97.10125	3.2
101.00436	1.8
105.06995	58.3
107.08556	63.3
109.06503	3.5
109.10119	42.2
111.08009	2.4
117.06987	14.4
119.07795	1.6
119.08532	56.8
119.09307	3.3
121.10095	45.1
123.08009	3.7
123.11646	15.3
125.09578	8.7
129.06973	8.3
131.08519	59.4
133.10075	44.3
135.11635	13.6
137.09607	2.5
142.07733	1.9
143.08528	23.7
144.09288	2.8
145.10071	72.8
147.11618	23.2
149.13202	23.4
155.08498	3.1
156.09270	3.5
157.10016	21.3
158.10872	3.6
159.11638	33.2
161.09615	2.1
161.13211	13.9
163.14731	21.3
169.10059	11.0
171.11633	14.5
173.13187	57.7
175.14751	19.7
177.16325	13.8
183.11664	8.9
184.12305	2.3
185.13206	12.6
187.14751	92.4
189.16348	28.4
191.17836	2.1
195.11748	2.4
197.13132	3.1
199.14746	20.1
201.12703	2.2
201.16347	17.6
203.17931	8.6
205.15765	2.2
211.14745	3.0
213.16307	38.0
215.14250	2.2
215.17880	26.2
217.15787	8.5
223.14702	2.1
225.16287	6.4
227.17830	12.8
229.19440	4.0
231.17343	1.9
233.18929	6.4
237.16261	2.4
239.17839	7.8
241.19489	11.6
243.17459	2.2
243.21147	2.4
251.17670	2.9
253.19403	2.4
255.20937	7.5
267.20987	7.8
281.22430	2.7
283.20560	2.5
283.23947	2.7
286.28302	1.8
389.31909	23.7
407.32889	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2572
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
53.03928	1.9
55.05489	3.6
57.07048	5.0
59.04972	2.1
59.37863	1.7
59.56087	1.8
67.05467	4.3
69.03403	3.1
79.05457	16.2
81.03368	2.1
81.07052	15.0
85.06513	4.1
91.05449	20.2
93.07004	21.7
95.04926	20.8
95.08561	8.3
97.06511	3.4
103.05436	2.0
103.69231	2.1
105.06994	35.8
105.07613	3.0
107.08569	17.2
109.06477	10.5
117.06970	4.0
119.08545	22.6
121.06487	13.2
121.10138	9.7
123.08068	4.6
128.06184	3.3
129.06975	9.4
130.07834	2.6
131.08528	15.5
132.94489	2.0
133.10104	13.0
135.08018	11.0
142.07751	3.7
143.08566	20.9
144.09384	3.3
145.10042	23.7
147.08006	8.6
149.09581	7.1
151.07532	9.2
155.08522	2.4
156.09282	4.7
157.10126	18.3
159.08003	2.9
159.11658	12.4
161.09589	7.5
167.08598	2.9
169.10095	9.4
171.11667	8.4
173.09564	4.9
173.13196	2.5
175.11150	2.1
177.09042	3.9
181.10037	3.4
182.10835	2.2
183.11707	4.9
185.09598	2.7
186.10376	2.5
189.12747	3.0
193.10063	3.1
197.13210	2.6
199.11160	8.3
199.14825	3.0
207.11864	2.9
207.13823	2.7
209.13293	4.6
211.11018	2.1
227.14247	2.2
229.12231	2.4
358.10825	1.9
407.25684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92420	1.7
57.03411	2.3
61.13016	1.7
61.47806	1.8
67.05473	2.6
69.03394	3.4
85.02875	4.0
97.02861	3.8
107.95193	2.0
121.02833	9.4
122.03162	2.1
123.04351	9.9
135.04338	2.4
151.03835	8.6
161.28801	1.8
163.03882	2.5
171.04988	2.3
172.65634	2.1
172.74104	1.9
198.26308	2.0
218.06155	1.9
244.07166	2.5
269.07999	2.4
295.05811	2.9
407.03867	3.3
407.09299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01857	1.6
55.05491	63.1
57.03411	1.9
57.07041	1.6
59.04973	3.7
65.32897	1.4
67.05473	8.6
69.03413	3.8
69.07041	11.3
71.04955	7.5
79.05450	2.5
81.07027	15.4
83.04941	22.1
83.08586	42.2
85.02869	8.6
85.06511	4.1
86.09664	12.6
91.05434	3.0
91.90163	1.7
93.06990	19.4
95.04924	32.4
95.08569	14.3
97.06490	4.1
97.10123	8.1
99.04420	11.0
105.06979	6.7
107.08551	26.5
109.06493	9.0
109.10115	19.4
111.08052	9.1
119.08538	3.3
121.10093	45.2
123.11667	7.1
125.09604	9.8
131.08461	1.8
133.10104	12.7
135.08089	2.0
139.11125	35.9
147.04329	2.1
147.11592	2.0
149.05954	1.7
149.13200	3.5
151.11118	41.1
151.12219	2.5
153.09093	7.0
163.03818	7.0
163.14713	3.6
167.06964	47.7
167.14229	44.0
173.13205	4.1
182.81351	1.7
191.14235	3.9
193.08516	1.7
209.15292	100.0
211.09508	3.0
227.16452	2.8
229.10649	2.4
316.90796	1.9
406.71127	1.9
407.13199	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80942	2.8
55.01865	3.0
55.05492	31.5
57.03412	4.2
57.07052	5.9
67.05483	85.8
69.03421	3.9
69.07040	28.7
70.06572	17.4
71.04970	6.7
71.08618	3.5
75.87593	2.7
77.13313	2.5
79.05458	31.9
81.07022	100.0
83.04959	3.6
83.08599	14.9
85.06506	10.6
88.07619	14.1
91.05428	21.6
93.07005	44.6
93.39555	2.7
95.08567	99.2
97.06503	6.2
97.10128	3.7
98.97490	2.6
105.06995	19.7
107.08545	30.4
109.06438	3.0
109.10119	44.4
114.09150	6.3
116.98585	2.8
117.06985	2.7
119.08528	21.7
121.10098	31.3
123.11648	5.8
125.91261	2.4
131.08517	13.0
132.10172	17.4
133.10097	13.5
134.56335	2.7
135.08011	5.5
135.11652	13.8
136.32542	2.7
139.11147	3.4
145.10089	14.6
147.11667	6.6
149.09706	3.5
149.13237	5.7
159.11725	2.8
161.13170	4.9
173.11728	4.2
175.14761	3.6
176.12804	11.2
229.14206	5.4
243.21024	4.1
256.26181	6.4
261.22021	12.9
279.23056	37.5
285.10104	3.4
297.24310	6.1
324.42792	2.7
328.82028	2.8
353.26816	31.7
369.90497	3.1
371.27661	26.8
406.35114	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05497	10.7
57.03415	4.0
57.07054	2.3
59.04979	0.9
59.50206	1.3
65.03907	1.2
67.05478	9.6
67.12639	1.0
69.03403	7.6
69.07041	14.2
71.04969	12.9
79.05470	13.4
81.03389	1.9
81.07021	26.8
83.04947	4.3
83.08587	4.8
85.02874	18.5
85.06521	10.4
88.42805	1.0
91.05452	18.3
92.08673	1.6
93.07008	43.1
95.04928	4.8
95.08019	1.8
95.08576	32.2
97.02847	4.4
97.06489	8.3
99.04413	2.0
99.08020	1.5
105.07001	37.6
107.04932	1.2
107.08562	100.0
109.02851	1.3
109.06482	18.5
109.10120	11.5
111.04369	1.4
111.08038	1.8
117.06979	5.0
119.04903	2.6
119.08539	45.0
121.06467	17.2
121.10103	55.6
123.08015	7.0
123.11688	1.5
127.03838	1.9
129.06978	1.6
131.08530	54.0
133.10086	53.1
135.08017	17.8
135.11646	16.0
137.09569	7.8
143.08504	7.6
144.09299	1.7
145.04951	1.2
145.10065	21.3
147.04373	7.3
147.11644	19.4
149.09555	6.5
149.13240	8.3
158.10841	10.1
161.13187	9.8
163.11104	1.7
163.14761	58.4
167.06917	2.1
173.13193	59.1
175.14824	2.0
179.14139	1.7
181.06425	2.5
191.14253	51.9
192.56633	1.0
209.05965	2.1
209.11781	2.1
209.15335	10.9
227.06956	1.9
227.16353	2.6
230.74054	1.1
232.27022	1.1
251.92271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49525	1.3
53.03914	1.0
55.01858	1.5
55.05243	2.0
55.05490	34.6
57.03384	1.4
59.04966	1.9
59.45913	1.1
67.05480	9.5
69.03391	8.9
69.07038	6.1
71.04946	2.7
79.05443	7.0
81.07020	14.4
83.04948	29.8
83.08137	2.2
83.08591	32.3
85.02882	8.7
85.06484	1.9
91.05439	6.2
93.06995	11.5
95.04923	6.0
95.08569	10.4
97.02836	2.5
97.06467	5.8
97.10118	2.1
105.06966	10.0
107.08550	21.6
109.06464	2.9
109.10119	23.5
111.08093	9.0
117.06894	1.8
119.08520	8.4
121.10101	20.8
123.11674	9.2
125.09578	7.9
127.11226	1.3
131.08551	8.8
133.10068	25.8
135.07997	2.7
135.11650	2.6
137.09631	2.0
145.10063	8.5
147.11629	4.7
149.09492	2.2
149.13211	9.0
151.11130	32.8
151.12227	2.3
151.13673	1.2
163.11082	9.0
163.14737	2.3
167.14250	41.1
173.09534	1.4
173.13170	9.9
177.52312	1.1
191.10605	7.6
191.14212	16.1
198.39056	1.3
209.15298	100.0
227.12672	9.8
227.16275	11.7
252.83958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03810	0.7
50.17405	0.8
53.03916	1.5
55.01841	1.0
55.05495	1.7
57.03411	6.0
57.07047	1.7
59.04984	1.3
60.26241	0.9
61.02897	2.0
66.76514	1.0
67.05476	4.3
69.03406	8.4
69.07042	5.2
71.04961	7.2
76.87294	0.9
79.05444	1.6
81.03371	2.1
81.07030	10.6
83.04936	4.3
83.08598	2.3
85.02876	19.4
85.06476	1.5
91.05457	2.1
93.07011	9.3
95.04927	5.0
95.08573	8.2
97.02866	5.4
97.06487	5.4
97.10124	1.4
98.26347	0.9
99.04375	1.3
102.33600	0.9
102.71971	0.9
105.06984	12.3
107.07902	1.4
107.08559	25.5
109.02874	1.2
109.06487	14.4
109.10118	17.7
111.08060	5.7
115.07469	1.0
119.08553	7.9
121.06462	1.3
121.10102	100.0
123.08001	4.3
123.11668	6.7
125.09541	4.1
131.08499	8.4
133.10086	25.2
134.87767	1.1
135.07979	6.4
135.11665	8.6
137.09572	8.4
139.11131	4.2
143.10469	1.0
145.10046	4.1
147.11629	12.7
149.09554	1.3
149.13203	13.5
149.94551	1.0
151.11143	21.7
153.09047	5.2
158.10873	2.2
163.00307	0.9
163.14716	9.8
169.12212	4.3
173.13188	27.2
191.14252	43.1
209.15279	26.7
227.16336	87.7
228.55627	1.1
252.04085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92598	1.5
53.03939	1.9
53.51178	1.5
54.80678	1.4
55.05492	3.7
57.03421	4.1
57.82346	1.6
61.02912	2.4
61.74023	1.6
66.50953	1.7
67.05469	2.6
69.03403	10.3
69.07039	12.0
71.04963	8.0
73.19815	1.8
79.05467	7.2
81.07015	12.3
83.04960	3.5
83.08592	2.4
85.02861	23.2
85.06525	1.8
93.06998	13.2
95.04916	23.8
95.08574	9.9
97.02862	4.5
97.06491	9.6
99.04439	4.3
99.08045	8.7
105.07002	16.7
105.07592	1.6
107.08560	27.9
109.06485	3.1
109.10127	15.7
111.08045	3.5
119.08543	8.7
121.10093	100.0
123.08009	4.5
123.11651	8.4
125.09583	3.3
131.08522	10.5
133.10085	34.3
135.08012	8.6
135.11684	10.6
137.09581	9.1
139.11159	2.7
145.10048	2.7
147.11670	14.4
149.09572	55.1
149.13228	11.0
150.07942	1.8
151.11179	15.6
153.09079	9.8
163.14786	8.2
167.14221	2.5
173.13165	22.4
191.14268	41.2
209.15302	61.3
209.83453	2.3
227.16328	74.0
227.18491	3.5
283.85928	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
54.18031	0.2
55.01851	0.4
55.05489	1.3
56.05015	0.5
57.03411	1.6
57.07046	0.4
58.99556	0.6
59.04989	0.3
61.02899	0.5
62.19677	0.2
66.65372	0.3
67.05482	1.8
69.03407	2.3
69.07033	1.9
70.06557	0.7
71.04951	1.6
73.37590	0.2
74.00634	0.3
76.02201	2.3
79.05443	2.6
81.03392	0.7
81.07031	4.0
83.04945	0.6
83.08607	0.3
84.04474	3.2
85.02881	5.5
85.06531	1.6
86.99025	0.5
87.02691	0.3
88.18507	0.3
91.05436	4.7
93.07002	4.6
94.08755	0.3
95.04939	2.8
95.08568	4.4
97.02837	1.4
97.06503	3.2
98.09616	0.4
99.04403	1.1
99.08054	0.7
105.06995	11.1
107.08562	10.9
109.02866	0.4
109.06476	7.2
109.10129	2.9
111.08054	0.6
112.07558	0.3
116.01622	2.5
117.06970	1.1
119.04922	0.4
119.08550	4.2
121.06402	0.8
121.10107	5.1
123.08029	2.6
123.11655	1.8
125.09600	0.7
127.03870	1.3
131.08524	14.8
133.10088	100.0
134.10388	0.5
135.08009	6.0
135.11607	1.2
142.03119	0.3
143.08514	1.6
144.01135	0.6
144.09315	0.4
144.25967	0.4
145.04915	0.5
145.10092	6.1
147.04398	0.3
147.11635	3.8
149.09608	3.2
149.13210	3.7
151.11159	4.3
153.09061	0.6
156.08385	1.2
156.10100	0.4
157.06717	0.4
158.10851	4.1
162.02148	1.5
163.07515	0.5
163.11162	0.7
163.14758	1.9
165.81848	0.3
171.11540	0.3
173.13203	25.5
174.09474	0.5
179.04744	0.3
191.14249	38.8
209.11780	3.2
209.15306	13.8
216.06921	0.4
227.16283	0.4
259.11029	4.7
313.12354	0.4
346.18567	0.3
371.20599	0.5
406.16583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.7
55.05489	11.7
56.05009	9.5
57.03417	42.0
57.07064	3.2
58.99560	8.5
59.04991	3.3
60.68915	1.6
61.02906	11.6
65.12132	1.8
66.98334	1.6
67.05476	8.6
68.05006	2.1
69.03402	32.5
69.07044	27.9
69.38071	1.7
71.01313	2.7
71.04969	15.1
73.01093	2.0
73.02884	70.0
76.02195	19.0
79.05453	25.8
81.03388	9.2
81.07024	40.0
82.42348	2.0
83.04954	3.9
83.08589	11.2
84.04478	44.0
85.01103	7.3
85.02877	70.3
85.06526	10.4
86.00632	3.3
86.99017	10.1
87.02654	10.2
87.04443	4.7
91.03893	2.0
91.05437	15.8
93.07001	62.6
95.04928	62.1
95.08570	13.9
97.01116	2.4
97.02849	46.2
97.06499	28.8
97.10123	2.5
98.09657	18.6
99.04424	15.8
99.05544	2.0
99.08072	3.5
102.05540	3.1
105.06995	41.1
107.04964	2.9
107.08556	75.2
109.02859	4.5
109.06491	19.7
109.10132	11.5
113.04213	4.8
114.35297	2.1
115.03890	22.6
115.05821	2.3
115.07527	23.5
116.01638	28.2
117.06945	3.1
119.08527	27.4
121.06508	2.1
121.10097	100.0
123.04368	12.1
123.08031	4.0
123.11608	4.5
125.09604	2.6
125.39613	2.0
127.03878	15.8
130.04942	9.0
130.06865	3.1
131.08495	39.5
133.04915	3.3
133.10086	69.2
133.11058	3.1
135.08035	20.8
135.11664	9.1
140.07205	2.0
144.01128	9.3
144.09320	2.2
145.04938	13.3
145.10092	10.3
147.08029	2.4
147.11673	11.9
149.05911	4.3
149.09601	9.3
149.13187	4.8
151.11127	3.8
153.09082	16.3
156.08360	23.1
156.10197	18.0
157.06796	10.6
158.10860	4.7
162.02089	16.8
163.06023	3.9
163.07463	4.4
163.14780	26.5
167.06944	7.9
167.10669	2.9
167.14316	3.3
173.09647	2.0
173.13190	47.4
174.09412	9.0
175.14745	10.3
179.04774	2.1
180.08510	2.5
182.77148	2.2
191.06987	4.5
191.10648	9.0
191.14253	53.1
194.16113	2.5
207.13757	2.4
209.07962	4.0
209.11679	3.8
209.15294	49.7
215.08994	3.3
216.06812	3.3
227.09094	3.5
227.12714	8.8
227.16255	18.3
259.10995	78.7
331.12991	2.4
406.15802	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	406.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	5.1
55.01850	17.5
55.05487	5.2
57.03407	2.7
57.07042	1.4
67.05466	7.7
69.03403	22.4
69.07038	16.4
71.04966	10.2
79.05453	17.5
81.03385	35.5
81.07027	28.6
83.04926	4.8
83.08605	1.5
85.02874	9.0
85.06534	8.6
85.80288	1.1
88.66362	0.9
91.05453	9.6
93.06430	1.6
93.07006	41.2
93.50226	1.1
95.04934	10.5
95.08558	21.3
97.02843	2.3
97.06486	17.8
99.04417	13.3
99.08067	1.3
105.06993	34.2
106.76614	1.0
107.04932	2.4
107.08558	75.9
108.08961	1.3
109.02175	1.4
109.02852	24.9
109.06479	17.5
109.10117	4.7
111.08040	6.9
111.11700	1.4
113.05988	7.9
117.06942	2.8
119.08531	12.5
121.06483	15.1
121.09286	1.9
121.10097	42.0
123.08009	16.7
123.11625	2.1
125.05999	1.4
125.09557	1.3
127.03875	17.9
127.07487	4.5
130.07693	1.5
131.08495	5.0
133.06465	1.3
133.10075	1.4
135.08012	4.9
135.11646	17.5
137.09534	1.4
139.11079	4.6
143.08461	1.6
145.10077	37.1
147.11609	8.3
149.05992	1.5
149.09561	20.9
149.13237	1.5
151.07495	13.9
152.79926	1.2
155.08530	1.2
163.11118	83.1
165.12701	2.3
167.10606	30.3
169.08531	100.0
173.09540	6.2
177.12636	1.1
181.12169	18.7
185.11588	2.6
189.08952	1.4
189.43735	1.2
191.10582	31.0
191.14233	4.1
197.26563	1.3
209.11638	24.9
209.15247	2.6
227.12700	77.9
227.16151	2.1
244.07065	1.2
244.09593	34.2
269.13736	4.5
289.14114	1.7
299.65567	1.2
335.14832	5.6
353.15814	26.9
371.16782	23.3
391.56998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.6
55.01846	4.3
55.05498	14.1
57.03407	4.4
57.07048	1.8
61.02911	3.5
67.05476	16.9
69.03405	20.0
69.07047	16.0
71.04973	13.9
79.05459	21.7
81.03370	8.4
81.07027	27.3
83.04941	10.8
83.08589	3.7
85.02874	40.2
85.06511	9.2
87.75536	1.6
91.05441	15.7
91.32878	1.5
93.07014	57.0
95.04922	10.0
95.08579	22.3
96.11178	1.7
97.02834	12.3
97.06473	6.8
99.04417	43.4
101.05962	8.9
105.06999	42.4
107.08561	100.0
108.01167	1.6
108.94321	1.9
109.02864	2.0
109.06493	13.6
109.10133	12.2
111.08029	7.8
115.07480	1.6
116.36173	1.6
117.06981	9.0
119.08549	19.9
121.06439	14.1
121.10099	71.6
123.08015	8.7
123.11633	3.3
125.09563	3.5
127.03873	4.3
127.07501	2.1
130.07756	2.0
131.08528	13.0
133.10112	16.0
135.07983	9.9
135.11659	20.7
137.05879	2.3
139.07466	2.9
139.11142	3.0
145.04869	2.8
145.10077	43.7
147.04352	2.3
147.11627	10.8
149.05940	2.8
149.09563	8.6
149.13210	4.3
151.11107	6.8
153.06917	2.8
158.10887	1.8
161.13199	14.5
163.03825	2.4
163.11125	94.5
163.14754	6.4
165.12729	8.5
167.14264	2.0
173.09563	12.3
173.13193	10.9
179.14218	20.1
181.12186	15.8
191.10611	75.0
191.14238	20.8
197.15292	8.0
209.11670	19.6
209.15303	36.8
213.31551	1.6
227.06949	2.4
227.12703	63.1
227.16116	12.7
228.06502	2.6
229.07359	2.9
244.09561	26.5
271.29483	2.0
420.90048	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05491	2.3
56.05018	4.5
57.03407	5.1
58.99557	7.0
62.12042	0.9
67.05476	5.8
69.03415	3.9
69.07037	8.7
70.06581	1.3
71.04967	12.0
76.02192	17.2
76.03972	1.3
76.08281	0.9
79.05457	18.8
81.03410	1.2
81.07030	18.4
83.04951	5.4
84.04474	20.5
85.01094	1.1
85.02873	5.7
85.06509	1.3
86.00623	2.4
86.99020	7.2
87.02670	4.2
91.05434	10.7
93.07027	15.0
95.04930	7.3
95.08557	4.8
97.02871	1.1
97.06506	5.6
98.09660	6.0
98.97607	1.0
99.08089	2.1
102.05486	2.0
105.06992	16.3
107.04930	6.7
107.08555	31.7
107.09215	1.9
109.06494	3.7
109.10110	4.0
110.09650	1.1
111.04398	1.3
113.04199	4.3
116.01633	18.8
116.07067	1.1
117.06973	4.4
119.08529	5.8
121.06456	18.4
121.10081	19.4
122.09642	2.0
123.08054	1.4
125.05980	3.7
125.09572	1.4
129.07079	1.4
130.04955	4.6
130.06863	1.7
131.08522	100.0
133.10100	4.5
135.08022	1.9
135.11613	1.9
139.07443	1.2
142.03249	1.1
144.01140	6.5
145.10089	24.6
147.08002	2.3
147.11638	3.7
149.05959	2.0
149.09579	42.9
149.10744	1.8
151.11134	1.4
153.05440	5.8
156.08395	9.5
156.10161	4.0
157.06815	6.4
162.02139	13.7
163.07477	1.1
163.11143	15.1
165.09105	1.9
167.07031	2.3
167.10614	1.9
170.02824	1.3
173.09589	2.2
173.13161	1.6
174.09470	4.1
179.04800	1.5
191.10603	25.6
191.14268	2.1
209.11667	97.9
216.06804	2.0
246.45569	1.0
259.11038	33.6
313.12039	1.9
406.16516	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	406.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25865	0.6
53.03930	1.3
54.28327	0.6
55.01854	4.3
55.02281	0.7
55.05494	4.2
57.03414	3.4
58.85048	0.7
61.02896	1.7
67.05479	26.4
67.05815	1.5
69.03410	4.3
69.07044	5.4
71.04951	8.2
74.09688	9.1
79.05459	24.6
81.03397	4.1
81.07021	25.0
83.04956	6.3
83.08581	1.9
85.02873	14.4
85.06516	6.1
91.05435	14.5
93.06993	19.6
95.04916	19.4
95.08582	7.1
97.02842	4.8
97.06491	13.3
99.04441	5.9
99.08025	1.0
105.06966	7.5
107.04916	52.2
107.05641	1.9
107.08559	26.7
109.02898	0.9
109.06491	3.7
109.10120	2.1
109.40127	0.8
117.06971	6.1
119.04893	1.0
119.08526	11.0
121.02814	3.0
121.06434	1.7
121.10092	35.7
123.08031	3.3
125.05972	1.9
125.09592	1.1
127.03873	1.1
127.07549	1.2
129.06982	4.6
131.04881	4.3
131.08513	10.0
133.10066	7.3
135.07961	1.1
135.11647	16.2
135.12567	1.2
137.05927	1.0
145.04959	1.0
145.06458	5.9
145.10078	27.2
147.11656	4.6
149.09564	6.4
149.13184	1.7
151.11156	1.4
153.09021	1.8
155.08543	8.0
155.09592	0.9
163.11116	23.8
163.14700	1.7
164.04256	1.0
167.07008	1.7
167.14230	3.2
168.02556	0.9
173.09561	23.8
173.13205	3.7
177.81566	0.9
179.14232	5.6
180.15689	0.9
181.12126	1.0
191.10600	26.8
191.14244	6.3
209.11681	16.3
209.15315	16.3
227.12697	100.0
227.16338	3.6
258.82758	0.9
283.05954	1.9
284.06232	6.0
284.08957	1.7
285.06570	4.3
286.06824	10.6
287.07388	1.7
298.07184	1.8
300.08496	1.6
310.07635	1.1
311.07932	1.3
312.08295	5.3
315.07660	1.3
316.07886	7.6
322.07825	4.5
324.08447	7.8
338.07294	3.4
340.07779	10.6
350.07214	1.6
352.07855	5.9
368.08533	1.5
370.08841	13.2
388.10049	1.2
388.32184	0.8
406.10864	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	406.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25865	0.6
53.03930	1.3
54.28327	0.6
55.01854	4.3
55.02281	0.7
55.05494	4.2
57.03414	3.4
58.85048	0.7
61.02896	1.7
67.05479	26.4
67.05815	1.5
69.03410	4.3
69.07044	5.4
71.04951	8.2
74.09688	9.1
79.05459	24.6
81.03397	4.1
81.07021	25.0
83.04956	6.3
83.08581	1.9
85.02873	14.4
85.06516	6.1
91.05435	14.5
93.06993	19.6
95.04916	19.4
95.08582	7.1
97.02842	4.8
97.06491	13.3
99.04441	5.9
99.08025	1.0
105.06966	7.5
107.04916	52.2
107.05641	1.9
107.08559	26.7
109.02898	0.9
109.06491	3.7
109.10120	2.1
109.40127	0.8
117.06971	6.1
119.04893	1.0
119.08526	11.0
121.02814	3.0
121.06434	1.7
121.10092	35.7
123.08031	3.3
125.05972	1.9
125.09592	1.1
127.03873	1.1
127.07549	1.2
129.06982	4.6
131.04881	4.3
131.08513	10.0
133.10066	7.3
135.07961	1.1
135.11647	16.2
135.12567	1.2
137.05927	1.0
145.04959	1.0
145.06458	5.9
145.10078	27.2
147.11656	4.6
149.09564	6.4
149.13184	1.7
151.11156	1.4
153.09021	1.8
155.08543	8.0
155.09592	0.9
163.11116	23.8
163.14700	1.7
164.04256	1.0
167.07008	1.7
167.14230	3.2
168.02556	0.9
173.09561	23.8
173.13205	3.7
177.81566	0.9
179.14232	5.6
180.15689	0.9
181.12126	1.0
191.10600	26.8
191.14244	6.3
209.11681	16.3
209.15315	16.3
227.12697	100.0
227.16338	3.6
258.82758	0.9
283.05954	1.9
284.06232	6.0
284.08957	1.7
285.06570	4.3
286.06824	10.6
287.07388	1.7
298.07184	1.8
300.08496	1.6
310.07635	1.1
311.07932	1.3
312.08295	5.3
315.07660	1.3
316.07886	7.6
322.07825	4.5
324.08447	7.8
338.07294	3.4
340.07779	10.6
350.07214	1.6
352.07855	5.9
368.08533	1.5
370.08841	13.2
388.10049	1.2
388.32184	0.8
406.10864	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	406.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31473	0.5
53.03917	0.6
55.01850	1.2
55.05489	1.0
56.96558	0.9
57.03410	3.5
58.11267	0.6
61.02888	1.7
67.05479	1.4
69.03407	6.6
71.04963	1.6
73.02862	3.2
79.05446	1.3
79.43641	0.7
80.83636	0.8
81.03383	3.0
81.06985	1.2
82.43581	0.6
83.04957	1.8
84.04459	1.3
85.02879	16.2
91.03902	0.8
91.05437	5.8
93.07013	5.7
95.04923	3.9
95.08533	0.9
97.02866	5.4
97.06456	0.9
98.09674	0.9
98.97598	0.8
99.04421	5.7
103.05424	4.6
105.07003	2.9
107.04918	4.3
107.08548	3.7
109.02831	1.1
111.04403	1.6
117.06953	1.2
119.04906	1.0
119.08502	1.8
120.05681	0.9
120.08916	0.9
121.02904	0.9
121.06474	9.6
121.10123	1.5
123.04379	9.3
123.08061	0.7
127.03854	1.7
127.52132	0.7
131.04919	6.2
131.08534	1.6
133.02838	1.2
133.10040	5.4
135.04361	1.4
137.05930	17.2
137.09583	1.3
137.55072	0.9
139.03889	1.3
140.04636	2.7
145.02831	0.8
145.04886	1.2
145.06464	1.1
145.10083	1.7
147.04341	1.6
147.11650	1.4
148.05110	1.0
149.02281	3.1
149.05928	18.8
153.05388	1.0
155.06996	1.5
159.04321	3.0
163.03807	4.8
163.07518	6.1
167.03348	3.1
167.06981	100.0
173.13155	1.3
177.05405	28.8
191.06949	7.5
191.14232	1.0
194.05673	1.5
208.10258	0.9
209.04349	4.3
209.08002	18.2
209.11790	1.2
227.09073	47.6
259.10977	1.5
308.83972	0.8
339.22311	0.8
406.17245	4.5
432.05936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01846	1.9
55.05484	0.8
57.07053	0.5
59.85830	0.4
60.50455	0.5
61.02900	0.5
67.05460	2.1
69.03400	3.1
69.07032	2.3
71.04965	0.9
74.03479	0.4
74.12377	0.4
78.80534	0.4
79.05466	4.6
81.03378	2.1
81.07016	3.8
83.04953	2.1
83.08634	0.5
85.02881	8.2
87.04465	0.7
91.05453	6.8
92.09323	0.6
92.43736	0.4
93.07008	9.3
95.04917	3.0
95.08559	7.2
97.02844	2.6
97.06474	0.7
99.04414	0.9
105.03358	0.7
105.06990	9.5
107.04885	0.6
107.08562	40.8
109.02843	0.5
109.06496	3.2
109.10120	2.4
110.10429	0.5
111.04403	3.1
111.08035	6.0
115.05489	0.4
117.06971	2.4
119.08540	6.7
121.06461	10.6
121.10098	7.5
123.08028	8.6
123.11650	5.2
127.03884	0.8
131.08563	3.2
133.10080	6.1
135.08012	52.7
139.07495	34.3
141.05080	0.5
145.04999	0.7
145.06415	1.9
145.10094	1.8
147.07985	4.5
147.11664	4.5
149.05969	7.1
149.09558	3.3
151.11099	2.1
153.06853	0.7
161.13200	0.9
163.07487	55.5
163.14745	0.4
167.06978	100.0
167.10582	4.9
167.14357	0.6
173.13162	5.5
175.14763	2.6
181.06310	0.6
185.08064	2.1
191.06967	11.1
191.14247	3.7
193.15776	0.5
197.25804	0.5
199.07495	1.7
209.08020	16.4
209.11697	0.9
209.15315	4.3
227.07108	2.9
227.09058	59.0
227.16365	4.7
228.09396	0.4
245.10178	0.8
259.96762	0.5
278.41983	0.5
390.13345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89077	0.4
53.03923	1.1
55.01849	1.4
57.03411	2.2
61.02889	2.4
69.03409	5.4
71.04961	0.9
73.02888	2.7
79.05437	0.8
81.03374	1.4
81.07001	1.1
83.04947	1.0
85.02869	14.5
91.05432	4.7
93.07005	3.6
95.04897	2.5
97.02847	5.4
99.04425	3.2
103.05428	5.7
105.06976	1.3
107.04938	2.8
107.08562	1.0
109.02831	0.9
111.04427	0.8
117.03284	0.8
117.06972	1.2
119.04937	0.7
119.08538	2.1
121.02863	0.6
121.06445	11.4
121.10082	0.9
123.04385	11.5
127.03891	1.2
127.39443	0.5
131.04869	9.3
131.08543	1.0
133.10088	2.3
134.03564	0.7
135.04376	2.5
137.05910	17.0
137.09592	0.6
140.04666	2.3
145.02798	0.8
145.04994	1.3
145.06436	5.9
147.04356	1.3
147.08018	0.7
147.11629	1.0
148.05141	1.1
149.02295	1.3
149.05928	20.9
152.04587	1.0
153.05400	0.7
153.45007	0.6
155.07004	1.2
159.04369	4.3
163.03903	2.2
163.07483	6.0
167.06960	100.0
168.07271	0.7
173.13332	0.7
176.04626	0.7
177.05382	29.2
181.08542	1.3
191.06969	9.5
191.14262	0.7
194.05675	0.7
195.06390	0.6
209.04456	1.3
209.07982	18.7
216.46077	0.6
227.05632	1.1
227.09045	41.0
406.17587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09169	0.4
52.52921	0.5
55.01846	0.9
55.05490	1.4
57.03403	0.7
60.25542	0.6
61.00294	0.4
61.02884	0.8
67.05466	1.2
69.03391	4.8
69.07037	2.9
70.03867	0.5
70.18673	0.5
70.73363	0.6
71.04951	2.9
73.02855	0.5
79.05470	5.3
81.03375	1.4
81.07024	4.9
83.04945	2.8
83.08578	0.7
85.02872	11.7
85.06483	0.6
91.05438	8.7
93.07005	9.8
95.04916	1.2
95.08569	10.8
97.02824	1.3
97.06478	1.4
99.04395	2.3
105.06992	8.5
107.04941	0.6
107.08556	48.6
109.02785	0.6
109.06457	3.4
109.10111	2.8
111.04393	2.8
111.08034	8.1
113.69973	0.6
117.06944	1.4
119.04951	0.6
119.06023	0.8
119.08522	5.1
121.02831	4.5
121.06444	9.0
121.10104	8.4
121.51006	0.6
123.08017	11.7
124.03890	1.2
127.03854	1.4
131.08546	6.2
133.10080	15.0
135.08002	53.1
135.11621	2.7
137.09525	2.8
139.07486	32.2
145.04945	0.6
145.06474	0.7
145.10098	2.7
147.08000	3.6
147.11664	4.4
149.05913	6.9
149.09549	2.7
149.13182	2.8
151.11130	8.9
158.10867	1.1
163.07480	57.1
163.14769	2.5
167.06966	100.0
173.13161	5.8
185.08055	2.3
191.06947	13.6
191.14238	17.9
209.08008	14.0
209.11618	3.1
209.15279	9.8
223.86726	0.6
227.09059	63.7
227.16357	3.2
252.34891	0.6
305.73175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87890	0.4
53.03917	0.6
55.01859	1.0
55.05482	2.1
57.03407	1.1
61.02880	1.0
65.54391	0.4
67.05471	2.1
69.03396	2.4
69.07035	1.1
71.04948	2.0
74.01367	0.5
79.05455	3.2
79.96785	0.4
80.91525	0.4
81.03365	0.8
81.07035	3.9
83.04931	1.0
85.02869	7.8
87.04436	1.2
91.05423	5.4
93.07000	9.6
95.04914	3.1
95.08572	7.2
97.02842	2.8
97.06491	1.1
102.23787	0.5
105.06993	8.8
107.04951	1.0
107.08559	46.1
109.06467	3.9
109.10139	1.2
111.04385	1.0
111.08053	7.6
117.06974	1.2
119.06047	0.5
119.08549	5.8
121.06466	8.9
121.10104	5.4
123.08018	10.2
123.11639	3.4
125.09509	0.5
127.03851	1.9
131.08549	4.7
131.46913	0.5
133.10068	5.9
135.08009	57.6
135.11653	0.6
139.07495	37.0
145.04834	0.6
145.06445	2.5
145.10062	2.0
147.07974	4.4
147.11630	3.5
149.05954	6.7
149.09572	2.0
149.13234	0.6
151.11110	2.5
153.06993	0.6
153.09013	0.6
158.10857	0.7
161.13228	1.0
163.07481	60.6
165.12589	0.5
167.06975	100.0
167.10620	5.9
168.07425	0.5
173.13225	5.6
175.14766	3.9
185.08028	1.1
191.06969	13.8
191.14273	3.4
195.02670	0.5
199.07477	1.1
209.08034	14.5
209.15262	3.3
227.07100	2.7
227.09055	63.9
227.16345	3.1
261.11838	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
85.02882	4.8
92.10027	2.4
108.44080	2.3
111.04333	2.2
117.31092	2.2
127.03872	2.5
139.03850	100.0
179.33342	2.2
182.33089	2.6
258.37289	2.4
281.58078	3.1
347.79813	2.6
405.33521	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	406.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29828	0.3
55.05493	0.7
65.03912	2.4
67.05475	4.5
68.99766	5.1
69.03395	2.1
69.07047	0.4
81.03375	0.5
83.04951	12.1
85.02865	4.5
85.06515	3.4
87.00809	3.1
92.09338	0.5
93.03377	5.0
95.04913	3.1
97.02843	0.8
98.97552	0.6
107.04904	0.9
109.02852	1.0
111.04404	13.4
115.03841	0.4
119.03337	0.4
121.02842	3.2
123.04369	2.7
127.03881	0.4
129.05432	3.9
135.04373	1.8
137.02296	100.0
138.02710	0.5
139.03862	5.7
147.04324	0.5
149.02303	4.9
149.83899	0.4
151.03854	0.7
155.03258	0.8
157.04898	2.9
158.70052	0.5
160.96477	0.4
161.02289	7.4
163.03860	2.5
167.07022	2.4
172.53230	0.4
177.05524	0.4
179.03326	16.8
179.04881	0.7
193.36865	0.5
193.86353	0.4
197.04402	12.8
207.06599	0.6
209.06421	0.7
217.07045	2.2
333.56064	0.4
353.08502	2.1
388.12192	3.8
403.29901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17496	0.8
52.35772	0.8
53.03918	1.1
54.81596	0.9
55.01847	6.0
55.05484	5.1
56.05020	10.9
57.03426	7.5
58.99568	18.2
59.04960	1.9
61.01107	0.9
61.02882	1.1
65.03912	1.4
67.05479	1.3
68.05015	1.5
69.03400	4.3
69.07029	4.8
70.02915	1.3
70.06560	1.0
71.04956	2.2
73.01116	1.0
74.00628	4.2
76.01803	1.5
76.02197	34.6
76.03960	4.3
79.05476	8.6
80.04984	1.6
80.07893	0.9
81.03372	2.3
81.07025	31.8
83.06058	1.5
84.04474	49.0
84.08095	1.2
84.88115	0.9
85.01089	5.6
85.02872	6.1
85.06434	1.0
86.00613	8.0
86.99023	14.8
87.02657	9.1
87.04434	1.8
88.02178	5.7
91.05444	2.4
93.07017	4.0
94.06536	1.3
94.67146	1.1
95.04930	4.5
95.08582	7.3
96.08057	1.2
97.02825	2.1
97.06484	4.8
98.09654	20.2
99.04401	1.8
99.08025	5.8
102.05489	7.2
105.07005	8.1
107.08554	9.5
109.06446	1.6
109.10139	1.2
109.60258	1.0
110.09594	4.2
111.08073	1.4
112.03888	7.1
113.04184	11.4
114.03707	1.5
115.05705	1.4
116.01638	41.8
119.08561	2.1
121.10078	6.1
122.05980	1.2
122.09628	4.8
123.08039	4.6
123.10374	1.3
127.05742	1.5
129.06528	4.9
130.04956	11.5
130.06798	6.9
130.08563	1.2
131.08524	9.1
133.10078	4.0
135.08022	1.5
135.11626	1.5
139.05693	2.3
142.03172	2.4
143.02728	2.2
144.01105	13.1
145.10094	1.8
147.04353	4.2
149.09496	7.1
156.08359	26.1
156.10133	12.8
157.06770	11.8
159.28473	1.1
161.13205	1.2
162.02136	29.0
163.07469	4.6
163.11073	1.9
167.10602	1.4
170.02646	1.5
173.13304	1.1
174.09387	9.4
179.04816	6.3
181.04863	1.6
191.10609	2.0
191.14159	1.3
207.13725	4.5
208.14114	4.2
209.08041	10.9
209.11661	6.2
210.11151	1.7
216.06857	5.4
225.14880	1.5
227.09085	1.5
227.12637	1.2
233.05783	1.2
259.11014	100.0
277.11966	1.3
285.12405	1.9
288.75912	1.1
304.78418	1.0
313.11844	1.8
317.96884	1.0
331.13364	7.3
406.16162	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	405.2111
Annotation	Ascleposide A
Peak:m/z	Relative Intensity
51.40480	1.2
53.03932	1.3
54.22963	1.2
54.81642	1.6
55.01860	12.2
55.05499	11.7
57.07054	2.2
59.04989	3.2
60.56154	1.4
67.05488	13.9
69.03414	3.2
69.07043	11.9
71.04964	6.2
79.05463	17.0
80.02119	1.3
81.07030	63.6
83.04958	6.2
83.08609	7.8
85.02893	2.2
85.06533	6.1
87.04420	1.7
91.05444	13.1
93.07011	94.0
95.04927	16.8
95.08570	17.8
97.06496	32.0
99.08064	2.1
105.06371	2.3
105.06999	24.5
107.04919	1.5
107.08569	54.6
109.06493	21.3
109.10144	8.1
111.08052	32.1
119.08554	12.8
120.74946	1.6
121.06461	3.4
121.10133	11.8
123.08051	7.3
123.11668	51.1
125.09605	6.1
127.07462	2.0
133.10081	3.3
135.08018	21.3
137.13245	8.9
147.04375	3.4
147.08076	3.0
147.11662	35.8
161.13168	2.8
165.12697	51.5
169.08582	10.2
170.26718	1.5
171.11691	3.8
181.04958	1.9
183.13759	100.0
189.12753	8.4
207.13730	35.5
225.10139	3.3
225.14787	68.0
239.11601	1.9
243.15828	15.7
245.32568	1.6
267.11240	3.0
267.69208	1.6
275.33115	1.4
307.38519	1.5
313.11816	6.6
318.62000	1.6
369.77390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	18.7
59.53991	2.1
61.90586	2.2
64.40749	2.1
67.05475	16.8
69.07042	25.9
71.04946	4.6
71.08604	22.2
71.42522	2.2
81.07004	4.7
83.08591	11.4
85.78703	2.3
91.05468	3.0
95.08601	3.2
105.06944	3.0
107.08547	4.8
109.10121	68.4
119.08570	2.6
121.02834	10.6
127.11144	64.0
136.81711	2.6
145.55527	2.4
149.02296	100.0
206.77094	2.5
234.71823	3.4
405.35117	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	404.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01866	1.1
55.05491	6.3
59.04965	4.8
66.09396	1.1
67.05474	4.8
69.03400	4.8
69.07040	1.8
71.04980	2.0
79.05475	6.3
81.03400	1.6
81.07027	13.0
83.04959	4.9
85.02876	44.8
85.06522	1.8
91.05458	10.8
93.07008	9.5
95.04942	4.8
95.08558	8.6
96.41473	1.1
97.02871	2.1
97.06570	1.8
98.72077	1.4
99.04395	1.2
105.06998	37.9
107.08559	28.2
109.02879	1.6
109.06486	7.9
109.10126	6.8
109.32586	1.3
117.06940	2.5
119.04900	1.3
119.08535	42.7
121.06454	1.5
121.10088	26.9
123.08009	14.2
123.11662	22.2
125.05990	1.6
125.09618	2.1
126.74336	1.4
127.78440	1.3
128.06166	2.1
129.06949	6.8
130.07738	1.8
131.08525	20.2
133.06432	1.9
133.10095	8.8
135.08014	26.0
135.11639	7.9
137.09593	5.2
143.08530	16.5
145.06387	1.6
145.10066	19.3
147.04367	2.8
147.08009	25.2
147.11649	36.2
149.09592	28.0
156.09294	30.3
159.11612	3.0
161.09608	4.9
161.13197	10.7
163.11160	4.7
165.09036	5.3
165.12732	2.8
171.11618	38.2
171.13017	1.8
174.10437	2.5
178.11679	1.1
189.12675	33.5
207.13737	100.0
242.05542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06779	0.2
55.01840	0.3
57.03410	0.3
58.74292	0.2
61.02892	0.4
67.05472	1.2
69.03400	1.9
69.07059	0.3
69.58710	0.3
79.05460	1.1
81.07028	1.2
83.04949	2.7
83.32951	0.3
85.02867	5.1
91.05447	0.4
93.07014	2.1
95.04922	1.5
95.08564	3.1
97.02848	1.2
97.06490	2.2
99.04397	0.3
105.06994	1.6
107.08556	1.9
109.02901	0.3
109.06489	1.9
109.10102	0.4
111.04385	1.0
111.08069	0.3
113.22549	0.2
119.08537	1.2
121.06472	1.1
121.10096	5.8
121.72578	0.2
123.08018	100.0
127.03848	0.5
133.10094	0.4
135.11661	1.3
137.09506	0.4
145.04866	0.4
145.10062	0.5
147.11638	0.6
149.09595	2.3
151.11125	2.8
156.09322	0.3
161.13139	0.4
163.11115	2.1
165.12724	0.6
167.10614	3.3
181.12160	4.1
189.12724	1.4
207.13745	3.2
225.14784	10.6
327.09375	0.3
345.10458	0.3
363.20969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73485	1.4
55.05481	8.9
57.07050	3.0
64.72622	1.4
67.05473	11.1
68.79485	1.3
69.03412	3.8
69.07027	3.0
71.04921	1.6
71.71822	1.2
73.02493	1.2
73.02906	1.4
79.05457	7.8
81.07024	22.4
83.04959	2.6
83.08556	1.5
85.02875	81.9
85.06528	3.5
89.28201	1.6
91.05447	17.7
92.09422	2.2
93.07020	12.6
95.04917	2.4
95.08571	37.6
98.97527	2.2
103.05428	3.0
105.06995	66.0
107.08560	21.9
109.06488	19.5
109.10123	9.4
117.06960	7.8
119.08537	77.9
121.06458	1.7
121.10099	25.3
123.08034	18.3
123.10803	2.6
123.11662	64.5
125.05964	8.5
128.66338	1.6
130.07768	3.0
131.08519	7.2
133.06438	7.9
133.10095	2.1
135.11624	3.1
139.02139	1.6
141.06871	1.8
143.08568	2.7
145.10069	21.5
146.10823	1.7
147.08029	3.4
147.11649	89.0
149.09547	13.3
151.07486	8.5
156.09285	9.4
158.69695	1.4
159.07860	1.4
161.13141	2.3
163.03777	2.0
163.11154	12.0
165.12698	3.6
171.11610	5.6
174.10280	3.3
189.12677	68.1
189.14281	3.2
207.13745	100.0
219.47957	1.5
225.14758	10.2
264.06842	1.7
356.01480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
53.03928	0.3
55.05499	0.2
56.96554	1.4
57.03410	0.3
58.78741	0.1
61.02896	0.7
65.69611	0.1
68.25858	0.2
69.03406	1.7
71.04942	0.2
73.02863	0.3
79.74639	0.2
81.03377	0.2
81.44684	0.2
83.04942	0.2
84.96006	0.3
85.02869	2.2
85.06487	0.2
86.09681	0.7
87.04424	0.3
89.03859	0.1
91.05451	2.0
93.07008	4.3
95.04922	1.0
97.02854	1.0
98.97542	4.1
103.05428	2.3
110.97507	0.3
111.04401	0.3
116.98595	2.8
117.03331	0.3
119.01851	0.2
119.04921	0.2
121.06459	100.0
122.06807	0.3
123.04378	0.9
127.03848	0.8
128.98560	1.1
131.00142	0.2
132.10124	0.3
134.99591	1.3
135.04440	0.2
136.06125	0.3
137.02242	0.2
137.04514	0.2
138.09093	15.9
139.03893	0.2
139.36891	0.1
143.00107	0.3
143.01874	0.2
145.02725	0.2
146.99564	0.6
147.04297	1.2
149.01221	0.2
158.99583	1.0
159.03049	0.2
161.01178	0.7
163.03830	1.2
168.03568	0.2
174.99042	0.2
175.02702	0.2
175.04396	0.2
177.00665	0.9
177.05437	0.9
187.02280	0.2
191.03909	0.2
213.00511	0.2
219.01729	1.1
237.02725	2.5
239.04283	0.2
248.99045	0.7
249.55499	0.2
260.98560	0.2
261.02609	0.3
267.00073	0.2
279.03787	0.9
351.09006	0.3
394.17978	0.2
404.08496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
53.64027	0.5
55.01858	0.9
56.35925	0.6
57.03414	2.2
59.04983	0.5
61.02900	3.9
65.03908	0.9
67.04225	1.0
69.03409	7.4
69.07047	1.3
73.02876	1.0
81.03381	2.3
82.06552	9.1
84.08102	1.0
85.02370	1.2
85.02873	26.3
86.09668	7.6
91.03896	2.3
91.05442	19.3
95.04932	1.2
97.02856	5.7
99.04415	0.6
100.07582	3.3
103.05439	3.0
112.07632	0.7
118.04108	1.0
119.04903	40.5
119.08572	0.7
121.06441	1.1
123.04405	1.3
124.02076	0.7
124.29282	0.6
127.03870	3.1
131.04803	0.6
132.02003	0.8
133.06505	0.7
135.04416	0.6
136.07521	1.1
145.04918	3.0
147.03198	1.1
147.04361	31.5
147.05492	1.2
149.02280	1.4
150.03622	0.8
157.03889	3.1
159.04396	0.9
164.04617	2.4
167.06941	0.7
172.08745	2.3
174.03084	1.0
175.03844	53.9
179.06975	3.9
180.08607	2.2
192.04121	19.1
193.04845	2.3
195.14864	0.9
200.10695	1.0
207.06461	100.0
210.05156	0.9
225.07509	31.8
243.80473	0.6
246.11116	2.6
263.13892	1.0
359.19431	0.8
376.22348	1.0
387.19205	1.1
404.21609	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	404.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34683	0.2
51.63985	0.2
53.62119	0.2
55.05488	0.4
56.96534	0.2
57.03420	0.4
62.10806	0.2
65.03919	0.5
67.05482	0.6
67.66645	0.2
69.03409	1.8
73.06514	1.0
75.02668	0.3
76.31207	0.2
78.26273	0.2
83.04948	3.5
83.79375	0.2
85.02863	1.9
87.04432	0.4
89.03883	3.9
91.05446	0.4
93.03349	0.4
95.04897	0.3
95.31786	0.3
97.02859	0.4
98.97551	0.5
111.04416	2.9
116.98595	0.3
117.03345	16.1
117.04177	0.5
119.04899	0.3
125.05984	1.0
133.04913	0.4
134.03586	1.0
135.04373	1.4
137.05951	0.5
139.03833	0.4
145.02806	61.1
149.05930	7.3
149.74721	0.3
153.05466	2.4
162.03047	0.3
163.03831	2.2
177.05408	100.0
178.05736	0.3
195.06380	0.4
224.03699	1.1
225.77917	0.2
250.38409	0.3
287.10938	0.5
299.21338	0.3
365.05377	0.3
369.11450	1.6
404.15427	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.9
55.01842	1.9
57.03411	2.6
60.04475	0.6
61.02908	3.7
65.03909	0.9
66.38958	0.4
69.03406	6.4
71.04950	0.8
73.02873	1.0
77.03870	0.4
81.03391	4.0
81.87643	0.4
83.04932	0.8
85.02876	25.5
87.04438	0.9
89.03882	0.7
91.03913	1.0
91.05450	21.1
95.04926	0.9
97.02860	7.8
99.04405	1.5
103.05423	2.4
107.04925	0.7
109.02849	2.2
115.05505	0.5
118.04110	1.8
119.04900	38.8
121.06435	1.0
123.04373	1.0
124.02098	0.9
127.03851	3.5
131.04845	0.8
132.02022	0.8
133.02849	0.5
135.04353	2.7
137.05876	0.8
145.02788	2.6
145.04939	2.2
146.03612	0.5
147.04372	37.8
149.02301	1.7
149.05936	0.6
150.03668	0.8
157.03915	3.1
159.04364	4.0
163.02719	0.7
163.03870	11.1
164.04607	3.1
171.04419	0.6
174.03136	0.6
175.03844	56.7
177.01770	0.5
179.06978	3.1
180.08560	3.2
189.05336	0.7
192.02338	0.6
192.04108	18.3
193.04848	2.3
193.06718	0.4
207.06465	100.0
208.06831	0.5
210.05238	0.6
225.07513	33.0
225.14966	0.4
269.80478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99804	0.6
53.03934	1.2
55.01854	1.4
55.05494	3.0
57.03418	3.8
59.04986	0.6
60.04494	0.9
61.02897	3.9
67.05503	0.8
69.03413	8.4
73.02896	2.6
81.03385	4.9
81.07029	6.5
83.08590	2.5
85.02877	50.2
87.04435	7.1
89.05996	1.3
91.03919	1.6
91.05447	43.2
92.08632	1.2
93.06985	1.2
95.08576	1.5
97.02850	7.0
99.04440	1.3
103.03911	3.3
103.05418	0.9
104.04241	0.7
105.06999	4.6
107.08569	1.0
109.02853	3.9
109.10130	3.1
115.03902	8.1
119.04905	41.0
119.08530	3.4
121.10129	3.2
123.08027	1.0
123.11670	20.9
125.05975	1.3
127.03883	7.9
127.37012	0.7
132.02078	1.0
133.04900	1.5
135.04404	0.8
137.05949	3.3
145.02817	1.3
145.04909	7.1
145.10068	1.0
147.04376	34.3
147.11687	3.4
149.02342	1.3
149.09607	1.4
151.07532	0.9
157.03932	3.2
163.03876	5.0
163.05917	0.9
164.04689	4.7
167.07004	0.8
175.03853	61.8
177.01703	0.7
179.06975	3.2
189.12660	4.6
192.04118	21.3
193.08511	5.7
207.06468	100.0
207.13785	9.8
211.09625	0.9
225.07498	29.7
225.14684	3.0
259.07858	0.9
352.48221	0.7
370.90851	0.8
404.19781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47155	5.8
54.80799	9.7
55.05492	8.9
55.48454	5.5
67.05463	40.3
69.03387	12.7
69.07027	29.6
78.05560	6.0
79.05445	31.0
79.73631	7.4
81.07020	59.7
83.04962	6.0
83.08556	9.7
83.61441	6.3
91.05439	31.7
92.09425	7.4
93.07005	64.0
95.04935	14.7
95.08566	100.0
105.06997	68.0
107.08540	90.8
109.10123	44.4
119.08510	70.7
121.06448	9.6
121.10100	60.2
123.11628	10.3
131.08492	16.6
133.10115	70.5
135.11642	35.1
135.50011	8.1
145.10062	33.4
147.11633	16.8
149.13185	9.2
159.11604	30.1
161.13170	32.9
163.14763	13.3
173.13098	11.4
179.14288	7.7
187.14690	9.4
189.16338	14.9
190.59946	6.9
191.17833	28.4
194.87883	9.5
201.16315	12.9
203.17787	11.0
367.29816	49.3
385.30643	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	404.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27329	0.1
54.81261	0.2
57.03186	0.2
57.03416	3.0
65.03917	0.3
69.03403	0.4
71.01312	0.2
71.33573	0.2
73.02880	1.3
75.04446	2.0
85.02866	3.5
91.05439	100.0
92.05773	0.5
95.01295	2.9
97.02845	0.3
99.00757	0.2
101.02406	0.2
103.03880	0.3
104.48518	0.2
105.06996	0.5
113.02336	1.4
119.04900	0.5
119.08563	0.4
131.03343	0.5
133.30663	0.2
137.05934	4.6
137.09581	0.4
141.01775	4.5
147.11620	0.3
151.32321	0.2
161.13203	0.3
167.07002	1.2
193.08533	26.9
207.13805	0.3
211.09576	11.4
211.11588	0.4
285.03799	0.2
318.42435	0.2
351.10916	0.2
369.11697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.01847	2.5
55.05495	3.1
56.96545	2.6
57.03420	1.2
57.07049	1.1
59.04975	0.8
60.30157	0.6
61.02917	0.8
67.05487	5.8
69.03410	9.5
69.07045	3.7
71.04946	1.0
72.08145	0.7
77.03887	0.9
79.05453	3.3
81.03377	2.6
81.07027	3.1
82.98981	0.7
83.04956	12.5
83.08579	1.4
85.02885	8.8
85.06525	3.2
86.09686	2.8
89.03895	1.1
91.05447	20.4
93.07008	84.6
93.70081	0.6
95.04936	13.9
95.08559	4.4
97.02869	3.2
97.06493	4.4
99.04454	1.4
103.05434	2.9
105.04485	1.3
105.07011	6.7
107.04951	1.6
107.08576	4.6
109.06513	4.6
109.10105	5.4
111.04396	1.2
111.08047	3.1
113.05983	0.8
115.05439	0.8
117.03313	1.4
117.06993	3.8
119.08550	3.9
121.02806	1.1
121.06462	100.0
121.10109	4.2
123.04411	1.2
123.08062	1.3
125.05968	1.3
127.03876	0.9
127.07523	8.6
131.04849	1.1
131.08517	3.2
133.06454	0.7
133.10117	2.6
135.04378	5.8
135.08005	2.6
135.11649	3.0
137.09587	4.6
139.03844	0.8
139.07524	3.2
143.00136	0.8
145.02823	2.7
145.06497	0.8
145.10085	2.9
147.04376	0.8
147.08031	2.8
149.05984	1.1
149.09567	4.9
149.13171	0.7
153.09064	1.3
155.10689	1.2
157.10115	1.2
159.11650	10.1
161.05954	1.0
163.03831	12.6
163.11142	3.3
164.04230	1.2
165.09033	4.6
167.06985	13.9
168.07323	0.8
172.08752	0.8
175.11182	2.3
177.12724	3.9
179.10631	0.6
187.03865	1.0
187.11104	4.2
189.00600	0.7
193.04930	1.3
193.12215	0.6
194.05299	2.9
205.12169	34.7
223.13193	17.6
241.14186	2.2
252.97818	0.8
310.64093	0.7
401.78299	0.8
403.11609	5.8
403.19409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80579	0.7
54.81074	1.0
55.01847	5.7
55.05487	1.3
56.96525	1.0
57.03389	0.9
61.02917	1.0
65.03906	1.0
67.05495	1.2
67.27321	0.9
68.72601	0.9
68.99763	1.4
69.03414	3.6
77.22887	0.9
79.05456	2.3
81.03374	2.1
81.07026	1.7
82.10391	0.9
83.04983	1.1
85.02864	2.3
91.05451	4.6
93.06997	2.2
95.04934	2.0
95.08558	0.9
98.97551	1.2
99.04401	1.2
105.07021	1.5
107.04874	1.4
107.08579	1.5
111.04388	2.0
111.17355	1.0
113.05994	1.0
116.98544	1.0
119.04905	7.8
119.08525	4.4
121.02832	26.6
121.10134	1.0
123.08022	5.2
131.04860	5.0
131.08521	1.7
135.04338	1.5
135.11662	1.2
137.02295	1.8
141.01764	3.9
145.02788	9.8
147.04405	1.3
149.02266	1.5
153.05447	1.5
159.07982	3.9
161.09483	1.2
163.03862	10.9
165.01785	23.4
167.03342	3.8
167.06947	1.7
173.05875	1.3
175.03893	1.8
179.03325	3.4
181.04875	3.7
181.81419	0.9
183.02827	13.0
187.03827	1.8
187.07466	1.9
191.03314	1.2
193.04868	1.1
195.02933	1.6
201.05438	4.7
203.03363	6.7
207.02705	1.6
209.04613	1.0
221.04361	4.4
229.04915	3.8
231.02817	1.9
249.03824	2.0
267.06372	7.2
270.05142	4.4
271.05887	5.9
273.03812	1.2
279.06445	4.6
281.07968	17.7
283.05914	100.0
284.06592	12.6
293.07986	8.8
295.05948	14.6
297.07440	21.4
301.05865	3.4
305.07870	1.9
307.05893	6.6
309.03876	1.5
309.07449	42.4
311.09021	3.8
313.06964	45.9
321.07455	53.7
325.07019	12.0
327.07370	1.8
337.06952	46.6
339.08423	4.4
349.06958	36.4
355.07013	1.4
367.07999	65.9
385.08780	10.2
403.09940	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	403.1016
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
52.71296	0.7
55.01854	6.3
56.86309	0.6
67.05463	0.8
68.99770	1.8
69.03397	0.9
71.04940	0.9
79.05482	1.0
81.03400	0.9
81.07028	1.3
91.05415	1.0
92.99753	0.8
93.07021	0.9
97.02819	1.2
107.04942	1.8
111.04467	0.9
119.04899	8.3
121.02834	25.2
131.04871	1.9
133.02899	0.8
135.04402	1.3
137.02397	0.8
141.01781	1.4
145.02791	7.7
147.04424	1.2
149.02271	1.0
153.05463	0.9
161.02354	0.8
163.03883	9.3
165.01778	21.6
167.03293	4.7
167.07007	3.3
169.02916	1.2
175.03841	1.6
178.89021	0.7
179.03343	3.5
181.04910	1.6
183.02814	8.9
187.03857	3.6
189.01784	1.2
191.03363	3.1
193.04898	2.7
195.02872	1.1
203.03296	8.3
207.02856	1.4
221.04401	1.9
229.04893	4.3
231.02792	1.1
239.06984	0.8
249.03940	1.3
255.06418	1.6
256.07343	0.9
267.06418	6.9
270.05170	1.9
271.05948	7.1
279.06396	6.6
281.07922	15.8
283.05893	100.0
284.06674	11.1
293.07870	6.8
295.05911	15.0
297.04242	1.5
297.07434	17.1
307.05911	7.2
309.04196	1.7
309.07465	44.9
311.08920	5.8
313.06976	42.0
320.06567	0.8
321.07474	53.0
325.06921	10.0
337.06934	50.3
339.08453	4.9
349.06940	34.3
367.07996	60.1
385.09103	8.0
403.10065	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	403.1014
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01866	5.8
61.33310	1.6
65.03878	1.9
68.99767	2.3
69.32440	1.4
70.95120	1.7
74.12740	1.4
119.04878	7.3
121.02835	24.6
123.07040	1.5
145.02779	3.7
163.03810	7.6
165.01804	15.6
175.03882	2.1
179.03297	3.1
183.02834	7.5
203.03407	2.8
205.04950	1.8
231.02632	2.9
255.06485	7.1
256.07156	3.8
267.06406	9.2
270.04968	2.4
271.05887	3.0
279.06235	2.2
281.08029	12.3
283.05908	100.0
284.06659	31.6
293.08011	6.6
295.05936	17.4
297.07437	33.5
307.05896	4.0
309.07458	36.1
311.08945	6.3
313.06982	64.5
321.07391	41.9
325.07001	10.5
337.06927	51.4
339.08466	7.7
343.07990	3.5
349.06934	33.6
367.07947	73.2
385.09085	18.7
403.10110	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1012
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01854	6.0
55.90017	0.6
61.02906	1.3
64.32231	0.6
68.07084	0.6
68.99754	1.3
69.03390	1.0
74.19946	0.6
79.05474	1.1
81.03384	1.0
81.07016	1.6
85.02857	5.1
91.05457	1.3
92.08685	0.9
92.99759	0.6
93.07019	1.1
95.04928	0.8
95.08566	1.6
97.02838	1.3
98.03197	0.7
105.07000	0.6
107.04909	1.2
107.08597	1.2
110.60299	0.6
111.04375	0.9
119.04877	6.9
119.08542	1.6
121.02812	21.8
121.03680	1.1
131.04895	1.4
141.01813	2.8
145.01878	0.6
145.02820	7.1
147.04361	1.6
149.02274	2.6
161.02289	0.7
163.03842	7.7
165.01773	23.9
167.03270	4.9
167.07037	0.6
169.02811	0.7
175.03876	3.9
177.01817	1.3
177.07672	0.7
179.03302	5.3
181.04912	1.0
183.02844	10.6
187.03828	2.7
191.03380	2.8
193.04865	1.4
194.66383	0.6
195.02751	2.4
202.95871	0.7
203.03300	6.7
207.02798	1.2
220.78923	0.6
221.04382	2.7
229.04968	3.8
231.02943	2.3
239.06953	1.5
249.03888	2.5
255.06427	1.6
256.07208	1.2
263.31561	0.7
267.06378	11.4
270.05112	4.8
271.05820	5.8
273.03909	1.1
279.06454	3.9
281.04895	1.3
281.07928	10.9
283.05899	100.0
284.06668	18.0
285.07446	1.0
293.07925	7.9
295.05872	16.8
297.04379	1.0
297.07449	21.7
305.08139	1.3
307.05875	5.4
308.06613	1.1
309.03970	1.2
309.07428	29.0
311.05777	0.9
311.08926	5.8
313.06934	59.0
321.03595	1.6
321.07431	47.8
325.06964	8.8
337.06927	32.6
339.08591	4.1
349.06946	34.9
367.07974	64.3
385.08966	13.8
403.10107	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	402.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.05495	78.7
58.54945	1.1
58.99554	2.7
59.04984	9.9
69.03386	2.1
70.06567	16.4
73.02881	1.9
73.06493	1.4
77.00587	8.1
83.08589	100.0
85.02880	12.2
86.09661	7.7
86.99020	5.4
87.04436	40.0
89.00610	5.3
89.05467	2.5
89.06000	70.0
91.05426	2.6
92.09338	1.2
93.52935	1.5
97.02847	6.0
101.09634	11.6
103.03906	92.0
103.07501	2.0
105.00028	5.1
107.07014	3.1
115.03888	1.5
126.74884	1.4
131.06981	9.0
133.08545	21.5
135.04413	1.3
144.74030	1.4
147.06471	2.3
150.31291	1.5
159.08330	5.3
175.09563	1.7
177.11166	10.0
181.74684	1.2
191.09119	2.3
205.08865	24.6
223.09888	27.6
229.15433	1.9
235.11684	2.7
252.10696	1.3
313.06879	1.2
339.20041	1.6
385.20526	23.4
402.17963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17004	0.7
53.33744	0.8
54.41821	0.9
55.01849	2.6
56.96543	4.5
57.03148	1.9
57.03418	35.0
59.04982	14.6
60.04510	0.9
61.02907	4.7
69.03403	73.0
71.01310	1.8
71.04973	1.2
73.02890	28.2
73.06527	100.0
75.04453	2.1
81.03383	2.3
83.04958	1.1
85.02875	81.4
87.04440	42.7
90.94061	1.1
91.07561	17.3
97.02856	65.0
98.97584	1.2
99.73766	0.9
103.03916	1.5
109.02868	5.6
111.04397	2.2
115.03062	1.9
115.03890	60.0
123.04429	1.1
127.03886	10.2
130.06468	1.3
131.04875	1.5
133.04918	41.7
133.06494	1.7
139.03896	2.1
143.00116	1.3
145.04926	7.8
150.07582	1.4
163.03856	5.7
163.05977	2.0
187.03903	1.8
189.00557	3.6
191.06982	1.5
196.49098	1.2
205.06699	1.3
219.01486	1.3
219.06519	1.3
223.11772	2.4
231.01804	1.5
244.23186	1.1
247.35661	1.0
249.02769	2.4
249.05508	1.2
253.12691	7.3
259.07986	2.3
269.08008	2.2
275.09155	4.3
295.05890	6.0
295.09970	1.8
313.06815	1.2
327.03503	1.3
337.08948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80460	1.2
55.01852	7.3
57.03416	2.1
61.02896	7.3
68.99778	1.5
69.46516	1.1
79.05457	1.2
83.01297	2.2
83.04939	5.6
85.02863	1.7
89.03874	1.9
95.04936	1.9
101.82668	1.4
103.05431	6.9
105.06947	2.1
111.04397	2.5
115.05401	2.1
117.03324	5.8
117.06952	1.8
118.04115	1.9
119.03366	6.5
119.04866	1.5
121.02780	1.5
123.04378	2.3
129.06929	3.1
130.04039	1.5
131.04872	29.1
133.06453	2.9
135.04343	8.4
137.02261	1.4
139.03825	3.4
141.06961	12.5
143.03333	6.9
143.04836	2.1
144.05701	1.8
145.02817	3.1
145.06454	7.3
147.04373	1.9
148.05161	1.5
149.05952	1.8
155.03397	1.7
157.02782	3.1
157.06438	7.5
159.04373	7.2
159.07990	3.4
160.05119	2.5
161.05959	13.6
161.07147	1.9
163.03851	20.4
165.05457	1.9
167.06946	5.4
168.05663	2.5
169.06435	19.0
171.04384	7.5
173.05923	7.6
174.03012	2.0
175.03867	2.4
175.07483	1.6
176.04594	6.0
177.05389	3.2
180.07726	10.6
181.04865	3.1
185.02451	1.4
185.05896	3.0
186.06725	7.0
187.03853	18.0
187.07471	6.7
188.04733	1.6
189.01833	3.1
189.05403	17.0
190.06241	1.9
190.55481	1.3
191.06963	37.7
193.04881	5.6
193.08554	3.4
197.05965	12.5
199.03775	2.3
200.04538	2.4
201.05467	2.6
201.08986	3.3
203.03186	2.1
203.07019	2.4
204.04134	23.2
204.07793	3.3
205.08536	5.5
207.06467	2.5
211.07535	2.0
213.05431	5.4
214.06172	7.4
215.06985	22.9
216.04175	1.7
217.04907	13.1
217.08488	5.4
218.05672	6.9
219.06456	24.3
221.08112	1.9
225.05400	1.6
229.05070	2.1
229.08374	9.9
231.06438	6.9
232.07149	2.2
233.07985	5.4
235.05789	2.3
242.05646	5.1
243.06473	14.3
245.04289	13.9
245.07999	9.0
247.09584	11.1
249.07419	2.1
251.00485	1.4
252.97789	2.6
257.07996	12.5
260.06689	31.7
262.04654	2.9
263.05328	1.7
273.07526	3.2
275.09024	100.0
277.07047	20.0
287.05380	11.2
301.06827	2.0
319.08090	21.8
337.09045	50.0
355.10281	2.8
385.11481	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91779	1.0
55.01852	6.0
57.03405	1.8
61.02892	5.2
67.05502	1.5
69.03407	1.1
80.02546	1.2
83.04917	1.5
85.02853	1.4
87.00804	1.8
89.03876	1.9
89.28676	1.3
89.48676	1.3
91.05405	1.6
92.09366	1.6
97.02893	1.3
101.02338	2.2
103.05420	8.1
107.04906	1.8
107.94243	1.3
111.04411	5.6
115.05414	3.1
117.03326	2.4
118.04102	5.5
119.03367	8.0
119.04906	2.4
129.06967	2.1
131.04872	31.6
131.08513	1.5
133.06459	6.1
135.04369	9.5
139.03812	3.3
141.06955	9.3
143.03410	5.5
143.04785	2.1
144.05685	1.7
145.02800	2.5
145.06433	3.3
146.03568	2.7
147.04349	5.2
149.05827	1.7
154.06181	1.7
155.03351	2.1
155.04843	2.7
157.02794	3.3
157.06429	8.3
158.07172	1.6
159.04367	7.5
159.07968	2.7
160.05086	2.6
161.05925	16.9
163.03828	16.7
165.05463	2.3
167.06970	6.3
168.05728	1.6
169.06444	17.5
171.04315	5.0
172.05151	1.7
173.05902	7.6
175.03860	7.7
175.07497	2.7
176.04597	5.8
177.05380	6.1
180.07808	11.7
181.04822	2.0
183.04315	1.3
185.05917	7.1
186.06703	8.1
187.03839	17.0
187.07515	7.7
189.01698	5.7
189.05434	15.7
190.06187	4.9
191.06953	40.3
192.07738	1.6
193.04938	2.9
193.08586	5.4
196.05139	3.1
197.05922	16.0
199.03864	2.1
200.04634	2.9
201.05464	2.3
201.09126	6.3
203.06961	7.3
204.04109	22.9
204.07726	2.3
205.04898	1.8
205.08566	6.8
207.06424	5.3
213.05353	5.1
214.06244	5.5
215.03424	1.6
215.06975	17.7
217.04889	7.6
217.08525	2.9
218.05652	3.3
219.06465	26.5
219.45847	1.5
221.08026	1.7
226.06346	1.6
229.04800	2.5
229.08549	13.7
231.02789	2.0
231.06445	8.2
233.08020	6.4
235.05937	3.2
241.04851	1.6
242.05591	6.3
243.06342	11.8
245.04347	11.2
245.07997	6.8
247.09537	14.6
249.07477	6.8
257.08008	16.4
260.06647	33.9
261.07147	1.7
262.04639	5.7
263.05453	2.5
273.07339	6.2
275.09024	100.0
277.06879	18.1
287.05325	10.5
291.08304	1.5
295.06110	2.3
301.06952	6.7
319.08060	27.5
337.09052	44.3
407.68167	1.4
426.41885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61425	3.6
55.05502	68.2
57.07062	4.3
58.52909	3.6
67.05486	45.9
69.07042	100.0
69.66955	4.8
79.05452	25.2
80.22034	4.2
81.07025	78.9
83.08570	18.6
85.06512	72.6
91.05437	19.2
93.07002	44.4
95.08572	88.8
97.04337	4.1
97.10129	8.8
97.49638	4.4
100.02432	3.9
105.06998	38.2
107.08561	68.6
109.10117	53.4
117.06967	9.0
119.08552	71.9
121.10091	56.2
123.11672	32.2
129.06952	7.9
131.08533	34.1
133.10104	40.3
135.11656	43.7
137.13208	8.1
143.08510	20.9
145.10112	48.0
147.11684	46.8
149.13185	18.3
157.10028	21.8
159.11642	50.8
161.13168	45.1
163.14746	18.0
171.11627	22.8
173.13228	41.4
175.14772	10.9
185.13216	22.4
187.14787	41.6
189.16350	10.2
199.14687	29.2
201.16286	18.6
203.17880	5.5
213.16280	19.4
214.17049	5.1
215.17853	33.2
227.17847	29.5
229.19423	41.6
241.19370	17.9
247.20380	7.9
255.20985	22.1
269.22592	75.2
273.22089	6.5
279.23535	5.5
287.23627	48.5
297.25638	24.6
315.26672	26.5
383.32803	55.3
401.34073	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2524
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
55.05486	8.7
56.39880	1.4
56.96542	1.8
67.05476	8.4
69.07029	11.6
71.04961	18.9
77.24760	1.5
79.05474	14.4
81.06551	3.4
81.07028	100.0
83.08591	2.1
83.36051	1.8
85.02873	7.6
85.06513	1.7
91.05426	9.6
93.07001	42.9
95.08566	22.5
97.06499	4.2
99.08039	2.2
105.07000	53.0
107.08553	45.3
107.99232	1.6
109.10113	28.7
113.09637	1.7
116.10862	1.7
117.06960	2.4
119.08539	88.0
121.10112	8.7
123.11670	9.6
127.11121	20.3
133.10080	17.7
135.11649	62.1
140.07848	1.6
145.10149	3.2
147.11623	18.3
149.02245	2.2
149.13173	3.5
157.10141	1.7
159.11713	2.1
161.13196	2.9
162.90688	1.8
203.17859	36.7
221.18933	47.7
304.68280	1.7
352.64029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.7
55.01845	1.7
55.05493	32.2
57.03415	6.7
57.07053	9.1
59.04968	3.3
60.18741	1.2
61.02893	1.9
61.62214	1.3
64.33291	1.3
65.03924	2.0
67.05489	19.1
69.03400	9.0
69.07034	23.9
71.01332	1.7
71.04968	29.2
73.02886	2.6
73.06535	1.9
79.05468	26.3
81.03401	2.2
81.07024	100.0
83.08595	14.3
85.02867	17.0
85.06503	3.1
86.56441	1.4
91.05444	22.3
92.08604	1.4
93.07009	58.9
95.04936	7.3
95.08569	47.9
97.02841	3.6
97.06481	2.2
97.10126	5.8
99.08032	5.7
105.06993	33.2
107.08558	87.5
109.02869	2.1
109.06488	2.8
109.10121	43.0
111.00242	1.7
111.11698	1.8
115.03884	1.5
117.06964	1.7
119.08535	42.6
121.10106	27.1
123.08033	2.2
123.11663	30.4
125.09571	13.0
127.11163	6.9
131.08542	7.4
133.04948	1.4
133.10085	33.2
135.11644	75.0
137.09541	2.8
137.13202	7.6
139.11108	2.0
141.12669	1.6
143.08487	2.3
143.10648	22.4
145.10071	11.3
147.11636	19.4
149.13197	12.0
151.11128	1.8
153.43024	1.3
157.10088	7.8
159.11620	11.0
161.13171	10.9
163.14746	8.8
171.11644	2.3
177.12801	1.6
177.16406	1.4
189.80830	1.5
203.17874	22.6
205.19476	6.3
221.18947	16.0
223.20514	1.7
225.12599	1.5
233.18996	2.0
239.20082	1.6
240.27373	1.5
315.08356	2.4
409.08487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.1
53.03928	1.8
55.05495	16.9
57.03413	4.8
57.07054	5.3
59.04970	1.2
64.03592	1.1
65.03922	1.3
65.22459	1.1
67.05486	11.9
69.03395	1.7
69.07034	15.6
71.04964	63.2
73.06512	5.9
79.05466	29.6
81.07028	47.4
83.04935	2.6
83.08598	8.7
85.02871	14.5
85.06519	5.4
89.78777	1.2
91.05448	25.3
93.07013	41.0
95.04913	6.2
95.08575	39.3
96.23904	1.2
97.06511	8.7
97.10146	2.1
99.08060	12.6
105.07000	79.4
107.04909	12.6
107.07885	2.4
107.08563	43.3
109.06491	2.3
109.10118	27.3
111.08070	2.0
117.06956	5.1
119.08540	21.6
121.06434	1.8
121.10105	20.2
123.11664	6.5
124.05117	1.3
125.06083	1.3
125.09599	26.7
127.07517	5.3
127.11150	5.2
129.06978	2.7
131.08504	15.1
133.06387	1.4
133.10088	100.0
135.11633	5.6
138.70992	1.2
143.10628	21.7
145.06461	1.6
145.10092	15.5
147.11664	16.7
149.13206	24.0
151.03838	1.6
151.11218	2.6
156.05658	8.5
157.10114	2.0
159.08041	6.7
159.11671	12.1
161.13213	5.3
167.06993	17.7
167.14259	46.1
173.05986	1.5
181.04900	1.3
187.07391	1.5
201.16342	9.7
203.08466	1.6
208.05144	10.5
217.08559	9.9
219.08044	2.3
219.17378	35.1
236.04529	1.7
236.08138	1.7
237.18439	4.2
247.07425	6.8
248.08203	5.2
250.06146	1.5
253.60382	1.2
254.05595	5.3
262.09717	1.7
263.06827	1.6
263.10446	1.6
264.07693	1.8
269.07971	10.0
274.89716	1.3
278.05951	1.4
279.10010	1.7
281.07611	1.3
282.08786	4.7
292.07034	1.5
293.07944	2.2
307.09418	1.5
308.10379	2.4
315.08600	26.2
323.12628	1.7
328.09204	1.4
330.10913	19.4
337.10635	1.4
343.11673	2.7
353.09912	1.4
368.12155	1.8
371.14935	1.4
383.14749	13.1
401.15994	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	401.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	3.5
53.03921	11.5
53.72112	2.0
55.01843	10.2
55.05499	19.0
57.03413	20.0
57.07037	2.3
59.04963	2.7
61.02901	11.8
65.03911	2.2
67.05476	22.9
68.99765	14.1
69.03407	86.9
69.07045	43.6
70.03732	3.2
70.04086	2.1
71.01327	3.3
71.04974	24.7
71.62500	2.0
73.02885	23.2
79.05467	24.5
81.03391	45.3
81.07034	57.6
83.04938	4.2
83.08575	13.6
85.02877	100.0
86.03207	3.2
87.00789	25.0
87.04433	19.4
88.04804	2.7
90.11189	2.1
91.05451	27.6
93.07018	38.2
95.04922	20.6
95.08574	23.9
97.02864	56.4
97.06497	5.5
98.03189	2.7
99.04421	11.5
99.08051	8.8
102.22980	2.1
103.03923	12.3
105.01823	9.8
105.07005	27.4
107.04926	8.4
107.08562	29.1
109.02843	29.8
109.06480	50.1
109.10114	37.6
111.04409	5.2
115.03887	25.7
117.06987	11.2
118.63603	2.2
119.08547	33.4
120.89146	2.7
121.02791	4.8
121.06469	25.7
121.10095	10.8
122.03127	3.6
123.04379	3.7
123.08037	5.0
123.11662	12.9
127.03880	29.8
127.11137	3.5
128.06165	5.0
129.01779	4.8
129.06909	5.2
131.08557	17.7
133.04910	23.0
133.06398	5.1
133.10083	10.5
135.08037	4.6
135.11655	17.1
137.05975	2.9
137.09578	5.4
143.08490	9.0
145.04918	14.1
145.06407	2.8
145.10083	16.9
147.08020	11.3
147.11613	4.3
149.02289	5.2
151.11125	4.7
153.12723	10.5
155.08482	3.0
156.09288	2.9
159.02863	3.0
159.07991	4.5
159.11632	8.8
163.03716	2.4
163.05920	2.8
163.11099	2.8
165.12656	4.7
171.07965	2.8
173.09579	15.1
175.11037	2.8
177.01807	22.1
177.12636	17.2
178.02272	14.1
189.03862	3.3
191.10664	3.2
193.04869	9.3
195.13718	11.7
201.12527	3.0
209.04369	3.4
210.04794	9.0
219.13751	4.1
231.04793	3.6
237.14751	8.6
243.13699	3.8
261.14780	13.0
365.15674	4.5
383.16324	2.7
401.15222	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	401.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.4
53.03928	7.4
54.80931	1.4
55.01848	10.1
55.05498	19.3
56.96530	1.2
57.03415	10.1
57.07054	8.4
58.00647	1.3
59.04972	3.8
61.02905	6.2
62.94083	1.5
63.72076	1.4
67.05483	16.1
68.99742	2.4
69.03398	42.7
69.07042	23.7
71.04962	24.6
73.02882	6.8
73.06523	1.7
76.55186	1.5
79.05453	35.6
81.03384	18.5
81.07024	100.0
83.04948	9.0
83.08591	9.2
85.02869	51.7
85.06509	6.0
87.00796	21.5
87.04427	2.6
91.05426	19.3
93.07003	76.9
93.18235	1.5
95.04923	11.1
95.08567	45.4
97.02845	25.6
97.06493	6.9
98.97530	3.5
99.04399	5.7
99.08067	2.2
105.01834	10.7
105.06988	39.0
107.04910	13.3
107.08553	79.1
109.02827	15.6
109.06486	8.6
109.10120	23.2
109.95615	1.6
112.24220	1.4
115.03872	1.9
115.05429	3.1
117.06985	8.1
119.08535	36.3
119.72181	1.5
121.02790	2.6
121.06450	2.8
121.10088	17.7
123.04408	2.5
123.08030	9.1
123.11674	15.2
124.05125	1.5
125.09605	3.8
127.03842	20.9
127.11164	3.3
129.06935	1.8
131.08522	12.0
133.10094	21.6
135.08012	3.1
135.11639	65.4
137.05960	3.3
137.09607	2.6
137.13214	7.3
141.06984	2.0
142.07683	3.0
143.08542	6.4
143.10622	11.3
145.04962	3.3
145.06427	2.4
145.10088	12.6
147.08051	2.7
147.11618	15.6
149.13220	6.8
151.11105	3.1
153.01833	1.7
153.06963	2.3
153.12691	7.8
155.08537	5.4
157.10001	4.5
159.08028	6.7
159.11665	8.5
161.09663	2.1
161.13210	6.6
161.28624	1.7
163.11142	7.0
165.12686	6.9
167.06981	12.8
169.06525	1.8
173.09669	1.6
175.11180	3.4
177.12674	2.5
183.11606	1.9
193.12206	2.4
203.17928	9.6
208.05190	3.4
217.08598	3.2
219.13754	1.7
221.05775	1.8
221.18848	10.6
231.04860	3.7
231.08098	2.1
237.09135	1.5
241.26123	1.5
243.13705	2.7
247.07622	2.5
248.08203	3.0
250.63943	1.4
261.08966	1.5
261.14606	13.5
269.08057	8.8
276.07666	1.8
282.08688	2.1
291.10144	1.7
293.08185	1.5
297.17416	1.8
299.05576	1.9
315.08545	16.3
321.16684	1.9
330.10760	12.0
343.11768	2.2
347.14856	7.0
365.15930	6.9
383.14972	3.4
401.08444	7.5
401.16077	2.5
401.28726	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	401.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25641	0.3
54.98880	0.3
55.73392	0.3
56.96548	7.9
57.54170	0.3
71.95233	0.9
76.78616	0.3
90.88179	0.3
98.97541	100.0
99.97916	0.7
107.53690	0.4
110.39810	0.4
116.98579	84.0
117.98939	0.5
118.98957	0.5
130.93117	0.4
134.99605	49.8
140.00165	0.8
153.00650	9.2
158.01309	0.5
190.95332	0.7
192.98567	0.4
208.96480	0.6
216.98729	0.6
219.01779	0.6
232.96278	0.9
234.99727	2.4
240.98520	3.3
250.97459	1.7
256.96365	0.9
258.99646	38.5
259.99915	0.8
260.99832	0.5
261.03043	0.7
274.97452	10.6
275.97836	0.7
277.00705	92.3
278.00888	2.2
279.00854	1.9
284.99872	1.9
292.98444	10.6
293.99097	0.8
294.98431	0.7
295.01788	2.3
300.02301	1.7
301.01016	0.8
302.01065	0.8
303.00775	5.2
310.99734	0.5
316.98886	0.6
324.07285	0.4
359.03326	1.6
382.99551	1.8
401.00815	12.6
419.01752	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09204	0.6
53.03919	1.6
53.71835	0.7
54.07283	0.6
55.01850	4.0
55.05481	0.8
56.83007	0.6
57.03148	1.3
57.03420	33.5
59.04979	0.8
61.02907	15.5
61.69567	0.6
65.03923	1.3
67.05481	1.5
68.99763	7.6
69.03406	38.9
69.07065	0.9
71.01324	4.6
73.02886	69.2
81.03373	9.8
81.07012	0.9
83.01282	0.8
83.04948	2.9
84.03362	0.6
85.02876	100.0
87.04446	8.4
91.03925	4.9
93.03389	0.9
93.06971	1.1
97.02855	46.9
99.04398	4.0
103.03877	0.8
105.07042	0.8
107.01273	0.8
109.02860	9.8
109.10155	1.0
111.04395	4.0
115.03896	20.4
119.04935	1.1
120.39677	0.6
121.02827	21.6
127.03877	21.2
133.04926	10.5
135.04370	1.4
139.03854	1.0
145.04916	31.7
147.04355	1.2
149.02292	18.6
150.07532	1.2
163.03873	6.2
163.05934	15.8
177.01772	70.9
178.02174	0.8
182.15337	1.5
184.74573	0.7
191.03378	1.4
193.04950	1.0
209.04387	21.8
209.06232	1.0
210.14861	2.6
211.15193	0.9
223.05838	0.9
241.07001	3.0
251.14766	4.5
259.07794	2.0
295.10175	3.9
297.75732	0.7
383.09656	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	400.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
57.03422	30.9
59.04967	2.0
61.02896	10.0
64.32648	0.9
67.22561	0.8
68.99754	1.2
69.03407	51.8
71.01323	1.6
71.04973	1.3
71.08592	0.9
73.02505	1.9
73.02888	34.7
81.03399	7.6
83.01317	1.0
83.04936	1.6
85.02877	100.0
87.04442	19.9
91.03886	1.2
92.09383	1.6
97.02855	53.6
99.04407	3.9
101.02335	1.0
103.03896	1.5
107.04897	1.5
109.02863	7.3
111.04328	1.0
115.03891	28.3
121.02824	6.1
127.03879	22.6
133.04921	19.9
145.04913	25.3
149.02295	5.2
150.07616	1.5
163.03885	2.0
163.05954	16.0
163.89503	1.1
177.01759	17.9
181.04610	1.1
209.04349	4.3
241.07196	1.5
251.14851	4.5
295.10303	1.8
318.18637	1.0
325.43753	1.0
383.09198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.8
55.01845	1.0
57.03420	31.5
59.04972	3.6
60.04500	0.9
60.57226	0.7
61.02909	10.2
65.57470	0.7
69.03407	66.4
71.01318	1.0
71.04964	1.7
73.02889	26.9
75.04450	1.9
81.03407	6.4
81.07030	1.3
83.04948	1.1
83.33736	0.9
85.02879	100.0
86.06062	0.8
87.04436	34.7
87.97270	0.8
91.03937	3.2
92.08661	1.7
97.02856	55.3
99.04429	1.8
101.02312	1.0
101.27137	0.8
103.03986	1.0
105.06982	1.1
106.09803	0.8
109.02884	6.5
115.03899	41.1
123.23923	0.9
127.03879	15.1
133.04921	32.0
145.04922	25.4
145.06084	1.0
150.07588	3.0
163.05943	11.1
241.07112	1.0
251.14850	1.9
259.08041	1.4
275.39487	0.9
277.09079	1.1
295.10034	2.9
307.92731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21320	0.5
53.03926	0.9
55.01850	3.0
55.05486	0.9
56.96522	0.7
57.03427	4.8
61.02895	3.3
65.06527	0.7
65.46806	0.6
67.05479	0.7
69.03400	12.9
69.07074	0.8
71.04967	6.9
73.02879	5.5
81.03384	6.2
81.07021	0.9
83.04942	3.3
85.02876	26.7
87.04439	6.0
89.05991	1.3
89.81507	0.7
91.03943	1.2
91.84872	0.7
95.04929	0.9
97.02850	11.7
97.06462	0.9
98.97527	1.4
99.02650	0.8
99.04408	6.5
103.03885	0.6
109.02851	3.1
111.04404	0.8
113.48661	0.6
115.03895	12.4
117.03694	0.9
117.05480	0.9
119.04913	1.6
120.08067	1.1
123.04383	0.8
127.03876	8.3
129.03668	0.8
129.05553	0.7
131.53168	0.6
133.04913	3.6
134.99680	1.3
136.06140	100.0
137.04575	0.7
145.04924	7.2
147.04390	5.9
157.03133	3.5
163.05983	0.8
167.10576	1.5
175.04211	7.8
185.11678	0.9
203.03674	1.1
203.08995	0.7
203.12775	1.5
221.04732	7.1
231.91449	0.7
254.61339	0.8
259.08173	0.8
267.29498	0.7
268.10349	7.2
277.09091	2.9
400.14496	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	400.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.0
56.96535	5.1
57.03408	4.7
59.04969	4.2
61.02895	1.5
69.03407	10.2
69.07032	2.4
70.06590	0.8
71.04952	3.8
72.08132	1.1
73.02877	1.6
79.05437	3.7
81.03374	6.2
81.06995	1.5
85.02876	24.1
87.04442	7.2
89.03877	10.3
93.06992	5.2
95.04913	1.0
95.08549	1.9
95.11162	1.0
97.02849	8.4
98.97557	2.3
105.06993	0.9
105.65997	1.0
107.04907	3.8
109.02831	2.1
114.35468	0.9
115.03878	13.5
116.98602	1.3
117.03324	7.7
117.19337	0.9
120.08063	2.0
121.10091	6.5
124.03916	2.2
127.03875	7.5
133.04916	3.7
134.99631	0.9
135.04375	20.9
139.07498	1.2
139.11105	2.2
145.01819	1.5
145.02812	14.3
145.04897	4.6
157.12204	1.9
163.03841	100.0
164.04169	3.7
174.12744	3.8
177.01796	1.1
181.04875	1.2
185.08073	1.5
192.13814	1.5
194.07350	1.0
203.12708	2.3
225.07903	4.5
231.08987	3.5
238.14311	5.6
243.09006	1.9
277.09158	1.9
283.11990	1.5
301.13190	1.1
303.62622	1.0
325.13150	5.4
343.13962	1.4
355.10147	1.3
414.85739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2367
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.00288	2.6
53.03919	5.1
55.01847	3.3
55.05500	21.2
57.03413	6.8
57.07053	6.1
57.79435	2.7
61.02896	12.6
61.03177	2.6
67.05482	32.3
69.03407	31.4
69.07030	25.1
71.04956	25.9
73.02898	4.4
74.94454	3.1
75.08180	2.9
79.05471	23.3
81.03370	15.1
81.07024	91.0
83.04964	2.9
83.08594	3.5
85.02878	70.8
85.06506	4.3
87.04427	4.1
91.05436	38.3
92.09721	2.9
92.62983	3.1
93.07006	100.0
95.04925	12.4
95.08569	69.6
97.02859	18.4
97.06503	48.4
99.04399	3.8
105.06992	95.5
107.08556	44.7
109.02790	3.4
109.06480	16.3
109.10117	40.5
111.04401	4.5
111.08034	6.9
113.05995	4.5
116.98480	3.1
117.06963	17.7
119.08535	67.7
121.06445	6.7
121.10100	36.2
123.08028	47.8
123.11642	35.7
124.07498	3.2
125.09563	18.4
127.03852	5.7
127.11131	3.1
129.06923	6.6
130.07733	3.3
131.08524	37.8
133.06421	3.0
133.10089	65.8
133.11067	4.6
135.08023	6.4
135.11620	6.4
137.09595	22.6
143.08501	6.2
144.09416	3.1
145.04872	3.6
145.10059	35.5
147.11636	34.5
149.09576	14.3
149.13144	3.9
151.11131	13.2
157.10069	12.5
159.11626	40.5
161.13182	11.7
163.11147	15.4
163.41431	3.1
173.13210	18.7
175.11128	5.5
175.14705	2.9
191.96155	3.3
201.16322	20.4
219.17358	89.9
237.18430	14.0
381.22681	4.7
388.55392	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	399.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96228	0.6
55.05494	0.9
56.05011	1.9
56.96538	3.2
57.43702	0.8
59.04972	0.7
59.62048	0.8
60.04497	0.9
67.80451	0.8
68.19450	0.9
69.03389	1.8
69.07036	0.9
76.40866	0.7
79.05389	0.9
80.88715	0.7
83.04930	1.5
85.02862	3.5
91.05424	1.1
93.06939	0.8
97.02860	8.7
97.06508	0.9
98.97527	5.5
102.05508	1.0
111.04447	1.1
116.98566	5.3
117.03417	0.9
119.01859	1.0
121.06462	9.0
122.06790	0.8
128.98553	1.2
135.04362	3.3
136.06108	10.7
137.02280	1.5
137.05760	0.8
146.99638	1.2
155.04590	1.0
163.03792	10.3
177.00674	1.2
195.01387	1.6
201.74512	0.9
213.02505	1.4
219.01631	1.2
231.01591	1.1
237.02650	5.4
250.09262	6.3
255.03598	1.1
339.05450	1.0
357.06549	1.0
381.11646	3.0
399.12473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2368
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.00292	0.8
53.03925	4.3
55.01840	1.3
55.05495	6.1
57.03422	7.2
57.07053	2.4
59.04981	5.6
59.08544	0.8
61.02905	8.1
62.28772	1.1
65.03912	1.6
67.05482	19.6
69.03410	21.1
69.07039	6.5
71.04964	8.4
72.07758	1.0
73.02880	1.2
79.05470	12.8
81.03393	8.3
81.07028	88.8
83.04960	1.5
83.08593	2.3
85.02878	39.8
85.06509	1.3
87.04433	1.8
91.03929	1.9
91.05452	14.2
92.09390	4.2
93.07012	100.0
95.04923	6.3
95.07961	1.5
95.08572	46.1
97.02857	17.2
97.06498	50.9
97.10149	1.2
99.04447	1.6
100.11256	1.2
104.74777	0.9
105.07005	21.9
106.57517	0.9
107.08569	20.0
109.02854	5.4
109.06485	11.0
109.10130	13.7
111.08068	1.4
113.05997	2.0
117.06980	4.0
119.08556	22.8
121.10106	14.5
123.08038	27.0
123.11662	29.4
125.09576	5.1
127.03887	5.7
131.08513	7.2
133.10092	19.8
135.11659	6.7
137.09578	4.9
145.04904	1.7
145.10068	13.4
147.11642	14.9
149.09647	1.3
149.13184	2.3
151.11140	11.6
159.11618	13.7
161.13226	5.8
163.11172	3.6
173.13222	4.6
191.17915	1.3
201.16350	10.5
219.17363	72.5
250.07816	1.1
273.80917	1.3
376.97287	1.0
399.19559	2.1
399.27011	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	399.2369
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03929	3.2
55.01858	2.2
55.05492	8.2
57.03413	7.7
57.07059	5.3
59.04973	3.0
59.85546	1.1
61.02908	10.2
65.03931	1.4
67.05478	23.6
69.03407	22.0
69.07043	9.1
71.04961	8.8
73.02887	1.4
79.05477	14.1
80.91048	1.2
81.03399	5.5
81.07031	82.1
83.01355	1.8
85.02884	49.8
87.04451	2.4
90.28662	1.2
91.05446	12.5
93.07014	100.0
95.04945	7.2
95.08569	55.1
97.02865	14.7
97.06494	49.5
105.07005	19.5
107.08570	19.0
109.02853	5.9
109.06496	16.1
109.10130	17.0
111.08054	2.7
113.06001	5.2
115.03954	1.5
119.08545	22.4
121.01813	1.3
121.06413	1.6
121.10114	18.3
123.08035	34.0
123.11670	44.5
125.09606	3.2
127.03887	5.6
131.08556	6.6
133.10083	22.0
135.11649	6.2
137.09550	3.2
145.04968	2.2
145.10081	10.8
147.11639	15.8
149.09613	3.1
149.13240	2.9
151.11137	15.8
157.10132	2.1
159.11659	15.7
161.13216	5.3
163.11127	5.4
173.13283	3.2
175.14848	2.4
201.16328	10.2
219.17378	94.5
245.84500	1.5
322.14340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80830	0.6
56.44496	0.5
56.96547	12.1
61.06992	0.5
63.08777	0.5
63.65154	0.6
71.95194	1.0
86.50069	0.7
92.40250	0.6
95.03100	0.6
97.02872	5.4
98.97547	100.0
116.98585	89.2
116.99258	1.5
119.01886	1.4
130.93335	0.7
134.99612	53.9
139.52917	0.7
153.00679	9.9
155.20755	0.6
157.01852	0.6
162.90379	0.7
169.32124	0.6
172.94278	4.0
177.00949	2.8
190.95357	6.1
208.96387	5.0
214.95375	2.5
219.01909	0.9
224.97052	1.4
232.96394	8.9
234.99803	0.7
247.65123	0.6
250.97423	8.1
251.97705	0.7
256.96362	12.0
258.99731	4.8
261.02911	3.3
263.03009	1.0
274.97406	85.4
277.00800	9.7
282.99854	8.2
290.95383	1.1
292.98462	89.9
297.98996	1.0
301.00955	23.2
302.01108	0.7
303.00821	0.8
310.99533	0.9
315.99863	0.8
316.98950	1.1
319.01950	1.1
357.03491	3.2
380.96545	1.3
398.97693	11.9
416.98468	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	398.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.03928	1.4
55.01850	7.1
57.03421	29.1
59.04967	4.8
60.56923	1.2
61.02902	11.7
65.17194	1.1
69.03403	79.3
69.07039	32.4
71.01318	2.4
71.04957	1.7
73.02494	2.2
73.02884	36.7
75.04451	2.5
79.05477	1.5
81.03368	8.2
81.07034	5.2
85.02874	100.0
87.04437	43.2
88.69129	1.0
91.03911	2.0
91.05467	2.6
93.07018	2.5
95.04951	2.6
95.08549	2.2
97.02853	72.9
97.06521	1.4
99.04415	2.8
101.02297	1.2
103.03925	2.3
104.48598	1.0
105.07027	1.4
107.08578	1.7
109.02872	8.5
109.10149	1.1
111.08021	8.3
115.03886	52.9
119.08569	1.5
124.03929	1.7
127.03870	17.4
133.04912	44.4
137.09602	1.6
145.04909	24.9
147.04298	1.7
147.08058	1.6
150.07603	6.4
163.05939	13.8
163.49965	1.1
165.09090	6.4
167.06932	13.4
195.10115	2.7
197.59689	1.1
201.11209	5.8
213.11089	1.7
223.05885	1.5
259.08051	7.2
277.09103	2.4
288.29813	1.2
295.10175	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	398.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	40.8
61.02909	15.6
67.09306	1.4
69.03407	39.1
69.06679	2.3
69.07043	47.1
71.01331	2.7
71.04977	1.8
73.02892	81.4
73.03309	2.6
81.03381	9.3
85.02876	100.0
87.04424	2.9
89.53053	1.4
91.03909	3.0
92.08633	1.8
97.02864	54.3
99.04413	2.6
102.82578	1.3
103.03874	1.9
105.06973	1.6
107.18362	1.5
109.02853	12.4
115.03905	35.5
127.03877	26.6
129.60439	1.3
133.04936	10.0
145.04903	28.9
163.05969	19.5
223.06006	1.5
230.75401	1.4
231.12228	3.2
241.06902	2.5
259.08035	9.0
289.89386	1.4
295.10056	8.3
331.48984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36447	0.9
56.96543	1.9
57.03408	7.7
61.38022	1.1
67.05473	6.3
69.03407	6.4
69.07035	6.9
71.04966	100.0
73.02873	2.3
81.03371	2.5
81.07034	2.6
83.04951	2.0
84.08122	2.0
84.95944	1.5
85.02869	17.8
85.06514	2.5
87.04430	4.4
89.54182	1.1
91.05465	2.4
93.07011	2.2
93.07948	1.0
95.01293	2.3
95.04910	8.9
95.08580	2.5
97.02850	7.6
97.06495	2.1
98.97540	5.6
99.04404	4.8
99.92973	1.1
101.02298	1.2
103.03844	1.1
105.07048	1.2
107.08556	2.0
107.11220	1.0
107.21420	1.1
109.06509	8.5
109.10106	11.3
113.05988	2.3
116.98595	2.2
117.05467	8.1
119.08534	10.7
123.08050	4.1
127.03856	2.7
129.48994	1.1
131.06981	5.0
134.99741	1.5
137.09575	10.5
141.01794	7.9
145.04968	1.5
146.99608	1.5
150.57330	1.4
153.09064	2.0
155.10612	1.7
163.03835	4.8
165.09041	11.3
173.02727	1.3
183.10138	9.6
187.09605	57.2
190.05019	1.4
190.14142	1.1
201.11098	11.3
213.00587	1.6
219.01659	2.6
219.12213	4.3
231.01550	1.8
237.02711	8.2
266.08890	1.4
309.64584	1.2
339.03693	1.5
357.05035	1.9
363.12659	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	398.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04058	1.1
55.01856	1.7
55.05472	1.3
56.59525	0.9
56.96537	2.4
57.03410	6.1
59.04985	1.1
61.02910	1.4
67.05466	6.4
69.03391	8.2
69.07027	5.5
71.04964	100.0
73.02887	3.0
79.05427	1.4
81.03384	2.1
81.07022	2.8
82.78397	1.1
83.04935	1.3
84.08118	1.8
85.02880	15.3
85.06515	1.7
85.29494	1.2
87.00767	1.3
87.04427	2.2
87.08073	1.6
91.05450	2.3
93.07030	2.4
95.01281	2.3
95.04950	9.1
95.08549	5.2
97.02853	8.1
97.06499	2.9
98.97543	7.8
99.04421	6.3
105.07001	1.4
109.02856	1.8
109.06477	7.0
109.10107	11.4
113.02314	1.9
113.05966	2.3
115.07528	1.4
116.98570	5.8
117.05420	10.5
119.08543	10.0
123.08014	2.2
127.03867	2.4
130.06595	1.2
131.06999	2.5
134.99582	2.0
135.04333	1.6
135.21696	1.2
137.09572	9.1
137.10483	1.2
141.01759	7.1
147.07954	2.1
155.10649	2.4
163.03821	2.0
165.09048	9.1
183.10060	10.7
187.09592	58.4
201.11211	8.0
208.29991	1.2
213.00589	2.6
219.01503	2.1
219.12257	1.9
231.01724	2.3
237.02681	7.1
295.39377	1.3
339.08939	1.9
354.42380	1.3
357.04614	2.7
363.12735	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	397.382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93179	4.0
53.31281	4.1
55.05484	12.1
57.07054	29.4
61.29261	3.8
67.05486	30.0
69.07053	40.6
71.08605	23.7
79.05450	10.2
81.07022	84.4
83.08605	10.6
87.05496	5.1
91.05455	11.5
93.07024	27.7
95.08574	67.2
97.10175	5.4
97.67121	4.7
105.07007	36.9
107.08562	34.6
109.10119	54.4
115.36889	5.3
119.08535	32.5
121.10119	23.1
123.11675	21.4
131.08553	7.5
133.10091	22.1
133.88454	5.6
135.11618	35.7
137.13246	5.0
145.10179	7.9
147.11635	57.9
149.13258	6.2
157.92776	5.0
161.13235	36.5
163.14828	5.6
175.14801	11.2
189.16327	5.7
287.27216	6.5
397.38184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1485
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
50.76669	0.3
54.64161	0.3
55.01842	0.7
57.03404	1.9
57.07063	1.1
59.04967	0.8
67.05467	2.2
69.03394	2.4
69.07041	1.1
73.02889	0.4
80.41713	0.3
81.03371	0.5
85.02874	4.0
87.00777	2.0
95.08551	0.5
97.02834	1.6
105.01808	0.6
109.02825	0.5
109.05024	0.4
127.03859	0.8
133.12241	0.4
134.04568	8.6
135.02895	0.3
140.02664	0.4
152.05624	1.9
159.02768	0.3
165.02200	5.4
167.02538	1.3
173.08157	0.4
181.05373	0.4
182.04887	100.0
194.04924	2.7
200.09282	0.5
205.05354	2.4
213.89676	0.4
216.04662	1.3
221.08589	0.5
228.49014	0.3
231.06874	6.6
248.09566	9.5
266.10587	44.1
398.14734	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	397.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66021	2.2
51.72659	2.3
55.05499	17.7
55.19093	2.1
56.15401	2.2
57.07050	4.9
66.88304	2.0
67.05480	28.5
69.07054	29.3
71.73141	2.2
79.05463	25.4
81.07027	67.6
83.04914	2.5
83.08585	13.6
87.81767	2.4
91.05450	23.2
93.07000	65.8
93.96711	2.4
95.08563	99.6
97.10109	5.1
105.07003	57.3
107.08561	100.0
109.06458	3.5
109.10126	40.1
119.08538	97.8
121.10094	59.0
121.23958	2.4
123.11674	14.2
131.08499	18.1
133.10088	38.1
135.11671	18.1
137.13199	12.2
143.08517	3.0
145.10068	33.2
147.11642	40.9
149.13217	75.5
151.14713	5.7
157.10081	10.4
159.11620	18.3
161.13202	54.7
163.07501	3.2
163.14772	69.7
171.11565	4.9
173.13235	15.8
175.14758	26.6
177.16354	6.2
185.13254	3.8
187.14763	12.2
189.16341	32.2
199.14702	4.8
201.16335	41.9
203.17892	23.1
210.01852	2.7
215.17807	5.7
225.16225	3.6
227.17877	3.7
229.19476	3.6
241.19371	4.3
247.16869	11.5
255.20694	3.0
281.22247	4.5
327.22943	4.1
351.30328	14.3
377.62775	3.2
397.30844	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08608	0.1
50.52847	0.2
50.59172	0.2
51.92279	0.2
55.01858	0.2
57.03410	0.5
58.17411	0.2
69.03409	0.3
70.78399	0.2
81.03374	0.2
85.02868	0.9
86.09675	0.4
87.63637	0.2
88.07507	0.2
89.36764	0.2
97.02893	0.7
98.97523	0.4
102.76105	0.2
112.07534	0.2
116.98574	0.3
119.03489	0.4
130.08519	0.4
135.04337	0.4
135.67010	0.2
136.06137	100.0
137.04529	0.2
137.05876	0.2
160.69870	0.2
163.03850	1.3
177.00793	0.2
194.97270	0.2
237.02710	0.3
268.10294	14.3
397.10165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12960	1.1
55.31821	1.3
57.03413	1.6
69.07047	1.7
76.55737	1.4
79.05480	2.1
84.34489	1.3
91.05443	13.1
94.04144	1.4
94.54180	1.2
95.04911	1.4
103.11601	1.3
105.07008	2.8
107.04960	1.8
109.06516	1.5
115.05416	1.8
119.04906	6.6
119.08515	1.7
122.03612	7.9
128.06181	2.8
129.06947	8.4
131.08487	3.1
136.05139	1.8
137.05937	85.8
141.06926	2.5
142.07809	3.2
143.08530	1.9
144.05676	3.5
147.04396	2.7
149.05913	6.3
151.07532	7.8
153.07019	3.2
155.08527	7.8
157.06458	3.1
158.07257	2.1
159.08003	7.5
161.05885	15.5
161.09599	2.1
165.06889	3.2
167.08511	3.5
169.06432	3.0
170.07213	2.0
171.08061	5.6
172.08794	2.3
175.07487	2.6
182.07254	9.5
183.08020	2.8
184.05179	2.0
184.08807	2.2
185.09576	9.1
186.06764	2.2
187.07472	8.3
189.08929	1.7
191.06960	7.0
194.07225	2.3
194.52660	1.6
195.07957	3.3
197.05884	1.5
197.09610	10.5
198.06728	19.7
199.07500	10.9
200.08298	2.3
201.09003	2.9
202.07878	2.1
202.24867	1.4
203.08560	2.2
205.79605	1.9
210.06746	2.7
211.07504	3.0
212.08307	3.3
213.09024	19.9
215.08667	1.8
215.10614	8.6
225.08989	13.4
231.08015	2.9
243.07901	3.0
243.10023	15.2
245.09604	3.5
247.07442	2.6
248.08122	1.9
255.10085	6.5
257.09589	5.4
259.07550	2.3
260.08215	1.9
261.09033	8.0
263.06992	1.6
264.07745	2.4
265.08533	5.6
269.09641	2.0
271.07437	3.1
273.08841	2.6
273.11206	32.6
274.09683	2.8
275.07001	1.4
275.10602	7.0
276.07684	5.7
277.08508	6.3
277.11963	1.6
278.09229	3.5
285.08978	5.6
287.07123	2.8
288.07608	5.7
289.08435	5.8
289.11896	2.0
290.09363	6.3
291.10062	9.5
292.07196	2.2
292.10654	1.8
293.08072	6.1
293.11710	2.2
301.08527	2.3
302.09076	1.6
303.10156	8.0
304.10651	2.2
305.08231	1.7
305.11661	7.0
307.09613	12.4
308.10336	7.1
317.11685	6.0
318.08789	2.1
319.09784	3.0
320.10410	1.9
321.11050	6.8
333.11160	3.5
334.11935	1.7
335.12634	5.1
336.13147	2.2
337.14008	1.7
339.12244	1.7
349.14136	5.4
351.12167	11.7
353.13739	2.0
354.14392	16.0
361.14380	1.6
379.15311	9.3
397.16302	75.9
397.21814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25129	1.2
58.98150	0.8
59.04993	0.8
59.57870	0.8
62.99530	0.8
65.87940	0.8
67.05473	1.7
69.03397	1.6
71.04977	1.1
79.05427	2.3
81.03362	1.7
81.06994	4.0
85.02837	2.5
91.05447	8.5
93.07005	3.6
93.44011	0.9
95.04881	1.5
95.08533	1.6
97.02809	1.4
103.05372	1.9
105.07002	7.3
107.04884	1.8
107.08536	1.8
117.06938	2.1
119.04847	4.9
119.08504	4.3
120.52740	1.1
121.10047	1.6
122.03558	4.3
129.06905	6.0
131.04913	1.4
131.08487	3.9
133.10051	1.9
137.05936	51.3
141.06903	1.9
142.07710	1.2
143.08417	1.0
144.05663	1.4
144.81519	1.0
145.06340	1.2
147.04263	1.4
147.11511	1.2
149.05881	2.1
149.09506	2.0
151.07448	5.9
152.04605	1.0
153.06839	1.1
155.08430	1.7
157.06306	1.9
157.10019	2.0
158.07162	3.7
159.07936	4.0
161.05888	8.8
161.09488	2.5
165.06955	2.2
167.06972	17.7
167.08327	2.2
168.07245	3.6
171.07967	3.7
172.08684	2.2
175.07491	1.1
175.10948	1.0
182.07095	5.1
183.07925	2.3
185.05791	1.4
185.09457	5.6
187.07440	4.3
187.11041	1.3
191.06853	1.8
192.42969	1.1
197.09421	5.5
198.06755	11.1
199.07356	4.8
199.74611	1.1
200.08044	1.4
210.06694	1.4
211.07437	4.2
212.08138	3.8
213.09056	13.3
215.10468	2.5
217.15750	1.6
225.08958	6.7
232.08905	1.0
235.16791	1.0
243.10149	7.3
244.08701	1.0
245.09332	3.9
249.14383	5.7
255.09999	4.3
259.07416	1.7
260.08054	1.7
261.08768	1.6
264.07578	1.3
265.08304	1.6
271.07257	1.9
272.07974	1.1
273.08850	2.3
273.11200	20.5
274.09579	1.4
275.06961	1.1
275.10013	1.1
276.07596	1.7
277.08328	1.5
278.09244	1.1
285.08917	1.3
286.09641	1.3
288.07608	1.2
289.08337	3.7
289.11880	2.0
291.09799	5.7
293.08185	1.0
293.13559	15.0
301.08481	1.8
303.10052	3.5
306.08533	1.6
307.09628	8.1
308.10193	3.8
311.14386	2.3
317.11462	2.0
321.10797	4.6
325.10492	1.5
333.11032	1.9
334.11377	1.1
335.12378	2.1
339.12180	1.8
351.11856	4.1
353.15820	8.1
354.14536	8.2
367.15082	1.3
379.14999	6.2
397.14618	100.0
397.25031	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	396.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36362	0.9
55.05492	13.4
57.07048	11.1
59.04966	2.0
61.45228	0.9
64.32839	1.3
69.03399	1.6
69.07040	100.0
71.04956	4.5
71.08595	7.0
73.06511	6.7
83.08588	7.0
85.02877	8.0
85.10158	2.6
89.05984	11.5
95.08529	1.2
97.02844	1.9
100.11237	2.0
107.08593	1.4
108.22053	1.1
111.11681	74.6
111.91461	1.2
119.08541	1.6
129.12698	21.1
147.04475	1.7
184.16835	2.3
199.16884	13.6
212.16499	1.7
217.17937	8.6
380.19315	1.2
396.31897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
55.05498	9.9
57.03434	0.6
57.07055	2.9
59.04990	0.8
61.02893	0.7
67.05453	0.9
69.03411	1.1
69.07044	100.0
71.04968	4.8
71.08614	3.7
73.06527	1.3
83.08595	5.0
84.96043	0.6
85.02865	5.1
85.10144	1.3
89.06003	2.7
95.04943	0.7
97.02823	0.9
98.97559	1.3
111.11688	85.1
116.98586	0.6
129.12706	3.0
177.00552	0.7
199.16841	19.0
217.17920	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	396.331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25346	1.0
52.96091	0.9
55.05489	6.4
55.68808	0.8
57.06791	1.9
57.07060	43.1
57.13467	1.0
59.04972	1.6
68.24918	1.0
69.07035	1.9
71.08604	30.6
71.49464	0.9
73.06509	4.9
75.13457	1.2
79.15347	1.0
83.08576	2.4
84.52463	1.0
85.10149	29.4
87.04414	1.4
89.05999	100.0
91.05447	1.2
92.28828	1.4
99.11690	2.5
107.07039	5.2
107.08539	1.2
130.80077	1.1
130.81427	1.2
133.08549	23.7
141.16441	1.3
151.09618	2.2
158.24281	1.1
177.11172	6.7
229.21579	5.8
239.14713	16.0
273.24243	4.4
379.30411	45.4
396.34268	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
54.80806	1.1
55.01859	1.5
55.05478	5.0
57.03421	3.6
57.07044	2.5
57.38413	1.0
59.04968	1.3
67.05463	5.4
69.03397	11.3
69.07042	5.4
71.04962	34.6
73.02867	1.8
73.06531	1.3
75.53448	1.1
79.05477	8.8
81.03387	6.6
81.07024	20.1
83.04933	5.5
83.08600	2.0
85.02876	27.4
85.06512	15.8
86.09697	1.0
87.04417	6.4
89.05981	1.2
91.03909	1.3
91.05443	19.4
93.07009	100.0
95.04926	14.7
95.08585	15.0
97.02837	7.1
97.06474	5.1
97.10125	8.7
99.04423	4.1
101.05965	1.5
105.06996	4.8
107.04921	1.7
107.08556	31.4
109.02835	2.4
109.06479	5.3
109.10136	7.7
109.10793	1.0
111.04362	1.4
111.08060	5.2
113.05958	1.6
113.09607	18.2
115.03894	4.4
117.06991	2.6
119.08513	1.3
121.06437	2.6
121.10095	15.5
123.08002	1.8
123.11663	31.1
125.09587	43.9
127.03867	6.4
135.08005	9.1
135.11649	5.2
137.09554	5.8
139.07494	6.2
139.11116	4.6
141.12679	10.6
143.10629	76.4
145.04910	2.3
145.10129	7.6
153.09058	6.2
153.12750	3.7
155.10596	2.6
157.08487	1.4
158.05656	1.1
163.07466	2.0
163.11134	14.2
180.49181	1.0
181.08543	5.1
181.12161	20.9
199.09566	8.8
199.13223	72.1
217.10637	2.6
217.14255	8.6
222.55803	1.0
293.86856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09116	0.6
66.73250	0.7
67.05478	0.8
79.05469	0.7
81.07027	0.8
92.81155	0.8
93.07006	1.1
95.04913	1.7
95.08559	1.1
104.76332	0.8
114.78883	0.8
117.35401	1.0
119.08578	0.8
126.89968	0.9
174.97398	0.8
213.09081	0.9
223.87033	0.8
239.04358	1.0
395.27551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2033
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
50.01919	0.4
55.05490	1.0
56.96523	0.5
57.03430	0.6
57.07024	0.6
67.05482	1.0
69.03375	0.8
69.57024	0.5
81.07010	2.8
85.02873	2.0
91.05442	0.6
93.07015	1.2
95.08541	2.5
95.66987	0.6
99.08002	0.6
99.89540	0.4
105.07004	0.9
107.08547	1.1
109.10125	0.9
119.08534	0.9
121.10100	0.6
133.06409	0.5
167.06976	0.9
187.07500	2.9
215.06966	5.9
233.07988	4.1
243.02892	0.8
245.04385	0.6
248.09142	0.6
271.91199	0.7
395.20245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1301
Annotation	SB 242084
Peak:m/z	Relative Intensity
50.13179	0.6
50.54685	0.6
54.78147	0.7
55.05488	0.8
56.96536	5.3
57.03403	0.8
64.32567	0.6
67.05450	1.1
67.83209	0.7
69.03394	1.1
71.00975	0.8
71.04958	1.2
73.02867	1.2
79.05442	1.2
80.68799	0.7
81.07013	0.9
82.29884	0.7
83.04950	3.2
85.02862	4.3
91.05428	3.1
92.09428	0.9
93.07029	1.1
95.04920	3.3
97.02853	3.1
97.06477	0.8
98.97494	0.8
99.00761	0.8
102.83851	0.7
103.70766	0.8
105.06953	1.3
109.02835	1.0
111.04381	1.7
119.04877	1.6
121.02856	0.9
134.06737	0.9
135.04350	1.1
137.05911	0.9
139.03835	1.0
147.04359	4.7
161.01160	1.3
161.05917	1.1
163.03854	4.7
179.41335	0.8
185.04138	1.5
189.00642	1.3
201.05316	0.8
201.41057	0.8
213.00610	0.9
217.04543	0.8
232.06944	18.8
233.07808	5.3
296.29538	0.8
364.11121	1.4
395.12985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80946	0.7
56.96544	3.3
57.03409	1.1
61.02899	1.8
69.03391	4.6
71.04971	1.0
72.01295	0.7
73.02868	1.1
73.99252	0.7
75.31888	0.8
75.84675	0.8
76.70596	1.0
81.03374	1.4
83.04953	0.8
85.02878	21.4
89.03889	1.3
91.05444	4.9
95.04948	0.8
97.02854	4.7
98.97547	12.9
107.04920	3.1
111.04335	1.2
116.98582	5.3
117.03297	1.4
119.04897	17.5
120.05256	2.0
122.03660	1.0
127.03850	7.3
132.71944	0.9
132.91040	0.8
134.99580	4.0
135.04344	6.3
135.32144	0.9
137.05937	64.3
138.06294	15.7
139.03893	1.1
147.04369	32.4
148.04688	10.0
149.01259	1.3
151.07524	1.0
157.77974	0.8
159.06494	1.9
161.01115	1.8
163.03844	11.0
164.04301	1.6
179.06955	16.9
180.07297	6.8
184.05942	1.1
189.00658	1.4
197.08054	7.2
198.08377	1.9
219.01700	1.4
233.10104	2.0
237.02844	2.7
239.04402	4.0
272.86804	0.8
289.27872	0.9
349.08853	2.0
351.10306	1.0
353.07101	1.2
377.08365	17.7
388.69879	0.9
395.09323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.01852	2.2
55.05491	4.7
56.96544	32.1
57.03422	10.0
59.04992	1.3
60.54288	1.0
61.02905	13.5
67.05502	1.1
69.03411	28.8
71.04955	5.1
73.02885	10.4
74.06031	1.5
74.97562	1.4
79.05443	1.5
80.07092	1.0
81.03387	11.6
83.04955	7.0
84.96003	11.0
85.02876	53.5
86.03204	1.4
86.09705	1.7
87.04447	5.1
91.03944	2.8
91.07441	1.1
95.01285	1.4
95.04939	5.0
97.02859	30.3
98.97546	98.3
99.04418	10.3
99.97868	1.5
101.00850	1.4
103.02377	1.2
109.02850	6.8
110.97500	13.6
112.05083	1.4
112.99115	4.6
113.05966	6.2
116.03843	1.2
116.98583	57.9
118.85215	1.1
119.01849	12.0
120.87806	1.0
121.01669	1.6
124.03679	1.5
127.03895	13.7
128.02287	2.5
128.98563	27.9
131.00119	9.9
131.01849	7.0
133.03442	2.2
134.83792	1.3
134.99626	27.5
135.04311	1.9
136.06123	2.7
137.06006	2.5
140.98561	2.0
143.00139	13.2
143.01833	4.4
145.01704	7.2
145.03459	5.5
145.04939	7.7
146.05040	2.2
146.99597	17.4
147.03250	2.0
147.04175	1.3
147.05128	3.5
149.01210	7.0
152.98558	2.0
153.00581	1.5
155.00047	2.2
155.01860	2.7
155.04596	5.4
157.03488	4.4
158.99614	16.0
159.03279	1.3
159.04921	1.5
161.01199	21.0
161.02914	8.1
162.99144	1.8
163.02707	7.2
163.04013	7.1
165.00652	6.3
165.04242	1.3
165.06068	2.3
169.01646	1.6
170.99617	8.7
171.04984	2.9
173.01221	9.0
173.02913	7.3
173.04597	1.3
175.02895	1.8
175.04422	11.4
177.00648	25.3
177.04047	2.2
179.02234	5.1
185.01207	8.4
185.02763	2.7
185.06526	1.9
187.02744	8.2
187.04463	5.4
189.00662	8.2
189.02252	2.0
189.04239	4.7
189.06055	8.3
190.98560	1.8
191.02190	6.2
191.03824	1.7
193.00175	4.8
193.03906	1.5
195.01648	2.5
197.01257	1.7
201.00737	5.2
201.06056	4.8
203.02220	8.2
203.03984	3.9
205.03838	6.9
207.01689	5.5
207.03490	1.5
209.03400	1.3
212.98824	1.3
213.06071	1.4
215.02202	2.3
219.01694	46.3
219.07036	1.7
221.05017	10.9
222.05298	1.4
223.04674	2.9
225.06047	1.2
227.07265	1.4
233.03192	5.4
233.06889	1.6
237.02730	100.0
239.04257	7.5
240.05515	1.3
245.05038	8.9
246.05118	2.1
247.04692	2.4
248.99106	2.4
251.04303	2.0
255.03891	8.3
257.05295	2.0
259.06604	6.1
260.06757	1.4
261.08115	1.9
263.04160	1.7
271.65491	1.4
275.04233	2.7
279.03735	5.6
279.09232	2.4
291.09225	2.3
292.10068	2.6
293.05405	2.1
295.06763	2.3
309.04895	2.8
317.05347	5.0
323.06381	1.8
335.06351	43.3
335.10110	2.4
353.07373	16.4
395.08810	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74780	2.8
56.36625	2.9
56.64177	2.9
56.69318	2.9
57.17107	3.0
60.42620	3.6
70.06541	3.2
71.16346	3.4
85.02870	13.8
87.73086	3.5
92.08752	6.8
92.88544	4.4
93.97133	3.9
98.97552	4.4
117.70544	3.4
119.01847	4.8
137.05925	5.8
163.03735	5.2
179.47733	3.9
189.72205	3.9
192.04552	4.0
239.04350	5.9
304.84827	4.5
363.09552	4.2
367.81989	3.7
377.08502	4.2
395.05951	100.0
395.09348	35.0
395.13513	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	395.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89372	9.3
56.96517	9.1
57.76509	8.3
67.81618	10.9
69.03382	14.8
71.24583	9.3
85.02870	43.7
94.84402	9.9
98.97556	41.5
104.08476	12.0
116.98590	18.2
119.01846	16.6
137.05913	13.0
163.03839	23.8
201.78284	11.9
206.61436	12.8
220.80856	10.1
239.04355	25.0
377.08301	15.2
395.08676	100.0
395.13785	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	394.248
Annotation	Dovyalicine A
Peak:m/z	Relative Intensity
52.01497	0.3
56.26870	0.4
58.06569	0.4
65.34962	0.3
68.20950	0.4
71.04955	0.3
72.08109	1.0
77.03900	0.7
81.07037	0.5
86.09642	2.8
89.02538	0.4
95.04921	1.0
95.08549	1.7
103.05430	11.8
105.03355	51.1
105.07019	0.6
109.10088	0.5
131.04881	100.0
134.05968	3.8
137.05893	0.6
139.11330	0.4
162.09076	33.4
176.10617	4.9
177.09117	0.4
188.10635	52.7
202.12225	4.3
207.14674	0.4
225.99670	0.4
233.16460	0.9
255.10037	0.5
264.66742	0.4
264.70367	0.4
394.24741	46.4
395.24704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.9
55.01853	14.3
55.05492	2.5
57.03411	3.3
57.07051	23.4
68.46163	1.9
69.07037	3.5
71.08611	13.7
81.03399	15.6
85.10160	4.0
97.10131	2.2
109.02863	22.2
109.83780	2.0
112.61852	2.5
115.03894	5.3
127.03867	100.0
141.05492	3.1
169.08562	2.3
197.11681	2.6
211.13165	3.0
225.14775	3.7
281.20996	2.6
295.22699	2.8
309.24069	3.2
334.18628	2.4
337.27029	3.9
393.33530	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.3
56.96529	0.4
57.03408	1.4
61.02891	1.9
65.03910	0.3
69.03408	3.6
73.02889	0.7
79.05441	0.7
81.03382	2.3
85.02871	12.5
89.03869	2.0
91.05446	8.8
97.02845	3.2
98.97536	3.2
99.04446	0.6
103.05437	0.4
107.04916	2.2
109.02876	0.7
110.97520	0.5
116.98571	1.5
117.03337	0.8
119.04897	28.1
121.06461	0.4
122.03585	1.8
124.45557	0.3
126.85331	0.3
127.03870	0.7
128.98523	1.3
131.04855	0.6
134.99623	0.4
135.04362	4.9
137.05933	100.0
139.03824	0.4
145.02812	2.1
145.04938	0.5
147.04358	52.1
149.05959	0.3
151.07474	2.3
158.99579	0.4
161.05855	0.4
163.03835	9.9
164.04318	0.7
174.40141	0.3
177.00783	0.4
179.06963	32.9
180.82942	0.4
197.08028	12.2
219.01608	0.5
237.02771	1.5
244.41650	0.3
246.37381	0.3
251.07155	0.4
266.77112	0.3
294.09155	0.4
395.09171	0.7
415.09128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	15.2
57.07058	14.6
67.05476	27.3
69.07043	33.9
79.05449	45.0
81.07030	54.3
87.97495	6.9
91.05465	66.4
91.64172	7.1
93.07016	81.6
95.04923	53.4
95.08559	48.9
105.06980	100.0
107.08575	50.2
109.10124	35.6
115.02123	7.6
117.06962	28.3
119.08539	69.0
121.06448	16.0
121.10114	32.3
128.06134	8.7
131.08533	32.7
133.10080	51.5
135.08032	13.3
135.11577	9.3
142.07712	12.2
143.08504	30.0
145.10011	48.6
147.11633	8.1
149.02272	12.8
150.02654	9.1
157.10077	38.9
159.11635	38.0
169.10135	8.3
171.11609	12.2
175.11081	9.0
175.14725	7.2
183.11635	11.2
187.14815	12.1
189.83250	8.3
216.17845	7.5
223.45580	7.2
258.76135	7.1
259.68338	6.4
361.27069	10.7
362.94199	9.0
393.34979	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	393.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49886	0.6
54.37368	0.5
55.05460	0.5
56.96546	0.8
64.32182	0.6
66.49001	0.6
67.05467	1.1
69.07039	0.7
81.07011	1.1
86.09667	3.5
90.17693	0.6
91.05456	4.3
93.07043	0.9
95.08583	2.3
119.08526	1.5
131.08539	0.9
135.11664	0.8
147.11632	0.9
149.02312	3.6
150.02635	1.3
171.11678	1.3
197.13110	0.8
253.08556	2.9
259.31723	0.7
268.09644	0.7
285.09900	1.2
297.63498	0.6
393.25980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.2
51.66697	0.9
53.00283	1.2
53.03920	7.2
54.81140	1.1
55.01847	1.4
55.05494	22.6
57.03414	1.0
57.07045	8.1
59.04980	1.2
65.03925	2.2
67.05481	39.1
69.03384	2.8
69.06767	0.9
69.07040	14.3
71.04945	1.1
72.97328	1.1
74.86765	1.0
79.05462	40.4
80.91045	1.0
81.03406	1.5
81.06549	2.3
81.07024	59.8
83.04964	2.4
83.08595	4.8
85.06503	2.2
91.05444	66.6
91.06023	2.4
93.07008	81.9
95.04930	47.9
95.08570	47.4
97.06491	6.9
103.05441	6.4
105.04494	2.9
105.07002	100.0
107.04936	1.8
107.08558	45.2
109.06487	17.0
109.10115	18.8
115.05419	6.6
116.06197	1.9
117.06985	24.3
119.04858	1.1
119.08536	81.8
120.09286	1.8
121.06461	17.0
121.10093	35.4
123.08012	5.2
123.11674	7.1
128.06186	11.5
129.06950	21.4
130.07748	13.2
130.63637	1.1
131.08519	40.4
132.09254	2.6
133.10089	47.9
135.07988	2.9
135.11655	12.6
140.96193	1.6
141.06961	6.7
142.07735	25.6
143.08514	32.1
144.09285	11.9
145.06433	1.9
145.10080	60.1
146.07193	2.6
147.08002	2.4
147.11633	17.4
149.02303	1.4
149.09570	1.3
150.02609	1.8
153.06941	2.4
154.07738	2.3
155.08514	13.9
156.09279	11.5
157.10080	40.2
158.10812	7.4
159.08003	6.2
159.11632	31.4
161.09564	11.5
161.13170	5.0
163.11000	1.4
163.14595	1.5
165.06958	4.9
166.07707	2.1
167.08487	8.4
168.09293	5.8
169.10077	20.6
170.10841	7.5
171.11615	21.2
172.12367	2.1
173.09578	2.4
173.13206	14.0
175.11127	5.1
175.14793	8.0
179.08528	6.1
180.09300	1.6
181.10083	10.8
182.10867	2.3
183.11641	18.0
184.12450	1.8
185.13211	8.3
187.11087	2.0
187.14798	7.5
192.09230	2.1
193.10098	6.0
194.10828	5.0
195.11633	9.5
196.12402	1.6
197.13165	11.7
199.14705	1.9
201.16397	2.4
205.10069	2.0
206.10799	4.2
207.11646	5.1
208.12456	2.3
209.13211	8.0
211.14792	5.6
213.16205	1.4
215.14142	1.3
219.11545	1.8
221.13155	5.1
222.13898	1.3
223.14838	4.5
225.16304	4.3
235.14853	1.9
237.16376	1.5
239.17892	1.7
251.17813	1.5
253.15668	2.4
255.17419	1.2
279.77170	1.2
375.26474	2.4
393.27679	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16724	0.2
54.61029	0.1
55.05473	0.2
65.03902	0.2
67.05473	0.8
69.03395	0.2
69.07025	0.4
70.06565	0.5
71.04948	0.4
78.04681	2.1
79.05474	1.5
81.07030	1.7
85.02863	0.4
85.06506	0.4
86.09695	0.4
91.05437	1.0
93.06989	1.4
93.54964	0.2
95.04938	1.0
95.08559	0.7
103.05410	0.3
105.06988	1.3
106.04153	1.4
107.04922	1.7
107.08549	0.5
109.06490	0.3
109.10125	0.9
109.66745	0.2
116.96992	0.2
119.08516	0.4
121.06442	0.4
121.10100	0.5
122.03579	0.3
123.04386	5.4
124.05169	2.3
133.06470	0.7
133.10034	0.4
135.11617	0.4
137.05914	0.3
137.17310	0.2
139.07483	0.2
149.02252	1.0
149.05925	0.3
150.02629	0.8
151.03856	1.3
151.07542	0.3
152.04649	1.8
161.05937	1.0
167.06978	100.0
168.07275	0.3
179.07002	0.2
181.08514	0.3
188.83600	0.2
193.08507	2.6
211.09586	1.7
257.33011	0.3
393.18658	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1873
Annotation	CHEBI:83897
Peak:m/z	Relative Intensity
52.18297	0.6
62.58324	0.6
64.97826	0.7
67.05494	1.1
67.75682	0.7
69.03389	4.4
81.03400	1.0
81.07022	1.8
83.04926	0.7
83.33354	0.7
85.02904	0.9
91.05426	1.2
93.06988	1.0
98.11877	0.7
98.97517	1.0
105.06954	1.1
107.08585	1.2
107.85308	0.7
109.06480	0.7
111.04408	0.9
119.08557	1.4
123.83438	0.9
129.75034	0.8
132.22836	0.7
147.11647	1.7
149.02301	3.7
150.02672	1.2
167.07013	3.9
177.65320	0.7
203.05200	32.7
213.12445	4.3
284.26062	0.9
393.18686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18297	0.6
62.58324	0.6
64.97826	0.7
67.05494	1.1
67.75682	0.7
69.03389	4.4
81.03400	1.0
81.07022	1.8
83.04926	0.7
83.33354	0.7
85.02904	0.9
91.05426	1.2
93.06988	1.0
98.11877	0.7
98.97517	1.0
105.06954	1.1
107.08585	1.2
107.85308	0.7
109.06480	0.7
111.04408	0.9
119.08557	1.4
123.83438	0.9
129.75034	0.8
132.22836	0.7
147.11647	1.7
149.02301	3.7
150.02672	1.2
167.07013	3.9
177.65320	0.7
203.05200	32.7
213.12445	4.3
284.26062	0.9
393.18686	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59482	0.3
52.14532	0.2
54.46508	0.3
55.05493	0.4
66.47838	0.3
68.04990	1.4
70.06544	0.6
82.91923	0.3
83.04958	0.4
92.08725	0.6
106.26046	0.4
112.25253	0.3
122.26881	0.3
128.25273	0.4
130.04945	0.5
141.08852	0.3
149.02290	0.6
149.04527	0.6
166.07179	0.5
172.06049	0.4
189.06427	0.4
201.06409	1.5
202.07140	1.8
203.08092	2.6
204.08752	6.1
215.07961	2.8
216.08749	100.0
217.09485	3.0
218.10289	6.4
225.06375	12.7
226.07156	4.0
227.07964	0.7
228.08731	1.3
229.09482	0.6
230.10335	9.8
240.08730	61.0
241.09471	1.9
242.10367	0.5
246.09763	6.0
258.09750	3.0
268.08218	4.6
272.11258	3.6
283.09363	0.7
300.10825	31.8
315.11789	0.4
333.12979	0.8
343.11496	0.5
361.12521	2.6
368.86035	0.3
375.14081	3.4
393.15027	18.3
393.19968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54855	0.9
53.03910	1.5
55.01842	4.5
55.05480	5.1
57.03409	1.7
57.07042	5.7
67.05481	40.7
69.03400	6.2
69.07044	10.9
70.16241	0.9
71.04566	1.4
71.04960	31.5
71.08603	1.5
75.08234	0.9
79.05461	28.9
81.03384	2.1
81.07024	79.0
83.04939	5.3
83.08588	5.0
85.02876	20.5
85.06514	23.0
86.09655	5.8
91.05440	18.3
93.07008	73.7
95.04922	6.8
95.08575	53.3
97.02862	1.8
97.06497	15.8
99.08056	9.4
105.07017	11.5
107.04905	2.5
107.08562	28.1
109.02812	1.1
109.06485	5.3
109.10117	4.8
111.08028	7.9
117.06986	15.2
119.08533	6.1
120.08108	1.3
121.02844	2.2
121.06442	6.3
121.10100	7.1
123.08034	1.4
131.08525	19.1
133.10081	23.3
135.08038	11.7
135.11647	72.8
139.07466	4.4
147.11601	1.5
149.02299	32.3
149.09572	1.7
149.13197	25.4
150.02643	6.1
151.11133	2.2
152.79430	1.1
153.09073	1.8
158.61916	1.0
159.11636	44.8
159.12938	1.6
161.05936	5.3
162.06213	2.0
167.03297	1.6
167.06929	1.6
177.09148	1.1
177.12677	48.9
180.62727	1.0
189.08971	1.5
195.13733	32.1
195.29158	1.1
207.10242	1.5
213.14781	100.0
232.09514	1.1
240.49051	1.2
325.72775	1.0
404.04761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23438	3.9
57.07051	19.7
69.07043	5.9
71.08618	9.0
83.01315	9.9
83.05025	4.0
107.34814	3.7
113.05902	4.0
124.53349	3.8
125.05927	24.8
126.41165	4.0
149.02293	100.0
159.85236	4.0
167.03299	5.3
167.10585	5.3
183.99199	4.6
194.83237	4.6
214.46840	4.8
248.48245	3.6
250.33060	4.2
331.35406	5.2
391.35760	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72823	0.2
53.03921	0.4
54.80907	0.3
55.01849	1.3
57.03402	1.4
57.07046	0.3
61.02893	1.8
64.32477	0.3
64.48410	0.3
69.03396	3.4
70.90991	0.3
71.04948	0.3
71.79583	0.3
75.93083	0.3
78.04660	0.3
79.05461	3.8
81.03390	2.3
81.07029	0.6
85.02872	11.3
91.05444	2.4
93.06977	0.4
93.09976	0.3
95.04926	1.4
97.02860	3.0
99.04418	0.3
103.05429	4.6
105.06985	2.8
106.04111	0.3
107.04917	47.5
107.08565	1.5
109.02836	0.7
109.06488	0.4
115.05392	2.8
117.06966	1.3
118.28277	0.3
120.05688	0.6
121.06435	0.4
123.04373	1.2
124.05139	2.5
125.05957	0.4
127.03866	0.6
131.04872	2.8
133.06433	0.4
135.04399	0.3
135.08005	15.1
137.05899	2.9
139.03833	0.3
145.04897	1.2
145.06535	0.3
145.07632	1.4
147.04387	0.3
149.02286	3.4
149.05981	0.4
150.02673	0.4
151.07504	0.6
152.04631	1.5
154.06174	2.1
163.07478	33.5
165.03282	0.3
165.05411	0.4
167.06970	100.0
168.07310	0.3
180.07758	3.5
181.08548	1.2
195.10092	34.2
196.10429	0.3
213.11142	58.4
214.11458	0.4
226.68298	0.3
394.96548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32772	0.6
55.56800	0.6
57.07065	10.2
57.07323	1.1
63.90630	0.7
65.03923	0.7
71.08610	7.3
106.94528	0.7
107.08568	0.8
113.62324	0.7
121.02842	5.7
136.29965	0.7
143.10458	0.6
147.21927	0.7
149.02299	100.0
167.03302	7.1
169.50565	0.7
172.84631	0.6
263.82755	0.7
274.31323	0.8
284.33240	0.7
391.24432	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57238	0.9
55.01854	1.6
55.05474	1.4
57.07055	24.0
57.59466	0.9
60.50481	0.9
67.05466	1.1
69.07025	5.9
69.82677	0.8
71.08604	15.3
73.10058	0.9
79.05463	43.8
81.07028	25.2
83.04951	1.0
85.10139	5.5
93.07022	7.6
95.04927	1.9
95.08552	1.9
97.06490	24.0
107.04927	2.5
107.08540	2.1
111.08038	2.7
113.05959	4.2
115.70232	1.1
121.10088	1.4
125.05946	70.9
125.06866	2.6
129.40913	1.0
135.11627	1.5
135.97592	1.0
137.09529	1.2
139.07500	35.4
143.05952	2.2
143.07002	39.5
149.02286	24.7
153.09076	18.8
167.10577	15.0
177.12692	1.2
181.12169	6.1
195.13730	5.4
209.15358	4.7
237.18379	1.9
265.21475	2.1
279.23035	1.5
391.35547	100.0
402.29681	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64062	0.4
53.03944	0.5
55.01858	0.8
55.05492	4.2
57.03416	1.0
57.07056	12.9
59.04986	0.8
61.02903	0.5
65.03896	0.7
66.98734	0.5
67.05477	4.9
69.03407	3.2
69.07048	9.1
70.06570	0.7
70.63087	0.6
71.04978	5.1
71.08599	9.6
73.02905	0.6
76.01177	0.4
77.57001	0.5
79.05442	3.9
81.03365	1.1
81.07025	16.1
83.04958	1.0
83.08611	2.5
83.70421	0.5
85.02883	8.5
85.06507	0.9
87.04425	1.2
88.42904	0.4
91.05437	7.6
93.07012	9.2
94.50068	0.5
95.04939	2.3
95.08567	21.9
97.02877	1.0
97.06480	2.9
105.06292	0.8
105.06994	15.4
107.04900	1.2
107.08559	11.4
108.05274	0.6
109.02837	0.9
109.06470	0.9
109.10125	8.8
111.08041	1.1
115.07514	4.8
116.00517	0.5
117.44040	0.5
119.04926	1.0
119.08540	32.5
119.84321	0.5
120.08021	0.5
121.02833	5.6
121.03939	0.6
121.10091	6.4
123.08012	1.2
123.11692	1.2
125.09579	0.8
127.03880	0.5
127.07523	2.5
131.08499	0.7
133.02730	0.5
133.10085	20.8
135.07996	0.5
135.11641	5.5
137.05914	0.8
137.13216	2.7
141.09047	1.1
145.10103	0.7
147.04381	4.1
147.11656	7.2
149.02290	100.0
149.13210	2.7
163.03831	2.7
163.14777	2.5
165.16426	0.7
167.03290	7.0
175.14758	34.0
181.04958	0.6
193.12148	0.8
193.15814	15.3
198.51778	0.7
211.16817	5.1
229.17906	7.5
308.71774	0.6
391.04056	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.3
55.05486	0.3
56.22421	0.2
57.07052	0.5
65.03893	0.2
67.05465	0.5
69.03397	0.4
71.04970	0.3
71.08578	1.2
77.03905	0.3
78.04659	0.4
79.05465	2.2
81.07018	0.5
82.17444	0.2
83.04950	0.5
84.50318	0.2
85.02853	0.9
91.04906	0.3
91.05444	7.8
93.07014	1.9
95.04920	1.5
95.08553	0.2
97.06479	0.3
99.04422	0.4
103.05421	2.8
105.03366	0.3
105.07002	4.4
106.04127	0.9
107.04919	6.5
107.08559	0.5
109.10104	0.3
115.05406	1.3
116.06200	0.3
117.06957	1.2
118.04107	1.3
119.04906	2.1
119.08517	0.8
120.05704	0.4
121.02818	0.4
121.06466	4.1
121.10084	0.9
123.04387	1.1
123.08031	0.4
123.11575	0.3
124.05215	0.7
128.06174	2.0
129.06950	6.6
130.07707	0.4
131.04874	5.3
131.08524	3.8
132.05667	0.9
133.06458	1.3
133.10077	1.1
134.03658	0.3
135.04407	0.2
135.08011	2.2
136.83591	0.2
137.05945	1.7
141.06909	0.3
144.05673	0.8
145.06419	1.8
146.03564	0.9
146.07220	4.9
147.04337	0.4
147.07993	0.5
148.05154	4.9
149.02289	12.2
149.05901	1.6
149.09512	0.5
150.06606	0.3
151.03857	0.4
151.07477	2.3
153.05379	0.5
155.06010	0.2
156.60538	0.2
157.06448	3.1
159.04353	0.3
159.07976	1.1
160.05104	0.5
160.08778	0.3
161.05920	100.0
161.09544	24.4
163.07487	4.1
165.05539	0.4
165.06941	1.0
165.09053	0.3
166.06166	1.1
167.03320	0.5
167.06970	14.6
171.08029	0.4
173.05898	0.3
174.06711	4.3
175.07449	4.4
177.05426	0.4
177.09042	0.4
179.07034	0.3
179.08543	0.5
180.07707	0.3
181.06799	0.3
181.08543	5.6
189.09032	36.0
191.07004	2.8
191.08504	0.3
191.10658	0.2
192.07738	0.4
194.07124	0.3
195.08015	0.5
195.32074	0.2
197.09564	0.5
201.09175	0.2
207.08257	0.9
207.10086	26.4
210.06703	0.5
211.07504	0.3
219.08035	0.3
219.10089	1.1
221.05911	0.4
223.07471	0.5
225.08978	0.9
227.07040	0.3
229.12222	0.3
235.07387	0.3
237.08963	0.3
239.07056	0.4
240.07713	0.4
251.06931	0.2
251.10548	0.3
253.08473	1.1
257.11667	1.0
279.10016	0.3
283.09555	1.1
285.11105	1.9
296.10403	0.3
299.12698	0.2
311.12564	0.4
315.12085	0.9
317.13623	2.4
329.13483	0.3
331.15335	0.5
343.15317	1.8
361.16357	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01853	1.1
55.05497	0.5
57.03421	0.3
57.07065	1.9
59.86287	0.2
65.03931	0.4
67.05477	0.4
69.03398	1.5
69.07013	0.3
71.04976	2.6
71.08607	1.7
73.06533	0.4
73.42482	0.3
74.42283	0.2
78.04702	2.2
79.05456	2.2
81.03384	1.6
81.07034	1.0
82.51741	0.2
83.04955	1.1
83.08580	0.6
85.02875	2.6
85.06528	1.2
87.00796	1.7
91.05455	3.3
93.07014	1.1
93.08716	0.2
95.04921	1.5
95.08547	0.6
97.02894	1.9
97.06491	0.3
97.10133	0.5
97.27143	0.2
99.04423	0.3
103.05404	0.6
105.07001	1.1
106.04142	1.6
107.04927	1.6
107.08566	3.5
109.02834	0.6
109.06463	0.5
109.10132	0.4
119.04901	2.9
119.08573	0.3
121.02817	1.2
121.06453	1.1
121.50464	0.3
122.03590	0.4
123.04375	5.4
124.05135	2.3
125.09595	3.7
127.03840	1.4
131.04868	1.1
133.06459	0.4
135.04425	0.3
135.11617	0.4
137.04880	0.6
137.05939	12.5
137.09576	0.4
143.10649	4.4
146.58815	0.3
149.02303	17.0
149.05884	0.5
151.03864	1.0
151.07474	3.6
152.04601	2.3
161.05896	1.1
163.07483	0.5
167.06984	100.0
168.07315	0.3
179.07027	0.4
181.08516	3.4
191.10712	0.3
193.08586	2.1
194.05502	0.3
200.69788	0.3
211.09512	2.3
339.52707	0.3
366.60599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.2
57.07052	0.4
62.72104	0.2
69.03409	0.2
71.08602	0.3
78.04694	1.7
79.05440	0.9
84.27349	0.2
87.00778	0.2
91.05438	2.6
93.07007	0.4
95.04922	0.4
95.72448	0.2
101.19935	0.2
103.05405	0.8
105.06969	1.1
106.04134	1.2
107.04913	1.3
119.04902	3.6
119.20168	0.2
120.03802	0.2
121.06441	0.9
122.03608	1.0
123.04376	5.8
124.05177	2.9
125.05833	0.2
125.50877	0.2
131.04945	1.5
133.06413	0.4
134.03568	0.2
136.05124	0.3
137.04872	0.4
137.05936	13.0
149.02293	6.6
149.05908	0.9
151.03835	0.8
151.07494	3.8
152.04654	1.8
161.05916	0.5
163.07474	0.2
166.06207	0.2
167.06976	100.0
168.07231	0.3
168.59833	0.2
181.08527	3.9
193.08521	2.0
194.05687	0.2
203.09077	0.2
206.09694	0.2
209.07986	0.8
211.09615	2.3
385.99106	0.2
391.16681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27777	0.4
55.01851	0.7
55.05490	1.0
57.07048	1.9
69.03386	0.6
71.04932	0.5
71.08598	2.0
72.23724	0.4
75.28031	0.3
78.04655	0.4
79.04977	0.4
79.05454	2.1
81.07030	1.8
83.04915	0.5
85.02853	0.7
85.06499	0.4
91.05438	9.8
93.07000	2.7
95.04919	1.0
99.04425	0.4
103.05425	2.8
105.07007	5.5
106.07314	0.6
107.04906	5.3
107.08537	0.7
109.10120	0.5
115.05426	1.7
116.06133	0.9
117.06979	0.9
118.04097	0.7
119.04928	3.5
119.08535	0.7
121.02811	0.7
121.06461	4.8
121.10086	0.8
123.04388	0.9
123.07969	0.5
128.06160	1.8
129.06931	6.6
131.04886	4.5
131.08521	4.2
132.05696	0.6
133.06438	2.6
133.10085	1.7
135.07988	1.1
137.05945	4.7
141.06958	0.6
144.05664	0.9
145.06418	2.4
146.03571	0.8
146.07216	6.8
147.04291	0.6
147.07979	1.0
148.05159	5.0
149.02298	23.5
149.05896	1.0
149.09569	0.9
151.03848	0.5
151.07494	2.6
152.04680	0.7
153.05357	0.7
157.06436	3.4
158.07166	0.6
159.07944	0.7
161.05917	100.0
161.09538	24.3
163.07469	2.7
165.05377	0.6
165.06911	0.4
165.09114	0.5
166.06166	0.5
167.03310	0.9
167.06984	12.8
167.08353	0.8
174.06708	5.7
175.07433	5.4
177.05441	0.5
177.09106	0.6
180.07784	0.4
181.08522	6.9
181.20190	0.4
182.07007	0.4
187.07309	0.5
189.09033	40.3
191.06938	3.0
195.07997	1.0
201.09055	0.9
207.10092	27.8
211.07455	0.6
212.08224	0.5
219.10083	2.9
225.09033	1.9
235.07547	0.6
252.07558	0.4
253.08582	1.8
257.11502	0.7
270.08682	0.6
283.09521	0.7
285.11096	2.1
297.11151	0.5
311.12671	0.5
315.11975	0.6
317.13611	1.7
343.15176	0.7
361.16348	1.9
391.07800	0.8
391.19302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54417	0.3
53.03934	1.0
54.80808	0.4
55.01846	1.8
55.05475	0.7
57.03411	0.7
57.07061	2.8
61.02894	0.6
62.92710	0.3
65.03910	0.4
68.99763	0.4
69.03403	4.8
69.07034	0.3
69.09219	0.4
71.04962	6.0
71.08578	1.5
73.02886	0.5
73.06487	0.4
78.04668	1.8
79.05440	1.4
81.03382	4.7
81.07032	0.7
83.04948	0.6
83.08581	0.9
85.02876	8.9
85.06509	2.1
87.00803	4.8
91.05428	3.8
93.06994	1.5
95.04928	2.6
97.02852	2.2
97.06490	0.4
97.10127	1.7
99.04391	1.5
103.05479	0.6
105.01823	1.5
105.06975	1.5
106.04131	1.6
107.04916	1.4
107.08562	6.8
109.02855	4.2
109.10092	0.4
119.04896	2.8
119.08559	0.5
121.02833	0.7
121.06428	0.9
122.03586	0.7
123.04369	5.2
124.05141	2.3
125.09583	7.6
127.03856	3.4
129.01814	0.6
131.04861	0.8
133.06435	0.7
135.11589	0.5
137.05928	12.6
143.10620	9.5
145.04895	1.4
146.63354	0.3
149.02289	19.1
149.05959	0.5
151.03841	0.7
151.07494	2.9
152.04611	2.1
159.02834	0.7
161.05829	0.5
163.07584	0.3
167.06973	100.0
167.10651	1.6
181.08525	3.6
193.08560	1.5
211.09557	1.9
215.87082	0.4
222.93913	0.4
229.17838	0.4
233.11739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16397	0.5
57.07059	1.0
63.02654	0.4
64.25186	0.4
71.08616	1.0
72.83118	0.4
78.04672	1.0
79.05458	1.0
81.07014	0.7
91.05445	9.0
93.07012	1.0
95.04919	2.0
103.05418	3.3
105.07016	3.9
107.04927	6.6
107.08562	0.7
109.06497	0.6
115.05424	0.7
116.06232	0.6
117.06969	0.9
118.04087	0.8
118.24135	0.4
119.04890	2.6
121.06470	4.4
123.04390	1.0
128.06152	2.6
129.06967	7.3
130.07813	0.6
131.04938	4.2
131.08493	3.3
132.05626	0.6
133.06421	0.9
133.10069	1.1
135.08044	1.0
136.56171	0.5
137.05940	2.2
144.05646	1.0
145.06483	0.7
146.03612	0.7
146.07222	5.8
147.07999	0.9
148.05122	4.4
149.02289	15.5
149.05806	0.6
151.07526	0.8
152.04674	0.7
157.06444	2.9
159.08026	0.9
161.05927	100.0
161.09550	24.4
163.07547	3.7
163.08638	0.5
167.03326	0.5
167.06978	13.7
174.06708	4.3
175.07478	5.7
177.09102	0.6
181.08539	6.5
189.09041	38.9
190.09506	0.6
191.06984	2.3
192.07664	0.6
207.10104	28.3
223.07593	0.5
225.09010	0.5
228.82158	0.6
237.09187	0.7
257.11749	2.2
283.09726	0.9
285.11197	2.4
315.12204	1.2
317.13766	2.3
343.15298	1.0
344.16272	0.6
361.16473	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	391.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54417	0.3
53.03934	1.0
54.80808	0.4
55.01846	1.8
55.05475	0.7
57.03411	0.7
57.07061	2.8
61.02894	0.6
62.92710	0.3
65.03910	0.4
68.99763	0.4
69.03403	4.8
69.07034	0.3
69.09219	0.4
71.04962	6.0
71.08578	1.5
73.02886	0.5
73.06487	0.4
78.04668	1.8
79.05440	1.4
81.03382	4.7
81.07032	0.7
83.04948	0.6
83.08581	0.9
85.02876	8.9
85.06509	2.1
87.00803	4.8
91.05428	3.8
93.06994	1.5
95.04928	2.6
97.02852	2.2
97.06490	0.4
97.10127	1.7
99.04391	1.5
103.05479	0.6
105.01823	1.5
105.06975	1.5
106.04131	1.6
107.04916	1.4
107.08562	6.8
109.02855	4.2
109.10092	0.4
119.04896	2.8
119.08559	0.5
121.02833	0.7
121.06428	0.9
122.03586	0.7
123.04369	5.2
124.05141	2.3
125.09583	7.6
127.03856	3.4
129.01814	0.6
131.04861	0.8
133.06435	0.7
135.11589	0.5
137.05928	12.6
143.10620	9.5
145.04895	1.4
146.63354	0.3
149.02289	19.1
149.05959	0.5
151.03841	0.7
151.07494	2.9
152.04611	2.1
159.02834	0.7
161.05829	0.5
163.07584	0.3
167.06973	100.0
167.10651	1.6
181.08525	3.6
193.08560	1.5
211.09557	1.9
215.87082	0.4
222.93913	0.4
229.17838	0.4
233.11739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.7
55.01857	3.0
55.05479	1.8
57.03406	1.0
57.07043	2.9
61.02903	0.6
66.20160	0.3
67.05452	0.6
67.34882	0.4
68.99753	0.9
69.03391	5.4
71.04954	9.5
71.08588	2.6
73.02881	0.8
73.06506	0.6
78.04666	1.6
79.05467	2.9
81.03379	7.0
81.07004	1.8
83.04952	2.0
83.08588	0.9
83.13671	0.4
85.02872	12.3
85.06499	2.8
87.00791	7.2
91.03913	0.5
91.05437	3.6
93.07014	0.8
93.77914	0.5
95.04922	4.8
95.08525	0.5
97.02860	5.3
97.10129	2.2
99.04391	2.6
105.01802	2.2
105.06964	1.6
106.04100	1.8
107.04915	1.6
107.08557	11.4
109.02840	5.2
119.04919	3.3
121.02818	0.8
121.06464	0.6
122.03623	0.8
123.04370	5.6
124.05133	2.1
125.09575	15.3
127.03838	4.0
129.01775	0.6
131.04909	1.3
133.06445	0.7
137.05919	11.3
137.09546	0.7
143.08467	0.5
143.09531	0.8
143.10616	14.4
145.04880	2.0
149.02287	25.7
149.05962	0.8
151.03827	0.8
151.07455	3.4
152.04640	1.6
152.99290	0.4
156.84990	0.4
159.02812	1.9
167.06963	100.0
167.10631	2.5
181.08455	4.2
193.08537	1.6
209.11700	0.7
211.09625	2.1
233.11577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36464	0.6
53.03929	1.2
55.01855	1.1
55.05502	0.7
56.96287	1.2
56.96545	17.4
57.03420	4.2
57.07054	1.7
59.04988	0.8
61.02915	6.3
68.65594	0.8
69.03403	9.3
71.04977	1.6
71.08604	1.8
72.08059	0.8
72.65360	0.7
73.02892	3.7
81.03391	4.9
84.95985	5.2
85.02876	17.7
87.04438	1.7
97.02859	12.3
98.97547	78.9
99.04424	3.6
100.99159	1.0
106.02847	1.2
109.02866	1.7
110.97520	12.7
111.04399	1.0
112.99129	5.7
116.98585	39.9
119.01839	4.0
121.06464	5.5
122.06756	1.3
127.00686	0.8
127.03892	4.9
128.02260	1.0
128.98563	22.0
131.00107	7.7
131.01822	1.0
133.01753	1.1
133.03397	1.6
134.99602	14.8
135.95062	0.8
137.02827	0.9
137.05859	0.9
143.00150	4.5
143.01878	1.0
145.01663	2.9
145.03426	1.7
145.04900	1.2
146.99632	11.3
147.03081	1.2
148.03842	1.7
149.01144	3.7
149.02252	26.4
154.03787	1.5
155.00131	0.9
155.01782	0.9
156.03609	0.9
157.03258	1.1
157.04410	1.3
158.99590	12.0
161.01158	7.3
161.02879	3.7
162.00165	0.7
162.99164	1.2
163.02704	2.8
163.04349	5.2
163.05899	0.7
163.54474	0.8
165.00748	1.8
169.01656	8.9
169.04396	1.1
170.99637	5.5
172.94345	1.6
173.01151	1.3
173.02904	1.7
175.02817	1.1
175.04445	2.9
177.00679	10.4
177.04248	1.1
178.04854	10.9
179.02229	1.1
185.02896	0.9
187.02718	24.7
187.04385	1.6
189.00650	6.4
191.02293	1.2
194.99806	1.3
195.01770	1.8
201.00507	5.5
202.98566	0.8
203.02293	1.2
203.04097	1.0
205.03815	12.1
205.05638	1.2
206.04323	0.8
207.01816	0.9
209.02742	0.9
211.02800	1.2
213.00629	1.1
214.95313	0.8
219.01688	52.4
221.05008	1.7
223.06505	0.9
229.03819	3.4
231.72958	0.9
232.96297	7.0
234.99622	0.7
237.02739	100.0
238.03078	1.2
242.03406	0.9
245.07761	0.8
255.03749	11.6
257.05127	1.5
259.06412	3.1
261.02695	12.4
271.04727	1.0
272.06421	3.0
273.02823	4.1
279.03735	11.6
286.97479	0.9
287.08713	1.4
288.09491	4.8
291.03766	5.8
295.06876	5.9
304.98547	1.7
331.06848	18.1
349.07913	33.9
367.08908	1.2
391.08939	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	390.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03926	1.3
53.89184	1.0
55.05494	10.0
57.03411	1.6
57.07046	2.4
61.02898	1.8
63.49267	1.0
64.33052	1.0
67.05477	19.0
69.03416	10.6
69.07043	20.3
71.04972	4.2
76.21628	1.0
79.05450	2.6
81.03358	1.1
81.06612	1.3
81.07029	20.3
83.04961	10.9
83.08577	7.6
85.02875	21.7
85.06518	4.2
91.05406	1.4
93.06997	12.7
95.04924	1.3
95.08572	41.3
97.02852	4.8
97.06499	1.7
97.10115	2.0
99.08044	8.0
105.07007	9.9
107.08554	23.6
109.06485	6.5
109.10120	100.0
111.08034	2.1
113.09573	1.9
119.08535	34.9
121.10123	21.6
123.08034	19.9
123.11673	14.2
127.03891	1.4
133.10088	42.9
135.11642	70.7
137.09579	20.7
147.11673	1.6
149.13232	9.7
151.11157	11.6
151.14755	14.2
153.12701	2.4
165.16289	2.4
175.14763	48.6
193.15811	51.9
211.16859	59.1
231.12981	1.1
281.60309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01854	5.2
57.03415	1.1
57.26184	0.6
61.02913	4.2
69.03401	5.5
73.02893	0.8
79.05469	6.6
81.03378	2.6
81.91854	0.5
85.02878	18.9
90.31438	0.5
91.05455	7.5
92.80624	0.6
95.04929	1.1
97.02862	5.4
97.73682	0.6
103.05432	8.9
105.06998	80.2
106.91491	0.5
107.04925	3.2
109.02838	1.0
109.06482	1.2
115.05421	16.7
116.98638	0.7
118.04147	5.4
119.04904	8.8
119.70305	0.6
121.06445	3.3
123.08011	0.7
127.03889	3.0
131.04886	3.0
132.05669	0.6
133.06450	73.5
134.03641	1.1
143.04941	1.1
143.05983	6.6
143.41071	0.6
145.04890	1.2
147.04335	1.0
149.05885	4.4
151.03853	2.1
151.07536	4.5
153.05421	4.8
161.05928	100.0
167.06992	2.5
168.07755	3.0
179.06955	1.2
180.08556	1.9
193.08539	46.6
196.07278	1.3
211.09602	10.0
228.12619	0.7
389.17609	4.4
390.18076	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	390.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.3
55.01853	0.6
55.05483	1.2
57.03414	0.4
57.07061	0.7
61.02899	1.4
67.05495	2.1
69.03414	2.3
69.07039	3.3
69.79710	0.3
71.04952	2.2
72.71532	0.3
79.05451	1.8
81.03392	0.6
81.07026	10.3
83.08580	0.5
85.02877	10.2
85.06499	0.3
91.05450	2.8
93.07009	7.9
93.43717	0.3
95.08568	15.5
97.02864	2.4
97.06439	0.3
99.08052	4.2
103.05430	0.4
105.06991	9.5
107.08562	13.4
109.02820	0.3
109.10149	3.6
113.09623	2.3
114.27625	0.3
117.06998	0.7
119.08535	55.9
121.10107	1.7
123.08049	0.5
123.11666	4.5
127.03858	0.5
131.04848	0.4
131.08511	1.3
132.87498	0.3
133.10083	100.0
135.11639	28.9
137.05922	0.3
137.09595	3.3
145.04887	0.6
145.10060	0.5
147.11630	4.3
149.13330	0.3
160.12415	0.7
167.06975	3.8
175.14757	81.8
183.43556	0.4
193.15804	13.8
211.16858	26.6
214.10426	0.3
227.07909	0.4
228.08441	0.3
241.09660	0.4
242.09969	1.3
256.11508	0.6
270.09326	0.4
284.10992	2.0
312.10269	0.5
330.11365	1.8
358.10919	1.5
396.02502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23996	0.2
53.03920	0.2
55.05488	0.4
56.96538	0.5
57.03411	0.4
60.43749	0.2
61.02896	1.1
65.03904	1.3
67.05472	1.6
69.03410	3.8
70.31577	0.2
73.02894	1.0
79.05468	0.4
83.04954	5.2
85.02877	4.7
89.03883	3.2
91.05451	0.6
93.03367	1.9
95.04933	4.1
97.02856	1.3
98.97557	1.2
99.04398	0.3
107.04922	3.0
111.04411	9.0
116.98589	0.4
117.03339	5.4
118.28321	0.3
119.04869	1.2
121.02802	1.0
121.06406	0.3
123.04342	1.1
127.03863	1.2
129.05424	4.3
135.04367	19.8
137.02277	1.8
137.05911	0.3
138.02644	0.5
139.02831	0.6
139.03845	6.8
143.00119	0.3
145.02802	14.0
145.03947	0.5
147.04349	2.3
147.06459	2.4
153.05438	1.6
157.04907	2.0
161.01089	0.3
161.08606	0.3
163.03844	100.0
170.99559	0.4
181.04922	1.3
189.00659	0.4
193.07013	3.6
201.00456	0.3
209.04315	0.3
249.02779	0.4
294.05988	0.6
319.07791	0.5
329.03891	0.3
337.08887	0.3
355.10013	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	390.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19654	0.2
54.80902	0.2
55.77133	0.1
57.04235	0.2
59.14421	0.1
60.20691	0.1
65.03903	0.3
67.05468	1.2
69.03407	0.8
79.05456	0.4
83.04953	2.7
85.02866	0.8
89.03885	3.2
93.03367	0.8
94.89153	0.2
95.04922	1.7
106.61376	0.2
107.04929	1.9
111.04403	3.6
117.02534	0.3
117.03340	6.8
121.02862	0.2
121.06431	1.0
123.04380	0.2
129.05431	1.4
132.24130	0.2
135.04367	16.9
137.02264	0.8
138.02634	0.3
139.02917	0.3
139.03860	3.2
143.24452	0.2
145.02805	13.6
145.03958	0.5
147.06499	0.4
157.04897	0.4
163.03845	100.0
164.04152	0.3
181.04901	0.4
193.06940	0.9
204.94449	0.2
206.71155	0.2
285.90753	0.2
344.99615	0.2
355.10141	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.5
55.54137	1.5
55.65536	1.7
57.07069	3.6
60.64387	1.6
62.89107	1.4
64.25340	1.7
67.05484	11.2
69.07048	18.5
73.06542	2.2
76.62095	1.7
79.05468	8.4
81.07031	42.3
83.08597	13.9
85.06516	3.6
91.05440	10.3
93.07005	22.8
95.04975	4.5
95.08580	27.8
97.10117	4.5
99.08049	9.0
105.06977	20.0
105.91190	2.0
107.08575	34.2
109.06495	4.2
109.10129	22.9
110.89910	1.5
111.08054	6.8
111.64671	1.7
117.07011	3.9
119.08540	26.6
121.10101	19.2
123.08016	6.9
123.11678	11.1
125.09605	3.0
127.07442	2.0
131.08522	16.9
133.10100	20.1
135.11647	15.6
135.80176	1.9
143.08551	4.4
145.10062	26.1
147.11656	25.3
149.09578	6.6
149.13206	10.6
151.11137	7.4
157.10040	8.0
159.11588	20.0
161.13184	12.4
163.11124	3.8
163.14842	2.5
165.12801	1.9
169.10062	9.3
171.11627	11.1
173.13223	13.6
175.14717	8.3
177.12775	2.8
183.11617	3.6
185.13216	8.6
187.14722	15.7
189.16383	2.7
191.14270	3.6
197.13246	2.1
199.14772	7.4
201.12633	1.8
201.16367	7.2
211.14735	2.3
217.15929	3.5
219.17421	2.4
225.16241	2.3
227.17973	2.7
229.19594	2.0
237.16348	3.3
241.19334	2.0
253.19429	2.7
269.18790	2.1
281.05042	1.8
283.20554	2.9
297.25616	2.1
315.26788	2.7
321.25528	7.5
339.26801	26.8
357.27747	100.0
371.29266	7.4
389.30344	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	389.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64125	1.0
55.01858	2.0
55.05495	34.5
57.03420	8.8
57.07055	3.3
67.05481	96.3
69.07042	42.6
71.04973	7.1
76.53033	1.3
79.05460	38.5
81.07029	100.0
83.04945	8.3
83.08583	14.3
85.06511	8.2
91.05448	20.1
92.62394	1.5
93.07013	47.7
95.04941	1.7
95.08573	85.6
97.06499	8.9
97.10143	7.1
99.08031	1.9
105.06996	17.1
107.08549	25.9
107.09122	1.7
109.10129	41.7
111.08044	2.6
111.11716	1.9
119.08518	14.9
121.10101	26.5
123.11680	10.1
125.09598	2.5
127.69903	1.3
131.08524	8.5
133.10071	13.0
135.11671	16.7
137.13219	3.0
139.11053	5.0
145.10063	10.2
147.11659	10.5
149.13240	8.7
159.11551	4.3
161.13210	8.7
163.14806	1.8
173.11691	1.9
173.13239	3.2
175.14789	1.8
179.14249	2.0
187.14767	1.7
200.25299	1.6
229.14195	2.1
243.21060	6.3
261.21976	16.1
272.65085	1.5
279.23105	32.4
297.24173	2.9
353.26761	23.0
371.27765	25.0
388.29285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50106	0.7
54.81250	0.8
55.01846	2.2
55.05243	1.5
55.05493	29.3
57.03419	9.1
57.07054	5.1
59.04951	1.2
59.62379	0.8
65.03905	0.9
67.05479	96.5
69.03393	1.6
69.06676	2.0
69.07040	39.4
71.04626	1.0
71.04950	9.3
79.05460	36.5
81.07023	100.0
83.04949	5.7
83.08585	18.7
85.06507	6.3
91.05448	14.9
92.61639	0.9
93.06428	1.8
93.07005	41.7
95.04923	1.7
95.08569	76.1
97.06487	9.3
97.10127	8.2
99.08041	1.0
105.06992	11.2
107.07884	1.6
107.08561	27.0
109.06477	1.4
109.09404	1.8
109.10119	40.5
109.10870	1.6
111.08034	6.1
117.06927	1.6
119.08546	11.6
121.06541	1.1
121.10091	21.4
123.08061	1.0
123.11691	11.1
125.09566	1.7
131.08495	7.9
133.10115	10.5
135.11655	16.4
137.09573	1.8
137.13196	4.0
139.11130	2.3
145.10062	8.5
147.11658	7.1
149.09523	1.5
149.13210	4.8
151.11145	1.2
159.11655	5.0
161.13203	7.3
163.11124	1.2
163.14728	2.0
173.13135	3.3
175.14745	1.5
177.16386	1.2
187.14778	2.3
201.16368	1.1
213.14796	1.1
229.14218	2.0
243.20992	5.2
261.22052	12.4
279.23090	37.2
297.24191	5.2
315.61066	1.1
326.19165	1.0
335.25839	1.0
347.81610	1.1
353.26712	28.1
371.27820	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	389.2164
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03913	1.5
54.26371	0.8
55.01854	1.5
55.05504	12.4
57.03418	9.0
57.07057	3.6
59.04975	4.1
60.17031	0.9
61.02897	6.7
63.71828	0.9
65.79358	1.0
67.05485	7.4
69.03403	15.2
69.07052	9.3
70.03723	1.3
70.78793	0.8
70.95884	1.0
71.04965	12.7
73.02886	1.3
73.06532	1.1
79.05470	8.5
81.03392	3.9
81.07027	18.4
83.04964	7.2
83.08588	13.2
84.11420	0.9
84.61003	1.2
85.02882	43.5
85.06511	5.1
86.03201	1.3
87.04442	4.0
89.03886	2.2
91.05441	10.1
93.07001	17.3
95.04935	100.0
95.08572	14.5
97.02852	8.9
97.06499	25.4
97.10107	1.7
98.03176	1.1
99.04416	28.5
99.08073	6.6
104.52039	0.9
105.06996	22.2
107.04949	1.7
107.08562	24.9
109.02872	2.0
109.06487	49.3
109.10124	15.9
111.04417	1.0
111.08053	5.4
113.09568	1.9
115.07506	4.6
117.03307	5.0
119.08530	13.7
121.06467	1.0
121.10110	36.6
123.08067	7.3
123.11650	5.6
125.05804	1.1
125.09592	4.1
126.18791	1.0
127.03872	2.5
131.08528	13.2
132.00801	1.1
132.95757	1.9
133.10091	51.5
135.04364	8.7
135.05269	1.2
135.07957	7.6
135.11615	5.4
137.09528	1.5
139.11151	14.8
145.02818	6.4
145.04968	1.2
145.10077	4.9
147.11665	30.4
149.09627	1.4
149.13255	7.7
150.96907	1.2
151.11130	8.3
153.09061	28.4
158.10843	2.2
158.97359	1.9
163.03853	29.3
163.14847	7.4
164.04207	4.9
165.12669	2.1
167.14275	6.3
170.09566	1.5
171.10117	2.5
173.13206	19.2
186.96822	1.7
191.14258	22.9
193.04710	1.4
209.15318	70.0
227.16344	35.3
234.98918	6.1
250.76677	1.0
264.45401	1.2
285.55545	1.1
288.42331	1.0
300.06912	1.1
314.73682	1.0
389.17828	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	389.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22384	1.0
54.88763	1.1
55.05487	15.4
57.03422	7.4
57.07055	6.5
59.04964	1.1
59.09895	1.0
59.85155	1.0
61.02898	2.8
67.05479	10.7
69.03398	24.9
69.07037	13.5
71.04961	7.0
72.08112	2.7
79.05466	7.4
81.03373	1.7
81.07015	23.1
82.52116	1.1
83.04951	11.2
83.08582	10.0
84.08127	1.3
85.02869	29.8
85.06519	8.6
91.05445	11.1
93.06998	18.6
95.04939	23.2
95.08558	28.3
96.08916	5.2
97.02869	4.7
97.06483	28.5
97.10123	7.4
99.04404	2.1
99.08042	13.1
105.06989	25.2
106.12854	1.4
107.08554	40.4
109.02818	1.8
109.06480	64.4
109.07201	2.5
109.10126	17.2
111.04401	1.3
111.08027	13.3
113.05967	1.6
113.09646	1.4
115.07545	2.9
117.06989	1.9
119.08537	17.9
120.08887	1.1
121.10095	35.6
123.07988	8.7
123.11668	6.1
125.05934	2.9
125.09578	61.3
125.13249	1.2
127.03925	1.2
127.07475	2.8
131.08533	15.0
131.99266	1.4
133.10081	51.5
135.08023	13.5
135.11656	5.9
137.09566	4.5
139.07472	5.6
139.11150	2.3
143.08551	2.3
145.10072	6.4
146.77184	1.3
147.11647	32.9
149.09569	74.3
149.13216	9.7
150.09938	1.5
151.11143	17.0
153.09050	36.2
154.09798	2.6
158.10892	2.6
163.14777	11.1
164.08458	1.3
165.12692	8.8
167.14250	2.7
173.13177	25.2
174.23834	1.1
191.14240	37.3
207.13728	2.3
208.14073	2.9
209.15312	100.0
214.36243	1.2
227.16339	32.1
349.14777	1.2
389.14938	1.3
411.97345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2162
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
50.64198	1.3
55.05487	8.9
57.03412	6.9
57.07045	3.9
59.04983	2.6
61.02922	4.1
67.05475	8.5
69.03406	10.5
69.07033	14.4
71.04965	11.3
74.18493	1.4
75.52141	1.7
79.05463	13.9
79.38290	1.5
81.07025	30.3
82.93237	2.1
83.04977	2.3
83.08575	8.0
85.02873	31.6
85.06509	3.1
91.05447	11.8
93.07011	20.8
93.74908	1.6
95.04921	30.8
95.08581	16.6
97.06496	47.2
99.04413	11.0
99.08057	4.3
105.06994	34.0
107.08568	32.2
109.06486	100.0
109.10101	19.0
111.08055	8.5
113.09573	2.4
115.07501	7.3
117.06984	3.7
119.08543	25.0
121.06491	2.4
121.10101	36.6
123.08026	10.9
123.11647	3.1
125.09618	2.7
127.03822	2.4
131.08536	23.8
133.10089	76.2
135.07947	12.8
135.11627	3.6
137.05960	8.2
139.11130	2.5
143.08559	1.9
145.10068	8.9
147.11632	50.5
149.09532	2.0
149.13203	6.8
151.11154	4.0
153.09061	26.8
158.10847	3.2
163.11220	1.9
163.14783	10.6
165.12683	3.3
167.06940	14.7
173.13190	33.2
191.14220	35.4
209.15306	76.0
227.16330	43.4
230.75101	1.7
264.38373	1.9
354.80292	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2159
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05493	4.1
57.03411	2.3
57.07050	1.1
59.04960	1.7
61.02889	1.2
63.54222	0.9
64.25966	0.9
65.10977	0.8
67.05479	2.0
69.03403	27.7
69.07040	2.3
71.04973	15.5
79.05464	4.9
81.03374	2.5
81.07018	8.2
83.04964	12.1
83.08611	1.6
85.02874	17.9
89.05988	8.2
93.07005	9.0
93.07502	1.1
95.08562	6.9
97.02827	3.5
97.06487	4.5
99.04414	5.5
99.08102	1.4
103.37344	1.0
105.06998	4.0
107.08569	7.3
109.02862	1.8
109.06484	1.6
109.10134	7.7
111.08021	1.4
112.24107	1.1
116.04533	1.1
119.08540	5.4
121.10108	35.4
123.08021	1.6
123.11633	2.0
125.09588	6.1
127.03857	4.5
131.08566	1.5
133.10081	6.0
135.07985	1.2
137.05954	1.5
139.11134	100.0
145.04941	2.1
146.07268	0.9
147.11644	1.4
149.09552	4.8
149.13214	2.2
151.11078	2.1
167.14244	4.2
169.12173	2.4
189.07535	4.0
191.14246	2.3
209.15286	11.2
227.16348	12.3
399.38934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.216
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.58836	1.4
54.07951	1.3
55.05487	11.6
57.03401	3.0
57.07051	2.1
61.02915	1.4
63.72556	1.5
67.05504	5.4
69.03416	13.1
69.07042	12.8
71.04956	3.9
79.05447	3.6
81.03392	3.2
81.07023	19.3
83.01324	6.6
83.04929	9.9
83.08601	2.0
85.02882	34.2
85.06498	2.9
91.05454	6.7
93.07012	26.3
95.04938	5.6
95.08563	19.7
97.02864	6.3
97.06477	10.3
99.04407	2.8
99.08058	22.9
101.05957	2.3
105.06980	13.9
107.04915	7.3
107.07887	2.5
107.08554	41.3
109.02828	1.7
109.06496	11.5
109.10130	24.8
111.08042	8.5
119.08517	6.5
121.06432	8.9
121.10106	44.4
123.08026	15.1
123.11682	3.6
125.09573	14.4
126.56654	1.7
127.03869	3.9
131.08528	12.4
133.10095	27.9
135.08040	17.1
135.11644	7.7
137.09557	9.9
139.07503	7.1
139.11134	14.3
145.10071	3.4
147.11670	6.9
147.46248	1.7
149.09589	43.3
149.13240	18.6
151.11147	16.1
153.09030	9.2
163.11176	1.8
163.14778	16.8
173.13190	18.2
176.25984	1.8
191.14261	37.8
199.11739	1.9
209.15309	100.0
217.96362	1.5
227.16351	7.1
319.64218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.216
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.22384	1.0
54.88763	1.1
55.05487	15.4
57.03422	7.4
57.07055	6.5
59.04964	1.1
59.09895	1.0
59.85155	1.0
61.02898	2.8
67.05479	10.7
69.03398	24.9
69.07037	13.5
71.04961	7.0
72.08112	2.7
79.05466	7.4
81.03373	1.7
81.07015	23.1
82.52116	1.1
83.04951	11.2
83.08582	10.0
84.08127	1.3
85.02869	29.8
85.06519	8.6
91.05445	11.1
93.06998	18.6
95.04939	23.2
95.08558	28.3
96.08916	5.2
97.02869	4.7
97.06483	28.5
97.10123	7.4
99.04404	2.1
99.08042	13.1
105.06989	25.2
106.12854	1.4
107.08554	40.4
109.02818	1.8
109.06480	64.4
109.07201	2.5
109.10126	17.2
111.04401	1.3
111.08027	13.3
113.05967	1.6
113.09646	1.4
115.07545	2.9
117.06989	1.9
119.08537	17.9
120.08887	1.1
121.10095	35.6
123.07988	8.7
123.11668	6.1
125.05934	2.9
125.09578	61.3
125.13249	1.2
127.03925	1.2
127.07475	2.8
131.08533	15.0
131.99266	1.4
133.10081	51.5
135.08023	13.5
135.11656	5.9
137.09566	4.5
139.07472	5.6
139.11150	2.3
143.08551	2.3
145.10072	6.4
146.77184	1.3
147.11647	32.9
149.09569	74.3
149.13216	9.7
150.09938	1.5
151.11143	17.0
153.09050	36.2
154.09798	2.6
158.10892	2.6
163.14777	11.1
164.08458	1.3
165.12692	8.8
167.14250	2.7
173.13177	25.2
174.23834	1.1
191.14240	37.3
207.13728	2.3
208.14073	2.9
209.15312	100.0
214.36243	1.2
227.16339	32.1
349.14777	1.2
389.14938	1.3
411.97345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81307	0.3
58.39986	0.3
79.05441	0.3
91.05423	3.2
95.04915	0.5
123.11533	0.3
124.04615	0.3
133.10060	0.5
147.04320	0.5
174.71771	0.4
181.04848	0.4
203.05188	1.2
209.11450	3.0
209.15253	0.4
217.21605	0.3
227.12456	4.4
321.92490	0.3
335.01056	0.3
369.76630	0.4
389.17648	100.0
390.18051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14698	0.2
57.03412	0.2
59.03358	0.2
66.84091	0.2
69.03407	0.5
73.02870	0.4
81.06997	0.4
85.02872	1.6
86.03222	0.3
89.03893	0.2
92.09358	0.7
95.04932	1.1
95.08569	0.2
96.63409	0.2
97.06499	0.2
99.04360	0.3
105.07005	0.5
107.08551	0.3
109.06493	0.4
119.08519	0.2
121.10099	0.4
123.08013	0.3
127.03902	0.3
133.10074	0.9
135.04362	0.9
136.04727	0.3
145.02835	0.5
146.03169	0.4
147.04381	0.4
147.11678	0.3
149.05959	0.2
153.05431	5.2
154.05753	2.7
163.03839	4.1
164.04189	3.3
166.57639	0.2
167.06989	0.2
173.13190	0.3
188.04106	0.2
191.14279	0.3
192.07372	0.2
195.06500	0.4
196.06822	0.3
203.03334	1.1
203.05183	0.8
204.03641	1.0
209.11459	4.5
209.15385	0.9
227.05266	1.2
227.12479	8.4
232.03119	0.2
271.26611	0.2
333.92386	0.2
339.07132	0.3
340.07455	1.3
389.17700	100.0
390.18250	0.4
405.82275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48664	0.3
52.92107	0.3
54.98819	0.3
62.59137	0.3
62.60620	0.4
67.05485	0.4
67.18932	0.4
68.58170	0.4
73.02879	0.9
77.98806	0.4
78.84778	0.4
85.02887	0.8
90.20349	0.4
91.05450	7.4
92.09324	0.6
92.62565	0.4
95.04929	1.0
117.75229	0.4
133.10045	0.5
134.26892	0.4
140.04631	1.8
147.04390	0.7
149.09590	0.8
150.30624	0.4
155.06970	3.0
171.06531	0.5
172.49532	0.4
181.04886	6.0
195.67744	0.4
203.05167	0.6
209.08080	1.5
209.11429	3.0
223.80798	0.4
227.09097	3.6
227.12480	4.3
230.47916	0.4
232.25702	0.4
303.48672	0.4
353.10587	0.6
389.17679	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.2
55.01644	1.8
55.01855	31.4
55.05481	10.0
55.47045	1.6
56.50091	1.6
57.03405	2.2
60.10313	1.7
65.03914	46.4
65.22498	1.6
67.05464	9.9
67.21790	2.0
69.03401	3.5
69.07045	23.1
71.04964	13.9
71.66273	1.7
72.05276	2.3
79.05463	14.6
81.07022	32.7
82.04156	12.4
82.07380	2.2
83.08586	4.4
85.02850	12.7
85.06504	10.3
91.05444	18.3
92.08735	2.8
93.03337	13.1
93.07011	34.1
94.07327	2.2
95.01295	3.4
95.04914	13.9
95.08553	23.0
97.02888	2.0
97.06504	19.5
98.06778	2.3
103.05414	12.7
105.06477	1.7
105.07008	24.3
106.07325	2.4
107.04900	12.3
107.08549	53.9
108.02015	3.2
108.08857	15.6
109.06481	14.5
109.10078	4.3
109.77370	1.9
110.03619	40.1
110.06815	3.2
111.04402	32.7
111.08042	2.9
115.05395	3.5
115.70743	1.9
117.06953	3.8
119.08521	15.2
120.08833	3.3
121.02793	21.0
121.06446	10.8
121.10097	40.8
122.03613	2.4
122.10423	12.3
123.04346	3.2
123.08033	3.1
124.05131	2.8
125.05935	45.5
126.04712	2.0
128.06091	2.9
129.06979	16.4
131.04855	18.5
131.08522	18.0
132.05681	2.1
133.10077	95.7
134.10414	33.7
135.08012	20.3
135.11618	4.7
136.08322	3.3
137.05942	30.7
138.03036	8.7
141.06940	3.7
142.02538	2.2
143.08426	2.9
144.05679	3.3
145.06468	7.0
145.10086	7.5
146.10472	2.7
147.07968	2.7
147.11624	22.1
148.11974	4.5
148.44580	2.2
149.02258	10.4
149.05963	4.6
149.09569	2.5
149.13220	19.9
150.13538	7.7
151.03871	4.1
152.06100	3.3
153.05420	37.6
153.06731	3.4
157.06427	13.6
158.10788	2.7
159.08034	2.9
159.11266	2.1
160.05170	3.5
161.05914	4.4
161.09518	3.9
162.06685	3.0
163.03851	2.7
163.07462	3.6
163.14746	59.8
164.15111	30.0
165.06911	7.6
167.06964	21.3
167.08330	5.2
169.06395	3.5
171.06436	4.7
173.13162	21.6
174.06657	13.5
174.13547	11.4
175.07431	24.5
177.05370	18.3
178.07695	3.9
179.08597	2.9
181.04915	72.5
181.06392	12.3
182.07219	4.6
183.06422	3.6
183.07977	4.2
187.07452	7.6
188.08279	2.8
189.07234	2.4
189.08994	16.5
190.07661	2.7
191.12515	4.4
191.14235	100.0
192.14552	42.4
193.86777	1.9
195.08006	15.3
196.08722	2.6
197.05923	7.5
197.09511	2.5
199.07495	2.6
201.09048	7.8
204.09607	2.0
205.06534	3.3
206.07214	7.3
207.08034	7.6
209.05881	8.0
209.08002	18.2
210.06683	13.0
211.07506	13.9
212.08244	7.9
218.07219	3.8
219.08041	6.3
219.10005	38.3
221.05986	3.0
221.09520	6.7
222.06731	2.6
223.07491	16.1
223.10873	2.9
224.08231	4.1
225.05437	2.3
225.08891	13.4
227.06865	17.2
227.10551	4.5
231.08029	3.1
234.06635	9.8
235.07462	8.5
236.08145	3.0
237.08923	10.8
238.06123	17.5
238.09793	10.3
239.06999	14.0
239.10590	4.1
240.07645	33.0
241.08458	4.8
242.05728	2.6
246.06732	2.3
247.07608	2.1
248.08138	3.1
249.09050	17.1
249.11189	3.7
250.06323	2.4
250.09746	3.8
251.06885	12.9
251.10573	3.1
252.07707	12.8
253.08507	56.7
253.12025	17.1
254.09279	7.3
255.06374	10.8
255.09972	20.6
257.07965	10.0
261.09042	7.5
263.06882	4.6
265.08441	4.9
266.09152	10.4
267.06357	4.0
267.10059	11.2
268.07089	13.7
269.07797	9.2
270.08807	10.0
277.08493	17.6
278.09290	2.8
279.09955	4.8
281.08249	13.6
281.11554	13.2
282.08670	7.7
283.09537	24.8
284.10260	10.0
285.11047	8.9
285.14685	3.3
294.08679	2.6
295.09464	8.9
296.10391	3.2
298.08304	4.1
298.11777	4.1
299.12759	16.6
300.09650	2.6
303.10825	2.6
309.11102	25.6
310.11752	4.3
311.51349	2.4
313.10519	23.9
313.14264	10.8
327.12143	76.7
329.13867	2.5
331.15149	10.9
339.12112	15.3
341.13699	17.4
359.14758	84.1
371.14774	17.9
389.15768	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	389.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.2
55.01644	1.8
55.01855	31.4
55.05481	10.0
55.47045	1.6
56.50091	1.6
57.03405	2.2
60.10313	1.7
65.03914	46.4
65.22498	1.6
67.05464	9.9
67.21790	2.0
69.03401	3.5
69.07045	23.1
71.04964	13.9
71.66273	1.7
72.05276	2.3
79.05463	14.6
81.07022	32.7
82.04156	12.4
82.07380	2.2
83.08586	4.4
85.02850	12.7
85.06504	10.3
91.05444	18.3
92.08735	2.8
93.03337	13.1
93.07011	34.1
94.07327	2.2
95.01295	3.4
95.04914	13.9
95.08553	23.0
97.02888	2.0
97.06504	19.5
98.06778	2.3
103.05414	12.7
105.06477	1.7
105.07008	24.3
106.07325	2.4
107.04900	12.3
107.08549	53.9
108.02015	3.2
108.08857	15.6
109.06481	14.5
109.10078	4.3
109.77370	1.9
110.03619	40.1
110.06815	3.2
111.04402	32.7
111.08042	2.9
115.05395	3.5
115.70743	1.9
117.06953	3.8
119.08521	15.2
120.08833	3.3
121.02793	21.0
121.06446	10.8
121.10097	40.8
122.03613	2.4
122.10423	12.3
123.04346	3.2
123.08033	3.1
124.05131	2.8
125.05935	45.5
126.04712	2.0
128.06091	2.9
129.06979	16.4
131.04855	18.5
131.08522	18.0
132.05681	2.1
133.10077	95.7
134.10414	33.7
135.08012	20.3
135.11618	4.7
136.08322	3.3
137.05942	30.7
138.03036	8.7
141.06940	3.7
142.02538	2.2
143.08426	2.9
144.05679	3.3
145.06468	7.0
145.10086	7.5
146.10472	2.7
147.07968	2.7
147.11624	22.1
148.11974	4.5
148.44580	2.2
149.02258	10.4
149.05963	4.6
149.09569	2.5
149.13220	19.9
150.13538	7.7
151.03871	4.1
152.06100	3.3
153.05420	37.6
153.06731	3.4
157.06427	13.6
158.10788	2.7
159.08034	2.9
159.11266	2.1
160.05170	3.5
161.05914	4.4
161.09518	3.9
162.06685	3.0
163.03851	2.7
163.07462	3.6
163.14746	59.8
164.15111	30.0
165.06911	7.6
167.06964	21.3
167.08330	5.2
169.06395	3.5
171.06436	4.7
173.13162	21.6
174.06657	13.5
174.13547	11.4
175.07431	24.5
177.05370	18.3
178.07695	3.9
179.08597	2.9
181.04915	72.5
181.06392	12.3
182.07219	4.6
183.06422	3.6
183.07977	4.2
187.07452	7.6
188.08279	2.8
189.07234	2.4
189.08994	16.5
190.07661	2.7
191.12515	4.4
191.14235	100.0
192.14552	42.4
193.86777	1.9
195.08006	15.3
196.08722	2.6
197.05923	7.5
197.09511	2.5
199.07495	2.6
201.09048	7.8
204.09607	2.0
205.06534	3.3
206.07214	7.3
207.08034	7.6
209.05881	8.0
209.08002	18.2
210.06683	13.0
211.07506	13.9
212.08244	7.9
218.07219	3.8
219.08041	6.3
219.10005	38.3
221.05986	3.0
221.09520	6.7
222.06731	2.6
223.07491	16.1
223.10873	2.9
224.08231	4.1
225.05437	2.3
225.08891	13.4
227.06865	17.2
227.10551	4.5
231.08029	3.1
234.06635	9.8
235.07462	8.5
236.08145	3.0
237.08923	10.8
238.06123	17.5
238.09793	10.3
239.06999	14.0
239.10590	4.1
240.07645	33.0
241.08458	4.8
242.05728	2.6
246.06732	2.3
247.07608	2.1
248.08138	3.1
249.09050	17.1
249.11189	3.7
250.06323	2.4
250.09746	3.8
251.06885	12.9
251.10573	3.1
252.07707	12.8
253.08507	56.7
253.12025	17.1
254.09279	7.3
255.06374	10.8
255.09972	20.6
257.07965	10.0
261.09042	7.5
263.06882	4.6
265.08441	4.9
266.09152	10.4
267.06357	4.0
267.10059	11.2
268.07089	13.7
269.07797	9.2
270.08807	10.0
277.08493	17.6
278.09290	2.8
279.09955	4.8
281.08249	13.6
281.11554	13.2
282.08670	7.7
283.09537	24.8
284.10260	10.0
285.11047	8.9
285.14685	3.3
294.08679	2.6
295.09464	8.9
296.10391	3.2
298.08304	4.1
298.11777	4.1
299.12759	16.6
300.09650	2.6
303.10825	2.6
309.11102	25.6
310.11752	4.3
311.51349	2.4
313.10519	23.9
313.14264	10.8
327.12143	76.7
329.13867	2.5
331.15149	10.9
339.12112	15.3
341.13699	17.4
359.14758	84.1
371.14774	17.9
389.15768	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	389.1585
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03931	1.7
55.01609	2.1
55.01857	40.7
57.03402	1.4
63.96207	1.1
65.03915	10.9
66.17585	1.0
67.05470	5.6
69.03404	4.6
69.07046	1.7
71.04945	1.5
79.05453	8.7
81.03360	1.4
81.07010	5.0
82.04160	2.0
85.02876	14.8
87.51752	1.2
91.05447	36.2
93.07017	1.9
95.04906	7.7
97.02901	1.1
97.06490	5.2
103.05432	24.7
105.06992	7.7
106.04072	1.4
106.80174	1.2
107.04295	1.3
107.04912	11.4
107.08575	1.5
108.02075	2.1
109.06488	1.6
109.10137	1.3
110.03614	8.1
111.04408	2.8
115.05442	2.0
117.06974	5.3
119.04929	1.8
119.08547	2.0
121.06467	8.0
121.10077	1.4
122.03620	3.2
123.04359	7.2
123.11646	1.4
124.05192	2.3
125.05963	5.2
128.06192	2.7
129.06978	18.5
131.04883	29.0
131.08498	3.1
133.06534	1.7
133.10086	5.6
137.05928	38.7
138.03104	1.8
139.03889	1.8
140.04651	1.8
141.06934	1.5
142.02541	2.5
144.05597	1.3
145.06433	7.5
146.03644	1.4
147.04330	2.5
148.05112	1.6
149.05940	12.7
151.07515	2.2
153.05402	9.0
157.06464	13.2
158.07239	1.9
159.04272	1.6
160.05136	6.6
161.05969	2.8
163.04008	1.9
163.07506	7.9
167.06967	23.8
171.06573	10.0
171.07771	1.3
173.05969	1.5
174.06685	10.3
174.13602	1.4
175.07481	15.7
177.05392	26.9
177.09079	1.4
179.06931	1.5
181.04892	100.0
181.06487	3.3
183.06456	2.2
186.06775	1.5
187.07480	5.5
189.07303	2.1
189.09045	17.7
191.06946	2.6
191.14258	1.4
199.07582	1.6
201.09018	2.0
206.07127	2.0
207.06412	1.6
209.08032	28.8
217.06511	2.7
217.08569	5.4
218.07231	2.5
219.08012	5.3
219.10081	14.4
222.06592	1.5
231.07899	1.6
232.08846	1.5
233.09508	2.4
234.06789	8.9
235.07458	4.8
235.09608	1.3
246.06667	2.1
247.07391	5.1
248.08069	2.0
249.08940	12.7
251.06731	1.7
261.08896	8.7
262.06244	1.7
263.07001	2.4
264.07880	1.5
265.08594	3.0
277.08536	18.5
278.09140	2.5
279.10129	2.3
281.11652	1.7
291.10080	2.5
293.08044	2.6
293.11557	2.3
307.09354	1.8
309.11066	2.5
321.10983	2.0
339.11996	13.0
371.14725	15.5
386.54846	1.8
389.15839	40.5
391.42624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	4.8
55.05489	1.3
55.64449	0.5
57.03408	2.7
61.02892	2.4
61.62814	0.5
65.03912	3.8
67.05473	3.6
69.03402	6.3
69.07031	2.5
71.04959	2.8
73.02887	36.4
79.05453	1.4
81.03362	2.9
81.07007	2.5
82.04162	0.9
83.04942	1.0
83.08556	0.6
85.02875	14.6
91.03906	0.6
91.05418	2.7
92.09343	2.0
93.03355	1.2
93.07023	7.8
95.04924	20.2
95.08545	0.8
97.02889	4.3
97.06483	3.3
99.04398	3.6
105.06982	3.5
107.04910	2.5
107.08552	8.1
109.02848	1.5
109.06474	4.5
109.10108	2.9
110.03602	2.4
111.04383	1.2
115.07516	2.4
119.04870	1.1
119.08572	2.2
121.06445	1.4
121.10091	13.5
123.04369	10.2
123.11640	1.1
125.02318	1.3
125.05907	1.3
127.03868	0.8
131.08473	2.6
133.02773	0.7
133.10085	10.2
135.08054	0.8
138.03047	0.9
140.04639	57.8
142.02568	1.2
147.04370	2.3
147.11664	1.4
149.09521	0.9
149.13173	0.6
151.11093	2.4
153.05405	2.2
153.09042	4.7
155.06979	53.2
163.14716	2.4
167.06963	1.3
169.12306	0.7
171.06439	6.9
173.08044	5.6
173.13176	3.0
179.03384	1.1
179.06998	2.3
180.03648	1.4
181.04886	100.0
181.08446	3.8
191.14223	4.1
209.08025	16.4
209.15331	7.6
227.09062	71.0
227.16376	2.5
314.01071	0.6
389.17685	25.8
391.75436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.4
65.03939	1.1
73.53768	1.0
75.26379	1.1
79.05469	1.3
81.07014	1.1
85.02883	1.9
91.05450	1.9
93.06998	1.1
95.04942	2.2
95.08559	1.4
99.04377	1.4
103.05414	8.5
107.04932	1.7
108.04459	1.4
109.10107	1.2
119.08579	1.5
123.04375	1.9
128.06183	1.3
129.06964	4.9
131.04892	9.9
131.08510	5.0
133.10080	1.5
137.05937	5.3
141.06941	2.3
146.05972	1.7
147.04341	1.3
151.07484	1.1
153.05489	1.3
167.07251	1.6
170.08345	2.0
171.06441	1.6
171.09163	1.3
174.05421	1.5
174.06750	7.5
175.07483	5.1
177.05342	2.2
181.04866	8.1
182.09662	2.2
183.09160	1.8
184.09853	2.0
185.07091	2.2
185.10735	6.8
186.06569	1.5
189.08923	10.0
195.09073	5.0
198.07755	8.9
199.08612	38.7
199.12238	1.7
201.08981	1.7
207.06572	1.3
209.08174	1.3
209.10675	7.1
210.09071	1.4
211.08749	2.4
211.12259	1.4
212.09279	13.0
213.06662	12.8
213.10167	37.7
214.07329	5.0
215.08130	5.4
218.07253	1.4
219.10120	16.4
222.07777	1.8
225.10194	2.7
226.07346	5.3
226.10912	2.3
227.05943	1.7
227.08113	41.9
227.11632	22.3
228.08713	10.0
229.06046	1.6
229.09677	8.5
234.06612	2.3
237.10211	9.9
238.08621	2.2
239.08047	5.6
239.11769	1.5
240.08730	15.0
241.06033	22.2
241.09628	77.9
242.10181	1.9
243.07782	1.4
243.11278	1.5
245.12787	16.4
253.09633	1.4
254.10448	2.5
255.07545	9.3
255.11188	80.2
256.08401	2.1
257.09113	14.2
259.10748	2.8
261.09201	1.7
265.09570	5.8
267.11142	2.0
268.08377	2.1
269.09122	25.9
270.09924	6.2
273.12097	9.1
277.08521	2.7
283.07333	4.5
283.10675	90.3
295.10727	8.0
297.08533	4.3
300.10864	1.7
301.08356	2.3
301.11755	9.5
311.10153	44.4
313.11777	5.4
327.12228	1.4
329.11209	100.0
330.11835	1.5
339.09338	2.4
355.18692	1.3
357.10687	72.6
371.15112	2.0
389.13135	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	389.122
Annotation	3'-Demethylnobiletin
Peak:m/z	Relative Intensity
50.47213	0.3
55.05492	0.4
57.07050	0.7
71.04962	0.9
79.05467	0.4
81.07012	0.5
83.04929	0.6
91.05441	0.9
92.08714	0.7
105.06989	0.6
106.01678	0.5
119.04919	0.6
133.06413	0.5
151.00156	0.5
153.01758	0.6
165.01776	1.8
175.01469	2.9
176.01865	1.0
179.06932	2.3
181.01253	7.6
181.08574	1.0
193.01257	0.6
194.09332	1.8
197.04439	0.8
211.07437	0.7
229.08656	0.5
239.06990	0.6
240.04457	0.5
255.06400	2.3
256.07230	1.0
267.06458	2.1
270.05194	1.5
273.03979	0.7
283.05893	6.0
284.06659	7.9
285.07468	2.7
287.05435	0.9
298.04559	2.3
298.07880	0.5
299.05441	3.4
299.09055	8.1
300.09692	3.7
301.03320	0.6
301.06992	0.9
302.07645	0.5
311.05402	2.2
312.06131	5.7
312.18182	0.5
313.03787	0.5
313.06699	3.4
314.04169	1.0
315.04898	7.8
316.05704	1.9
327.04895	6.2
327.08554	2.0
328.05722	1.4
328.09204	10.3
329.06534	4.3
330.07315	0.8
331.07986	4.8
332.13269	2.1
339.04742	0.6
341.06357	3.5
343.04312	6.2
343.08035	18.4
344.05054	4.6
344.08780	0.7
345.05963	1.0
345.09586	14.0
355.07916	5.6
356.08514	0.9
357.06015	3.0
357.09698	2.7
358.06665	2.2
359.07440	19.9
360.08206	1.9
373.09058	24.9
374.09814	15.9
389.12155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.122
Annotation	3'-Demethylnobiletin
Peak:m/z	Relative Intensity
50.12468	0.5
67.05469	0.6
68.81374	0.4
73.67190	0.4
93.06978	0.6
95.08562	1.0
105.06998	1.0
107.08526	0.8
108.02052	3.3
109.07737	0.5
109.10126	0.5
118.46046	0.5
119.08547	4.4
120.30666	0.5
121.10050	0.7
131.08539	1.0
133.10081	2.0
136.01529	2.3
137.02327	1.0
143.08492	1.0
145.10077	11.6
145.11116	0.9
154.02545	2.2
155.08504	1.2
157.10043	0.8
159.11617	3.9
169.06410	1.0
171.11630	2.0
173.13196	2.4
177.05403	9.5
178.06181	0.9
185.13197	0.9
187.14763	8.9
192.07724	11.6
193.08527	2.7
195.06398	3.5
197.05925	1.2
201.16193	0.8
211.07523	0.9
213.16270	0.8
225.05435	1.1
238.06125	0.8
239.06813	3.7
242.05560	0.7
253.04883	2.3
254.05591	0.9
257.07980	2.0
266.05789	1.9
267.06372	12.3
269.07965	0.7
270.05151	4.6
282.05075	3.6
283.05930	2.2
284.06628	4.2
285.07385	5.3
294.05109	3.1
295.05923	13.7
298.04611	11.7
299.08975	3.4
300.09781	3.7
302.07617	0.6
310.04617	0.8
312.06174	6.0
313.06915	5.3
326.04224	4.1
327.08551	2.0
328.09283	43.2
329.06265	1.0
330.07053	0.7
331.08112	2.4
340.05664	2.1
343.04425	0.8
343.08008	15.9
344.05142	0.9
345.09488	3.1
354.86606	0.5
355.08005	4.7
356.08759	34.4
357.05844	0.5
358.06854	0.8
359.07483	11.4
373.09079	8.9
374.09845	8.1
389.12146	100.0
389.31848	3.1
394.19357	0.6
395.44360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.05248	0.9
55.05497	22.9
55.67500	0.9
57.03420	10.4
57.07053	1.5
57.76120	0.9
65.03899	1.1
67.05482	84.9
69.07040	22.3
71.04956	6.6
71.20835	0.8
75.50829	0.9
79.05462	26.2
81.07027	100.0
83.04951	3.4
83.08591	12.7
84.07314	0.8
85.06527	7.2
89.25561	0.9
91.05444	16.3
93.07005	31.6
95.04939	2.1
95.08570	88.4
97.06490	6.8
97.10123	5.1
99.08086	1.5
105.06991	11.4
107.08568	17.2
109.06486	1.4
109.10121	23.2
111.08052	2.3
117.06982	1.6
119.08546	16.9
121.10098	15.6
123.08031	1.3
123.11671	8.5
131.08546	7.0
133.10089	7.8
135.07983	1.0
135.11627	11.0
137.13202	1.6
145.10086	2.5
147.11609	6.4
149.09555	1.0
149.13185	4.5
152.97679	1.1
159.11662	2.1
161.13191	6.7
177.16222	1.0
179.14273	1.0
211.46501	1.1
243.21034	1.0
261.22006	5.8
279.23047	2.1
335.25491	1.9
353.26718	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	1.0
58.89608	0.7
59.24565	0.7
60.15413	0.9
69.03394	1.0
72.08118	1.1
87.04472	7.0
89.05998	100.0
91.05444	3.6
105.03366	1.3
107.04903	1.3
107.07031	4.9
107.08529	1.6
118.53780	0.9
133.08565	39.3
149.09601	1.2
163.07455	1.1
177.11177	11.6
226.11324	1.1
226.14355	1.0
231.36745	1.0
231.89789	1.0
239.14769	1.2
241.99303	1.1
246.24687	1.0
283.17459	1.6
327.20120	2.3
348.09647	1.5
371.22614	36.9
388.16522	8.2
403.91544	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00305	0.5
51.04804	0.5
53.03925	0.8
55.05487	2.9
57.07055	0.9
65.03912	0.9
67.05474	4.3
69.07045	9.3
71.04967	14.9
79.05447	6.3
81.07021	12.8
83.04936	1.0
83.08569	4.0
85.02858	1.0
85.06507	8.1
88.76193	0.6
91.05428	6.2
92.08765	0.7
92.62965	0.6
93.07001	18.3
95.04924	4.1
95.08559	13.8
97.06490	18.3
103.05337	0.6
105.06988	18.0
107.08553	37.6
109.06486	8.5
109.10098	2.9
111.08006	4.5
117.06968	2.7
119.08521	14.0
120.07281	0.6
121.06448	1.0
121.10092	37.5
123.08005	3.5
131.08514	11.8
133.10080	100.0
135.08003	17.0
135.11641	2.6
143.08492	2.8
144.09276	0.8
145.10078	7.6
147.11638	19.3
149.09569	2.8
149.13200	20.8
158.10835	6.7
163.11110	0.8
163.14752	32.7
173.13191	24.8
191.14235	96.6
236.24033	0.7
327.12137	0.7
359.15073	1.2
383.34445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01861	1.7
55.05496	2.2
57.03436	0.7
57.07059	3.1
61.02890	0.7
65.03906	0.4
66.54031	0.4
67.05488	4.5
67.22214	0.4
67.47981	0.4
69.03427	3.9
69.07039	11.6
70.33150	0.4
71.04958	1.1
73.02862	0.7
79.05453	2.8
81.03384	3.8
81.07027	23.4
83.04935	0.6
83.08582	3.7
85.02879	8.7
85.06511	2.2
87.00786	1.7
91.05457	4.2
93.07005	11.1
95.04951	0.9
95.08566	8.8
95.30043	0.5
95.38779	0.5
97.02834	2.4
97.06503	5.5
99.04445	0.7
105.01843	1.0
105.06994	7.9
107.08561	17.2
109.02856	1.8
109.06463	1.0
109.10128	6.2
115.05405	0.6
117.06953	0.5
119.08536	4.0
121.06445	0.8
121.09368	0.5
121.10094	19.9
123.08026	10.3
123.11661	96.1
127.03851	3.8
129.06932	0.6
131.08522	7.2
133.10089	36.4
135.08011	9.1
135.11667	5.8
137.05952	4.5
137.09567	1.0
138.06288	2.5
139.03864	0.9
145.04935	1.0
145.10063	2.9
147.11667	1.1
149.09555	2.0
149.13203	2.3
151.03802	0.6
158.10851	2.0
159.02840	0.7
163.14772	7.5
173.13199	13.6
181.04880	0.6
182.05305	0.9
191.14246	100.0
231.04938	1.1
248.48181	0.5
353.19217	0.5
388.14694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	1.1
55.05493	4.4
57.07056	1.2
59.94765	1.0
60.41979	0.8
65.03927	1.1
65.57719	0.9
66.80194	1.0
67.05476	5.3
69.03412	1.8
69.07045	6.1
70.21290	0.9
71.04967	14.2
79.05459	5.1
81.07028	6.0
83.04948	1.0
83.08588	5.0
85.02876	4.1
85.06501	8.7
87.08078	1.1
91.05457	6.7
93.07011	20.4
95.04915	1.7
95.08559	13.9
97.06503	19.0
103.94850	1.0
103.96825	1.1
105.07011	19.2
107.08560	28.4
109.06484	5.7
109.10126	4.6
111.08053	6.6
117.06977	2.0
119.08516	14.7
119.09213	1.1
121.10101	35.0
123.08004	1.9
131.08513	13.1
133.10085	100.0
135.08012	19.2
137.05920	1.7
138.06281	1.1
143.08598	1.6
145.10101	8.1
147.11656	15.5
149.09570	1.1
149.13184	24.0
158.10867	7.8
173.13187	24.6
181.04964	1.2
191.14241	76.8
209.08093	1.1
217.62874	1.1
232.79956	1.1
248.87083	1.1
313.51300	1.5
348.89780	1.2
358.41788	1.2
389.15677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16750	1.0
53.03920	1.7
55.01864	1.4
55.05482	1.7
57.03421	2.2
57.07032	2.0
59.04972	1.8
64.52224	1.2
67.05475	5.3
68.92421	1.2
69.03403	84.3
69.07036	5.5
71.04968	2.1
73.48963	1.3
73.72055	1.4
79.05453	6.9
81.07030	9.6
83.04931	9.8
83.08562	1.7
85.02888	18.5
85.06528	5.0
91.05425	8.2
93.07009	6.6
95.04973	1.7
95.08574	17.9
96.55701	1.5
97.02854	6.0
97.06483	7.8
103.05405	1.9
105.06985	8.3
107.07883	1.9
107.08562	32.6
109.06464	7.6
109.10120	5.6
111.08050	6.4
117.06985	1.4
119.08520	9.9
121.06493	2.9
121.10110	19.5
123.08044	7.0
123.11639	5.7
125.09586	33.5
127.03896	1.7
131.08504	12.3
133.10075	8.7
135.08003	22.7
135.11656	9.8
137.05901	2.6
137.09537	1.5
138.06287	1.6
143.08466	2.5
145.10088	7.9
147.11636	6.4
149.09561	11.2
149.13196	6.1
151.11107	2.1
153.09044	9.9
158.10818	7.7
163.11136	3.2
163.14719	6.5
165.12637	2.3
173.13191	39.7
181.04941	2.1
191.14252	89.7
208.14098	1.8
209.15298	100.0
210.15773	1.7
218.29910	1.5
251.30405	1.6
383.17529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01851	0.2
56.96544	1.2
57.03411	0.7
59.04993	0.1
61.02904	0.6
69.03405	2.3
71.04967	0.2
73.02877	0.2
73.58267	0.1
75.98780	0.1
77.03876	0.2
81.03400	0.5
83.04964	0.5
84.96014	0.1
85.02877	4.0
86.09667	0.5
87.04437	1.1
89.03861	0.2
91.03928	0.1
91.05455	2.2
93.03410	0.2
93.07009	4.4
95.04942	1.1
97.02859	2.2
98.14243	0.1
98.97567	1.2
99.04414	0.2
103.05430	2.6
105.04506	0.1
109.02850	0.5
111.04401	0.6
113.05993	0.2
115.03902	1.0
116.98597	0.6
117.03331	0.2
119.01799	0.2
121.06464	100.0
122.06793	0.5
123.04380	0.1
127.03857	1.0
128.02235	0.7
128.98607	0.2
133.01683	0.1
133.04924	0.7
134.99597	0.5
135.04362	0.5
136.06161	0.6
137.02287	3.0
138.09097	16.1
138.54063	0.1
139.03825	0.3
143.00143	0.2
145.03900	0.1
145.04866	1.2
146.99626	0.2
147.04378	0.5
149.02309	0.1
158.99585	0.2
161.01201	0.5
163.03839	1.7
163.05925	0.2
170.99615	0.1
173.02808	0.1
173.08078	0.1
177.00676	0.5
179.03378	0.6
182.03339	0.4
189.00624	0.2
197.04344	0.2
200.59131	0.1
201.00661	0.2
203.02304	0.2
214.96169	0.1
219.01784	0.4
235.06375	0.1
237.02724	0.7
239.11256	0.1
248.99236	0.5
267.00064	0.3
365.03644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.24787	0.3
55.01843	1.2
55.05480	1.7
57.03403	0.6
61.02890	1.4
66.81278	0.3
67.05482	0.6
69.03398	4.6
69.07033	0.3
71.04960	0.6
73.02888	0.5
76.08777	0.2
79.05444	4.1
79.35024	0.3
81.03360	2.5
81.07017	1.2
83.04944	0.7
83.08580	1.4
84.08907	0.4
85.02869	10.6
85.69248	0.3
86.03223	0.7
87.00784	4.1
88.06194	0.3
91.05428	0.7
93.06998	1.2
95.04920	5.7
95.08570	1.4
96.05265	1.2
96.08925	0.3
97.02847	5.6
97.06485	0.7
99.04404	2.4
103.05436	3.1
105.01810	4.9
105.06988	100.0
106.07336	0.5
107.04905	0.5
107.08545	2.4
108.08911	1.2
109.02831	2.4
109.06491	1.5
109.10086	0.5
110.06806	0.5
110.10430	0.4
111.08062	0.7
117.06951	0.3
119.08527	1.8
120.08890	0.4
121.06451	0.6
121.10109	1.5
122.09596	0.4
123.08019	2.7
124.08356	0.7
125.09631	1.4
127.03881	6.4
129.05324	0.4
129.06950	0.4
133.10062	1.1
135.07961	0.5
137.05949	1.4
137.09561	3.7
138.09863	1.5
143.08569	0.3
145.04938	2.7
145.06041	0.3
145.06239	0.3
145.10051	0.5
147.07973	0.5
147.11612	0.4
149.09586	1.5
150.09850	1.1
151.07503	0.6
152.07765	0.4
154.57028	0.3
159.02824	0.6
159.08092	0.5
161.13322	0.4
162.13472	0.4
163.11046	0.7
165.09045	19.5
165.12698	0.5
165.35452	0.3
166.09380	12.8
189.12679	0.7
190.12997	1.3
191.10614	0.7
191.14186	0.4
192.10915	0.5
207.13718	3.2
208.14154	2.8
225.14737	1.0
226.15202	0.5
231.04987	1.6
249.06007	1.5
249.14812	1.1
250.15195	0.6
292.16171	0.5
352.18100	0.5
402.37668	0.3
406.29572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57111	0.3
53.11905	0.3
55.01843	0.6
55.05503	0.5
56.96534	0.4
65.03909	2.2
67.05482	4.6
68.99763	3.7
69.03394	2.1
69.67390	0.4
76.33001	0.4
80.41244	0.4
81.03382	0.5
83.04943	10.4
83.06030	0.4
85.02866	4.4
87.00781	2.2
93.03368	4.8
95.04929	2.7
97.02847	0.5
105.53804	0.4
107.04953	0.4
109.02843	1.9
111.04408	14.6
121.02832	4.6
123.04397	0.9
127.03876	0.6
129.05426	3.9
135.04330	0.5
137.02295	100.0
139.03853	4.4
147.04359	0.4
149.02271	6.7
151.03857	0.9
155.03328	0.5
157.04869	3.1
161.02272	5.3
163.03894	0.7
175.06050	0.5
179.03326	15.3
179.04881	0.7
197.04378	11.0
205.06683	0.6
217.07040	1.6
342.61893	0.5
353.08572	2.5
371.10126	0.6
388.12265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	6.4
55.01856	8.9
55.05487	1.8
57.03418	8.6
60.62463	0.9
61.02897	5.9
68.99780	1.5
69.03401	43.0
71.04959	5.5
73.02882	9.6
79.05459	4.2
80.04989	1.1
81.03378	26.9
83.01321	1.4
85.02873	100.0
87.00795	41.0
91.03905	2.1
91.05437	2.1
93.07043	1.8
95.04925	7.4
96.05235	1.5
96.16499	1.1
97.02853	31.8
97.06457	1.1
98.03181	1.3
99.04401	15.4
103.05452	1.3
105.01824	38.7
105.03332	1.8
105.06290	1.9
105.06989	48.7
107.08578	7.1
108.08849	1.4
109.02839	30.4
109.06451	1.5
115.03848	1.2
117.01806	5.1
119.08551	2.3
121.10123	2.0
123.04417	1.1
123.08021	4.2
127.03864	58.0
129.01775	2.0
131.08482	2.4
133.10091	6.3
137.05933	9.2
137.09573	1.5
138.06348	2.2
140.02187	1.0
145.04918	18.7
145.10030	1.5
147.02788	1.6
147.08000	1.4
149.09566	1.2
159.02846	13.9
165.51073	1.1
167.06944	1.4
189.03888	2.3
191.10619	2.3
191.14320	2.1
209.11784	1.5
213.03964	1.5
226.15138	1.8
231.04875	15.1
249.05992	6.6
249.14738	1.9
388.14868	5.1
388.19916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2003
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
51.85457	0.7
53.03912	1.1
55.01842	1.3
55.05490	16.6
57.03406	3.4
57.25804	0.8
59.04990	0.8
61.02889	2.0
67.05469	3.3
69.03403	14.3
69.07031	1.1
71.04961	4.4
73.02888	0.9
76.55084	0.8
79.05444	4.5
81.03381	7.6
81.07021	6.1
83.04948	4.9
83.08582	14.7
85.02874	18.2
85.06499	1.1
87.04422	1.5
91.05437	6.9
93.06981	7.1
95.04926	47.7
95.08548	5.2
97.02841	10.2
97.06474	4.7
99.04411	10.1
99.14976	0.8
103.05430	1.3
105.06972	7.8
107.08553	24.3
109.02823	4.0
109.06469	10.5
109.10114	1.9
111.04400	3.9
111.08021	4.6
113.09592	1.0
117.06972	2.1
119.08536	9.1
121.06464	3.5
121.10088	5.4
123.04362	3.4
123.08010	22.6
123.11649	2.1
125.05934	3.4
125.09559	6.2
127.03840	1.9
131.08516	3.8
132.36971	0.8
133.10071	5.0
135.08002	4.5
137.05899	8.3
137.09567	15.6
139.11107	1.7
143.08575	1.0
145.10103	5.0
145.70146	0.9
147.08011	5.1
147.11641	3.8
149.09549	13.7
151.07495	4.8
153.07031	0.9
153.09023	4.4
159.11652	1.0
160.08755	1.0
161.09506	1.1
161.13217	1.5
163.11131	2.0
165.09047	100.0
165.12694	2.1
167.10602	2.0
171.11699	1.5
173.09428	1.2
181.12166	1.0
189.09076	1.2
189.12706	9.0
191.10619	5.3
195.13593	1.1
207.13721	17.8
223.13271	1.1
225.14761	9.6
233.11720	1.1
249.14772	20.0
261.14719	4.2
267.15793	1.3
273.14728	1.0
279.15744	1.8
291.15756	4.4
321.16730	0.9
351.17804	7.6
369.18732	1.9
387.19894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2002
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03920	1.7
53.80046	1.1
55.01840	1.8
55.05490	9.0
57.03403	2.7
57.07043	1.9
59.04974	1.6
61.02891	1.6
67.05481	18.7
69.03402	100.0
69.07055	11.3
71.04949	6.3
76.77934	1.1
79.05466	16.3
81.03384	8.9
81.07025	32.4
83.04940	6.5
83.08577	2.3
85.02878	14.6
91.05437	7.5
93.07011	19.1
95.04926	15.0
95.08575	21.0
97.02824	5.5
97.06482	7.3
99.04410	1.9
105.06989	45.3
107.04904	6.1
107.08553	15.6
108.10194	1.2
109.06465	22.9
109.10106	10.4
111.08035	8.6
117.06939	2.1
119.04913	1.3
119.08536	28.8
121.06445	6.9
121.10092	22.2
122.03617	2.2
122.07219	1.9
123.04395	22.7
123.08047	12.4
123.11652	1.9
125.09560	2.2
127.03904	1.3
128.66107	1.2
131.08536	2.1
133.06439	14.4
133.10080	61.4
135.07997	5.2
135.11627	2.6
137.05939	44.5
137.09573	45.8
139.11134	34.9
143.08470	1.5
145.10083	6.4
147.08009	7.1
147.11641	35.8
149.09579	2.9
151.07516	10.3
151.11069	2.0
153.09116	1.4
156.09300	9.6
159.07977	2.4
159.11613	6.8
161.09547	1.3
161.13203	14.1
163.11108	8.8
165.12735	1.8
166.32774	1.4
167.06917	1.4
171.11633	13.0
174.10300	11.4
178.08733	1.2
181.04790	2.0
189.12660	38.4
207.13730	81.7
215.06557	1.3
217.99142	1.3
225.14775	46.7
357.13254	1.4
358.38824	1.4
387.14093	6.9
393.33325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2004
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
51.29386	0.5
55.05481	2.8
55.34642	0.6
57.03405	1.2
57.07056	5.7
59.04973	0.7
67.05476	22.4
68.21401	0.6
69.03395	1.7
69.07041	1.0
71.04950	1.3
79.05464	1.4
81.07030	4.5
83.04930	1.4
85.02866	6.7
85.06509	11.8
91.05427	1.8
93.07008	7.3
95.04916	1.2
95.08567	100.0
97.06526	1.4
105.06984	5.2
107.08567	10.4
109.06495	1.6
109.10138	2.7
109.47408	0.7
113.05966	7.5
119.08540	17.7
121.06476	1.1
121.10091	7.2
123.08019	30.3
123.11636	5.7
131.08568	0.9
133.06458	0.9
133.10112	1.7
135.07919	0.8
135.11658	10.5
137.09558	2.8
145.04915	0.8
145.10075	0.9
147.08008	1.4
147.11636	5.9
149.09570	27.7
151.07503	1.1
151.14783	3.0
151.16388	0.7
161.13203	7.9
163.11118	1.7
165.12692	3.3
171.11670	1.1
179.14188	1.2
189.12680	9.5
207.13734	33.2
387.15915	1.4
391.80075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1428
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.26311	0.4
53.03918	0.5
55.01849	0.7
65.03911	2.0
67.05479	1.2
73.09106	0.5
77.03904	0.5
79.05461	2.2
85.02867	1.1
91.05442	2.3
92.09349	1.7
93.06956	0.5
93.76535	0.4
94.04146	2.9
95.04939	1.2
97.06499	1.0
103.05421	10.0
105.07000	1.8
106.04145	0.8
107.04899	2.0
107.08572	0.5
110.03604	0.7
115.05398	2.7
117.06979	3.7
118.04111	2.3
119.04884	0.5
121.06438	0.9
122.03603	8.6
123.04382	0.7
127.46077	0.6
130.04150	0.6
131.04871	6.6
132.05753	0.6
133.02859	0.7
133.06459	0.7
135.04381	0.6
135.08040	0.6
137.05933	100.0
137.11594	0.6
139.03902	2.2
143.04895	3.5
145.06445	3.2
148.05153	5.9
149.05945	1.9
149.93159	0.5
151.03864	15.2
151.04962	1.5
153.05383	0.5
160.05193	0.5
161.05934	0.9
163.03821	0.7
163.07491	8.4
167.06987	8.7
171.06453	2.3
173.05919	2.4
175.07451	0.6
176.04642	1.0
177.05351	0.8
181.04887	20.1
181.06476	0.7
189.09111	0.7
191.06973	14.0
203.07037	1.1
205.08496	1.0
233.08131	0.7
235.09610	0.7
357.13196	4.6
387.14240	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	387.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41302	0.4
50.83912	0.4
62.59652	0.5
66.40250	0.5
69.47394	0.4
77.00874	1.2
95.34534	0.5
101.00842	14.7
101.01509	0.5
113.82977	0.5
115.02386	0.6
119.01878	36.5
127.02394	0.9
127.23085	0.5
131.01894	0.6
133.03398	4.7
137.02899	5.0
139.02371	3.5
143.01868	7.0
145.03416	15.7
157.03415	33.9
161.02898	8.4
163.04471	5.5
171.04965	0.5
175.04459	19.0
181.05559	3.6
187.04390	0.5
205.06822	100.0
223.06554	37.2
241.07594	16.2
265.07648	7.1
279.09155	7.5
387.13318	73.3
388.13498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1419
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01849	0.5
56.95543	0.2
57.03402	0.2
59.04968	0.2
63.45488	0.2
65.03899	0.5
66.04699	0.2
67.05466	0.4
69.03381	1.1
79.05447	1.2
81.03336	0.3
81.07000	1.3
82.04173	0.2
85.02874	2.2
91.05441	1.4
92.63474	0.2
93.06979	1.0
94.04147	2.4
95.04892	0.5
95.08550	1.3
97.02837	0.5
105.06975	1.3
107.04913	0.3
107.08559	1.8
109.06433	0.4
109.10088	0.5
115.05427	2.1
117.06940	2.0
119.08509	1.6
121.06498	0.4
121.09241	0.3
121.10088	0.6
122.03591	9.1
123.04344	0.4
123.08028	1.6
125.05966	0.3
125.09536	0.2
125.52118	0.3
129.68590	0.2
133.10089	0.4
135.04399	0.4
137.05927	100.0
137.09431	1.7
138.03047	0.3
138.06311	0.4
143.04851	2.7
145.06429	2.7
149.09587	1.2
151.03842	1.3
151.11037	0.3
155.06024	0.6
161.13229	0.4
163.03830	1.3
163.11186	0.3
164.04182	0.4
167.06958	6.6
171.06456	1.2
173.05927	3.2
175.07396	0.4
181.04868	11.4
189.12706	0.9
196.14886	0.3
203.07036	0.4
205.08540	2.0
207.13712	2.9
225.14740	0.5
233.07965	0.3
235.09575	1.0
357.13156	5.9
387.14221	19.1
387.19653	1.0
388.14365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.0
72.08121	0.6
77.00863	1.0
80.50354	0.6
89.89898	0.6
94.78648	0.6
97.02877	1.0
98.97546	3.5
99.04425	0.7
101.00841	13.4
115.02411	1.0
119.01885	39.3
127.02406	1.2
128.98576	0.7
129.03127	0.7
131.01900	1.1
133.03461	4.3
134.05998	1.2
136.06070	0.7
137.02884	5.2
139.02362	3.7
143.01872	5.8
145.03453	13.7
150.05594	0.8
151.04520	0.7
152.07063	2.7
157.03407	33.5
161.02928	8.4
163.04396	3.5
169.03236	0.7
171.04976	0.7
175.04483	22.0
181.05536	1.2
187.04460	0.7
205.06831	100.0
213.30573	0.7
222.89890	0.7
223.06567	38.5
239.04272	1.5
241.07617	13.6
246.08307	1.0
265.07654	10.9
268.54327	0.6
279.09164	8.3
291.08899	0.6
308.21829	0.6
377.40970	0.7
387.13361	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	386.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.6
55.05490	31.5
56.96566	3.2
57.03425	41.0
63.38404	3.6
64.49540	3.6
67.05487	76.4
69.07050	24.0
77.01498	3.7
79.05470	93.9
81.07032	93.8
83.04980	4.7
83.08599	17.3
85.06541	8.0
87.69001	3.7
91.05453	77.3
93.07021	100.0
95.04940	6.4
95.08571	67.2
97.10131	5.8
105.07006	63.6
107.08558	58.0
109.06494	7.9
109.10143	24.8
117.06993	22.7
119.08542	53.5
121.06480	4.6
121.10141	38.2
129.06972	8.5
131.08524	27.1
133.10089	40.2
135.11655	25.3
137.06871	4.8
145.10133	19.2
147.11633	30.3
149.09637	6.5
149.13261	10.6
157.10059	5.4
159.11661	23.3
161.13199	10.2
171.11603	7.4
173.13264	4.8
175.14738	6.3
177.12703	4.9
181.03117	4.5
187.14783	8.7
201.16318	5.0
205.15987	4.4
241.19383	7.7
248.50885	4.2
259.20483	23.8
277.21545	7.7
351.25208	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	387.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29901	0.6
52.61742	0.6
54.81516	0.8
58.99839	0.9
69.79251	0.7
73.19450	0.7
92.34608	0.8
98.97576	1.1
101.00854	15.8
109.80848	0.7
115.02435	1.2
119.01876	56.9
127.02379	0.9
131.01904	1.0
133.03421	6.8
137.02924	7.8
139.02377	3.5
143.01823	7.9
145.03423	22.0
152.06941	1.1
157.03410	46.4
161.02919	12.1
163.04443	4.8
174.10336	0.8
175.04453	25.9
181.05539	4.8
182.54904	0.7
187.04431	0.9
188.62378	0.8
189.06181	0.9
205.06834	100.0
223.06551	46.8
241.07597	20.5
265.07654	12.9
267.07532	1.1
279.09109	12.2
358.59753	0.8
387.13339	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	386.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25061	1.0
53.03931	4.9
55.01855	1.7
55.05496	20.5
57.03417	9.5
57.07051	1.4
64.85405	1.1
65.03912	1.9
67.05480	67.4
69.03410	1.3
69.07040	15.4
71.04965	11.1
77.03899	1.2
79.05459	89.2
81.07025	66.9
81.13326	1.0
83.04948	4.3
83.08589	8.4
85.06516	1.7
91.05444	57.9
91.20340	1.1
93.07006	100.0
95.04930	8.3
95.07956	1.4
95.08569	38.9
97.06511	5.9
97.10167	1.2
100.24370	1.1
101.52507	1.1
105.04454	1.4
105.07005	38.9
107.08567	44.4
109.06479	2.3
109.10104	13.9
111.08003	1.6
117.06970	10.9
119.08540	27.7
121.10096	43.3
123.11659	2.0
129.06992	5.6
131.08530	18.0
133.10083	19.8
135.08054	1.5
135.11636	27.9
138.59668	1.0
143.08536	6.0
145.10060	14.1
147.11635	9.4
149.13254	9.9
157.10112	1.9
159.11613	8.7
161.13242	4.6
171.11592	1.9
173.13123	2.3
175.14761	1.9
185.13141	1.3
221.04857	1.6
241.19420	2.5
241.65112	1.2
259.20486	9.3
277.21487	5.8
351.25171	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	386.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12935	0.8
55.01862	0.7
57.03422	39.2
59.04993	0.8
61.02901	16.4
69.03407	31.2
71.01312	3.9
71.04948	1.0
72.85889	0.8
73.02892	68.6
81.03381	6.5
85.02879	100.0
87.04433	1.8
91.03931	4.6
97.02857	47.1
99.04426	4.3
101.02415	0.8
109.02849	7.1
115.03893	21.5
127.03870	23.1
128.64326	0.9
133.04930	5.4
145.04913	31.9
150.39055	0.9
163.05988	17.7
167.07025	0.9
223.06003	1.4
237.13235	4.9
241.07050	1.8
259.08008	1.5
295.10178	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.1
55.01844	4.0
55.05477	0.7
57.03423	7.0
57.07050	0.9
61.02655	0.7
61.02906	12.3
64.62959	0.6
67.05465	1.6
69.03043	0.9
69.03407	24.0
71.04958	3.5
73.02875	4.7
79.05462	32.7
81.03387	9.6
81.07021	1.4
83.17263	0.7
85.02876	100.0
85.06514	29.3
87.04427	2.8
91.03895	5.7
91.05444	1.3
92.09351	1.4
93.07001	3.1
95.04922	4.2
95.08572	1.0
97.02279	1.4
97.02859	25.3
99.04415	4.9
103.05422	0.8
105.03358	33.6
109.02838	7.1
109.06524	1.3
109.31240	0.7
115.03876	0.9
119.08489	0.9
121.02804	3.5
121.06468	1.0
123.04384	84.5
126.10577	0.8
127.03857	18.5
129.41197	0.8
131.04868	6.3
137.05937	7.7
145.04918	27.1
146.03566	0.7
163.05943	7.2
178.08571	1.0
181.04803	1.0
187.69585	0.7
189.09021	1.8
192.16380	0.8
214.69284	0.9
223.16946	0.8
229.10661	0.9
236.37210	0.9
292.32098	0.7
304.06897	1.0
379.14813	0.7
386.20346	1.4
387.14398	1.0
407.42114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23953	0.3
54.80620	0.5
60.41163	0.4
62.34716	0.4
69.03394	0.5
73.06532	1.9
79.75130	0.4
81.07035	0.4
83.04955	0.5
85.02880	1.0
85.25767	0.4
89.03888	7.6
91.05447	0.9
92.09287	0.5
95.04955	0.5
103.05459	0.6
106.04144	0.4
107.04913	0.8
111.04402	0.6
114.05527	0.5
117.03342	31.3
119.08571	0.4
123.08057	0.4
134.03578	2.3
135.04378	2.3
140.00653	0.5
145.02808	85.5
146.03177	0.6
147.04413	0.6
149.05937	12.1
162.03026	0.6
163.03859	1.6
177.05412	100.0
182.15289	0.4
372.82086	0.5
407.81714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3092
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
52.39598	4.7
55.05484	24.2
57.34877	5.2
59.76849	4.3
67.05487	48.7
69.03405	25.1
69.07033	33.4
79.05446	35.3
81.07024	75.4
83.08609	8.1
91.05444	48.4
93.06996	94.1
95.04893	34.9
95.08572	76.5
97.06469	6.4
105.06998	64.6
107.08561	98.1
107.54577	5.3
109.06523	6.4
109.10123	51.6
117.06970	10.9
119.08537	100.0
121.10102	80.4
123.11600	22.9
131.08517	31.7
133.10100	60.5
135.08047	40.8
135.11665	60.7
137.13217	8.5
145.10081	35.0
147.04362	6.3
147.11649	32.0
149.09558	13.0
149.13181	27.8
159.11613	42.3
161.13210	38.1
163.14789	11.7
171.11664	8.5
173.13181	10.6
175.14650	7.0
177.12666	9.8
177.16284	5.9
179.14186	8.8
181.12080	6.5
187.14729	12.2
189.16327	24.0
191.17863	29.8
201.16286	11.7
207.17337	8.0
217.19479	7.9
327.02942	6.2
367.29718	35.6
385.30890	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	385.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.6
55.01859	10.9
55.05238	2.0
55.05494	30.9
57.03407	6.4
57.07058	15.3
59.04978	1.7
61.02894	5.8
65.03904	1.7
67.05150	2.4
67.05481	39.6
68.99772	10.9
69.03405	59.4
69.07040	23.6
71.01331	2.6
71.04961	2.5
71.08604	2.4
73.02876	2.6
77.76872	1.3
79.05460	26.9
81.03393	21.1
81.07026	91.2
83.04965	11.5
83.08601	14.7
85.02876	33.8
85.06516	15.1
87.00803	26.4
87.08705	1.4
91.05438	24.3
92.08661	2.8
93.07005	41.2
95.04917	13.9
95.08569	100.0
97.02861	18.3
97.06492	33.4
97.07061	2.0
97.10119	3.4
99.04411	1.9
103.03900	2.4
105.01819	2.5
105.06989	37.8
107.04886	5.7
107.08561	56.3
109.02848	7.3
109.06480	14.8
109.10109	24.8
111.04405	6.5
111.08028	5.9
113.02348	1.4
113.05947	1.7
115.03913	2.0
117.01823	2.5
117.06979	7.6
119.08543	36.4
121.06472	8.2
121.10103	25.8
123.04396	5.4
123.08030	12.7
123.11649	6.4
125.05927	2.1
125.09570	2.1
127.03838	2.4
129.01794	2.8
129.06969	7.2
130.07779	2.2
131.08516	12.8
133.06461	3.4
133.10080	19.7
135.07996	8.3
135.11639	14.5
137.05936	3.2
137.09575	7.0
137.13220	19.2
139.07518	3.3
142.07762	6.8
143.08542	10.3
145.06462	1.7
145.10072	11.6
147.07967	10.8
147.11662	14.0
149.09610	3.4
149.13214	11.7
151.11125	2.3
153.05405	5.3
156.09311	2.6
157.10091	12.6
158.10875	1.6
159.02847	2.2
159.08017	2.0
159.11594	13.8
161.09563	8.2
161.13225	7.8
163.11139	2.7
165.09042	3.4
165.12645	13.2
167.14253	7.8
169.82205	1.4
171.07944	2.0
171.11635	6.6
173.13222	6.3
175.07411	2.0
175.11058	3.0
175.14619	1.5
177.12688	12.4
179.14259	8.0
183.11684	1.8
185.09610	1.8
185.13187	2.3
187.11136	8.9
189.09085	1.5
189.12674	2.5
191.14201	3.3
193.08586	2.8
195.13693	1.6
199.14798	2.1
201.03865	1.9
203.14200	3.0
205.12102	4.9
206.98065	1.5
207.13744	1.9
209.15149	1.6
215.14276	2.4
217.15840	1.8
221.15324	3.3
223.13219	5.8
227.14206	7.3
245.15222	15.9
250.42036	1.5
263.16318	14.3
281.17432	1.9
326.96707	1.6
336.87280	1.5
349.16400	15.7
367.17349	11.5
385.18323	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	385.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.5
55.05466	3.1
56.96536	3.0
57.03411	2.0
59.04960	1.4
65.03909	2.1
69.07051	1.6
71.04958	2.9
73.32690	1.1
77.88990	1.2
79.05435	7.2
81.07004	9.4
84.95986	1.8
85.02891	1.6
85.06532	1.5
91.05426	8.4
92.05804	1.5
93.06996	12.7
94.58638	1.3
95.04918	2.4
95.08558	2.6
97.06496	1.8
98.97552	12.6
105.06991	12.0
106.07319	3.4
107.04903	1.7
107.08552	6.7
108.21659	1.6
109.06474	1.3
109.10153	2.6
110.03602	3.3
111.04360	3.0
115.68032	1.4
116.98569	8.4
119.08473	3.1
121.10086	6.4
123.04328	1.4
125.05944	3.4
129.06915	2.1
131.04852	2.1
131.08533	1.9
133.10097	6.6
134.10405	2.8
134.99594	3.4
135.11636	2.0
137.05905	6.7
145.06369	1.6
145.10049	3.2
147.04407	2.1
147.11620	2.8
153.01762	9.7
155.04904	1.5
157.06419	1.6
158.99603	3.4
161.05907	2.4
165.06932	7.4
166.07698	2.2
171.02785	2.5
173.05948	2.2
177.00621	6.2
178.07715	6.4
179.08479	6.1
181.04901	1.8
181.06448	6.6
182.94637	1.6
183.08032	1.7
185.05878	2.0
189.09097	1.9
190.07736	6.4
191.06689	1.6
191.08499	5.8
193.06380	2.5
193.10245	1.7
194.07159	5.7
195.08055	6.8
197.01025	1.6
197.09453	1.7
202.07724	2.2
203.08498	1.9
205.06361	2.6
205.37462	1.4
206.07101	2.9
207.07959	8.6
208.08746	2.0
209.09560	2.3
210.06670	2.6
211.07474	6.2
218.07150	3.3
219.07994	8.1
221.05907	6.1
222.06660	3.4
223.07504	7.1
225.08960	6.2
233.05814	1.5
233.09471	1.6
234.06624	1.6
235.07414	13.2
236.08269	8.4
237.05382	2.2
237.09067	5.8
238.06044	1.7
239.07054	5.4
239.10529	2.4
240.07831	2.6
246.06523	2.0
247.07416	7.4
248.08368	2.4
249.05371	2.0
249.09035	2.8
250.06100	2.8
251.06886	9.2
251.10544	2.0
252.07719	3.5
253.08461	7.2
254.22964	1.5
255.21021	1.6
261.09055	3.4
263.06952	6.5
264.07611	6.6
265.08502	10.9
267.06387	2.3
267.10086	6.4
276.07733	2.2
277.08475	5.4
278.09186	2.0
279.09964	6.8
280.06915	1.5
281.07922	6.3
282.08850	1.9
293.07953	6.9
294.08701	2.0
295.09506	5.5
307.09552	25.9
313.10764	1.8
323.08771	3.3
325.10522	5.7
355.12762	2.5
385.12653	100.0
385.20575	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.5
54.80695	1.6
55.01855	9.9
55.05493	3.3
57.03421	3.0
59.04980	1.5
61.02900	10.1
65.03916	1.5
67.05486	3.0
68.99772	1.9
69.03414	3.0
71.01321	1.3
71.04954	3.1
73.02921	2.2
76.54945	1.5
79.05453	2.7
80.34950	1.5
81.07028	10.5
83.04961	8.7
85.02880	9.3
87.00806	3.2
88.94767	1.4
89.03857	2.3
90.17345	1.7
91.05433	6.8
95.04953	6.7
97.02840	3.4
101.02339	2.1
103.05419	15.1
105.06998	7.0
107.04946	6.4
111.04337	2.2
115.05433	7.3
117.03343	2.6
117.07003	2.7
118.04125	9.3
119.03353	13.2
119.04929	3.6
121.10036	1.7
123.04340	2.7
123.11662	2.7
127.03883	1.8
128.06160	3.7
129.03328	2.2
129.06964	6.5
130.04118	2.8
131.04887	53.4
131.08565	2.9
132.05589	2.1
133.06444	7.4
135.04387	6.5
139.03839	3.9
139.05333	1.9
141.06961	19.9
143.03372	3.7
143.04869	6.1
144.05659	7.3
145.02805	2.8
145.06456	9.7
146.03587	10.5
147.04370	9.3
148.05133	1.9
149.05922	3.0
155.04901	3.3
157.02823	7.9
157.06447	15.5
158.07201	2.0
159.04353	9.9
159.08057	5.7
160.05116	2.3
161.05928	28.3
163.03842	21.9
165.05533	2.2
167.07021	8.8
167.39093	1.8
168.05588	5.9
169.06421	23.2
169.12141	3.8
170.12550	2.5
171.04381	10.1
172.05130	3.8
173.05951	9.3
174.03110	2.2
175.03860	9.6
175.07524	2.1
176.04617	10.5
177.05418	7.0
178.06134	2.3
180.07764	7.9
181.04907	3.0
183.07898	2.7
185.05930	8.5
186.06702	12.7
187.03854	25.2
187.07526	9.9
188.04625	3.6
189.01755	3.9
189.05438	18.4
190.06126	3.9
191.06970	50.5
192.07831	1.9
193.04939	2.2
193.08563	3.8
196.05128	2.9
197.05968	19.9
199.03807	11.0
200.04620	9.2
201.05453	6.3
201.09035	7.0
203.03387	3.8
203.06953	8.6
204.04146	29.9
204.07635	2.2
204.17998	2.1
205.04965	3.0
205.08522	2.8
206.05618	2.9
206.53445	1.7
207.06442	3.4
209.08160	1.9
213.05420	7.9
214.06174	10.5
215.03584	2.3
215.06978	24.9
216.04102	3.4
217.04941	15.4
217.08311	1.9
218.05620	8.9
219.06467	21.6
221.07999	2.6
223.02333	2.2
225.05342	2.8
228.04115	2.1
229.04984	3.6
229.08516	14.8
231.06413	11.5
232.07076	3.1
233.08032	6.6
234.05138	2.2
235.06050	2.5
242.05678	7.5
243.06477	14.3
244.03734	2.0
245.04388	20.5
245.07936	8.1
247.09552	11.8
257.07962	18.1
260.06680	53.2
261.07382	1.9
262.04706	3.3
263.05435	2.2
273.07330	6.1
275.09036	100.0
277.06949	16.3
287.02362	2.0
287.05481	10.8
291.08582	2.2
301.07047	9.7
319.08020	15.5
320.08133	1.8
337.09045	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	384.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17321	0.8
51.69505	0.6
53.03924	1.5
54.46094	0.6
55.01849	0.8
55.05494	3.1
57.03427	0.9
57.07051	1.2
59.04984	1.4
61.02899	3.4
67.05474	5.0
69.03398	6.6
69.07047	17.5
71.04571	1.1
71.04962	31.8
73.02879	0.9
79.05461	12.3
80.57932	0.8
81.03397	3.6
81.07026	100.0
83.04933	5.1
83.08587	1.1
85.02878	25.2
85.06487	0.8
87.08078	0.9
92.63098	0.8
93.07005	3.6
95.04927	1.6
95.08566	4.8
97.02870	5.9
97.06519	5.9
97.10110	1.2
99.04404	1.2
99.08028	7.4
101.05967	0.7
105.07031	1.4
107.08549	12.7
109.02856	1.4
109.06486	3.4
109.10123	22.0
111.08052	4.5
111.11703	8.3
121.10098	4.2
123.08057	1.2
123.11661	32.5
125.09575	0.8
127.03894	1.7
127.07500	1.0
127.11162	1.1
133.10095	3.2
139.11131	19.6
139.12103	1.2
145.04893	1.7
151.11137	24.5
151.96933	0.8
157.12198	16.0
169.12173	37.1
187.13231	91.0
203.14285	0.7
205.14296	4.9
254.10269	0.8
349.18555	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	384.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.27664	0.6
54.17031	0.7
55.01849	0.7
55.05492	3.4
57.03412	3.7
57.07066	1.5
58.72149	0.7
59.04985	2.8
61.02902	3.0
66.92767	0.6
67.05470	4.3
69.03403	8.0
69.07040	15.0
71.04961	34.0
75.72763	0.7
79.05454	9.1
81.03371	3.4
81.07022	100.0
83.04948	5.4
83.08538	0.7
85.02876	23.2
85.06509	0.9
87.08035	0.8
92.09329	0.8
93.06999	4.0
95.04922	1.6
95.08558	3.9
97.02859	7.3
97.06505	6.7
97.10152	1.6
99.04423	1.7
99.08026	7.1
105.06954	1.2
107.08561	16.8
109.02859	2.9
109.06491	4.3
109.10131	21.6
111.08062	4.4
111.11679	8.1
121.10090	1.8
123.07978	1.0
123.11660	32.6
125.09617	1.1
127.03864	4.7
127.07487	1.0
127.11137	1.6
133.10069	4.8
136.61267	0.7
139.11111	13.6
141.12730	1.0
144.09476	0.9
145.04883	1.5
151.09970	1.5
151.11133	35.2
151.12367	1.2
157.12180	15.6
169.12175	33.3
187.13225	98.1
205.14249	11.1
245.24106	0.7
349.18390	4.7
353.90414	0.8
361.87833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
55.01867	2.0
55.05499	1.8
57.03408	3.2
57.07067	1.8
61.02896	8.1
67.05476	3.3
69.03404	30.5
69.07041	3.1
71.04959	6.5
73.02893	1.8
73.06522	2.0
76.79241	1.7
79.05462	2.0
81.03400	13.6
81.07028	34.5
83.04950	2.0
85.02878	80.3
85.06512	15.0
87.04439	33.7
87.93803	1.7
91.03952	1.8
93.06998	8.5
97.02853	19.1
98.64412	1.6
99.04437	8.0
99.08070	7.4
101.05925	2.1
109.02843	11.8
109.06486	39.3
109.10104	14.0
113.05960	3.3
115.03891	100.0
118.84724	1.8
127.03863	32.7
127.07513	34.5
133.04921	16.9
133.10013	2.7
137.05931	24.2
141.09084	20.0
145.04921	19.7
151.11108	3.1
155.06998	13.2
161.24467	2.2
163.06012	4.0
165.21060	1.9
169.08549	8.6
169.12189	2.8
173.08043	26.3
187.09674	12.7
187.13222	3.8
205.10678	11.4
216.53101	1.8
259.08051	8.7
277.09003	22.5
331.13647	3.6
375.01688	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11769	4.8
53.00321	4.3
55.05485	25.5
56.96547	11.9
57.07039	10.9
65.03936	6.1
67.05489	40.9
69.03384	10.7
69.07028	21.7
79.05444	46.4
81.07016	38.2
83.04948	8.5
86.09666	13.0
91.05453	50.5
93.06996	100.0
95.04949	42.4
95.08568	58.1
97.06505	8.6
99.09123	6.4
105.06994	98.7
107.08549	45.7
109.06498	27.8
109.10115	26.9
111.07974	6.0
111.70735	5.5
116.29381	5.8
117.06953	25.0
119.08549	65.1
121.06444	10.8
121.10075	65.2
123.08064	30.7
124.99970	5.8
126.37006	6.3
128.06122	13.7
129.06966	24.2
130.07774	7.8
131.08507	35.7
133.06438	8.5
133.10078	34.8
133.21390	5.7
135.08017	25.3
137.09579	5.6
141.06940	5.6
142.07758	14.1
143.08498	42.1
145.10075	51.5
146.93520	5.7
147.08008	21.5
147.11592	10.9
149.09586	12.6
151.07465	33.4
156.09273	8.4
157.10062	47.9
159.08105	6.5
159.11604	21.2
161.09523	6.3
163.01572	7.1
165.09027	31.0
170.10866	9.1
171.11684	7.4
173.09538	8.1
173.13203	8.5
175.11179	5.6
183.11652	10.3
185.13182	7.7
190.96228	6.6
194.10912	5.7
195.11459	7.7
201.12671	11.8
203.14491	7.7
207.11694	7.4
209.13123	7.2
221.15251	30.7
234.16304	6.5
237.97969	6.0
242.74356	6.4
244.20935	6.6
283.08450	8.5
301.09357	11.4
383.20209	62.5
383.25607	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2571
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03930	3.8
55.01854	2.5
55.05498	23.9
57.07043	10.7
59.04965	4.0
65.89297	1.8
67.05481	39.5
69.03406	17.6
69.07033	11.9
69.82509	2.1
71.04949	2.7
75.99654	1.7
77.03826	2.3
78.29414	1.9
78.46223	2.2
79.05463	43.3
81.07023	35.0
82.89752	2.0
83.04944	11.9
85.06525	7.8
91.05446	61.3
93.07007	100.0
95.04929	31.2
95.08562	48.7
97.06510	16.3
97.07040	2.5
103.05458	3.8
104.66952	2.0
105.06996	93.7
107.04925	2.2
107.08559	44.4
108.05616	2.3
109.06503	23.0
109.10117	22.6
111.08047	3.3
115.05405	3.1
117.06991	14.6
119.08543	69.2
120.09339	2.4
121.06447	13.6
121.10108	48.6
123.08035	27.8
128.06154	12.0
129.06966	23.0
130.07755	10.4
131.08534	39.9
133.06459	9.0
133.10071	36.0
135.07988	26.2
135.11632	8.6
137.09564	11.5
141.06932	4.2
142.07753	22.0
142.08685	2.3
143.08508	26.9
144.09282	5.1
145.06413	4.9
145.10068	43.3
146.07208	2.4
147.08047	20.0
147.11632	13.9
148.08780	2.7
149.09578	25.0
151.07483	28.2
155.08571	8.2
156.09293	13.7
157.10059	38.8
159.07986	5.3
159.11623	22.2
160.08789	3.5
161.09544	17.9
161.13213	8.2
163.11110	4.2
165.09056	23.3
167.08464	3.4
169.10071	10.4
170.10857	3.4
171.11647	12.5
172.08691	3.0
173.09572	9.1
173.13171	11.5
175.11104	12.5
175.14752	5.1
177.09029	8.5
179.08453	3.5
181.10098	3.9
183.11662	10.4
185.09557	3.0
185.13203	12.3
189.12605	10.6
193.10135	3.6
194.10831	2.8
195.11603	10.4
196.12358	2.8
197.09592	2.6
197.13220	4.3
199.11000	2.1
201.12689	3.7
203.14288	14.9
207.11777	5.7
207.13783	8.4
209.13268	4.8
211.14723	4.6
213.12621	3.2
219.13683	3.2
221.13281	4.0
221.15289	41.8
227.14220	8.8
234.13818	2.4
234.16103	9.5
251.11272	3.0
287.20120	4.1
303.19366	3.9
347.23254	4.0
365.24576	12.6
382.26285	2.2
383.25659	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	383.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14556	5.5
50.51412	5.2
53.35592	6.6
55.05485	27.7
62.17427	6.6
67.05473	45.0
67.18456	5.7
69.03383	8.0
69.07035	14.5
69.75156	5.8
79.05453	36.3
81.07014	47.4
85.06487	8.0
91.05447	54.3
93.07010	91.0
95.04894	31.2
95.08573	47.8
101.14576	7.3
104.71861	6.8
105.06984	100.0
107.08550	36.9
109.06483	10.7
109.10123	15.6
117.06982	25.3
119.08575	60.6
119.09269	8.4
121.10097	43.7
123.08022	16.1
129.06941	11.9
131.08514	32.7
133.10065	31.2
135.07971	15.6
137.09549	10.5
142.07721	28.0
143.08543	35.7
144.09277	8.3
145.10072	36.4
147.07991	11.6
147.11644	9.5
151.07503	14.5
157.10046	32.5
161.09648	13.1
161.64601	7.6
165.09001	31.9
171.11617	13.6
175.11166	11.1
177.08911	8.8
203.14204	13.9
221.15289	48.1
221.31288	7.5
227.13985	7.7
245.58292	7.9
251.11218	9.6
269.12424	14.2
383.25629	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	383.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66219	2.1
53.00295	3.1
53.03923	3.8
55.01844	12.6
55.05491	30.7
57.03412	14.6
57.07043	3.3
61.02895	6.5
65.03912	2.7
66.95995	2.6
67.05490	33.6
68.50673	2.6
69.03403	36.8
69.07047	26.5
71.01311	5.4
71.04967	38.1
73.02872	7.0
79.05464	34.4
81.03384	17.4
81.07024	100.0
83.04945	11.1
83.08579	12.8
83.12707	2.5
84.32134	2.5
85.02866	36.8
85.06496	4.1
87.04399	2.9
91.05437	42.4
92.08694	4.6
93.07014	68.3
93.46619	2.8
95.04935	20.7
95.08568	56.3
97.02845	15.8
97.06483	6.3
99.04394	3.0
99.08078	3.6
100.11201	13.4
103.03915	3.7
105.06999	63.8
107.04905	6.8
107.08558	69.1
109.02855	3.2
109.06498	14.1
109.10112	46.2
111.04413	12.1
117.06973	15.0
119.08537	58.5
121.06453	6.7
121.10092	37.5
123.08051	6.5
123.11662	14.3
125.09547	7.0
127.03859	4.3
127.11135	18.0
129.06963	11.2
130.07787	4.6
131.08504	25.6
133.10068	42.6
135.07982	11.3
135.11644	34.4
137.09579	4.0
139.07416	3.9
141.06863	4.6
142.07751	4.7
143.08498	20.7
145.06467	6.6
145.10089	37.4
147.07974	5.8
147.11655	30.4
151.11150	3.2
153.12692	21.3
155.08551	6.7
157.10112	19.9
159.11613	29.1
161.09532	5.7
161.13216	13.2
161.16023	2.8
163.11163	4.6
169.10098	4.6
170.77838	2.7
171.11592	10.3
173.09541	4.5
173.13196	5.3
175.11171	3.9
175.14793	6.1
177.12669	6.2
177.16328	3.7
185.13206	5.0
187.14738	6.1
189.12700	4.1
193.10246	3.3
197.13322	3.4
201.12608	3.3
201.16223	5.9
203.17897	13.6
210.14897	3.2
221.19054	4.2
245.18967	3.8
286.12283	3.0
311.19638	3.3
315.06863	3.1
365.23154	4.2
383.24023	14.1
407.35773	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	3.8
53.03933	5.2
55.01849	11.2
55.05492	32.6
57.03419	19.4
57.07048	4.3
58.50077	2.1
60.16788	2.2
61.02900	14.5
67.05479	36.3
69.03411	41.6
69.07041	33.8
69.57404	2.0
71.01334	2.4
71.04965	44.8
73.02877	12.7
79.05460	40.9
81.03386	20.1
81.07023	90.0
83.04951	12.3
83.08569	11.5
85.02876	49.7
85.06505	3.0
87.04414	3.5
91.05441	40.6
92.09333	2.7
93.07005	89.1
95.04922	17.3
95.08566	76.7
97.02845	20.0
97.06502	10.8
97.10106	3.6
99.04385	4.5
99.08073	3.1
102.43052	2.5
103.03876	5.3
105.07001	88.0
107.04911	4.5
107.07881	4.7
107.08558	90.8
109.02840	6.3
109.06483	15.6
109.10115	56.2
111.04407	10.0
111.08076	4.5
111.11678	2.9
115.03862	3.7
117.06927	19.2
119.08533	100.0
121.06448	11.0
121.10099	56.3
123.04382	3.5
123.08009	15.3
123.11658	25.4
125.09579	15.1
127.11126	16.9
128.06116	3.3
129.05421	3.5
129.06987	12.8
131.08519	36.4
133.06447	3.7
133.10074	57.0
135.07979	9.8
135.11636	39.8
137.09599	9.7
137.13173	3.7
139.07597	2.5
141.06955	4.9
142.07729	13.0
143.08527	24.1
144.09305	5.6
145.06424	6.1
145.10081	52.9
147.08055	4.8
147.11635	52.3
149.13237	13.9
151.11150	8.8
153.12659	4.5
155.08531	5.3
156.09296	6.3
157.10072	29.1
159.07953	5.2
159.11642	61.7
161.09546	5.6
161.13219	23.7
163.11096	5.4
165.09157	2.5
169.10088	14.2
171.08003	4.7
171.11664	24.7
173.09540	4.1
173.13153	13.6
175.11096	5.5
175.14769	4.4
177.12701	3.9
181.10042	3.5
183.11667	11.5
185.13223	6.2
187.11139	2.9
187.14732	4.7
189.12682	5.3
189.16229	4.8
193.15843	3.2
197.13229	3.4
201.12633	4.1
201.16341	6.3
203.17891	20.9
213.12718	9.4
213.16295	3.2
215.17900	6.1
219.17442	4.2
221.18956	11.0
225.12769	4.0
227.17862	4.1
233.18954	9.7
245.18918	10.0
261.14825	3.7
263.20032	3.2
275.19986	3.2
299.19885	3.2
311.19922	5.0
329.20950	11.0
340.81235	2.6
347.22015	15.2
365.23236	6.0
383.24158	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70048	1.9
53.00290	3.0
53.03929	9.0
54.81495	2.0
55.01860	18.4
55.02087	2.7
55.05495	32.7
57.03419	21.1
57.07047	5.7
59.04973	3.5
61.02906	17.6
67.05486	37.6
69.03407	60.5
69.07051	33.5
71.01334	4.4
71.04966	55.6
72.00298	2.1
73.02885	13.8
73.06537	2.3
79.05467	42.0
81.03394	34.3
81.07030	94.6
83.04955	14.4
83.08583	10.4
84.12952	2.0
85.02873	71.8
85.06489	3.6
87.04436	4.2
89.73108	2.3
91.05444	46.7
93.07006	87.1
95.04936	33.4
95.08571	70.4
97.02856	30.4
97.06486	19.3
97.10115	3.7
99.04425	9.8
99.08027	2.8
103.03902	8.7
105.06997	100.0
107.04932	5.1
107.08554	91.4
109.02850	10.5
109.06504	16.5
109.10130	54.3
111.04398	11.0
111.08080	4.8
115.03879	4.0
115.05383	3.4
117.06944	21.0
119.04907	2.3
119.08543	90.1
121.06454	11.6
121.10098	51.8
123.04369	8.4
123.08052	13.5
123.11665	18.6
125.09598	19.4
127.03896	4.6
127.11139	21.5
128.06190	8.9
129.06985	15.3
131.08511	40.4
133.06439	2.9
133.10092	62.7
135.08041	11.3
135.11650	46.8
137.06010	3.0
137.09618	10.4
137.13232	4.0
139.07469	3.1
139.11122	3.2
141.05441	2.9
141.06956	2.8
142.07773	4.8
143.08504	27.5
144.09309	3.6
145.06425	3.1
145.10091	44.8
146.07185	3.0
147.08037	4.9
147.11641	53.0
149.13222	11.2
150.96242	2.3
151.11156	5.0
153.12704	5.4
155.08493	15.2
156.09331	9.8
157.10088	30.0
159.08035	9.2
159.11649	61.0
161.09596	9.8
161.13213	17.2
163.11189	2.3
163.14864	3.9
165.12657	2.7
169.10075	11.1
171.07999	3.1
171.11586	21.6
173.09605	4.4
173.13258	12.8
175.11127	3.7
175.14706	8.1
177.12819	3.5
179.08498	3.0
179.10620	2.7
181.10002	2.6
183.11653	13.2
185.09576	3.2
185.13219	14.2
187.11169	4.6
187.14774	10.4
189.09042	3.5
189.12787	4.1
189.16315	17.5
193.15875	9.0
195.11658	4.8
197.13182	8.8
199.14763	3.3
201.12715	9.5
201.16278	5.7
203.17896	11.6
209.13261	5.3
213.12703	9.3
213.16273	4.8
217.10573	5.6
219.17355	3.7
221.18976	4.3
223.14848	3.1
225.12689	4.7
227.17934	5.1
243.13774	2.8
245.18993	15.1
257.18933	3.3
261.14874	3.6
269.18784	2.7
287.20084	4.1
305.21167	3.4
311.20013	9.0
327.99158	2.7
329.21167	10.7
347.22110	12.2
365.23062	15.1
383.24142	22.3
404.13376	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47655	2.0
53.00282	2.0
53.03926	4.8
55.01844	16.6
55.05490	33.0
57.03415	17.7
57.07050	11.1
59.26644	2.1
61.02890	12.4
67.05482	37.1
67.84628	2.5
69.03403	60.7
69.07047	31.6
71.01332	10.9
71.04955	32.7
73.02875	10.5
79.05450	47.0
81.03391	21.1
81.07025	99.7
83.04941	14.4
83.08587	6.1
85.02875	52.9
87.04417	5.6
91.05435	42.4
93.07011	87.5
95.04933	25.6
95.08562	86.7
97.02847	21.5
97.06495	11.5
97.10130	2.9
99.04410	4.0
103.03889	5.7
105.06992	100.0
107.04920	4.7
107.08560	86.3
109.06489	22.7
109.07132	2.7
109.10117	49.0
111.04409	5.8
111.08076	4.2
115.03900	3.6
117.06976	16.4
119.08537	86.8
120.58712	2.7
121.06468	11.3
121.10098	64.0
123.04365	4.8
123.08025	15.8
123.11665	22.3
125.05927	4.0
125.09595	13.2
127.03839	3.5
127.11128	15.6
128.06166	5.8
129.06963	12.3
130.07744	5.0
131.08545	40.1
133.06424	3.4
133.10080	56.1
135.08031	6.6
135.11650	43.4
137.06000	3.5
137.09549	5.2
137.13112	3.8
139.11017	3.2
141.06909	3.1
142.07678	6.6
143.08551	19.3
145.06439	4.5
145.10083	48.2
147.08026	6.3
147.11647	45.7
149.09529	3.1
149.13202	12.0
151.11148	4.9
153.12662	4.7
155.08495	11.2
157.10014	29.6
159.07961	4.4
159.11615	50.9
161.09605	5.0
161.13222	18.3
165.08978	4.8
169.10005	9.6
171.11607	22.4
173.09566	4.0
173.13181	21.5
175.11166	3.8
175.14766	3.4
181.10089	5.3
183.11636	12.5
185.13193	12.3
187.11124	3.8
187.14729	5.8
189.12730	4.5
189.16325	5.8
195.11697	5.4
197.13229	4.8
199.14828	5.5
201.12700	6.6
201.16325	3.2
203.17934	21.5
210.10223	2.8
215.17902	5.0
219.17424	3.0
221.18874	5.0
225.12778	3.5
233.18938	3.9
245.18759	8.4
249.52541	3.0
257.18805	2.8
261.14807	4.6
311.20020	6.5
329.20966	13.2
347.22156	10.6
359.70950	3.1
365.22925	12.7
383.24203	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	383.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30380	1.0
53.00290	2.0
53.03916	1.3
55.01850	2.0
55.05491	14.5
56.96542	1.4
57.03411	4.7
57.07072	1.3
59.04988	1.3
59.54730	1.1
67.05486	10.3
69.03400	5.5
69.07043	6.0
71.04966	27.4
73.02885	2.1
74.64693	1.0
79.05459	25.3
81.03377	2.1
81.07026	39.8
83.04954	9.0
83.08588	2.1
85.02884	18.2
85.06506	2.6
91.05444	30.9
93.07002	28.0
95.04932	5.9
95.08562	15.1
97.06512	6.1
97.10122	1.5
99.08041	8.8
103.05427	1.2
104.93112	1.1
105.06996	93.5
106.88337	1.2
107.04875	1.4
107.08561	24.2
109.06491	6.0
109.10145	12.9
109.81516	1.5
111.04400	1.6
115.05469	1.4
117.06958	6.6
119.08531	29.0
121.06518	1.8
121.10085	11.3
123.08043	1.7
123.11640	5.0
125.09584	17.6
127.07498	1.5
127.11191	2.3
128.06175	1.7
129.06940	1.5
130.07729	1.8
131.08542	20.1
133.10081	100.0
135.11642	2.1
137.09605	1.4
139.11147	1.2
143.08508	2.1
143.10646	15.2
145.10062	17.3
147.08034	1.2
147.11658	28.2
148.35802	1.4
155.08549	1.8
157.10088	6.4
159.11636	15.5
161.13179	4.6
163.11102	2.2
167.06975	1.3
167.53036	1.1
169.10121	1.6
171.11653	2.8
173.13203	2.4
175.11162	4.9
191.10701	1.4
201.16270	9.1
203.17886	6.6
219.17395	12.4
241.15904	1.4
329.20978	2.1
333.11292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.8
55.01844	8.5
55.05501	16.6
57.03415	4.4
61.02895	7.9
61.16677	1.7
65.03899	4.8
67.05479	19.5
68.99757	20.7
69.03407	44.6
69.07034	4.9
71.04964	23.3
79.05455	15.0
81.03385	53.0
81.07024	42.7
83.04944	11.0
83.08566	1.9
85.02874	27.3
85.06516	2.1
87.00797	13.8
91.05439	34.5
93.03357	8.0
93.07014	26.7
95.01283	3.6
95.04929	14.1
95.08561	11.4
97.02840	13.2
97.06512	2.8
98.97549	7.3
99.04395	2.9
99.08062	10.4
105.01846	2.3
105.04478	2.3
105.06984	26.5
107.04908	9.3
107.08541	24.3
109.02856	4.2
109.06487	13.5
109.10113	10.8
111.04405	12.0
116.98536	2.6
117.06974	9.5
119.04916	19.3
119.08522	21.3
121.02822	44.3
121.06451	13.2
121.10104	9.4
123.04362	4.0
123.08054	4.2
123.11679	21.0
127.03873	2.4
127.07456	13.7
128.06148	3.8
129.06964	8.2
131.08522	10.9
133.06442	4.3
133.10048	11.1
135.04312	2.4
135.07953	3.2
135.11665	3.9
137.05899	8.4
141.12709	10.3
143.08549	4.3
145.05017	2.3
145.06407	3.9
145.10097	18.6
147.04364	31.0
147.08003	10.0
147.11658	7.9
149.02284	41.5
149.09514	3.9
151.11101	4.7
155.08488	7.7
159.07935	2.9
159.11646	3.8
163.03847	12.6
163.11154	2.6
165.12654	10.1
171.07945	11.2
173.09578	10.4
173.13278	2.6
175.07520	7.6
177.01765	100.0
177.12614	8.4
181.04788	3.1
187.13208	3.2
189.03773	2.4
189.08992	2.8
189.12732	2.9
191.03267	2.2
191.10574	4.0
201.03926	2.0
201.09050	2.1
209.04391	21.0
215.14259	3.1
243.13689	4.6
245.55991	2.2
261.14734	13.2
279.15619	2.2
306.94614	2.2
347.14713	4.3
365.15625	5.0
383.16595	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01853	3.7
55.05488	6.3
58.59498	1.2
67.05478	6.8
69.03407	20.5
69.07048	2.1
71.04965	13.6
79.05450	8.3
81.03387	20.2
81.07009	13.5
85.02863	8.7
87.00780	3.8
91.05437	9.5
93.06996	12.0
95.04923	5.9
95.08587	2.0
97.02838	7.2
99.08060	3.6
100.11234	2.8
105.07018	14.3
107.04887	2.3
107.08580	15.1
109.02814	2.1
109.06492	5.7
109.10110	6.0
111.04444	2.4
117.06992	3.2
119.08539	13.2
121.06465	2.6
121.10104	6.2
123.08003	2.6
127.03900	1.8
127.07481	1.8
128.06157	2.3
129.07001	3.8
131.08530	6.1
133.10066	6.2
135.11693	3.4
137.09604	1.6
143.08487	3.2
145.06451	2.2
145.10056	7.7
147.07954	1.9
147.11635	3.0
149.09517	1.9
151.11096	2.5
155.08563	2.4
159.08061	1.5
163.11151	1.6
171.08022	2.5
173.09569	7.3
175.07535	6.1
175.11090	2.2
177.12672	2.5
189.09062	2.5
189.12637	1.7
221.11421	100.0
243.13782	1.9
261.14850	3.8
383.16669	61.0
392.20670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08463	1.8
53.00287	1.8
53.03922	8.3
55.01848	10.3
55.05494	15.2
57.03412	4.3
57.07051	3.8
58.83531	1.6
61.02888	3.2
65.03907	3.7
67.05478	21.6
68.99763	24.8
69.03405	53.4
69.07035	9.8
71.04958	28.4
73.02885	2.0
73.67525	2.0
79.05459	17.9
81.03385	53.8
81.07025	44.4
83.04957	15.0
83.08618	1.9
85.02859	27.7
87.00781	14.1
87.04438	3.6
91.05446	33.0
93.03352	3.0
93.07014	35.0
95.01279	4.2
95.04925	16.9
95.08557	15.1
97.02841	20.5
98.97513	9.0
99.04408	3.7
99.08046	14.4
105.06997	41.7
107.01283	2.4
107.04911	10.3
107.08566	29.4
109.02834	4.1
109.06483	13.2
109.10121	11.4
109.36242	1.9
111.04408	11.8
113.05921	2.2
115.03893	3.4
115.05396	2.2
116.98638	2.6
117.06969	12.1
119.04912	18.0
119.08521	26.6
121.02837	47.6
121.06434	17.9
121.10065	13.4
123.04362	3.8
123.08007	10.4
123.11652	17.8
127.03861	4.1
127.07529	11.5
128.06201	7.9
129.06982	7.8
130.07741	3.5
131.08487	11.3
133.06461	9.6
133.10092	12.7
135.04399	6.8
135.07990	9.3
135.11653	7.7
137.05934	7.9
137.13246	2.1
141.12688	4.4
142.07693	2.7
143.08507	10.9
145.06438	4.2
145.10069	21.9
147.04344	28.8
147.08003	8.5
147.11629	8.7
149.02289	40.6
149.05922	2.4
149.09589	4.2
151.07492	3.3
151.11110	7.6
155.08516	4.7
157.10034	2.7
159.07956	3.2
159.11676	3.5
161.09579	1.9
163.03850	9.9
163.07553	2.5
163.11087	4.0
165.12671	9.6
171.08000	3.6
173.09586	16.9
175.07455	6.9
175.11090	4.2
177.01768	100.0
177.12634	6.9
181.04897	3.5
187.13216	3.4
189.09053	7.7
191.10570	4.7
193.08710	2.1
193.12198	2.4
201.03856	3.7
209.04391	30.0
215.14275	3.2
219.13741	2.2
243.13715	14.9
245.81464	1.9
252.99051	2.5
261.14832	13.3
332.72955	1.8
347.14664	11.6
365.15649	8.5
383.16989	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	383.094
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
68.16543	0.9
105.25466	1.1
117.81669	1.0
151.94576	1.3
383.09363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
57.03415	2.8
58.33305	1.2
61.02911	3.3
62.71497	1.2
69.03414	12.4
71.04961	1.5
73.02888	2.8
74.02399	1.8
79.28172	1.2
81.03381	7.1
82.02898	1.7
85.02876	45.6
92.62327	1.4
94.06528	2.4
97.02869	12.6
99.04433	1.6
103.03907	2.2
109.02807	5.5
115.05417	2.1
118.06467	9.9
127.03854	2.6
130.06483	100.0
132.04407	28.9
132.08038	10.4
142.06476	2.4
143.07315	2.0
144.06876	3.5
144.08031	45.4
145.02643	1.6
145.05087	1.8
145.07570	27.8
146.05983	17.7
148.07533	8.2
154.06482	9.8
156.08020	5.8
157.07568	96.2
158.05966	79.9
158.08156	2.6
159.09125	14.1
160.07547	3.1
163.03851	6.8
167.07222	1.7
169.07573	13.9
170.05960	2.0
170.08328	2.9
171.06717	2.1
171.09105	13.9
172.07524	14.3
174.05440	10.0
175.08595	70.7
176.06911	1.7
181.07500	5.4
182.05986	1.9
182.08339	5.9
183.09143	24.0
184.07573	5.4
185.07016	17.6
186.05489	2.0
186.07816	2.9
187.08626	5.8
188.06956	2.9
197.06944	2.8
199.08609	17.6
200.06996	27.1
203.08102	96.4
204.06502	1.9
206.08315	1.8
207.09055	1.4
209.07088	12.8
215.08086	3.3
216.08934	6.9
217.09676	29.1
221.09126	35.0
227.08092	8.1
228.06436	2.1
231.07620	4.8
243.07576	1.9
245.09056	19.6
263.10165	31.6
266.08188	1.5
269.09128	1.4
299.10257	2.2
305.31439	1.3
322.93182	1.5
347.12354	3.2
348.10556	6.3
365.13373	23.4
383.14304	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92735	0.2
53.41064	0.2
56.96547	11.0
57.63378	0.3
60.54686	0.3
64.32626	0.3
68.01266	0.3
71.95226	1.1
78.91322	0.3
79.85468	0.3
98.97540	86.3
103.26701	0.3
116.98577	93.1
119.01822	0.4
134.99605	69.8
140.00159	0.6
149.01042	0.3
153.00652	15.9
154.99780	0.3
158.01266	1.1
171.91222	0.3
174.97626	0.5
177.00745	0.3
192.98576	2.0
193.98843	0.4
199.04486	1.3
214.08528	0.3
216.98636	1.8
217.98827	0.6
219.01945	0.7
232.96568	1.1
233.96707	1.3
234.99666	8.3
235.99832	3.1
240.98436	3.6
250.97627	2.0
251.97717	1.2
253.00795	0.4
256.96564	0.4
257.96756	0.4
258.99646	38.8
259.99744	0.4
260.99899	0.4
261.02744	2.1
262.03018	0.5
263.02719	0.4
274.97592	5.4
275.97748	4.2
277.00708	100.0
278.00906	2.5
279.00970	0.6
282.01138	0.6
282.99969	1.5
283.99847	0.3
284.99503	0.4
292.98477	3.2
293.98840	1.5
295.01749	1.2
298.97626	1.8
299.97849	2.3
300.02170	2.6
301.00854	3.0
302.00919	0.5
303.00641	0.6
316.98694	5.8
317.98834	7.6
318.98544	0.4
334.18677	0.4
336.00049	0.4
341.98923	1.2
358.99689	1.8
359.99915	4.7
378.01273	0.4
382.99805	1.1
401.01022	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	382.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.4
54.80746	1.3
55.01870	2.4
55.05499	14.5
56.96552	3.1
57.03418	5.3
59.04978	6.8
61.02901	6.2
67.05480	5.7
69.03400	27.2
69.07048	21.5
71.04971	18.9
73.02911	1.6
79.05460	15.6
80.90210	1.6
81.03391	8.1
81.07029	44.5
83.04949	21.4
85.02877	48.9
85.06475	1.4
87.00797	1.6
87.04447	2.0
90.50426	1.6
91.03893	1.5
91.05439	6.9
92.09353	1.6
93.07009	22.3
95.04933	14.3
95.08574	27.9
97.02840	18.1
97.06496	20.0
97.10115	2.4
99.04429	5.8
103.43745	1.3
105.01847	7.1
105.06996	6.7
107.08557	60.2
109.02871	2.7
109.06508	12.5
109.10122	37.1
111.04401	5.5
111.08073	1.9
111.11700	9.1
111.57351	1.4
113.09609	3.1
119.08585	1.5
121.06432	2.4
121.10095	48.7
123.08043	19.8
125.05973	2.6
125.09584	57.8
127.03887	14.2
127.07422	1.6
131.08521	1.5
135.04514	1.4
136.08781	12.5
137.09581	24.6
139.11134	41.9
141.09012	1.5
145.04884	2.6
149.09547	14.1
155.10622	16.1
157.12163	11.9
161.01175	2.4
167.06949	1.6
167.10619	100.0
185.11661	56.0
185.13223	2.5
187.02682	1.6
189.00700	2.1
203.12709	91.4
221.05673	1.6
249.05684	2.0
347.16714	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.8
54.85182	1.1
55.01853	11.6
55.05487	16.5
57.03418	3.0
60.04496	10.4
61.02906	5.8
61.12385	1.1
67.05486	13.0
69.03411	12.6
69.07043	18.0
71.04960	24.4
73.02908	2.5
74.27998	1.4
76.55234	1.3
77.46310	1.3
79.05466	27.5
80.21864	1.3
81.03381	7.6
81.07024	29.2
83.04931	17.0
83.08584	3.2
85.02865	33.3
85.06092	1.4
85.06511	12.5
87.04440	21.7
87.22672	1.4
89.03876	13.9
91.05447	9.0
93.07008	33.3
95.04919	10.5
95.08572	14.2
97.02841	10.7
97.06495	36.3
97.10130	2.1
97.66238	1.3
98.97552	9.0
99.04408	8.8
99.08055	9.5
99.97867	1.5
105.01796	1.4
105.06990	9.1
107.04929	5.6
107.08558	58.5
109.02848	3.2
109.06495	7.3
109.10110	10.0
111.04401	11.0
111.08051	2.6
111.11710	1.8
113.05962	83.0
115.03906	9.2
115.94760	1.5
116.98599	2.0
117.02628	1.6
117.03327	11.4
119.08572	2.1
121.06453	2.8
121.10100	59.5
123.08037	8.3
123.54173	1.3
125.05943	26.7
125.09586	67.3
127.03876	7.6
127.07499	2.3
131.08519	18.7
135.04372	24.1
136.04665	2.6
137.09569	7.0
139.11127	42.0
139.12109	2.4
141.09070	1.7
143.07050	3.1
145.02791	15.3
145.04936	6.1
149.09560	30.7
155.10605	5.3
163.03839	59.0
164.04179	10.1
167.10611	91.9
168.15025	1.6
185.11670	97.4
203.12714	100.0
234.96838	2.1
237.02791	3.4
252.97813	5.4
293.08981	2.1
382.27771	7.7
407.12070	1.9
408.12421	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	381.2415
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
53.03923	2.2
54.39843	1.8
55.05485	4.6
56.96548	3.7
57.07062	4.2
59.04966	2.4
61.02898	2.4
67.05492	9.5
69.03407	4.8
69.07056	3.9
71.04980	2.8
75.70638	2.2
79.05470	13.1
79.35928	2.5
81.03388	3.7
81.07022	15.4
85.06533	2.6
86.09692	2.3
91.05450	21.8
93.07036	14.2
95.04949	17.7
95.08562	10.5
96.54776	2.7
105.06997	22.0
107.08572	5.3
109.06503	5.9
109.10138	3.5
113.63790	2.2
117.06993	4.6
119.08515	25.0
121.06465	4.0
121.10133	4.6
123.08039	10.3
131.08551	17.8
132.90695	2.5
133.06519	2.4
133.10103	14.3
134.07245	2.6
135.08028	9.9
142.07758	4.7
143.08519	5.7
145.10052	17.4
147.07979	5.9
147.11635	3.6
149.09622	2.5
151.07512	12.2
155.08475	5.7
157.10074	9.1
159.08092	2.9
159.11705	5.1
161.09622	9.2
165.09065	3.3
171.11655	4.3
173.09563	12.5
173.13261	4.1
179.08583	2.7
183.11638	5.8
195.11697	4.2
199.11110	3.7
201.12781	4.7
209.13240	3.2
218.15318	5.0
220.12221	2.4
381.24155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1698
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
55.05493	0.9
56.96546	1.3
57.03416	0.9
57.07044	4.8
59.04977	4.1
61.02901	1.5
67.05496	5.6
69.03410	5.3
69.07037	4.5
70.02934	3.8
71.01358	0.7
71.04977	1.3
72.04485	18.2
73.02885	4.7
79.05465	0.8
81.03387	0.8
81.07030	1.6
83.04945	3.3
85.02882	8.7
85.06517	10.0
86.09683	1.1
87.04380	0.8
87.08076	1.5
88.07606	12.7
90.05522	100.0
94.12473	0.6
95.04942	7.8
96.08106	0.8
97.02859	4.4
97.06487	1.6
98.02377	14.0
99.04439	1.6
99.08032	0.7
100.03977	2.8
103.07518	5.7
107.08570	1.1
109.02814	0.8
111.04420	0.7
111.08064	0.8
113.05986	4.7
116.03426	14.3
117.03294	0.9
121.10120	1.6
124.07549	17.3
124.46618	0.6
127.03896	0.8
127.07449	0.8
135.04326	1.2
139.11186	0.9
142.08594	9.8
149.09570	1.3
156.10193	1.0
160.09679	1.5
163.03922	6.4
166.08722	0.9
167.10625	2.9
167.83118	0.6
174.11270	1.5
184.09624	18.7
185.11758	0.7
202.10689	29.6
220.11737	94.6
383.09198	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	381.0784
Annotation	Piclamilast
Peak:m/z	Relative Intensity
58.67715	1.5
69.72785	1.6
69.94912	1.9
71.19407	1.6
71.58752	1.6
75.69608	2.2
86.76843	2.1
91.56381	2.2
134.93700	1.7
172.66743	2.0
277.57208	2.0
312.53659	2.2
381.07803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
55.01850	6.9
55.05502	26.4
56.96549	5.4
57.03411	4.1
57.07078	2.9
57.46898	2.4
61.02900	11.9
67.05482	22.4
69.03408	49.2
69.07060	22.3
71.04961	25.7
71.27261	2.9
73.02882	4.2
78.33948	2.7
79.05463	29.4
81.03396	17.6
81.07036	62.8
83.04960	10.9
83.08610	6.4
85.02880	48.4
90.96481	2.7
91.05450	49.3
93.07011	62.6
95.04922	19.3
95.08582	44.2
97.02865	20.0
97.06481	5.2
97.10187	3.4
98.97552	24.9
99.04414	6.6
103.05437	6.7
105.03359	62.2
105.06999	100.0
106.03697	13.6
107.08562	51.3
109.02864	3.7
109.06481	4.8
109.10104	32.5
111.08057	4.7
115.05426	5.1
116.98577	16.3
117.06976	16.5
119.08544	55.3
121.06413	6.1
121.10123	48.3
123.08016	6.3
123.11623	5.0
124.12004	5.3
125.09628	7.5
127.03908	14.4
127.11157	5.8
128.98523	3.3
129.06950	11.5
130.07788	5.7
131.04901	73.0
131.08525	40.7
132.05209	22.0
133.10100	74.3
134.06020	4.4
134.99649	5.6
135.08032	4.5
135.11661	15.1
137.05951	6.1
137.09612	4.8
142.07747	5.1
143.08513	6.9
144.09229	3.2
145.10098	62.5
146.99629	5.5
147.11662	31.5
149.05943	3.0
149.13216	4.4
155.08495	3.0
157.10080	17.9
159.08034	4.1
159.11662	48.2
161.09526	3.8
161.13231	26.0
162.09108	37.1
163.09390	19.3
163.11005	3.9
164.09651	3.7
165.06963	3.0
167.06859	4.1
169.10075	5.2
171.11652	5.4
173.13191	18.6
175.07471	7.4
175.11151	6.0
177.00745	4.4
177.05553	4.8
183.11703	3.7
188.10594	24.8
189.10980	18.2
199.14812	5.4
201.16277	25.3
203.17917	6.1
219.01709	16.8
219.17409	15.5
237.02699	36.7
261.02689	6.4
279.03726	19.0
310.37418	3.5
345.20428	4.3
380.23334	4.6
381.23343	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	380.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01859	5.6
55.05499	6.2
57.03404	4.5
57.07033	0.6
59.11453	0.6
61.02909	5.6
67.05482	23.4
69.03406	18.7
69.07050	6.1
71.04961	12.8
73.02878	3.6
73.06521	0.7
75.92379	0.7
78.86167	0.7
79.05455	4.5
81.03375	5.5
81.07024	18.6
81.41827	0.6
83.04926	1.6
83.08601	1.2
85.02878	30.2
85.06507	7.6
85.23004	0.7
87.04439	1.1
91.03926	1.1
91.05444	17.0
93.07008	20.5
95.04929	3.0
95.08569	78.4
97.02865	9.2
97.06509	3.1
99.04420	6.8
99.08047	1.8
105.06987	6.4
107.08539	6.0
109.02857	1.5
109.06461	3.5
109.10126	50.7
111.08041	1.7
113.05941	3.3
119.07743	1.4
119.08544	29.8
120.08081	1.1
121.10106	5.7
123.07986	1.6
123.11650	13.3
125.05965	2.7
125.09606	1.4
127.03878	4.2
127.07442	1.1
129.07011	0.7
137.05946	4.5
137.09572	100.0
137.13194	1.8
138.06262	1.2
145.04919	1.5
147.08017	2.8
147.11647	8.9
149.76775	0.8
155.10619	27.7
163.03912	0.7
165.09053	44.4
165.12692	10.0
169.61214	0.7
180.08511	3.2
183.10097	27.4
183.13704	12.4
201.11157	76.4
201.14777	9.6
218.13866	1.1
221.12897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01857	3.9
55.05498	1.2
56.14759	0.4
57.03414	0.5
59.04972	0.6
61.02900	1.3
62.87505	0.5
67.05474	9.4
69.03413	4.3
69.07038	2.4
70.06554	1.0
71.04969	6.5
73.02872	1.1
79.05451	3.8
81.03371	2.5
81.07011	3.8
83.04947	0.8
83.08585	1.0
85.02869	12.3
86.09649	0.9
86.73779	0.5
87.04411	0.5
91.04571	0.6
91.05441	19.9
93.07011	15.3
95.04900	0.7
95.08568	23.3
97.02846	3.2
99.04449	1.2
101.02328	8.7
104.06053	0.6
105.06972	3.5
107.08566	2.8
109.06480	0.7
109.10128	12.0
113.05965	0.5
119.08535	65.5
119.66604	0.7
121.10107	2.2
123.08038	2.4
123.11633	0.7
127.03861	1.9
127.07542	0.6
137.09567	55.8
147.08011	5.3
147.09018	0.6
147.11678	4.1
155.10616	5.2
165.09012	8.4
165.12694	4.9
166.82965	0.5
182.18886	0.6
183.10062	3.7
183.13759	3.4
201.11150	100.0
311.70526	0.7
361.09534	0.6
380.26346	0.5
384.69904	0.6
404.09286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	19.5
57.07054	27.7
59.46904	3.0
67.05476	24.0
68.30438	3.2
69.07040	49.9
71.04958	5.4
79.05451	16.8
81.07021	37.2
83.08568	6.0
83.19283	4.0
85.06524	13.9
87.20756	4.0
91.05449	8.7
93.07016	45.5
95.04921	5.1
95.08573	29.5
98.13456	4.0
103.41724	4.2
105.04493	4.1
105.06962	16.8
107.08565	53.8
109.06445	17.4
109.10107	4.9
111.08043	5.2
119.08527	7.4
121.10110	16.9
123.08012	24.7
135.08029	63.3
135.11635	7.7
137.05919	18.6
139.07483	19.5
147.11566	8.4
149.09618	6.1
149.13158	4.9
152.08247	4.6
165.06955	4.3
165.09077	53.8
165.12709	4.8
177.12704	27.8
179.14285	6.9
181.15770	6.8
191.14230	5.3
209.15268	5.1
282.12720	3.9
305.20990	4.5
347.25690	100.0
361.27164	15.1
379.28262	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01792	1.1
50.55491	1.1
53.00288	1.3
53.03922	2.4
55.01851	9.0
55.05499	15.8
56.28536	1.5
57.03419	11.6
57.07060	2.8
60.04496	1.9
61.02902	6.2
65.03921	1.5
67.05481	47.3
68.99750	2.0
69.03403	30.9
69.07043	17.6
71.04575	2.8
71.04965	71.4
73.02885	5.7
78.25467	1.3
78.32626	1.3
79.05460	28.6
81.03402	11.9
81.07024	66.2
83.04958	16.2
83.08601	6.4
85.02875	81.2
85.06522	3.2
86.09691	1.6
87.04439	34.7
91.05445	65.1
93.07010	84.1
95.04931	21.3
95.08575	100.0
97.02868	18.3
97.06514	7.8
99.04417	23.6
99.08081	1.8
101.02345	3.6
105.04441	2.2
105.06995	32.3
107.04913	2.7
107.08570	29.7
109.02834	13.7
109.06476	9.0
109.10114	36.8
111.04392	9.1
111.08030	12.6
113.05981	7.1
115.03892	33.8
117.03370	1.4
117.06971	1.5
119.04904	7.1
119.08541	92.5
121.06462	6.5
121.10137	14.2
123.04395	1.6
123.08037	30.6
123.11661	50.3
125.09600	3.3
127.03885	36.2
129.06967	2.2
135.04362	1.9
135.08075	2.3
135.11624	1.9
136.07576	1.7
137.02304	2.3
137.09576	61.7
137.10605	2.4
137.13176	11.0
139.07550	2.5
141.05431	6.6
145.04948	7.2
147.04355	13.4
147.08018	17.7
147.11674	15.7
149.13225	2.3
151.07512	3.7
153.09021	2.0
153.12729	9.0
155.10625	17.0
163.03816	2.2
165.09065	47.1
165.12694	19.6
169.08554	35.0
183.10117	73.1
183.13631	11.6
185.04179	6.7
185.07932	1.8
186.04478	3.3
201.11148	45.6
211.02156	1.6
219.50076	1.4
338.93338	1.6
356.99957	1.6
380.10184	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04340	0.7
56.96542	1.9
60.05626	1.5
60.08141	1.3
60.63577	0.7
61.85713	0.9
68.47294	0.9
69.03400	1.5
69.44368	0.7
73.67121	0.8
74.06080	1.1
77.56578	0.9
81.35393	0.8
83.04953	1.2
85.02864	2.0
91.05440	3.7
95.04957	0.9
97.02872	1.1
98.97564	3.5
110.15043	0.9
112.07598	1.0
116.98572	1.3
119.04910	4.1
122.03620	0.9
134.06021	0.9
137.05933	19.2
138.06277	4.1
139.03886	0.9
143.98624	0.9
145.11803	0.8
147.04346	12.6
148.04651	0.9
153.05473	1.0
179.03178	1.1
181.08557	1.1
235.98972	0.9
237.02780	1.0
238.00847	0.8
239.05154	1.1
246.47807	0.9
272.09756	1.0
316.02554	1.0
333.09464	1.5
343.07593	1.7
361.08813	22.0
379.09894	100.0
379.15414	6.6
392.86816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	16.0
57.07060	19.2
60.09272	2.1
60.29873	1.9
67.05485	20.1
67.94974	2.0
69.07037	38.0
71.04948	10.2
79.05467	21.0
81.07036	30.6
83.04998	2.8
83.08585	5.2
85.06518	4.4
91.05470	19.1
92.09348	7.9
93.06994	45.9
95.08565	21.4
97.06494	3.0
101.09586	3.8
105.06986	16.1
107.08551	44.5
109.06490	12.9
109.10134	8.8
111.08047	5.0
119.08558	9.3
121.10094	18.0
123.08031	13.4
125.09657	2.7
129.01810	3.4
131.91396	2.5
133.10014	3.1
135.08014	48.3
135.11684	8.4
137.05902	4.5
139.07484	11.3
145.10121	3.7
147.11656	3.5
148.31825	2.3
149.09593	8.8
149.13171	3.9
152.08287	5.5
153.09154	2.4
159.11560	3.1
165.09053	55.0
165.12769	3.4
177.12686	24.6
179.14261	3.3
181.15800	9.1
191.14265	4.0
201.14703	4.1
209.15305	8.9
217.32713	2.4
217.43988	2.4
263.19925	3.7
263.32797	2.4
291.19556	2.9
305.20938	3.3
347.25647	100.0
361.27182	5.1
379.28381	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	378.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.4
53.14529	1.5
55.05487	2.8
57.03397	1.6
67.05480	2.6
69.03405	12.2
69.07054	16.9
71.04961	2.8
79.05475	10.3
81.03369	2.2
81.07030	40.2
85.02885	17.8
91.05441	1.8
93.07016	25.0
95.04926	2.1
95.08577	7.4
97.02866	2.8
97.06500	6.6
105.07001	13.2
107.08562	90.4
109.06499	24.4
109.10152	2.1
110.59110	1.5
111.11736	3.1
117.07024	1.6
119.08566	2.1
121.10088	18.7
123.08034	7.5
127.03898	2.1
130.07716	1.7
135.11653	51.3
137.09517	2.7
139.11145	28.2
145.10071	15.9
153.12701	2.5
160.44647	1.7
163.11136	70.8
181.12175	100.0
199.13234	62.1
199.14624	2.2
209.98088	1.6
235.74362	1.5
364.86075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.05238	0.7
55.05493	10.8
57.03407	0.8
57.07060	8.0
63.37148	0.5
67.05467	2.9
69.03397	1.2
69.07036	2.5
71.04947	0.7
76.33012	0.6
79.05456	3.6
81.07023	4.7
83.04955	6.8
85.02856	4.4
85.06500	4.3
85.22608	0.5
85.94631	0.5
91.05436	1.1
93.07005	9.0
95.04918	0.7
95.08569	11.2
97.02868	0.7
97.06493	3.4
105.07000	2.6
105.24811	0.5
107.07913	0.5
107.08553	15.6
109.06463	4.2
109.10110	2.8
111.04404	89.2
111.08020	2.1
113.05959	2.1
117.06988	0.9
119.08508	0.7
121.06447	2.4
121.10114	4.1
123.08012	1.3
125.05943	26.0
127.03868	0.6
127.07504	2.8
130.07751	0.7
135.08006	12.7
135.11641	17.8
137.13152	0.8
139.07492	3.1
145.10083	14.6
147.95750	0.5
153.12706	6.1
163.11118	21.8
181.12167	100.0
199.13222	32.9
315.42371	0.6
343.83435	0.6
403.90063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.4
55.01847	0.4
56.96541	0.7
57.03408	0.5
59.06086	1.2
61.02893	1.3
67.05477	0.3
69.03393	2.2
70.06542	1.3
79.05456	0.2
81.03374	0.7
83.04943	0.5
85.02873	5.2
87.04453	0.4
91.05441	0.7
95.04926	2.8
97.02843	1.7
98.97561	0.3
101.28594	0.3
103.05415	0.4
107.04943	0.4
111.04398	0.5
112.07584	0.7
116.98570	0.6
119.04885	1.8
121.02801	0.4
122.03624	2.3
123.04385	1.5
127.03836	0.6
131.04890	1.4
135.04427	0.6
137.05930	100.0
138.06319	0.3
139.03847	1.5
139.84457	0.3
140.04637	6.0
143.00351	0.3
147.04349	1.4
147.32433	0.3
151.07497	0.4
154.59703	0.3
155.06958	2.3
160.05290	0.3
161.01187	0.3
163.03831	0.6
163.07494	1.7
169.85478	0.3
173.08073	0.4
175.07477	0.5
177.00679	0.6
179.03346	0.6
181.04918	0.7
181.08524	5.8
189.00636	0.4
199.05954	3.2
203.02281	0.4
212.08261	0.4
213.08972	0.4
367.08710	0.3
378.08484	1.6
378.14044	0.5
379.10263	0.3
379.15613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12352	3.4
53.03937	5.8
54.81255	3.4
55.01853	52.8
55.05494	7.2
56.96536	4.0
57.03408	6.5
57.59921	3.0
59.04982	2.9
61.02908	3.8
67.05481	22.6
69.03400	41.5
69.07035	18.9
70.06546	3.9
71.04970	4.3
73.02911	5.0
75.50380	3.0
79.05447	20.4
79.13390	3.1
81.03381	6.7
81.06999	23.3
83.04969	5.3
85.02871	47.4
85.06552	4.3
91.05441	13.7
93.07003	55.8
95.04934	13.2
95.08566	72.8
97.02862	15.3
97.06500	37.3
98.97564	3.4
99.04420	4.3
105.03390	3.6
105.06984	28.5
107.04921	14.6
107.08556	31.9
107.71077	3.4
109.06435	5.4
109.10120	28.3
111.08018	26.8
117.07001	7.0
119.04873	4.0
119.08558	4.9
121.10103	47.4
123.08019	49.9
124.03898	7.5
127.03876	5.2
127.11156	14.3
131.74400	3.8
133.10100	5.7
135.08025	31.9
135.11650	8.5
137.05939	13.6
137.09592	3.4
139.11137	74.5
141.09058	22.0
145.10059	6.4
148.05151	4.3
153.09059	6.7
161.05902	3.7
163.07428	17.0
163.11099	5.0
169.12187	7.1
179.10641	4.4
181.08533	100.0
181.12167	37.6
197.11682	4.1
198.12061	4.2
199.09636	26.5
199.13269	45.2
230.19217	3.6
237.02831	5.5
403.74481	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	378.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
56.96536	0.2
57.03414	1.4
61.02899	1.8
62.43344	0.2
65.03917	1.7
67.89983	0.2
69.03394	2.3
73.02853	0.4
81.03378	1.4
85.02374	0.4
85.02879	10.2
90.51402	0.2
91.05431	3.1
93.03371	5.0
97.02861	3.3
97.06716	0.2
98.97552	0.5
99.04397	0.5
107.04951	0.6
107.06516	0.3
109.02841	1.1
111.04409	28.7
116.98586	0.4
119.04902	2.7
121.33344	0.3
127.03864	1.5
135.04352	0.6
137.05957	2.4
139.03860	100.0
140.04640	0.4
145.04951	1.0
153.01768	1.8
153.05389	0.2
161.15154	0.2
163.03821	1.4
181.04895	42.8
199.02408	0.3
199.05962	0.3
221.35501	0.3
291.79962	0.3
343.10175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01853	0.7
57.03408	2.0
61.02904	2.4
64.86890	0.4
65.03906	0.9
67.05474	1.7
69.03403	4.9
70.06559	2.3
73.02882	0.6
76.54822	0.4
81.03381	3.1
85.02878	17.4
91.03929	0.7
91.05457	0.4
92.08680	1.5
93.03381	0.6
95.04929	26.8
96.98002	0.5
97.02856	5.5
98.97599	0.6
105.04497	0.6
107.04965	0.5
109.02890	1.5
110.03608	0.6
111.04416	1.0
112.07543	0.8
119.04891	0.4
121.02834	0.7
123.04392	16.5
125.02306	5.2
127.03893	2.0
135.04373	0.6
140.04642	100.0
145.04915	2.0
155.06979	28.2
163.03844	2.0
164.04138	0.5
167.03365	2.1
167.07004	0.6
173.08083	4.0
180.08646	2.9
181.04921	9.4
181.08513	1.0
199.05959	41.7
298.20511	0.5
377.13986	0.6
378.08636	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	378.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33767	0.4
53.03928	0.8
55.01849	0.5
56.96542	1.7
57.03406	2.4
58.60342	0.5
59.38263	0.4
61.02896	3.6
65.03898	2.4
67.01801	0.4
67.05463	0.7
69.03391	6.0
71.04948	0.5
71.36169	0.5
73.02905	0.7
74.22039	0.4
76.55484	0.4
79.05477	0.6
81.03373	2.4
83.04931	0.6
85.02870	16.7
87.04436	0.6
89.03867	0.4
91.03891	0.5
91.05424	5.3
93.03365	3.3
95.04926	3.5
97.02850	5.3
98.97527	2.5
107.04915	2.9
109.02818	0.8
111.04403	33.1
116.98553	0.8
117.03331	0.5
119.04909	5.6
121.02773	0.6
121.06450	0.5
123.04382	2.8
127.03844	3.1
131.04912	0.7
135.04358	4.0
137.02292	0.6
137.05919	12.9
139.03847	100.0
140.04628	9.8
143.00075	0.9
145.01520	0.5
145.02742	0.6
145.04887	1.7
147.04359	2.9
151.07475	2.8
153.01775	46.9
153.05382	2.7
155.06956	2.3
163.03842	6.4
164.04214	0.6
169.06831	0.5
171.02823	3.0
177.00653	0.5
181.04883	43.9
181.08430	6.0
189.00571	0.8
199.02299	7.8
199.05931	5.1
216.06517	2.7
237.02692	0.9
249.02551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	17.7
56.44446	2.5
57.07048	2.8
67.05477	30.3
69.07028	27.6
71.04968	2.8
79.05470	38.1
81.07031	71.8
83.08573	10.8
86.83348	2.4
91.05442	32.2
93.07014	73.6
95.08567	93.0
97.10116	4.4
98.97516	2.9
105.06999	61.6
107.08559	100.0
107.64660	2.6
109.06452	3.4
109.10131	48.2
117.06967	11.4
117.13293	2.9
119.08538	66.5
121.09245	5.1
121.10094	62.3
123.07984	4.7
123.11662	24.7
128.70639	3.0
129.06955	4.8
131.08548	20.5
133.10086	52.4
135.11656	61.6
137.09560	5.0
137.13156	6.3
137.78766	2.8
143.08519	4.0
145.10083	38.8
147.11612	31.3
149.13211	35.8
151.11121	3.4
157.10025	11.3
159.11667	33.6
161.13184	44.1
163.14766	30.7
171.11710	5.8
173.13187	31.4
175.14774	37.4
177.16367	17.2
179.14252	16.7
182.25438	3.0
185.13197	10.1
187.14720	25.7
189.16315	41.8
191.14294	3.8
198.52193	2.7
199.14731	5.0
201.16335	17.5
206.06281	2.7
207.17413	13.3
213.16408	5.8
215.17900	17.3
225.16449	3.3
227.17960	6.8
229.19472	10.4
255.21008	3.5
276.62991	2.9
297.25769	17.7
311.27209	32.9
315.26572	10.6
323.27020	6.8
329.28189	17.3
341.28223	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	377.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71770	0.4
52.72038	0.4
53.03922	0.6
55.01854	4.1
55.05490	1.1
57.03411	3.0
61.02893	2.0
62.79325	0.4
65.97462	0.4
69.03413	5.9
70.06600	0.4
71.01331	0.5
71.04951	1.7
73.02889	0.7
79.05447	2.3
81.03368	1.7
81.07024	18.6
83.04955	0.4
85.02860	1.0
91.05449	1.9
93.07008	1.9
95.08552	0.5
98.58231	0.5
99.04417	1.0
105.07001	1.0
107.08543	1.0
109.06492	9.2
109.10126	0.6
111.04414	2.3
119.08601	0.5
125.05956	3.2
127.03853	0.6
129.18260	0.5
133.10081	2.0
137.05933	100.0
138.06276	0.6
143.08485	0.9
151.11140	0.5
156.55731	0.4
161.09593	3.1
172.08629	10.3
179.10605	13.0
190.09698	0.6
197.11661	23.5
198.06540	2.2
199.09686	0.5
200.08107	0.8
216.07594	7.7
243.08682	17.8
333.39325	0.4
377.09271	0.8
377.14404	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	377.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
56.05009	0.5
57.03412	0.4
67.05479	4.5
69.03391	1.4
69.07037	5.8
70.06574	3.5
71.04945	0.7
73.02911	0.3
79.05454	1.8
80.04981	0.4
81.03378	1.3
81.07040	2.6
83.04944	0.4
84.08096	0.5
85.02867	2.0
90.17502	0.3
91.05434	1.9
92.87622	0.3
93.07010	3.4
94.06532	0.7
95.04920	0.7
95.08031	0.4
95.08578	7.6
96.04453	0.8
97.02843	0.4
97.06470	0.4
98.05975	0.4
99.05545	4.0
105.07005	0.6
107.04934	0.3
107.08554	0.7
108.08112	0.6
109.06461	0.5
109.10133	9.2
110.09657	1.3
110.59196	0.3
111.05553	3.3
111.11625	0.4
112.11168	0.5
113.07096	0.4
115.13958	0.3
119.08529	1.5
121.06429	0.4
124.11157	0.4
125.06031	0.4
125.07054	0.6
125.09531	0.4
126.12722	1.6
127.08549	0.3
131.19153	0.3
134.05934	0.6
134.09583	0.4
135.07993	0.4
136.11165	6.7
137.05963	0.6
137.07057	1.2
137.09535	2.6
138.05455	6.3
147.04326	0.7
151.07458	0.4
151.12273	1.9
152.06975	0.4
152.10661	1.3
153.10196	0.6
154.12216	4.7
161.13301	0.4
162.08965	0.3
162.82207	0.3
179.11736	29.2
180.06398	2.2
197.12793	100.0
198.07642	0.5
215.13847	38.6
237.24765	0.3
243.08720	0.4
254.95012	0.3
377.08255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66179	0.7
60.79789	0.7
66.47044	0.8
86.74650	0.8
106.06572	0.7
108.60946	0.8
129.03163	0.8
131.66371	0.9
137.05945	0.9
145.02832	1.0
163.03851	5.0
185.02019	1.3
193.90562	0.9
197.04138	1.8
199.48880	0.8
215.05200	6.2
359.07245	1.2
377.08298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81033	1.0
76.04192	0.8
80.23148	0.8
93.54260	0.8
101.16421	0.9
135.04359	2.0
145.02795	0.9
157.70113	0.9
163.03864	4.8
185.16292	0.9
197.04138	2.0
215.05171	7.1
218.16798	0.9
241.23317	0.9
256.90079	0.9
359.07245	3.4
377.08279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90719	0.1
53.03916	0.5
56.96532	0.2
59.58347	0.1
65.05527	0.1
65.69504	0.1
67.51461	0.1
69.03394	0.1
77.03874	0.1
85.02879	0.5
85.80674	0.1
91.05449	2.1
93.07001	5.5
93.07583	0.2
95.04933	1.0
98.97505	0.7
101.20341	0.1
103.05426	2.9
104.85235	0.1
105.04484	0.2
114.35177	0.1
116.98569	0.3
121.06455	100.0
122.06797	0.8
135.04343	0.1
138.09091	15.5
147.04337	0.1
149.94858	0.1
158.99580	0.1
163.03882	0.6
174.51093	0.1
219.01807	0.1
237.02690	0.2
239.04309	0.1
287.74066	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	376.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01844	1.0
57.03405	3.0
61.02912	5.0
64.31334	0.6
69.03409	5.4
71.04946	0.7
73.02869	0.8
79.56624	0.7
81.03372	2.8
85.02376	1.2
85.02872	26.1
85.03379	1.1
91.03904	0.8
97.02863	6.2
109.02795	0.7
127.03870	2.6
136.39665	0.6
137.05930	100.0
145.04889	2.8
151.07486	1.2
163.05991	0.6
169.34665	0.6
179.06960	17.7
179.10526	1.2
180.08612	1.0
197.07990	5.1
211.99486	0.6
262.29129	0.6
263.74271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
56.96552	0.5
57.03423	0.1
61.02905	0.1
69.03392	0.3
69.79860	0.1
71.14542	0.1
84.62802	0.1
85.02872	0.6
86.99247	0.1
91.05446	2.2
93.06425	0.2
93.07009	5.6
95.04927	1.1
97.02836	0.1
98.97552	0.8
103.05431	2.5
105.04459	0.2
115.95300	0.1
116.98602	0.4
120.02539	0.2
121.06463	100.0
122.06789	0.5
127.03863	0.1
129.03072	0.4
134.99609	0.2
138.03488	0.1
138.09099	14.1
143.00146	0.1
147.04343	0.2
150.09941	0.1
150.45837	0.1
156.13850	0.1
161.01131	0.1
163.03795	0.4
165.71478	0.1
173.01134	0.1
192.04642	0.1
221.31616	0.1
237.02684	0.2
239.04372	0.2
288.92139	0.1
300.32779	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	375.2368
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
50.29347	1.4
52.52042	1.7
53.00291	1.8
53.03931	3.9
55.01855	11.1
55.05497	32.4
56.37178	1.9
57.03433	13.1
57.07060	8.3
59.04978	4.3
61.02898	14.3
61.50867	1.8
67.05486	17.5
69.03401	53.2
69.07040	64.0
71.04966	13.4
71.08089	1.8
73.02892	2.5
79.05465	11.5
81.03392	21.1
81.07024	46.7
83.04954	13.0
83.08596	10.2
85.02877	100.0
85.03391	4.0
85.06506	19.7
87.04430	3.6
91.03936	2.2
91.05440	4.1
93.07001	28.9
95.04913	2.7
95.08569	61.8
95.09142	3.1
97.02851	32.3
97.06488	8.9
97.10128	16.2
99.04404	2.5
99.08056	22.2
101.02316	2.3
105.07006	9.5
107.04912	2.3
107.08559	32.8
109.02852	9.8
109.06538	2.1
109.10117	32.1
111.08054	9.4
111.11673	8.1
113.09629	8.9
119.08527	3.4
121.10093	47.5
122.99763	1.8
123.11657	14.4
125.09605	11.5
127.03859	14.6
131.08510	2.1
133.10031	2.2
135.11656	22.7
135.27194	1.9
137.13214	21.5
139.11142	7.9
145.04939	9.8
145.10114	2.5
147.11646	2.5
149.13260	4.0
151.11162	2.5
151.14841	2.9
153.12721	9.8
165.48035	1.9
177.16322	67.7
195.17397	26.6
213.18433	45.0
213.20290	3.1
307.28662	1.9
321.24121	3.9
375.23624	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	375.2368
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01842	1.3
55.05243	0.7
55.05496	11.9
56.47919	0.5
57.03394	0.9
57.07049	3.1
59.04943	0.5
61.02893	1.0
63.48211	0.6
65.03899	0.5
67.05478	5.3
69.03396	4.2
69.06679	1.1
69.07042	25.7
71.04958	4.1
79.05460	8.4
81.03389	1.2
81.07026	20.1
83.08594	12.9
85.02876	8.9
85.06512	3.1
91.05442	4.0
92.08698	0.9
93.07011	18.0
93.19817	0.6
95.08572	44.7
97.02836	0.9
97.10118	9.8
99.08053	21.8
102.76460	0.7
105.07008	5.4
107.08564	48.6
107.69382	0.6
109.10124	13.5
111.08039	11.2
111.11593	1.0
113.09609	3.0
121.10101	83.5
123.08066	0.7
123.11639	2.7
125.09589	6.4
135.11636	17.0
137.13197	8.8
139.11124	1.0
149.13214	5.2
177.16321	100.0
195.17369	18.0
201.26471	0.6
213.18430	20.5
274.56442	0.6
365.28583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45089	0.7
55.01852	3.2
55.05488	11.5
57.03403	0.7
57.07049	1.4
61.02878	0.8
67.05462	4.6
69.03416	5.0
69.07038	21.9
71.04955	4.9
79.05461	6.5
81.03372	1.2
81.07019	19.8
83.08147	0.7
83.08593	13.6
85.02877	9.7
85.06503	4.7
85.77876	0.6
91.05432	3.0
93.06999	21.1
95.08567	43.7
97.02816	1.2
97.10128	8.6
97.51399	0.7
99.08044	16.9
101.48700	0.6
104.40334	0.7
105.06974	4.3
107.08557	49.6
109.10104	9.6
111.08037	13.7
113.09586	1.4
119.08524	1.5
121.10095	76.4
123.11631	1.4
125.09589	8.3
135.11652	13.2
137.13202	9.4
139.11093	1.5
149.13234	6.0
177.16312	100.0
195.17365	18.9
213.14844	0.9
213.18402	20.2
235.10391	0.7
334.92679	0.8
346.31247	0.7
354.09912	0.7
380.53802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2368
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03905	0.6
55.01831	0.9
55.05490	13.2
57.07042	2.9
58.56050	0.5
61.02876	0.9
62.98166	0.6
67.05473	4.4
69.03399	4.9
69.07037	23.4
71.04957	2.7
79.05450	8.4
79.75578	0.6
81.07018	24.7
83.08582	14.4
85.02873	9.4
85.06512	3.7
91.05449	3.1
93.06995	22.2
95.08562	49.7
97.02850	1.0
97.10115	8.8
99.08043	23.4
105.06997	4.4
106.02549	0.7
107.08552	55.8
109.02886	0.9
109.10108	11.9
111.08047	11.4
111.11623	0.6
113.09591	2.9
114.35249	0.7
119.08532	0.9
120.30917	0.6
121.10091	86.3
123.08004	0.8
123.11681	1.4
125.09571	7.3
125.13233	1.1
128.61508	0.6
135.11644	17.0
137.13200	9.1
139.11137	0.8
149.13182	6.3
177.16307	100.0
178.16577	1.2
195.17386	16.5
213.18404	20.4
362.62537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.32203	1.1
55.01842	7.7
55.05492	19.9
56.96548	1.4
57.03408	5.7
57.07045	8.3
59.04946	1.9
59.84409	1.3
65.03901	1.2
65.09926	1.1
65.75939	1.0
67.05481	38.8
69.03407	19.7
69.07040	31.3
69.16625	1.2
71.04967	14.5
75.03790	1.1
75.88937	1.2
79.05461	33.8
81.07024	91.2
81.75710	1.2
83.04939	14.6
83.08600	9.6
84.36657	1.1
85.02850	5.7
85.06513	12.6
91.05448	28.1
93.07002	84.1
95.04935	19.4
95.08570	52.0
97.02920	1.7
97.06496	22.0
97.10084	2.2
99.04412	11.3
99.04964	1.2
99.08054	3.0
101.05933	1.8
103.05412	2.6
104.13833	1.2
105.03348	5.6
105.07001	41.7
106.03706	1.6
107.04920	8.5
107.08559	52.1
109.06488	26.0
109.09412	2.0
109.10120	41.4
111.04446	2.4
111.08043	19.8
113.05943	1.5
117.06963	6.3
119.08537	30.8
121.06464	43.8
121.10091	30.9
121.25304	1.2
123.04357	5.9
123.08005	5.6
123.11664	22.6
125.05939	6.6
125.09574	15.6
127.07480	7.4
127.11156	1.4
129.06967	5.2
131.04901	2.1
131.08533	12.1
133.06407	3.1
133.10091	22.4
135.04381	5.1
135.08041	13.4
135.11632	8.2
137.05931	8.2
137.09581	5.4
139.07503	9.2
139.11118	7.6
140.07088	1.4
142.07747	1.3
143.06999	3.0
143.08516	8.4
145.10060	10.6
147.04367	2.3
147.07956	6.7
147.11638	38.8
149.05879	1.4
149.09587	5.4
149.13226	2.8
151.11162	4.5
152.66205	1.3
153.05441	1.7
153.09126	1.3
153.12671	2.0
155.08467	1.5
156.09293	5.4
157.10042	14.1
159.11630	5.9
161.06055	1.4
161.13156	9.9
163.03905	2.1
163.11142	5.0
163.14816	1.7
165.12711	5.5
166.07645	1.6
167.03358	1.2
167.06950	12.6
169.12143	1.4
171.11601	11.3
173.09476	2.8
173.13116	2.5
175.07495	1.9
175.11131	16.9
177.09048	1.4
177.16310	5.7
181.10063	1.7
187.14851	1.3
189.12659	16.3
191.14290	1.4
193.08502	1.5
193.12172	10.6
195.17464	1.9
199.11137	15.1
207.13715	5.7
211.13277	1.9
213.14485	2.3
213.18585	2.0
217.12180	32.4
235.13194	36.7
253.14262	22.9
267.09970	1.6
285.22220	2.7
303.23080	3.1
321.24106	6.5
329.13562	2.4
357.13217	2.8
375.19751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1273
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
53.03919	2.2
55.01833	1.8
56.96524	1.6
61.02898	3.1
62.38655	1.1
64.37062	1.2
65.03904	6.0
67.05487	11.7
69.03405	3.0
72.08119	2.2
73.02863	1.8
74.03585	1.2
79.05463	24.7
81.03380	2.1
81.07006	6.5
83.04955	8.0
85.02906	9.5
89.03885	1.7
91.04900	2.3
91.05448	54.4
92.08665	3.0
93.03362	5.6
93.07011	7.3
95.04931	19.4
97.02840	2.0
103.05432	5.2
105.03336	2.6
107.04923	65.1
109.06477	10.4
110.03626	5.4
111.04387	11.8
116.98547	2.0
117.03333	1.2
119.04903	100.0
121.05626	1.6
121.06467	32.5
122.03642	2.4
122.09203	1.3
123.04410	15.1
125.05970	19.0
127.03884	12.2
133.02831	1.6
135.04385	28.5
137.05013	2.1
137.05945	34.7
139.07504	1.5
141.05428	5.0
147.04364	12.9
147.06407	1.4
149.05957	9.7
150.03026	2.3
151.03886	28.6
151.04990	3.7
153.05414	7.4
161.05882	5.5
163.03864	9.2
164.04314	1.4
165.05408	26.8
167.06958	2.8
177.05403	8.3
183.06483	28.7
189.06010	1.6
195.06403	5.5
203.06972	2.4
213.07451	27.7
252.46306	1.3
375.07767	2.3
375.12369	32.5
375.16568	2.2
390.23135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15662	0.4
56.96530	1.3
57.03410	0.7
59.84482	0.4
61.02899	0.7
64.32664	0.6
67.05447	0.6
68.17119	0.7
69.03394	3.2
70.06554	0.7
71.04951	0.7
72.08121	0.6
79.05421	2.3
81.03370	1.8
82.04391	0.5
83.04945	0.7
85.02867	6.1
86.09665	0.7
89.03904	0.6
91.05477	4.3
93.06986	3.3
95.04891	0.9
97.02836	2.6
105.06976	3.2
107.04914	1.1
107.08573	6.2
108.16817	0.5
116.79836	0.5
117.03357	0.6
119.04890	1.0
119.08520	8.0
121.02798	0.6
121.10088	4.7
123.04364	5.3
123.08006	0.7
127.03853	0.7
131.08498	4.3
133.02756	0.8
133.06520	0.8
133.10091	1.1
135.04370	2.5
135.07959	0.7
137.05908	2.3
145.02814	0.6
147.04358	4.7
147.07938	1.0
149.09569	5.9
151.07547	1.0
159.08104	0.6
161.01207	0.8
162.05400	1.0
163.03819	3.3
164.04169	0.9
165.09027	2.2
167.07091	0.6
167.10600	1.0
177.09038	6.7
179.02150	0.6
195.10068	6.1
213.11136	17.2
214.10786	0.6
224.89987	0.5
249.02545	0.5
261.09335	8.9
299.07425	0.7
367.37930	0.5
375.12433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89002	0.9
52.02698	0.7
55.01870	1.9
55.05494	11.2
56.05824	1.2
57.03411	3.7
57.07044	1.4
58.07401	0.8
59.04971	1.6
61.02919	1.0
67.05479	22.9
68.05811	4.6
69.03405	12.5
69.07046	16.9
70.03722	1.4
70.07375	5.2
71.04955	5.1
77.37859	0.8
79.05458	4.9
80.05814	0.9
80.40508	0.9
81.03390	5.2
81.07026	26.3
82.07360	5.9
83.04945	11.5
83.08595	8.1
84.05302	1.4
84.08901	1.5
85.02874	16.8
85.06522	4.7
86.03202	1.7
86.06870	0.9
86.89017	0.9
91.05396	3.2
93.06998	14.1
94.07343	4.3
95.04918	2.0
95.07957	1.4
95.08568	31.2
96.08894	12.7
97.02853	2.2
97.06483	2.4
97.10109	1.4
98.10494	1.0
99.08070	3.7
105.03313	1.1
105.07005	8.4
106.07327	3.8
107.08564	28.0
108.08894	10.6
109.02907	1.0
109.06486	11.3
109.10119	100.0
110.06826	5.8
110.10459	39.6
110.11214	1.4
110.69797	1.0
111.08044	4.6
112.08448	1.2
113.09624	1.1
119.08535	25.6
120.08878	14.9
121.10095	12.7
122.10428	6.3
123.08041	13.2
123.11649	9.1
124.08358	7.2
124.11993	2.3
125.09593	1.4
127.03857	1.9
128.11530	1.1
131.08531	1.0
133.10078	27.7
134.10405	15.4
135.08023	1.4
135.11644	72.3
136.11974	44.5
137.05969	1.6
137.09560	18.8
138.09880	8.8
139.11121	1.7
145.04924	1.4
149.13220	7.0
150.13550	4.2
151.03882	1.7
151.11150	5.8
151.14813	9.8
152.11520	3.6
152.15053	6.7
153.12794	1.2
175.14769	24.2
176.15080	23.4
177.09023	1.6
188.41203	0.9
193.15816	28.0
194.16142	27.9
194.17781	1.5
209.92290	0.9
210.89830	0.9
211.16884	31.4
212.17213	29.0
220.10298	1.0
236.59351	1.0
261.45728	0.9
277.11084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.05498	0.9
57.03408	0.3
61.02915	0.3
62.14706	0.2
62.37724	0.2
65.03927	0.5
66.53056	0.2
67.05486	1.3
69.03416	1.2
69.07037	0.5
70.13385	0.2
71.04971	0.3
71.44586	0.2
73.02895	0.5
79.05455	1.3
81.03398	1.0
81.07018	2.0
83.04946	0.4
85.02879	2.3
85.06503	0.2
86.09670	0.4
91.05449	1.5
93.07014	2.1
95.04931	3.8
95.08569	19.9
97.02870	0.5
97.06511	0.3
105.06999	3.7
107.04910	0.3
107.08575	2.6
109.02908	0.4
109.06482	0.5
109.10099	0.3
117.06983	1.0
119.08518	3.3
119.09230	0.3
120.08852	0.5
121.02831	2.3
121.06461	0.6
121.10123	1.2
123.04359	0.3
131.04959	0.3
131.08517	1.2
133.10098	6.8
134.10411	1.6
135.08008	0.3
135.11662	1.6
137.05946	0.5
143.08516	1.5
144.09282	0.3
145.10098	4.1
147.11664	0.3
149.02292	100.0
150.02647	1.3
151.03786	0.3
157.10118	0.3
159.08047	0.2
159.11594	2.7
163.03864	0.6
163.11118	64.9
164.11472	0.6
167.03342	2.3
169.10060	0.5
171.11632	0.4
175.14728	1.3
176.15094	1.1
177.05402	8.4
177.09048	0.4
181.12199	0.4
187.11115	1.6
189.12715	0.4
195.06464	7.8
205.12206	2.2
351.07013	0.3
374.19107	0.3
396.72760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50793	0.9
55.05494	11.6
56.05835	1.5
57.03413	7.2
57.07051	3.0
58.03373	0.9
61.02901	5.0
65.37718	1.1
67.05479	16.0
68.05823	2.1
69.03401	11.5
69.07034	12.3
70.07369	2.8
71.04944	6.5
72.05293	1.6
79.05450	2.6
81.03391	5.8
81.07024	20.3
82.07360	6.2
83.04956	5.0
83.08588	9.6
84.08926	1.6
85.02874	38.1
85.06522	4.5
86.03200	7.8
91.05437	5.9
93.06997	9.4
94.07328	5.4
95.04922	1.8
95.07949	1.8
95.08563	44.5
96.08903	14.7
97.02845	7.4
97.06466	10.5
97.10126	2.5
97.79148	1.2
98.03242	1.6
105.03341	2.0
105.06998	6.6
106.07328	2.1
107.08552	20.0
108.08893	11.0
109.06476	8.2
109.10115	71.5
110.06830	2.1
110.10452	30.1
111.08038	33.3
112.08375	12.8
114.35091	1.3
119.08528	29.5
120.08857	16.5
121.10101	20.4
122.10422	9.6
123.08015	27.0
123.11665	14.5
124.08319	10.8
124.11974	6.8
125.09578	2.4
127.03865	4.9
133.10078	23.7
134.10390	16.4
135.11652	35.5
136.11978	21.1
137.09554	60.9
137.13171	2.4
138.09880	32.7
138.13478	1.5
139.10799	1.6
145.04974	1.6
147.11646	6.1
148.11923	5.1
149.13199	11.5
150.13545	9.1
151.11125	2.2
151.14772	5.9
152.11476	1.9
152.15059	2.1
165.12694	2.7
165.16325	2.9
166.13007	5.0
166.16629	1.4
175.14742	32.2
176.15100	32.9
186.97952	1.3
191.03307	1.9
193.15813	25.6
194.16148	23.4
211.16853	93.2
212.17195	100.0
219.92804	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
55.05488	0.4
57.03406	0.9
61.01131	0.2
61.02888	0.3
65.03895	0.8
67.05463	0.2
69.03396	3.9
71.01315	0.2
73.02873	0.3
81.03395	0.4
83.04942	3.1
85.02869	1.8
85.87154	0.2
87.04418	0.3
91.05446	4.9
93.03354	0.2
95.04922	0.8
98.97527	0.3
99.04409	0.3
100.09113	0.2
107.04937	0.2
111.04410	2.3
113.02320	0.2
119.04892	21.6
123.04408	1.6
126.06448	0.2
129.05429	1.5
135.04413	0.2
139.03864	0.3
147.04356	100.0
148.04695	0.3
163.03914	1.2
165.05391	0.4
165.07484	0.2
183.08623	1.4
200.37093	0.2
203.03358	0.3
304.58252	0.2
322.07486	0.2
339.10693	1.4
360.70139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96870	0.1
55.05503	0.1
60.83660	0.1
65.03910	0.6
67.05463	0.6
72.28796	0.1
83.04932	1.4
85.02847	0.2
91.05438	4.8
92.63305	0.1
95.04919	0.9
111.04397	0.8
119.04899	19.8
123.04383	1.2
147.04362	100.0
148.04730	0.3
160.43622	0.1
163.04153	0.2
165.05443	0.8
192.59628	0.1
243.39525	0.2
243.42238	0.1
255.61250	0.2
258.11450	0.1
339.10556	1.7
383.21826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
54.80991	0.2
55.01845	0.3
55.05504	0.2
56.96539	1.2
57.03404	1.6
61.02892	1.8
65.31297	0.3
67.79497	0.3
69.03397	3.8
71.04942	0.4
73.02873	0.4
81.03383	2.1
81.07020	0.5
85.02374	0.5
85.02875	11.4
86.09673	2.5
87.00788	0.5
90.44210	0.3
91.03912	0.5
91.05440	4.2
93.06996	0.3
94.04127	0.3
95.04927	0.3
95.08540	0.3
97.02850	4.5
98.97534	0.6
99.04401	0.6
105.01820	0.4
107.04930	0.6
107.08553	0.4
109.02853	1.2
109.10150	0.6
110.97527	0.4
117.06999	0.4
120.08872	0.4
121.06367	0.3
122.03568	2.0
123.04430	0.4
127.03894	2.7
128.98535	0.5
133.10123	0.3
137.05931	100.0
137.51778	0.3
138.06282	0.7
145.02779	0.5
145.04936	1.4
145.06433	0.4
146.99486	0.3
147.04367	0.6
152.10643	0.4
153.11018	0.3
159.07990	0.3
161.05864	0.6
163.03888	0.4
163.07475	1.1
173.05988	0.3
177.05405	1.6
177.09055	0.3
180.10138	0.3
189.00662	0.4
189.09114	0.5
191.06947	1.0
194.16049	0.3
195.10123	4.5
207.10101	0.5
222.11179	1.2
236.38588	0.3
237.02733	0.4
239.12688	0.3
249.05833	0.3
249.10997	0.5
303.04840	2.5
333.05524	0.4
373.17923	0.3
374.18658	2.7
375.12619	0.3
377.01575	0.3
395.02969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60837	2.9
54.81231	3.7
55.05494	74.0
57.03418	8.1
57.07063	20.1
60.62156	2.9
66.47266	3.3
67.05476	62.0
69.07040	92.1
76.55611	3.8
78.96832	3.7
79.05457	28.5
80.37833	3.5
81.07028	100.0
83.08594	61.2
87.95309	4.2
91.05447	28.8
93.07014	44.6
95.04955	15.1
95.08575	85.2
97.06512	6.5
97.10132	37.5
97.51411	3.5
99.26960	3.6
105.07030	29.3
107.08576	17.8
109.10110	28.8
111.11697	6.6
111.66907	4.1
119.08570	23.3
121.10098	21.8
122.33295	3.5
123.11645	5.8
128.06212	5.9
131.08537	6.3
133.10107	17.2
135.11626	16.5
142.07735	8.0
142.79381	3.5
143.08559	5.8
145.10034	5.0
147.11624	9.2
149.13249	6.9
157.79286	3.4
179.08513	4.1
195.11800	4.7
207.11633	4.2
228.84688	4.1
234.96365	4.4
245.22495	6.2
263.23599	16.6
281.24631	4.4
355.28287	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
59.72638	0.2
60.36284	0.3
61.02890	0.7
63.02371	0.3
63.25982	0.3
69.03398	1.6
73.02891	0.4
81.03391	1.4
82.95269	0.3
85.02880	4.8
87.63147	0.3
89.03884	7.2
91.05449	0.5
95.08559	0.4
97.02840	1.5
99.04393	0.3
103.05418	0.4
106.04160	0.5
117.03341	25.5
121.06447	0.6
125.05917	0.3
134.03595	1.4
135.04372	3.5
145.02805	68.5
149.05934	12.8
153.05446	1.1
162.03046	1.3
163.03854	5.7
177.05411	100.0
178.05766	0.3
180.08546	0.5
195.06467	26.3
204.87305	0.3
212.03857	0.3
373.18393	2.0
374.18649	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	373.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42496	0.9
53.03923	1.6
55.01855	1.1
55.05491	15.7
55.07628	1.2
57.03412	2.6
57.07046	4.6
59.04970	2.4
61.02922	1.1
61.25227	1.1
67.05480	20.4
69.03410	13.2
69.07040	21.0
69.90504	1.0
71.04958	2.3
74.54166	1.1
75.47932	1.2
77.03881	1.0
79.05463	10.5
81.03408	2.0
81.07022	21.9
82.10900	1.2
83.04939	8.1
83.08589	7.6
85.02872	24.8
85.06505	6.3
91.05432	9.6
93.07002	32.9
95.04925	6.3
95.08559	39.0
97.02866	5.5
97.06448	1.1
99.08050	43.3
105.06989	18.9
107.04932	1.4
107.08556	35.4
109.02814	1.5
109.06480	7.4
109.10116	78.2
109.91981	1.0
111.08067	1.5
119.08532	45.4
121.10090	18.7
123.08022	13.5
123.11655	7.9
127.03860	1.9
131.08514	2.8
133.10078	100.0
135.11633	65.9
137.09557	26.2
145.10092	1.6
147.11665	5.3
149.13165	2.4
151.11137	6.3
151.14778	5.5
164.04213	1.3
164.85619	1.2
165.16252	1.5
175.14737	57.1
175.16174	2.3
177.16391	2.2
184.85403	1.1
193.15808	39.9
211.16876	12.9
222.25589	1.2
271.42270	1.3
355.17123	2.8
373.18173	27.1
393.53549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.3
55.01844	1.3
55.05494	14.9
56.15533	0.8
57.03403	1.8
57.07045	2.3
59.04979	1.1
61.02909	1.4
64.28609	1.0
66.87659	1.1
67.05482	21.8
69.03401	10.4
69.07047	18.5
71.04983	2.0
73.02854	1.2
79.05438	8.5
81.03388	1.9
81.07031	19.3
83.04953	6.9
83.08597	7.0
85.02877	20.4
85.06511	4.9
91.05438	7.3
93.07007	21.1
95.04951	2.5
95.08578	37.7
97.02870	5.4
97.10130	1.6
99.08061	32.2
102.64970	1.3
105.07006	17.3
107.08558	36.7
109.02820	1.4
109.06498	7.0
109.10117	75.3
111.08041	2.1
113.09568	1.2
119.08537	44.7
121.10121	18.3
123.08052	11.5
123.11694	7.5
125.22546	1.2
127.03870	1.7
131.08473	1.5
133.10091	100.0
135.11649	63.5
137.09581	25.1
145.10117	1.9
147.11632	2.9
149.13200	4.2
151.11139	2.8
151.14754	7.1
175.14761	61.9
177.16357	2.3
193.15817	51.4
211.16885	11.2
246.70526	1.2
373.18201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.52983	0.6
54.81280	0.5
55.01846	0.8
55.05498	10.7
57.03428	5.1
57.07049	2.8
59.04986	0.9
61.02902	3.6
67.05482	13.9
69.03078	0.6
69.03402	8.7
69.06690	0.5
69.07046	13.6
71.04964	4.4
71.08601	0.8
76.16920	0.5
79.05453	3.5
81.03384	3.1
81.07029	16.8
82.64255	0.5
83.04947	7.2
83.08577	5.8
85.02879	29.6
85.06504	3.9
91.05437	3.8
93.07010	12.9
95.04913	2.1
95.08572	32.3
97.02840	6.2
97.06504	5.3
97.10138	3.1
99.04421	0.6
99.08042	3.3
105.06994	6.9
107.08554	20.5
109.02861	3.6
109.06480	8.3
109.10123	64.0
111.08045	23.5
115.03873	0.6
119.08540	30.6
121.06486	0.6
121.10104	17.7
123.08025	26.8
123.11668	12.6
125.09583	2.9
127.03874	3.0
127.11162	0.8
133.09082	0.9
133.10086	28.4
133.37645	0.5
135.11649	38.8
137.09570	57.3
137.13187	2.5
138.10345	4.5
139.11133	3.0
145.04991	0.9
145.10107	0.9
147.11656	6.7
148.11955	0.6
149.13214	10.4
151.11134	5.4
151.14790	7.8
165.12694	7.1
165.16318	2.7
167.06979	0.9
167.10719	0.5
175.14763	39.6
178.13474	0.7
191.14267	1.1
193.15837	29.2
211.16861	100.0
233.05527	0.5
244.32187	0.5
257.49112	0.5
275.50507	0.6
335.55469	0.5
379.05228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1825
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
63.32124	0.4
65.03574	0.4
69.03398	0.6
76.54984	0.4
89.97179	0.4
105.06900	0.6
105.33945	0.5
119.21136	0.5
133.10054	0.6
143.00557	0.4
145.02867	0.8
157.16263	0.5
163.03828	0.7
164.04160	0.5
177.05417	0.7
211.13129	0.9
245.34825	0.5
373.18207	100.0
374.18469	0.6
392.64902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.6
57.07051	2.2
63.64943	1.3
67.05475	14.0
69.03398	8.8
69.07049	12.6
71.04955	6.3
75.77462	1.3
79.05445	8.5
80.39942	1.2
81.03378	2.4
81.07028	25.4
83.04942	9.9
83.08590	9.4
85.02869	14.4
85.06501	2.7
91.05442	2.7
92.08588	1.5
93.07001	13.1
95.04935	1.8
95.08574	36.0
97.02863	1.9
97.06502	3.1
99.08078	1.8
105.06967	3.1
107.08557	26.2
109.06461	12.4
109.10125	100.0
111.08007	1.9
114.59760	1.2
119.08549	27.1
121.10094	16.9
123.08025	14.0
123.11652	8.0
127.03864	2.4
133.10080	27.0
135.11646	92.8
137.05927	2.2
137.09586	20.3
149.13229	6.4
151.03874	1.7
151.11166	9.5
151.14748	8.3
153.12639	1.5
164.17432	1.4
165.16379	1.7
175.14787	32.3
177.06877	1.5
193.15848	42.3
206.20520	1.5
211.16878	42.3
337.63077	1.4
373.13922	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2211
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.71318	0.7
55.05492	7.1
55.59719	0.8
57.03426	1.3
57.07053	2.3
59.04976	1.6
67.05484	16.8
69.03409	9.6
69.07040	13.7
71.04958	2.0
72.26795	0.9
79.05467	2.1
81.03405	1.2
81.07021	18.6
81.38005	0.9
83.04948	9.9
83.08580	6.8
85.02866	9.9
85.06530	2.1
91.05455	1.2
93.07026	7.6
95.04934	1.3
95.08573	30.6
97.02830	0.9
97.10150	1.0
99.08063	1.4
104.38994	1.0
105.06995	4.7
107.08564	22.4
109.06507	9.0
109.10124	100.0
111.08063	1.4
119.08537	28.3
121.10122	10.7
123.08010	14.5
123.11684	9.6
133.10081	21.2
135.11650	79.9
137.09581	15.9
139.11072	1.0
147.11685	1.2
149.13228	5.2
151.11133	12.3
151.14774	9.4
153.12732	1.7
158.71422	0.9
165.16383	1.7
175.14775	27.0
178.07074	1.1
193.15822	36.8
206.92920	1.0
211.16856	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	373.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22128	0.5
56.80355	0.6
59.04973	1.4
63.77960	0.6
66.17759	0.6
69.03385	0.6
71.04985	0.7
81.07042	0.7
93.07005	0.7
93.78770	0.6
95.04929	1.3
105.03349	1.1
107.88797	0.7
121.10104	0.8
129.39461	0.7
153.01743	1.2
162.73877	0.7
163.03833	1.2
164.04321	0.8
186.97737	0.7
193.11923	5.5
195.13524	1.3
201.03670	5.5
203.03381	1.0
203.05202	17.6
211.49837	0.5
217.00934	0.6
308.78033	0.8
310.83817	0.7
373.18179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	2.4
62.12198	0.5
67.05458	0.5
69.03410	0.6
71.04958	0.6
79.05434	0.7
85.02882	1.0
93.06999	0.8
95.04956	1.1
97.02843	0.8
99.21518	0.8
103.03910	2.7
105.03343	2.9
107.08532	0.8
133.10083	0.6
153.01788	1.2
163.03841	3.1
164.04268	0.6
179.06987	0.7
193.11981	5.2
193.14023	0.5
195.13547	3.6
201.03662	3.9
203.05215	15.2
204.50284	0.7
211.15115	0.7
227.79376	0.6
373.18176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69318	2.5
53.03930	4.3
53.88758	2.5
55.01857	4.1
55.05497	35.4
57.03409	4.7
57.07057	5.6
67.05484	64.9
67.49199	2.5
69.07043	46.2
71.04971	37.8
71.77345	2.5
75.04451	4.3
79.05466	38.5
81.07030	97.5
83.04954	5.3
83.08604	13.6
85.06521	4.5
91.05444	53.3
93.07009	81.1
95.04912	21.1
95.08566	79.9
97.06474	17.6
97.10169	2.9
105.06989	100.0
107.08560	78.8
109.06499	12.2
109.10114	79.4
111.08028	5.4
117.06993	6.4
119.08539	62.0
119.41747	3.1
121.10098	31.2
122.36352	3.3
123.08031	6.3
123.11655	14.1
125.09586	3.1
129.06920	3.4
131.08533	17.5
133.10085	43.6
135.11621	33.2
137.09598	4.7
143.08473	5.5
144.09232	3.3
144.72252	2.8
145.10066	24.1
147.04373	15.0
147.11671	31.2
156.09373	3.4
157.10089	11.2
159.11650	16.9
161.13184	28.1
163.03860	11.9
164.31837	3.0
171.11551	4.2
173.13240	3.7
175.14772	12.1
192.53580	3.1
194.02034	3.3
213.16393	3.7
217.19461	12.6
278.28705	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	373.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17510	0.8
51.29571	0.8
51.36506	0.8
53.03928	1.9
55.05489	6.1
57.03399	1.0
65.03923	7.8
65.74394	0.9
66.70238	0.8
67.05477	14.3
68.99747	0.9
69.03034	1.5
69.03407	40.0
79.05479	6.4
83.04955	56.1
85.02874	14.3
87.00795	2.2
89.03903	1.6
91.05431	4.2
93.03368	20.1
95.04935	63.0
97.02860	6.6
98.97569	1.3
101.05984	2.0
105.04464	1.3
107.04925	32.3
111.04414	100.0
115.03881	3.5
117.03296	1.5
119.04910	4.5
121.02836	8.3
123.04370	3.4
129.05437	54.0
135.04372	58.8
136.06172	7.1
137.02242	1.6
137.05847	2.1
139.03859	56.1
147.04401	16.5
147.06482	34.7
153.05420	15.9
157.04935	22.2
157.25267	1.0
163.03833	14.1
175.05934	4.4
181.04900	10.9
193.07034	32.9
203.03297	0.9
209.04373	1.4
222.32469	1.0
227.06972	1.2
234.99496	1.1
319.08133	1.9
337.09076	1.8
355.10080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
53.88383	0.6
55.01841	1.1
57.03420	35.0
57.03704	1.1
59.04963	1.7
61.02905	14.2
66.04566	0.7
68.76921	0.7
69.03401	40.1
71.01314	3.3
71.04962	2.6
73.02886	58.4
81.03398	6.2
83.04945	0.9
85.02874	100.0
87.04444	9.7
89.03893	1.1
89.05981	1.7
91.03922	4.8
92.09301	1.3
97.02850	44.0
99.04408	4.3
103.03902	1.0
106.21591	0.6
107.04906	0.8
109.02848	9.3
115.03888	22.5
117.03349	3.1
127.03870	20.8
129.41856	0.7
133.04922	11.8
135.04355	12.0
145.02829	8.5
145.04916	30.3
145.38992	0.8
147.04565	0.7
147.97093	0.7
150.07555	1.3
163.03844	58.7
163.05904	14.8
164.93118	0.7
167.39163	0.8
173.08121	0.7
215.25034	0.8
223.05957	1.8
223.11633	6.9
241.07053	1.1
259.08121	3.4
295.10129	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
65.53288	0.2
66.12598	0.2
67.05485	0.4
79.05453	0.5
83.04945	1.2
85.02882	0.3
89.03878	4.8
93.03357	0.3
95.04888	0.4
107.04906	1.5
111.04426	0.5
114.28876	0.2
117.03342	7.7
135.04376	20.5
139.03838	0.2
145.02808	16.1
163.03851	100.0
164.04143	0.2
226.86507	0.2
355.10284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31796	0.1
54.81181	0.1
55.05476	0.2
56.50840	0.1
63.02341	0.3
65.03911	0.1
67.05465	0.2
69.03380	0.2
72.88186	0.1
75.32452	0.1
79.05448	1.0
81.66320	0.1
83.04948	0.6
85.02867	0.2
87.12587	0.1
89.03884	5.0
92.09348	0.3
95.04930	0.9
107.04905	2.1
111.04395	0.7
117.03335	9.9
129.05441	0.2
129.82889	0.1
131.33624	0.1
135.04367	24.0
136.04665	0.1
141.79366	0.1
145.02803	16.7
152.04149	0.1
154.65108	0.1
158.04561	0.1
163.03842	100.0
164.04207	0.8
168.91849	0.2
179.03300	0.2
180.06390	0.1
190.47456	0.1
193.06966	0.3
210.14784	0.1
264.78073	0.2
355.10352	0.2
381.17999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56732	1.5
53.03923	2.3
54.25684	1.5
54.80827	1.6
55.05499	32.7
57.03415	4.0
57.07062	7.3
57.62426	1.7
65.72337	1.6
67.05482	90.2
68.00963	1.8
69.07048	21.2
71.04968	3.9
79.05470	36.0
81.07025	100.0
81.61653	1.8
83.04939	2.9
83.08607	11.7
85.06511	7.0
91.05441	17.1
92.09377	3.6
93.06998	39.5
95.04905	3.0
95.08576	91.5
96.26753	1.9
97.06475	2.7
97.10135	2.8
98.82022	1.8
99.40012	1.7
103.86787	1.7
105.07001	18.7
107.08544	26.4
109.10121	25.7
117.06988	2.6
118.96134	1.8
119.08535	15.7
121.10114	19.7
123.11680	11.1
131.08527	10.8
133.10086	15.4
135.11661	12.3
137.13205	2.7
145.10112	9.1
147.11700	3.4
149.13214	4.4
159.11665	2.7
161.13211	7.2
163.14757	2.3
165.12718	2.3
175.14926	2.0
189.16325	2.2
243.20949	2.3
261.22064	10.8
268.26282	34.7
325.28741	3.4
353.26700	36.6
371.29196	2.2
373.08099	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
54.19385	0.6
55.01852	5.6
55.05488	3.1
55.23078	0.6
57.03407	3.9
57.07055	3.0
59.04976	11.0
60.05312	0.9
61.02902	1.0
64.58178	0.5
64.97201	0.6
67.05490	3.2
69.03397	1.6
69.07040	27.4
71.04970	9.1
79.05468	7.0
81.07020	4.5
83.04941	4.7
83.08578	1.3
85.02863	6.4
85.06511	1.1
91.05446	7.7
92.08669	0.6
93.07006	24.5
95.04922	3.6
95.08558	9.4
97.02848	1.0
97.06490	6.0
99.04379	1.3
102.34338	0.6
103.05466	1.0
105.06985	9.9
107.04931	4.9
107.07939	1.1
107.08561	22.5
109.06485	2.9
109.10128	4.2
109.69010	0.7
111.08065	0.9
114.86811	0.7
115.05418	0.7
115.07533	1.0
117.06976	3.0
119.04916	0.7
119.08546	7.1
120.94772	0.6
121.06456	25.4
121.07335	1.0
121.10093	18.3
123.04388	1.6
123.08010	5.6
124.05168	1.2
127.03872	0.8
127.11101	1.0
128.06177	0.9
129.06975	3.6
131.04823	1.1
131.08513	7.6
133.06448	1.5
133.10080	13.8
135.05330	0.7
135.08002	14.9
135.11653	5.8
137.05920	2.4
137.09581	3.3
139.11154	3.5
141.06978	0.6
143.08549	0.8
144.05730	0.7
145.06461	0.7
145.10063	5.0
147.07976	0.9
147.11641	50.9
149.09581	7.8
149.13232	11.9
151.11119	1.2
152.04654	0.7
156.05643	1.2
158.10880	3.0
159.08011	3.2
161.05949	1.5
161.09547	8.1
163.03870	0.7
163.11131	1.3
163.14708	1.6
167.06984	15.4
168.05710	0.8
172.05096	0.9
173.13193	15.1
175.07547	3.0
176.11920	2.7
187.07523	3.8
191.07039	0.8
191.14236	100.0
192.14667	0.7
192.16725	1.3
203.08537	0.8
205.06429	1.0
206.07190	0.9
209.15298	28.4
214.26932	0.7
217.08423	2.6
218.07195	1.4
219.08005	1.0
221.09573	1.2
233.09592	0.7
234.06583	1.1
235.07561	1.6
249.08943	3.0
261.08917	1.2
272.73550	0.7
281.11594	1.2
285.07330	1.0
309.11234	1.2
321.11011	1.2
341.13654	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	371.2056
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03926	1.3
54.80291	0.2
55.01854	5.2
55.05486	2.4
57.03415	2.7
57.07051	1.0
59.04964	0.5
61.02903	2.7
67.05474	2.1
68.41960	0.2
69.03405	10.0
69.07040	25.5
71.04957	2.6
73.02879	1.5
73.73475	0.3
74.90630	0.2
77.03889	0.3
79.05453	3.4
81.03384	3.7
81.07014	4.1
83.04949	3.3
83.08598	1.0
85.02872	15.7
85.06493	0.3
87.04430	1.1
91.03884	1.0
91.05434	8.2
93.07003	25.3
95.04908	2.3
95.08575	5.2
97.02850	7.7
97.06496	3.0
99.04410	1.3
105.04450	0.3
105.06986	6.1
107.04865	0.3
107.08553	20.3
109.02830	1.7
109.06487	2.0
109.10104	3.0
111.08027	1.0
114.43394	0.3
115.05371	0.4
115.79078	0.2
116.06183	0.3
117.06971	1.6
119.06042	0.3
119.08539	5.4
121.06457	26.8
121.10090	15.9
121.10984	0.5
123.04401	0.2
123.08019	3.5
123.11656	1.2
127.03860	2.1
129.06970	0.4
131.08521	7.5
133.06413	0.2
133.10075	12.6
135.07999	11.5
135.11633	6.2
137.05984	0.4
137.09564	1.6
137.51451	0.2
139.11087	0.4
143.08528	1.5
144.09291	1.0
145.04926	0.9
145.10078	4.1
147.11636	52.7
149.09554	7.7
149.13202	11.5
151.03767	0.2
151.11125	1.1
155.15517	0.3
155.96989	0.2
158.10852	3.2
161.09544	9.6
163.11124	1.4
163.14757	2.1
173.13193	11.0
176.11923	2.6
191.14236	100.0
192.14651	0.3
197.09891	0.3
209.15254	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
53.18885	0.2
54.81133	0.2
55.01871	0.2
55.05492	2.0
57.03425	0.2
57.07066	0.5
61.02936	0.3
65.03913	0.3
67.05470	2.5
69.03404	5.8
69.03760	0.3
69.07048	3.3
69.07373	0.3
71.04989	0.4
76.55264	0.2
79.05463	4.5
81.03403	0.5
81.07020	9.4
83.04950	0.5
83.08599	1.2
85.02867	3.3
91.05437	4.9
93.06999	2.8
95.04909	0.3
95.08017	0.2
95.08547	1.6
97.02889	1.1
97.06518	0.2
105.06986	6.8
105.07666	0.3
107.04920	1.7
107.08555	19.9
109.02832	0.4
109.06477	7.2
109.10110	7.5
115.05423	1.6
117.06986	2.7
119.08534	3.3
121.06451	0.9
121.10092	13.4
122.07229	5.3
123.07999	1.6
123.11700	0.2
131.08514	2.3
133.10077	100.0
134.10414	0.4
135.08003	13.1
135.11652	1.0
136.51611	0.2
137.09563	63.3
138.09964	0.4
143.08519	0.3
145.10049	1.0
147.11633	1.5
149.09569	0.4
149.13200	12.4
151.11093	0.3
158.10817	1.5
163.14716	2.1
167.60620	0.2
173.13188	5.0
191.14230	22.0
209.15320	4.8
245.10492	0.3
340.50699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35826	0.3
53.00280	0.3
53.03921	1.4
55.01843	0.8
55.05491	2.9
57.03410	1.5
57.07050	2.3
59.04968	2.1
61.02901	1.9
64.31969	0.3
65.03910	0.5
67.05480	4.7
69.03399	6.6
69.07038	6.9
71.04958	4.2
73.02890	0.8
77.03897	0.3
79.05455	5.3
80.46936	0.3
81.03386	3.0
81.07014	4.5
81.93599	0.4
83.04951	3.6
83.08580	2.1
85.02874	12.5
85.06509	3.5
86.03208	0.6
87.04429	1.5
91.03899	0.7
91.05440	4.7
93.03328	0.4
93.07004	23.2
94.03710	0.5
95.04926	100.0
95.08571	4.1
96.05263	0.6
97.02854	4.8
97.06472	0.5
98.03214	0.4
99.04414	15.7
103.03920	0.4
105.03316	0.4
105.06990	7.0
107.04912	1.9
107.08556	21.4
108.05246	0.7
109.02831	1.8
109.06490	2.0
109.10109	3.1
109.99187	0.3
111.04426	2.0
111.08052	1.6
112.04760	0.4
113.05980	0.7
115.03876	2.2
115.07519	1.4
116.04237	0.6
119.08534	4.9
121.02803	0.3
121.10096	54.6
123.04359	0.4
123.08009	1.9
124.04707	0.3
125.09567	0.4
127.03871	2.0
129.05484	0.6
131.08504	1.6
133.02803	4.0
133.10077	5.5
134.03148	1.9
135.08060	0.6
135.11600	3.4
137.06006	0.4
137.09573	0.5
137.93347	0.3
139.03842	0.7
143.08542	0.3
145.04932	0.7
145.10115	1.6
147.04326	0.5
147.11603	0.5
149.09575	1.3
149.13206	0.4
151.03847	1.8
151.11137	1.4
152.04179	1.5
153.09052	17.1
159.08075	0.6
161.02275	0.7
162.02661	1.2
163.03871	0.6
163.14752	10.9
167.14357	0.5
173.13188	4.3
179.03337	5.0
180.03624	4.4
191.14232	7.3
193.15878	0.6
209.15292	25.1
233.15331	0.5
278.09534	0.4
299.16177	0.5
371.16666	5.6
371.20737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84705	0.5
53.95814	0.5
55.05486	2.8
57.03415	0.7
61.02913	0.5
67.01869	0.5
67.05502	0.6
68.93240	0.6
69.03397	2.8
69.07042	3.3
71.04955	1.0
79.05469	0.9
81.07038	1.3
83.04958	0.6
83.08598	0.8
85.02879	7.5
91.05443	2.6
93.07000	6.0
95.04933	5.6
95.08583	2.5
97.02854	2.8
99.04424	0.8
100.11240	1.0
105.06994	4.1
107.08549	4.7
109.10137	0.6
116.80583	0.5
119.08564	0.8
121.06458	2.3
121.10080	5.9
123.08011	0.8
131.08517	3.4
133.10081	17.8
135.08034	1.1
137.09573	3.1
143.08397	0.7
145.10109	1.3
147.11655	5.1
149.09576	100.0
150.10010	0.8
153.09030	0.8
158.10872	0.8
163.14708	0.9
173.13194	5.2
180.25215	0.6
185.04128	1.4
191.14246	10.2
209.11414	11.7
209.15283	10.8
305.24802	0.6
371.16644	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2054
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.44281	0.3
53.03943	0.5
54.81303	0.3
55.01856	0.7
55.05487	2.3
57.03424	0.6
57.07057	0.7
61.02907	0.6
65.03930	0.4
67.05471	2.4
69.03403	6.6
69.07039	2.5
71.04974	0.5
79.05449	5.1
81.03394	1.3
81.07024	7.3
81.49977	0.3
82.38436	0.3
83.04948	0.4
83.08613	1.0
85.02879	4.5
91.03879	0.3
91.05435	4.9
93.06992	4.4
95.04945	1.3
95.08557	2.2
97.02863	1.2
97.06499	0.5
105.06996	6.3
107.04908	1.7
107.08555	19.2
109.06484	6.6
109.10118	5.9
115.05396	2.1
117.06980	3.0
119.08518	2.9
121.06474	0.7
121.10094	14.9
122.07251	5.2
123.08015	1.7
123.11634	0.3
127.03872	0.5
129.06946	0.4
131.08521	3.1
133.10081	100.0
134.10406	0.7
135.08005	13.6
135.11613	1.3
137.09563	61.7
143.08582	0.5
145.10025	1.2
147.11591	2.2
149.09660	2.0
149.13196	11.8
151.11130	1.3
158.10852	1.9
163.14778	2.0
165.12717	2.9
167.06998	0.4
173.13190	4.6
191.14233	22.7
209.13544	0.4
209.15320	8.4
216.82687	0.3
312.15601	0.3
371.16345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.81067	0.5
55.01854	0.5
55.05495	4.3
56.33379	0.4
57.03408	2.6
57.07052	2.5
59.04978	2.6
61.02899	1.9
65.03903	0.7
67.05476	4.6
69.03403	6.7
69.06725	0.6
69.07045	9.9
71.04966	5.8
73.02886	0.7
76.64004	0.5
79.05472	5.6
81.03382	2.2
81.07030	4.1
83.04974	2.9
83.08588	3.1
85.02876	11.8
85.06524	3.6
87.04456	0.8
90.21668	0.5
91.05463	5.9
93.07011	30.2
95.04933	100.0
95.08569	3.8
95.45073	0.5
97.02837	4.6
97.06514	0.6
97.10186	0.5
99.04417	16.4
101.04089	0.5
103.03957	0.5
105.03334	0.8
105.06984	7.4
107.04946	2.3
107.08559	25.4
108.05250	0.5
109.02843	1.0
109.06495	1.0
109.10130	3.0
109.63176	0.4
111.04398	2.9
111.08039	1.0
113.05984	0.9
115.03885	1.1
115.07539	2.0
119.08534	5.7
121.10101	68.4
123.07998	0.8
124.04681	0.5
127.03900	2.6
131.08519	2.0
133.02815	2.4
133.07495	0.5
133.10100	6.6
134.03117	2.0
135.08040	1.0
135.11626	4.8
139.03882	0.6
145.10098	2.2
147.04428	0.6
147.11655	0.6
149.13174	0.9
151.03850	0.5
153.09067	16.2
157.04871	0.5
161.42946	0.5
162.02655	0.9
163.14761	12.5
167.14244	0.6
169.10141	0.6
173.13200	5.4
175.14767	0.7
179.03374	4.6
180.03651	5.6
191.14243	8.7
209.15300	24.9
241.87766	0.5
312.59555	0.5
371.16721	5.8
371.20633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.7
59.47159	0.8
67.05495	1.0
69.03403	1.7
69.07028	2.0
71.04945	1.2
79.05467	1.8
81.03423	0.9
81.06994	2.0
85.02863	5.4
91.05451	1.3
93.07000	4.5
94.29546	0.9
95.04931	5.6
95.08569	4.7
97.06505	2.3
100.11244	5.5
105.06967	7.7
107.08555	2.2
112.49852	1.1
117.06985	1.7
119.08506	1.8
121.10134	1.7
123.08033	1.4
131.08525	4.8
133.10092	29.4
145.10085	2.3
147.11638	2.4
149.09555	10.0
156.84444	1.1
158.10873	1.3
167.06967	1.6
173.13234	10.3
185.04134	11.8
191.10408	8.5
191.14250	9.0
198.41745	1.3
203.05148	1.3
209.11417	45.3
209.15289	1.6
215.71364	1.0
335.74280	1.1
371.16644	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.8
55.05494	4.8
61.02922	0.8
67.05482	3.3
68.24135	0.7
69.03404	4.2
69.07042	5.5
71.04963	1.6
79.05457	6.8
81.03383	1.5
81.07021	8.7
83.04950	1.9
85.02883	6.4
91.05449	5.4
93.07009	7.3
95.04953	1.7
97.02884	1.1
105.06999	11.7
107.04932	1.1
107.08559	29.7
109.06479	5.6
109.10141	6.2
114.35275	0.9
115.05439	1.8
117.06977	3.8
119.08528	7.1
121.06470	3.9
121.10104	17.0
122.07279	5.7
123.08019	3.4
131.08536	9.4
133.10088	100.0
135.08032	15.6
135.11641	2.9
137.05984	1.0
137.09570	69.4
143.08522	0.8
145.10088	4.0
147.04404	1.1
147.11646	26.5
149.09583	9.0
149.13220	20.2
158.10936	1.3
163.11145	0.8
163.14793	1.1
167.07103	1.2
173.13211	14.8
176.11967	2.8
191.14253	81.1
209.15298	39.4
228.46120	0.8
277.08496	0.8
371.14606	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1668
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
50.55457	0.3
61.96964	0.4
67.05469	0.4
69.03394	0.6
71.04905	0.3
74.29485	0.4
79.05442	0.5
81.03379	0.9
81.07037	0.8
83.04940	0.7
85.02872	2.2
85.06493	0.5
89.25761	0.4
91.05431	1.0
93.07017	1.9
95.04916	0.7
95.08559	1.9
97.06476	0.8
98.87797	0.4
99.81675	0.4
105.06971	1.6
107.08567	1.7
107.54805	0.4
119.04871	0.7
119.08574	1.4
121.06534	0.4
121.10065	0.8
121.94598	0.5
131.08542	0.9
133.10069	5.8
147.04379	1.9
149.09586	0.8
151.11160	0.8
158.10938	0.5
173.13223	1.9
191.14326	1.8
203.05190	0.4
209.11482	3.2
209.15334	0.8
218.05156	0.5
255.40610	0.4
284.47372	0.4
288.69580	0.4
289.46207	0.4
365.93484	0.4
371.16623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.7
53.03923	3.1
55.01841	2.6
56.96553	6.3
57.03152	0.9
57.03418	22.5
59.04979	10.9
61.02898	12.8
67.05470	1.3
68.99754	4.9
69.03028	1.1
69.03406	32.7
71.01319	3.0
71.04956	2.7
73.02886	38.5
73.03303	1.5
73.69043	0.6
81.03395	7.8
83.04948	5.5
83.74422	0.6
84.95992	0.8
85.02876	85.8
87.04429	10.3
89.03863	4.0
91.03908	4.4
93.03357	1.3
94.06528	3.4
95.04932	1.2
97.02855	42.2
98.97553	13.1
99.04410	4.9
101.05996	0.8
103.03895	1.0
105.05489	0.8
107.04906	1.5
109.02862	8.8
110.97560	2.5
111.04430	5.9
115.03887	14.6
116.98584	11.0
117.03335	4.1
119.04900	1.1
121.02804	0.7
121.06467	10.9
121.47283	0.6
122.05990	1.2
122.06793	2.5
123.04366	1.7
127.03868	19.8
128.98557	4.3
129.05354	0.7
132.07974	0.6
133.04909	5.7
134.99614	6.1
135.04341	7.4
136.06142	12.7
137.02299	100.0
137.03351	3.7
139.03853	3.7
143.00116	1.1
145.02808	4.5
145.04915	27.0
146.06003	1.4
146.99583	5.6
147.04369	3.3
147.09142	0.7
149.01160	0.9
150.04318	1.0
150.05464	22.3
151.03848	4.5
155.06929	0.9
158.99577	0.9
161.01184	2.0
163.03847	26.1
163.05916	9.4
164.04164	1.5
165.00720	0.8
170.99574	1.7
173.01122	0.7
177.00656	1.6
179.03395	5.4
189.00645	1.4
192.06516	0.9
197.04373	8.8
209.09111	3.0
217.07095	1.0
219.01656	3.6
225.00557	1.2
237.02724	11.4
239.04312	4.2
239.11235	4.9
255.03627	0.9
295.09827	0.8
371.06018	2.6
387.06009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	3.7
69.03393	17.5
71.03484	2.6
71.04968	4.1
78.04675	3.6
79.05460	26.0
81.07014	6.5
91.05445	21.8
94.04168	3.2
95.04931	3.2
103.05447	3.2
104.37444	2.9
105.06999	18.1
107.04931	34.2
107.08479	4.2
109.06461	4.6
115.05412	5.8
121.06466	2.8
122.03580	11.3
123.04388	11.7
124.05188	5.5
128.06160	16.7
129.06946	22.0
131.04947	4.1
131.08516	18.9
133.06557	4.3
133.10040	3.4
135.04393	3.3
137.05933	100.0
141.06947	6.1
144.05649	19.0
145.06464	5.0
146.33040	2.9
147.08073	3.4
149.05980	3.2
156.05647	46.1
157.06432	13.5
159.07991	33.4
160.05127	3.1
161.05902	10.7
167.06969	98.3
169.06432	3.9
172.05119	13.6
174.06644	6.4
175.07474	14.8
177.05417	4.8
179.08345	3.0
184.05144	5.7
187.07465	39.4
189.06973	6.5
189.09090	6.9
190.07718	11.0
191.08630	3.8
191.14220	3.1
193.10048	5.5
199.07487	3.1
202.06158	11.4
202.07768	6.0
203.08501	18.2
204.09447	4.0
205.06432	6.1
205.10179	3.6
206.07202	16.6
207.08017	6.1
210.06743	3.4
211.07535	7.0
215.08485	11.6
217.06548	7.1
217.08476	55.9
218.07112	20.6
219.07994	11.8
219.10040	4.8
220.08772	3.6
221.09526	16.5
223.07408	5.0
226.06177	4.9
231.07939	15.5
232.08821	3.8
233.05971	4.6
233.09543	18.0
234.06665	24.1
235.07468	28.1
237.09023	5.1
238.09821	4.3
239.06956	37.4
241.08498	12.5
246.06566	6.1
247.07382	12.8
247.09584	20.0
248.08247	4.9
249.09006	33.8
250.09541	3.8
251.06955	16.5
251.10721	3.3
252.07722	11.8
257.08041	12.1
260.08167	5.2
261.09018	32.3
262.06122	4.8
263.06903	18.0
265.08578	6.8
265.11911	3.2
266.09192	5.7
269.08035	3.7
271.06024	6.2
275.07031	4.0
275.10529	4.3
277.08481	26.4
278.09171	18.2
279.06522	5.1
281.11505	17.4
283.09558	4.7
285.07471	68.2
289.08508	5.4
291.09689	3.6
293.11618	13.7
295.09409	6.3
300.09821	46.2
301.10690	4.5
306.08783	7.2
307.09595	6.2
309.11081	28.0
311.09161	4.4
313.10608	4.5
321.11047	21.3
322.11649	3.6
323.09003	6.7
326.11322	20.3
339.12250	3.9
341.13416	24.5
353.13727	39.5
371.14609	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0389
Annotation	DIOXINODEHYDROECKOL
Peak:m/z	Relative Intensity
67.05473	0.6
69.07027	0.5
79.05442	0.5
81.07014	0.9
91.05464	0.6
93.07002	0.7
95.08557	0.7
105.07015	0.9
107.08576	0.5
113.43687	0.5
119.08547	0.6
133.10085	0.8
160.70058	0.4
171.04401	4.1
185.02296	0.4
187.03871	2.5
190.02596	2.0
191.07034	0.4
199.03833	2.3
202.02579	0.9
203.03270	0.5
215.03317	0.5
227.03314	12.3
233.11766	0.9
242.02028	10.6
243.02899	1.6
255.02831	5.7
256.03519	0.5
267.02829	0.9
273.03830	2.6
283.02328	8.8
311.01752	100.0
312.01920	0.6
317.44611	0.5
329.02802	5.0
336.03864	0.4
371.03873	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	371.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01861	2.0
57.03415	4.1
57.07052	0.8
59.04987	0.8
61.02906	4.9
69.03402	15.7
70.03743	1.0
71.04967	2.4
73.02889	4.7
79.05468	2.7
81.03391	9.2
81.07007	0.5
82.03722	1.1
83.26763	0.4
85.02872	44.2
85.06479	0.6
86.03199	5.8
87.04430	16.3
88.04768	2.6
89.03881	5.7
91.03927	0.7
95.01266	1.0
95.04940	2.7
97.02852	13.0
98.03179	2.3
99.04400	3.5
103.03886	0.7
105.03330	0.6
105.06994	0.8
107.04917	5.4
107.08555	0.6
109.02841	6.4
109.10130	1.0
111.04403	2.3
113.09638	0.4
115.03883	39.9
116.04217	7.2
117.03345	8.9
119.04884	0.6
121.02792	2.1
123.04368	4.2
127.03869	15.7
128.04156	3.3
131.04903	1.0
133.02811	0.6
133.04915	10.3
134.05252	2.5
135.03375	1.0
135.04369	23.2
135.05403	0.8
137.02312	2.2
138.03073	2.2
139.03862	5.5
145.01715	0.8
145.02809	15.8
145.04901	12.6
145.06189	0.5
145.06523	0.4
146.05252	2.0
147.04359	9.1
148.06125	0.7
149.02277	3.5
153.05415	93.8
157.04890	0.6
159.04393	2.0
161.05914	0.9
163.03838	100.0
163.06035	2.7
164.06219	0.5
165.05380	0.6
167.06956	0.7
175.03828	1.0
177.01732	2.9
177.03963	0.7
177.05354	2.2
179.03262	0.6
181.04909	2.2
187.03816	2.7
189.05331	2.2
191.03308	1.9
195.06474	13.1
201.05357	0.6
203.03334	30.7
205.04855	4.0
213.05376	1.7
215.03319	6.5
217.04764	0.5
229.04849	0.9
231.02800	4.2
233.04321	2.1
243.02962	0.6
259.07947	2.9
260.08469	1.0
261.03882	4.4
275.05344	2.2
277.09070	6.1
278.09460	3.7
279.04886	7.2
291.05002	4.1
321.05875	2.4
339.06976	7.8
371.12311	0.6
371.16595	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	370.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.5
53.03922	0.7
54.42558	0.5
55.05488	0.8
57.03418	0.7
57.82978	0.5
61.02905	0.8
63.43402	0.6
65.03909	1.3
67.05485	5.8
68.52386	0.5
69.03408	4.6
71.04960	2.3
77.03889	1.0
77.61862	0.5
79.05463	3.8
81.03379	1.5
81.07027	38.4
83.04954	6.6
85.02871	10.5
85.06514	51.8
91.05445	2.7
92.09330	0.6
93.03376	2.6
93.07018	11.1
95.04934	8.5
97.02850	3.7
99.08079	0.7
105.03334	2.8
107.04922	1.0
109.02879	1.0
109.06483	62.9
111.04411	8.6
111.08019	3.3
113.05966	8.9
116.37929	0.6
119.04902	3.3
121.02804	1.0
127.03854	1.2
127.07510	97.0
129.05403	2.9
133.02805	8.2
137.02301	6.1
137.05931	56.6
139.03879	2.2
145.04877	0.8
145.08560	1.0
151.03838	2.4
151.68951	0.6
152.45572	0.6
155.06985	45.8
157.04941	0.9
161.02315	1.0
171.90649	0.6
173.08032	100.0
173.24567	0.5
179.03351	6.5
191.09068	22.2
192.88931	0.6
212.98392	1.0
237.02776	0.8
297.81516	0.6
335.07709	2.7
370.03711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89684	0.5
53.03926	2.8
54.80882	0.5
55.01853	2.9
55.26881	0.5
57.03418	8.0
57.07057	1.0
59.04980	1.4
61.02900	10.0
67.05486	0.7
69.03406	33.7
71.04961	3.1
73.02892	9.2
73.68505	0.5
75.98071	0.5
81.03387	16.7
83.04947	0.8
85.02876	98.3
85.06544	1.1
86.03232	1.0
87.04436	36.8
87.38159	0.5
88.33129	0.5
91.03928	5.5
97.02853	25.9
99.04410	6.4
101.02327	2.1
103.03902	2.6
104.07814	0.7
105.03397	0.5
106.35512	0.6
109.02842	12.4
109.10108	1.3
111.04414	0.8
115.03891	100.0
127.03870	36.9
133.02802	2.6
133.04913	22.2
135.04396	1.4
145.02832	0.8
145.04918	29.7
147.04395	2.4
148.06177	1.0
153.05394	6.1
155.10736	0.7
157.04973	0.8
159.10069	1.0
163.03833	8.6
163.05934	6.3
170.74338	0.6
171.80751	0.5
179.03317	2.4
203.03413	1.4
241.06856	0.8
259.08060	7.5
277.09076	25.8
317.12173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42121	0.9
53.03927	2.9
54.06091	1.0
55.01843	1.8
57.03418	6.1
61.02905	9.6
62.01014	1.1
67.05482	2.4
69.03400	28.9
69.06998	1.2
71.04966	5.1
73.02877	6.2
81.03378	20.9
83.04950	2.7
85.02873	100.0
87.04433	36.8
91.03911	5.2
95.04946	2.2
95.08554	2.3
97.02859	27.2
99.04403	4.7
101.02341	1.5
107.04906	5.2
109.02827	12.3
109.10098	2.4
111.04406	4.3
111.08019	5.3
113.09597	4.8
115.03891	85.5
117.03357	2.2
120.18179	1.1
123.04459	1.4
127.03867	36.5
129.05441	1.4
133.02841	5.7
133.04912	19.1
134.39709	1.3
135.04340	2.1
137.09566	2.8
145.04926	25.4
151.03882	1.5
153.05392	15.4
153.06259	1.0
155.10616	5.4
157.04970	1.5
161.02316	2.6
163.03825	14.4
163.05974	2.5
179.03314	10.2
200.59131	1.1
203.03317	4.6
259.08014	8.0
277.09073	22.9
310.91574	1.2
380.60013	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01855	1.6
55.05493	9.4
57.03421	0.9
59.92221	0.9
65.03911	13.7
67.05145	1.9
67.05482	28.6
68.99763	4.4
69.03407	16.3
71.04986	1.3
76.75119	0.9
77.03894	13.2
79.87012	0.9
80.87797	0.9
83.04948	75.6
85.02869	27.2
85.06510	1.1
87.00775	1.9
87.04439	2.1
92.08766	1.4
93.03371	26.8
95.04929	31.6
97.02866	5.6
98.97540	4.1
101.06023	1.7
105.03357	30.3
105.04453	1.5
105.07018	2.1
107.04913	18.4
109.02851	2.5
111.04403	95.3
113.05965	1.3
115.03921	2.3
116.98577	1.8
121.02858	10.9
123.04379	18.0
127.07476	1.1
129.05428	35.3
133.02806	100.0
135.04373	6.2
137.02264	1.5
139.03854	32.0
145.68336	1.0
147.06474	1.3
150.05464	1.2
151.03876	14.7
155.10585	1.6
157.04909	18.9
161.02280	14.0
163.03815	7.4
175.05989	5.9
179.03329	66.3
179.04863	2.2
190.08562	1.7
203.05562	1.1
208.09596	4.1
238.12953	1.0
247.64886	1.0
259.50479	1.1
307.08005	11.4
335.07541	15.7
353.08658	11.4
370.14993	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	370.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
51.20080	0.4
53.03916	1.1
53.60888	0.4
55.01844	0.5
55.05483	2.2
57.07031	0.4
57.46204	0.4
65.03918	5.1
67.05156	0.8
67.05480	14.2
68.99747	1.8
69.03408	5.1
77.03889	1.8
79.05471	3.8
81.03380	0.9
83.04950	21.3
85.02875	8.0
92.08752	0.5
93.03365	9.4
95.04926	14.5
97.02862	0.8
105.03356	16.0
105.04459	0.7
105.16059	0.4
107.04919	35.9
109.02841	2.8
109.10109	0.5
111.04404	28.4
113.16122	0.5
115.03885	0.6
117.03327	0.4
119.04885	2.3
121.02834	4.7
123.04383	14.6
129.05437	10.2
133.02806	62.5
134.03563	1.8
135.04364	0.9
139.03848	13.3
147.04356	7.8
151.03857	27.9
153.73314	0.5
157.04930	7.4
161.02281	32.3
163.03857	0.6
175.05940	7.5
179.03328	100.0
180.03654	0.7
203.05446	0.9
212.70299	0.5
250.77586	0.5
274.41028	0.5
279.39294	0.5
353.08606	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80903	5.8
55.01859	4.8
55.05491	35.5
56.07352	3.7
56.96541	27.5
57.03416	6.1
64.97590	3.8
67.05477	58.6
69.07045	64.6
71.04964	5.3
79.05467	55.0
81.07025	100.0
83.08611	6.6
85.06535	5.1
91.05439	36.1
93.07001	55.4
94.14793	4.2
95.04923	6.2
95.08567	61.5
97.06501	19.4
99.08067	5.6
105.06979	33.9
107.08551	35.3
109.06464	5.9
109.10131	9.0
111.08090	4.0
119.08546	31.5
121.10102	10.2
125.09640	6.4
131.08519	7.2
133.10104	22.3
135.11658	22.6
145.10042	9.1
147.11664	26.3
157.10072	6.4
159.11748	6.4
161.13199	8.8
163.11133	4.4
190.95360	11.1
208.96463	8.7
232.96411	10.7
250.97424	9.8
277.21600	27.0
351.25101	18.3
369.26358	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	369.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.7
53.03924	3.3
53.28512	0.7
55.01856	13.4
55.05497	31.8
56.96521	0.7
57.03154	1.0
57.03418	16.5
57.07045	1.5
57.89193	0.7
59.04969	0.8
65.03905	0.9
67.05482	74.3
69.03397	1.7
69.07043	75.9
71.04964	9.3
73.06521	3.3
79.05463	55.7
81.03381	4.0
81.07027	100.0
83.04959	12.0
83.08588	12.6
85.06531	8.7
91.05442	36.4
93.07006	49.9
95.04935	8.4
95.08571	50.9
97.06498	14.4
97.10131	6.3
98.97600	0.9
99.08052	7.8
105.04449	0.8
105.06996	34.4
107.08559	32.6
109.06485	5.0
109.10124	16.7
111.08070	5.6
115.07533	5.7
117.06954	5.3
119.08539	23.9
121.10097	22.0
123.08015	4.9
123.11668	5.2
125.09583	14.8
129.06944	4.0
131.08501	8.4
133.10086	14.7
134.99655	0.9
135.11642	18.1
137.09555	1.4
143.08556	3.5
145.10086	8.6
147.11639	18.1
149.09531	1.0
149.13242	6.6
151.11089	1.9
153.70071	0.7
157.10074	1.6
159.11641	4.4
161.13213	7.7
163.11110	1.1
163.14751	3.5
165.12660	4.1
171.10260	1.0
171.11609	6.7
173.11694	1.5
173.13127	2.5
175.14767	3.1
179.14198	1.5
180.21852	0.8
185.13184	5.2
189.12642	1.5
190.95308	2.9
199.14691	0.9
208.96443	1.5
229.14294	2.8
241.19496	3.7
250.97441	1.0
259.20370	7.2
263.56055	1.0
277.21521	15.6
295.22589	7.7
309.71426	0.9
317.81290	1.0
351.25110	14.6
369.26242	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	369.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14376	1.6
55.51912	1.3
56.96542	1.4
57.07062	1.6
67.05490	2.4
69.07025	1.7
71.08582	1.4
76.96342	1.5
81.07027	2.9
83.61594	1.6
89.05988	6.6
92.09319	1.9
95.04929	2.0
95.08568	3.1
98.97540	9.3
99.63775	1.6
105.06992	1.8
109.10106	2.8
116.98557	5.6
133.10034	1.9
134.42558	1.6
134.99612	3.1
150.04301	1.7
177.00723	1.9
190.95366	2.5
208.96359	2.9
232.96410	2.3
250.97334	1.8
252.39049	1.6
369.25992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.7
55.01853	7.5
55.05499	7.7
56.32281	0.9
57.03420	9.9
57.07035	1.0
59.04971	4.4
60.92138	1.2
61.02911	9.5
62.23400	0.9
67.05468	6.9
69.03040	1.6
69.03404	36.7
69.07041	5.4
71.04967	8.1
73.02879	5.5
79.05456	10.0
81.03400	11.6
81.07038	10.8
83.04955	15.6
85.02878	54.7
87.04434	1.6
89.03895	1.3
91.03886	1.8
91.05433	14.3
93.07000	15.0
95.04931	9.7
95.08575	7.1
97.02859	24.1
97.06497	4.2
99.04407	5.0
105.06998	44.2
107.04922	4.3
107.08574	20.0
109.02831	15.5
109.06490	10.3
109.10126	6.4
111.04350	1.2
117.03362	11.2
117.06997	4.6
119.04898	5.3
119.08543	39.2
121.06460	8.5
121.10097	21.4
122.07272	1.3
123.04352	1.3
123.08038	15.5
123.11665	2.2
127.03851	11.0
128.06180	1.5
129.07072	1.3
131.08536	10.4
133.06479	7.9
133.07399	1.2
133.10095	37.4
135.08026	9.7
137.05862	1.3
137.09564	15.0
141.06955	4.1
142.07777	1.4
143.08527	7.7
144.09222	1.2
145.02805	21.7
145.04932	5.4
145.06451	1.5
145.10086	14.6
147.08011	12.4
147.11642	18.2
149.05919	6.4
149.09573	96.3
149.13121	1.4
151.11136	75.0
155.08514	1.3
156.09306	18.1
157.10051	1.5
159.08015	25.2
159.11588	2.7
160.08795	7.7
161.09569	13.0
161.13191	20.2
163.11118	35.8
165.12730	2.1
167.03345	1.7
171.11639	17.8
173.09663	1.3
173.13219	2.2
174.10338	56.2
177.05382	26.8
179.10541	1.9
187.11165	2.3
189.12686	100.0
191.14247	25.7
207.13742	78.3
369.15045	6.2
369.19098	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	369.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.6
55.01845	4.5
55.05492	5.9
56.96578	1.0
57.03155	1.3
57.03419	32.7
57.07048	2.5
59.04978	8.1
61.02901	8.9
67.05470	2.2
69.03406	83.5
69.07040	6.0
70.35037	1.0
71.01336	1.3
71.04964	5.3
73.02875	6.0
75.04449	5.9
79.05470	1.9
81.03397	8.3
81.07018	5.2
83.04950	4.9
85.02876	100.0
85.06510	1.4
87.04436	43.9
87.23940	1.3
89.03874	5.7
91.03910	1.1
93.06995	5.7
95.08565	6.9
97.02858	54.6
97.06509	4.5
98.09651	13.0
98.97565	1.1
99.04413	7.8
101.02325	1.4
107.04917	1.2
107.08564	4.7
109.02835	7.6
109.10127	4.5
111.04393	3.9
111.08109	1.2
115.03889	37.6
116.85126	1.0
117.03344	2.3
121.02803	1.3
127.03870	16.0
129.05447	1.3
131.04868	1.7
133.02812	1.2
133.04933	38.9
135.04382	10.0
135.11626	2.7
144.73193	1.7
145.02791	6.0
145.04910	17.5
149.05934	1.5
153.09047	1.4
153.12720	7.5
154.09412	1.2
159.04350	1.2
163.03845	27.8
163.05981	5.2
164.04172	4.9
171.10036	1.3
171.13774	1.5
172.10338	1.1
174.36049	1.2
177.05394	10.4
179.03343	1.1
208.75081	1.4
225.15929	1.7
229.89494	1.1
237.02831	4.3
239.02019	1.2
241.07057	1.1
251.67732	1.1
263.37674	1.4
311.23785	1.1
335.34476	1.1
369.15146	10.2
383.06186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	1.6
55.01845	4.5
55.05492	5.9
56.96578	1.0
57.03155	1.3
57.03419	32.7
57.07048	2.5
59.04978	8.1
61.02901	8.9
67.05470	2.2
69.03406	83.5
69.07040	6.0
70.35037	1.0
71.01336	1.3
71.04964	5.3
73.02875	6.0
75.04449	5.9
79.05470	1.9
81.03397	8.3
81.07018	5.2
83.04950	4.9
85.02876	100.0
85.06510	1.4
87.04436	43.9
87.23940	1.3
89.03874	5.7
91.03910	1.1
93.06995	5.7
95.08565	6.9
97.02858	54.6
97.06509	4.5
98.09651	13.0
98.97565	1.1
99.04413	7.8
101.02325	1.4
107.04917	1.2
107.08564	4.7
109.02835	7.6
109.10127	4.5
111.04393	3.9
111.08109	1.2
115.03889	37.6
116.85126	1.0
117.03344	2.3
121.02803	1.3
127.03870	16.0
129.05447	1.3
131.04868	1.7
133.02812	1.2
133.04933	38.9
135.04382	10.0
135.11626	2.7
144.73193	1.7
145.02791	6.0
145.04910	17.5
149.05934	1.5
153.09047	1.4
153.12720	7.5
154.09412	1.2
159.04350	1.2
163.03845	27.8
163.05981	5.2
164.04172	4.9
171.10036	1.3
171.13774	1.5
172.10338	1.1
174.36049	1.2
177.05394	10.4
179.03343	1.1
208.75081	1.4
225.15929	1.7
229.89494	1.1
237.02831	4.3
239.02019	1.2
241.07057	1.1
251.67732	1.1
263.37674	1.4
311.23785	1.1
335.34476	1.1
369.15146	10.2
383.06186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1172
Annotation	Methyl-4-O-caffeoylquinate
Peak:m/z	Relative Intensity
53.57323	0.2
53.81715	0.2
55.05492	1.1
57.03413	0.5
61.02921	0.2
61.19184	0.2
63.02332	0.7
64.32613	0.2
65.03920	0.2
67.05472	1.3
69.03400	1.6
69.07035	1.1
70.06559	1.5
71.04938	0.5
72.08121	0.3
73.06527	1.3
76.20129	0.2
76.55183	0.3
78.04686	0.4
79.05446	0.5
81.03380	0.3
81.07034	1.3
83.04958	1.3
85.02866	5.8
89.03884	14.6
91.05441	2.2
91.05934	0.3
92.09393	0.5
93.06998	1.1
95.04941	1.0
95.08556	1.6
97.02836	0.3
97.06517	0.5
105.06977	1.1
106.04134	1.1
107.08566	1.5
107.75573	0.2
109.06497	0.4
109.10117	2.0
109.42853	0.2
111.04372	0.6
111.08037	0.3
117.03337	50.8
119.04865	0.4
119.08517	1.7
121.06464	0.4
121.10085	0.4
123.07996	0.4
123.11655	3.2
124.05190	0.3
125.05954	1.1
127.03889	0.4
131.08481	0.6
133.06366	0.3
133.10085	0.3
134.03572	3.4
135.04352	3.7
135.11665	0.3
137.05963	0.3
139.07487	0.3
145.02800	100.0
145.10077	0.6
146.03258	0.4
147.07924	0.3
147.11601	1.5
149.05931	18.5
149.09538	0.5
151.07513	0.4
153.12685	1.0
156.09210	0.4
158.05963	0.3
159.07996	0.4
159.75854	0.2
162.03062	0.5
163.03828	1.6
163.11133	0.2
171.13718	1.8
172.14055	0.3
174.10269	0.3
177.05402	96.3
178.05713	0.4
186.05431	0.5
189.12686	3.3
207.13687	3.6
212.27287	0.2
225.14745	0.5
289.87231	0.2
351.17950	0.3
369.11115	0.3
369.15015	0.4
369.18881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1172
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
55.05489	0.6
63.02349	0.4
66.79967	0.3
67.05476	1.8
69.03400	1.5
69.07029	0.4
69.10279	0.3
69.61823	0.3
70.73148	0.3
78.80652	0.3
79.05450	0.5
81.03399	0.4
81.07011	0.6
83.04922	1.7
85.02868	2.0
89.03877	10.7
91.05440	1.4
93.06999	0.8
95.04922	0.7
95.08563	4.2
97.02885	0.4
103.05447	0.4
105.06985	1.3
106.04118	0.5
107.08553	0.7
108.08876	0.4
117.03331	41.2
119.08518	2.2
121.10098	0.6
123.08020	0.8
133.10056	0.5
133.36348	0.3
134.03580	2.6
135.04361	2.3
135.11678	0.4
143.19101	0.3
145.02795	87.8
145.10098	0.4
147.11661	0.7
149.05933	14.2
149.09543	4.0
151.11113	0.7
153.12708	0.4
156.09209	0.5
159.07977	0.5
163.03816	1.5
163.11116	0.5
171.11607	0.5
174.10345	0.8
177.05399	100.0
178.05736	0.7
189.12666	3.2
191.14168	0.4
207.13644	2.6
267.58615	0.4
282.71082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56147	3.9
54.80895	4.2
55.01846	4.7
55.05484	20.6
57.07044	4.6
57.40942	3.6
61.17453	3.4
67.05479	5.4
72.04486	100.0
79.05412	6.6
81.07027	6.2
83.04968	4.2
91.05446	10.0
91.27670	4.7
93.07011	17.5
95.08534	7.7
97.02831	7.7
105.03715	4.3
111.04366	7.4
114.09126	6.0
114.95609	4.7
116.98425	4.1
117.48129	3.9
119.08539	4.4
121.06438	5.5
121.10107	10.0
123.04385	19.4
131.08527	8.2
146.38130	4.4
149.09589	8.7
175.14259	3.9
178.16435	3.8
184.16898	28.5
202.17923	48.7
280.19009	24.6
368.12576	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	369.117
Annotation	5-Caffeoylquinic acid methyl ester
Peak:m/z	Relative Intensity
55.05500	0.4
55.31651	0.3
60.96630	0.3
65.03912	0.4
71.04946	1.4
79.05447	0.7
79.77448	0.4
83.04940	1.1
89.03886	6.9
93.03333	0.6
93.07018	1.1
93.54008	0.3
95.04947	0.3
107.04939	3.1
111.04393	1.4
111.08129	0.4
114.36460	0.4
117.02538	0.6
117.03338	12.6
121.02827	0.4
132.03427	0.3
135.04373	27.4
139.03862	0.4
145.02803	18.0
163.03841	100.0
164.04082	0.4
181.65575	0.4
197.99330	0.3
223.38506	0.3
301.71646	0.3
369.14978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2325
Annotation	Brevicompanine B
Peak:m/z	Relative Intensity
53.03929	0.5
55.05497	0.4
62.64803	0.2
69.03402	0.2
69.07039	1.2
72.08122	0.3
73.38490	0.2
77.03912	0.2
79.05463	0.3
81.07013	0.4
83.08594	0.3
85.02854	0.4
86.09667	1.3
91.05476	0.3
92.08768	0.2
93.07016	0.4
95.04922	1.1
95.08571	0.4
105.03356	100.0
107.08553	0.9
109.10104	0.4
115.03860	0.2
122.06004	0.2
134.05981	7.4
135.11612	0.9
153.12700	0.8
162.09077	62.2
166.02020	0.2
171.13718	0.2
176.09145	0.4
176.10609	5.0
193.13300	0.2
207.14783	2.5
245.06566	0.2
247.17784	0.2
249.82332	0.2
284.06342	1.0
322.07822	0.4
342.86176	0.2
350.07291	0.8
368.08398	0.8
368.23190	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	368.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
53.98841	0.3
55.01851	3.3
55.05486	0.9
57.03415	7.9
57.07045	1.7
57.07317	0.3
57.11606	0.3
59.04959	0.6
61.02610	0.5
61.02903	14.1
66.77944	0.3
69.03401	23.0
69.07040	11.2
71.04955	2.5
73.02879	5.0
81.03388	10.1
83.01312	1.4
83.08581	4.5
85.02872	100.0
87.04421	3.4
91.03895	5.6
92.09379	0.7
97.02847	23.1
99.04405	4.6
101.02359	0.6
109.02845	8.0
109.80735	0.3
113.78621	0.3
115.03927	0.5
125.13244	0.5
127.03868	18.8
143.14284	7.4
145.04910	23.9
149.50394	0.4
163.05943	5.6
189.14912	0.6
201.13046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.6
55.05492	5.4
57.03414	4.7
57.07063	1.7
59.04972	3.3
61.02900	5.1
64.33399	1.8
67.05476	11.9
69.03400	18.0
69.07050	16.5
70.57304	1.9
71.04964	13.5
79.05456	5.3
81.03370	8.4
81.07009	20.9
83.04945	13.4
84.61234	1.9
85.02883	51.2
85.06483	2.9
87.60990	2.0
91.05456	3.6
93.06995	41.5
95.04926	3.7
95.08575	24.0
97.02856	12.3
97.06499	23.6
99.04417	5.2
105.07005	2.3
107.08557	54.2
109.02888	7.4
109.06465	4.9
109.10114	35.3
109.72592	2.3
110.10426	2.7
111.04408	9.3
111.08018	4.4
118.98739	2.2
125.05941	11.6
125.09615	9.0
127.03867	11.1
127.07521	2.5
129.05482	2.9
135.11639	100.0
145.04971	8.1
147.82373	2.3
151.11168	3.3
153.05434	11.3
153.09047	16.2
153.12695	79.7
163.05995	5.0
169.12180	3.4
170.12477	4.3
171.06433	9.8
171.10083	14.6
171.13823	2.8
189.07458	17.3
189.11218	4.1
316.37344	2.5
344.71762	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
53.97073	0.2
55.01858	0.3
56.65856	0.2
57.03416	0.9
61.02893	1.7
68.64552	0.2
69.03400	2.5
69.47293	0.2
71.04957	0.3
73.02905	0.2
76.55056	0.2
79.05447	0.3
81.03394	1.1
83.04926	0.3
85.02876	6.9
87.04398	0.2
97.02853	2.3
97.06489	0.2
99.04431	0.3
109.02856	0.8
111.08067	0.2
125.05949	0.3
127.03880	0.5
132.04399	8.3
144.08003	0.2
145.04945	0.5
146.05983	0.9
147.04414	0.4
147.06329	0.4
153.05464	0.4
154.33168	0.2
171.06483	0.3
171.10138	0.3
178.04929	100.0
178.79874	0.2
179.05356	0.2
188.07001	1.6
189.02954	0.2
189.07346	1.3
205.09709	0.4
206.04420	83.5
207.04810	0.8
226.61224	0.2
230.07924	0.2
235.04022	0.2
333.66327	0.2
368.09604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.0
56.86677	0.9
57.03399	5.0
57.07040	5.8
58.31869	0.8
59.04958	4.0
61.02900	2.1
61.13014	0.8
67.05487	7.9
69.03402	7.6
69.07040	41.5
71.04962	36.3
73.06505	6.1
79.05456	11.0
81.03365	2.0
81.06544	1.8
81.07019	46.1
83.04935	1.8
83.08580	15.3
85.02365	1.4
85.02870	32.8
89.03886	1.5
90.76737	1.0
91.05445	7.4
92.08710	1.1
93.06423	2.0
93.06999	45.6
95.04896	1.7
95.08567	16.4
97.02853	7.9
97.06480	17.7
99.04382	1.4
99.08043	1.8
105.06991	4.9
107.08552	43.1
109.02831	1.6
109.06488	1.2
109.10097	14.5
111.08003	2.0
117.03313	8.9
119.08525	5.4
124.07483	1.0
125.13198	5.4
127.03871	4.1
127.11140	2.1
131.08507	1.3
133.10168	0.9
135.11638	52.4
141.12747	1.0
145.02798	20.7
145.04893	4.5
145.10121	1.0
147.11629	1.0
149.05937	4.2
153.12688	100.0
163.05927	1.9
171.13745	11.6
173.09607	1.0
177.05391	23.4
189.14719	1.1
198.72485	1.0
223.52153	0.9
315.17908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80964	2.3
55.01863	10.3
55.05489	12.1
56.96525	3.7
57.03410	5.0
57.07051	3.8
59.04975	4.2
59.88761	2.8
61.02885	3.9
61.49052	2.5
65.03915	2.6
67.05474	25.6
67.68295	2.3
69.03407	15.3
69.07043	25.5
71.04962	48.7
79.05452	11.8
79.22159	2.5
81.03413	9.6
81.07022	100.0
83.04955	46.5
85.02876	34.1
85.06514	4.6
89.05984	10.9
91.05432	13.9
92.08707	3.9
93.07018	30.2
95.04926	18.4
95.08581	21.6
97.02853	6.8
97.06512	2.7
98.97570	3.3
99.04395	5.0
105.06992	27.0
107.08557	40.4
109.06478	17.8
109.10117	35.1
111.08038	5.9
119.04897	2.8
121.10066	6.5
123.04375	3.8
123.08039	4.6
123.11652	71.8
125.09584	3.0
127.03865	3.8
133.10081	19.8
134.10414	4.3
135.04411	3.3
139.11163	4.8
141.12660	3.6
144.73056	2.7
147.04401	3.5
151.11125	46.7
157.06450	5.4
157.12228	4.6
161.05884	3.3
163.03818	4.4
167.06975	4.1
169.08670	3.2
169.12202	72.5
183.06546	4.5
187.13275	6.3
190.02560	3.2
205.14218	3.5
223.05911	6.4
225.32645	2.7
249.07426	4.0
287.66785	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	367.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93643	1.2
53.03935	6.8
55.01867	1.8
55.05497	27.9
56.96554	1.7
57.03406	2.4
57.07050	8.6
59.04969	2.0
65.03915	3.5
65.80054	1.3
67.05153	2.3
67.05482	42.3
69.03397	8.4
69.07043	25.1
71.04945	2.7
79.05457	45.9
81.07028	53.6
83.04948	6.6
83.08582	8.7
83.76760	1.3
85.06528	7.3
91.05446	73.5
93.07008	82.4
95.04926	39.5
95.08572	52.2
97.06476	10.0
103.05433	5.8
105.06995	100.0
107.04897	1.7
107.08560	51.3
109.06478	12.4
109.10127	31.3
111.08067	2.3
115.05418	6.2
116.06264	2.1
117.06984	22.3
119.08536	87.4
121.06466	9.9
121.10100	43.4
121.10976	2.0
123.08033	7.4
123.11655	8.0
128.06157	12.3
129.06943	18.6
130.07741	10.5
131.08528	59.1
132.49673	1.5
133.06444	2.1
133.10083	47.9
135.08003	15.3
135.11656	13.3
141.06966	8.0
142.07750	25.0
143.08527	45.8
144.09312	14.7
145.10072	60.7
146.07224	7.2
146.10892	2.3
146.19305	1.6
147.08008	8.1
147.11589	13.1
149.09602	10.2
149.13216	1.5
154.07808	2.7
155.08499	15.4
156.09308	17.6
157.10068	49.4
158.07280	2.4
158.10884	7.9
159.07962	3.4
159.11629	32.0
159.12831	2.4
161.09564	30.8
161.13223	3.4
163.11108	1.8
165.06920	5.6
167.07292	1.7
167.08420	10.2
168.09296	7.0
169.10081	17.5
170.10876	7.9
171.11615	22.0
172.12338	3.0
173.09575	3.0
173.13217	16.9
175.11140	5.4
175.14685	10.2
179.08438	11.6
180.09273	5.8
181.10034	10.2
182.10789	6.7
183.11658	19.5
184.12466	3.4
185.13213	15.0
187.14766	9.4
192.09074	1.4
193.10165	1.9
194.10858	6.6
195.11583	12.9
196.12427	2.7
197.13165	15.4
198.14006	1.9
199.11084	2.8
199.14758	10.1
201.16306	3.4
207.11659	2.7
208.12411	1.9
209.13188	16.5
210.14011	1.7
211.14787	6.2
213.12862	1.7
213.16298	2.7
223.14774	1.8
225.16353	5.8
227.14177	11.5
237.16211	2.0
239.17914	3.2
267.17371	2.2
273.06503	2.4
349.25140	8.4
367.26254	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	367.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95041	0.6
53.00289	0.7
53.03928	3.5
54.02644	0.6
55.01839	1.0
55.05487	4.1
57.03405	4.4
57.07063	2.7
59.04979	2.8
61.02898	3.4
61.99793	0.7
67.05480	6.7
69.03402	9.6
69.07043	16.6
71.04964	37.7
79.05457	15.1
81.03381	4.8
81.07024	100.0
82.07359	1.4
83.04948	4.7
83.08594	4.5
85.02872	29.7
87.00778	0.9
87.04439	1.2
91.05424	1.3
93.06987	6.2
95.04936	1.7
95.08569	4.1
97.02876	8.5
97.06489	7.7
97.10147	1.2
98.97550	3.4
99.04406	1.1
99.08051	6.2
100.02177	0.9
101.05981	0.8
101.09611	1.2
105.07008	1.5
107.07883	1.2
107.08563	19.5
109.02864	1.7
109.06464	4.1
109.10117	22.8
110.97535	0.7
111.08018	5.2
111.11680	9.5
112.14684	0.8
113.05946	1.1
113.54255	0.8
115.03896	1.8
116.98557	0.8
121.10120	3.5
123.08015	2.9
123.11657	29.7
123.81492	0.8
125.09537	0.9
127.03873	4.4
133.10114	5.1
139.11134	13.0
145.04933	4.3
147.04359	1.8
147.09116	1.0
151.11131	29.5
157.12183	15.7
169.12173	28.7
187.13229	78.1
205.14319	4.3
211.47566	0.8
237.02638	0.9
367.09512	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	367.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14277	0.6
51.48845	0.5
51.93145	0.5
53.00284	0.7
53.03925	1.5
55.01863	2.2
55.05504	7.3
57.03415	2.9
57.07051	2.8
59.04975	1.2
59.94326	0.6
61.02883	3.1
67.05477	10.2
69.03406	9.3
69.07044	17.7
71.04571	1.3
71.04963	34.7
79.05454	13.8
79.64326	0.5
80.05810	0.7
81.03397	2.5
81.07024	100.0
82.07347	6.0
83.04948	5.0
83.08572	1.0
85.02875	22.3
85.06513	1.2
86.03159	0.6
87.04442	0.7
87.08073	0.8
90.04619	0.6
91.03912	0.7
91.05441	12.1
92.05762	3.9
92.09406	0.7
93.07002	13.0
94.07359	3.7
95.04927	3.9
95.08576	5.9
97.02841	4.7
97.06483	6.5
97.10152	1.3
98.97572	0.9
99.04396	2.4
99.08053	6.1
100.02138	0.9
102.87796	0.7
105.06992	19.3
106.07321	8.0
107.08559	18.0
108.08891	1.5
109.02808	1.3
109.06483	5.4
109.10121	25.0
111.08035	3.0
111.11678	9.3
116.01659	0.8
119.04887	0.9
121.10072	5.5
122.10396	0.7
123.08029	1.1
123.11662	29.5
124.11934	1.2
125.09608	0.9
127.03876	3.4
127.07458	0.7
131.08464	1.1
133.10091	14.0
133.24313	0.6
133.68365	0.6
134.10397	6.1
139.11145	14.4
145.04942	1.6
147.04292	0.7
151.11134	28.6
152.11490	2.6
157.12193	11.1
169.12173	25.5
170.12659	0.7
187.13232	56.7
203.04976	0.7
205.14272	5.2
219.62816	0.7
234.14517	0.6
284.08621	0.7
367.16751	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	367.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.05494	12.0
57.03411	0.6
57.07050	1.6
59.04974	1.5
60.04500	0.4
60.17331	0.3
61.02890	0.4
66.52924	0.4
67.05481	39.7
69.03391	0.9
69.07027	2.1
71.04970	2.0
73.06511	1.6
79.05466	4.1
81.07024	100.0
83.04921	0.6
83.08582	3.3
85.02876	3.5
85.06511	2.6
86.09677	0.7
86.75357	0.4
92.08645	0.8
93.06988	0.7
95.08567	4.1
96.79022	0.4
97.06496	0.7
97.10130	3.4
100.13076	0.4
104.81886	0.4
107.69984	0.5
109.02905	0.4
109.06501	0.5
109.10146	2.2
111.08040	0.5
119.04908	0.8
123.08039	0.9
123.11659	61.2
124.12016	0.4
125.63966	0.4
133.69785	0.4
141.12697	30.5
147.04369	3.6
151.11131	0.7
152.11526	0.6
159.13742	10.3
169.12253	0.8
170.08925	0.5
170.12534	0.6
187.13248	2.4
205.14293	13.2
308.99640	0.5
332.61551	0.5
343.77240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.05247	0.6
55.05495	12.4
57.03420	1.1
57.07051	2.4
57.40904	0.4
59.04976	2.3
60.04513	0.4
61.02899	1.1
65.03934	0.7
67.05479	45.7
69.03382	0.8
69.07037	2.9
71.04954	2.7
73.06529	0.5
79.05457	2.9
81.03396	0.5
81.07024	100.0
83.08579	4.2
85.02866	3.5
85.06505	2.7
86.09676	1.0
91.05434	0.6
93.06993	0.6
93.86897	0.5
95.08588	3.2
97.10121	3.9
99.08071	0.8
107.08572	0.7
109.10122	2.3
115.03916	0.9
123.11662	62.1
128.10657	0.5
141.12697	28.1
147.04362	3.1
151.11244	0.8
152.59178	0.5
159.13753	13.6
166.46651	0.5
169.12199	1.0
169.15813	0.5
187.13251	3.3
205.14261	15.7
344.97083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
53.25292	0.6
54.55412	0.6
55.01843	0.9
55.05494	6.2
56.96523	0.6
57.03405	1.7
57.07041	1.0
59.04965	3.5
61.02896	1.8
67.05468	5.4
69.03398	8.3
69.07043	17.5
71.04573	1.5
71.04958	41.3
73.03590	0.8
79.05447	13.5
81.03381	1.8
81.07018	100.0
83.04934	6.4
83.08569	4.2
85.02868	20.1
89.05975	1.6
91.05441	2.9
93.07029	5.2
93.96480	0.8
95.04919	3.8
95.08578	5.2
97.02834	5.2
97.06472	6.7
97.10108	1.2
99.04397	1.2
99.08077	6.0
105.06992	3.0
107.08549	17.1
109.02818	1.0
109.06484	4.2
109.10110	21.2
111.08064	6.1
111.11650	9.2
113.05972	1.7
113.28958	0.7
118.94891	0.8
119.04873	0.8
121.10078	1.9
123.08026	0.9
123.11650	24.7
127.03838	1.8
133.10059	4.0
139.11111	13.0
147.04337	1.4
151.11125	28.8
152.11504	0.8
157.12173	14.9
169.12163	23.2
170.61601	0.8
187.13217	71.7
190.03107	0.8
205.14265	3.0
205.29036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.5
55.01840	2.9
55.05482	3.2
57.03416	2.6
57.07059	8.7
59.04972	2.6
61.02901	1.1
67.05480	12.3
69.03403	10.0
69.03995	0.4
69.07035	6.9
71.04956	2.6
73.02856	0.6
79.05459	2.3
81.03351	0.9
81.07026	13.4
83.04942	7.2
83.08604	0.5
85.02866	7.4
85.06509	100.0
89.03887	5.5
90.04221	0.5
91.03947	0.5
91.05436	1.0
92.09302	0.9
93.06993	5.8
95.04929	2.7
95.08582	3.4
97.02831	1.8
97.06503	0.6
99.04399	0.5
99.08075	2.0
101.05959	4.3
105.06995	2.2
107.04943	1.0
107.08546	3.1
109.06493	8.4
109.10114	3.7
111.08044	11.6
113.05973	5.1
117.03345	3.8
118.03637	0.8
121.10094	1.9
123.11662	3.5
125.09592	7.6
133.10085	2.2
135.04369	8.5
136.04723	1.8
137.58452	0.5
139.11133	6.3
145.02696	3.1
146.03151	1.1
151.11121	5.5
157.12169	18.0
163.03835	24.8
164.04152	5.6
169.12161	19.2
169.13492	0.7
187.13217	21.4
191.11177	0.5
202.59753	0.4
205.14290	13.6
221.02892	0.8
222.02963	0.8
223.02812	0.6
290.05582	0.6
388.08353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05485	4.0
57.03401	2.2
57.06789	0.5
57.07051	8.9
59.04985	1.9
61.02888	0.7
63.26197	0.4
63.97771	0.3
64.11301	0.5
64.32056	0.4
67.05474	11.9
67.88763	0.3
69.03398	9.0
69.07039	6.1
70.21355	0.3
71.04969	0.7
79.05464	1.8
81.07021	13.4
83.04950	7.5
85.02877	7.8
85.06510	100.0
89.03875	2.7
91.05478	0.9
93.07003	4.8
95.04939	2.3
95.08586	2.2
97.02849	2.4
97.06511	0.5
99.04385	0.5
99.08064	0.5
101.05981	5.6
105.06977	0.7
107.04938	0.5
107.08570	2.6
109.02862	0.7
109.06474	7.4
109.10126	3.1
111.08046	10.6
113.05968	3.3
117.03344	2.3
121.10120	1.0
123.11639	3.3
125.09595	5.9
127.03827	0.9
133.10088	2.3
135.04359	4.0
139.11145	6.5
145.02815	1.7
151.11143	5.8
154.40009	0.5
157.12184	16.9
163.03850	11.9
164.04204	2.5
169.12177	16.9
187.13231	19.3
201.32672	0.5
205.14267	13.7
221.03050	0.8
254.54564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01863	8.9
55.05496	32.9
57.03415	12.5
57.07049	11.9
60.20341	1.9
61.02903	4.4
62.82618	2.2
64.09178	2.6
67.05476	24.6
68.99749	3.5
69.03403	100.0
69.07040	25.4
70.97347	2.0
73.53576	2.4
79.05458	24.0
81.03390	21.0
81.07024	58.3
82.18571	2.4
83.04957	14.8
83.08598	16.1
85.02863	30.2
85.06506	13.3
87.00786	13.9
91.05437	26.7
93.07009	37.1
95.04923	11.6
95.08572	68.4
97.02843	16.1
97.06504	30.5
105.03361	4.1
105.06998	36.8
107.04926	5.7
107.08562	68.8
109.06487	18.5
109.10127	23.3
111.04348	3.1
111.08025	17.6
117.06995	10.0
119.08549	38.1
121.06451	9.9
121.10096	25.2
123.08034	11.1
123.11622	4.2
128.06178	4.0
129.06982	11.7
131.08502	16.5
133.06448	5.7
133.10094	16.2
135.08017	12.6
135.11607	19.1
137.05876	3.8
137.09546	5.2
137.13234	6.0
139.07333	3.1
141.64822	2.5
142.07738	6.0
143.08513	13.1
144.09297	4.4
145.10091	12.5
147.08009	10.1
147.11670	16.5
149.09599	4.5
149.13217	10.7
151.11131	10.9
153.12688	4.1
156.09331	3.2
157.10107	15.8
159.08002	5.9
159.11635	16.3
161.09596	12.7
161.13203	13.5
162.09125	2.5
163.11086	4.9
165.12698	16.9
171.11626	3.8
173.09526	3.1
173.13200	5.1
175.11147	3.3
177.12668	18.1
179.10663	3.9
179.14194	2.7
185.09595	5.5
185.13188	2.9
187.11131	2.8
189.04042	3.0
189.09119	2.6
189.12723	10.5
195.13777	4.1
203.03842	2.4
203.14131	3.1
217.15872	3.5
219.13892	4.4
221.15346	10.2
227.14156	3.3
245.15176	20.6
263.16373	20.8
349.16354	30.6
367.17563	21.3
367.21594	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	367.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15092	0.3
55.01846	0.9
57.03421	2.7
61.02887	2.6
67.05477	0.8
69.03407	7.1
69.07037	0.6
71.01337	0.5
71.04961	4.1
73.02878	1.5
75.80595	0.3
79.05431	0.4
81.03370	1.7
81.07013	1.9
84.17718	0.4
85.02892	0.8
85.06507	0.6
91.05426	1.9
93.06983	0.6
95.08576	0.8
97.02879	0.5
99.04417	2.7
105.06994	1.8
107.08537	0.5
109.10108	2.1
110.07193	0.4
118.06473	1.7
123.11675	0.6
132.08037	0.5
133.10089	2.3
145.07564	8.2
146.08301	0.6
147.09132	19.9
151.11151	2.1
152.11427	0.4
157.07613	0.6
159.09122	9.5
160.09903	2.2
161.10721	0.6
169.12137	2.3
173.07048	0.7
173.10689	0.8
175.08589	1.6
183.09270	0.4
185.10713	3.0
187.08679	0.7
187.12198	0.8
189.10161	0.6
191.08090	100.0
197.10782	1.4
199.08658	0.6
199.12146	1.1
213.10152	1.7
215.11836	1.6
216.07651	6.1
218.20581	0.5
225.10220	0.8
263.13831	7.2
271.10727	0.8
289.11752	4.3
295.65768	0.4
307.12762	30.2
350.13345	55.8
351.13693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36415	0.6
52.45303	0.6
54.06495	0.5
56.26324	0.6
56.96531	1.0
57.03408	2.6
57.24328	0.6
57.33884	0.6
58.73831	0.6
59.04971	1.0
61.02906	2.1
65.16098	0.6
67.05472	0.6
69.03402	5.5
70.06558	6.2
71.04935	1.2
71.06877	1.1
73.02869	1.3
74.17690	0.6
79.05466	0.9
81.03381	2.7
81.07002	2.9
83.04958	0.7
85.02380	0.8
85.02878	21.1
85.06504	0.9
86.16555	0.7
90.40780	0.6
91.05447	3.2
93.07001	0.8
97.02840	3.7
99.04378	1.4
103.03915	1.0
105.07005	1.1
107.04963	0.7
107.08553	3.9
108.08893	0.9
109.02824	0.9
109.10126	1.1
110.11251	0.6
112.07577	5.4
113.07880	1.2
115.05415	1.4
117.06915	0.9
118.06491	21.0
119.04884	3.5
123.11622	3.3
127.03896	3.9
130.06458	7.1
132.08046	9.4
134.99623	0.7
140.06982	1.2
142.06464	3.4
143.07251	5.9
144.08041	18.6
145.04900	1.1
145.07561	1.7
146.05963	72.4
147.04327	7.7
151.11139	4.1
152.11385	0.9
154.06468	1.2
156.08020	10.0
158.05966	0.7
158.08118	3.6
158.09561	1.5
159.09079	4.0
160.06378	0.7
160.07452	6.0
163.03773	0.9
167.07021	1.1
168.07979	4.0
169.07512	0.7
170.05965	7.5
171.09100	0.9
172.07495	1.0
173.99391	0.7
174.09071	0.9
178.04898	9.1
182.05843	0.8
184.07552	4.6
185.08205	0.8
186.05673	0.8
186.09050	2.9
188.06999	100.0
191.43808	0.7
192.07843	0.7
200.07082	1.0
202.08606	5.1
203.05202	6.5
205.09650	25.7
206.04439	7.7
228.06474	0.8
230.08022	30.5
230.10294	1.3
235.05182	0.7
247.10588	6.5
260.09109	0.7
276.12131	0.9
332.11081	3.0
349.13672	2.3
350.12134	10.4
367.09943	5.0
367.14859	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	367.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01854	11.6
55.05490	11.8
57.03412	8.4
57.03667	1.2
59.04982	4.5
61.02901	3.0
67.05480	6.3
69.03395	11.5
69.07031	2.1
69.47900	1.1
71.04956	6.6
76.08327	1.2
79.05468	7.2
81.03397	7.4
81.07009	14.2
83.04974	6.2
83.08599	18.8
85.02886	23.3
85.06514	12.5
86.03238	1.4
87.00813	2.6
89.03893	6.6
89.85287	1.1
91.05443	9.1
93.07008	18.2
94.07336	3.1
95.01298	51.3
95.04949	5.1
95.08566	5.4
97.02870	6.7
97.06499	2.0
99.08070	1.6
101.09625	5.1
101.93941	1.1
102.04674	1.3
103.05424	10.2
105.06985	22.9
107.04894	2.5
107.08606	9.9
109.02839	1.7
109.06477	2.3
109.10155	2.8
111.08009	3.7
113.02333	26.1
113.05972	1.6
115.05425	14.8
117.03336	6.6
117.06975	7.4
118.04105	2.1
119.04856	2.5
121.06509	1.4
121.10139	1.6
123.04375	2.3
123.07967	1.6
123.11676	7.4
125.09572	1.3
127.03947	5.2
128.06198	13.6
129.06953	7.1
130.04103	1.4
130.94719	1.2
131.04895	22.9
131.08580	1.7
132.05685	2.1
132.95787	2.0
133.06458	17.2
133.10074	4.3
135.04379	11.7
139.60799	1.4
141.06972	6.7
143.04904	1.8
143.08554	6.7
144.05692	6.5
145.02815	7.0
145.05424	1.6
145.06447	18.9
146.03513	2.5
147.03366	1.2
147.04341	11.0
147.07986	2.0
148.05157	6.9
149.05917	2.3
151.07553	1.8
151.11107	8.9
152.06195	2.9
153.06943	9.6
155.04890	1.7
155.06003	2.4
156.05652	5.2
157.06447	9.3
157.12250	1.5
159.04355	5.8
159.08005	2.6
160.05208	2.4
161.05916	22.1
162.03084	1.3
163.03845	29.8
164.04201	6.8
165.01711	1.3
167.06973	34.3
169.06448	5.9
169.08556	2.6
169.12144	10.7
170.03545	1.6
170.07201	2.1
170.08835	1.5
171.04298	1.8
171.08008	17.0
172.05121	6.0
173.05901	9.3
175.03902	1.5
175.07526	5.4
176.04597	14.2
177.05461	8.3
178.06177	2.1
180.59027	1.3
181.04999	1.9
181.06372	10.6
181.08676	2.1
184.05151	9.4
185.05960	5.0
187.04012	1.7
187.07474	9.0
187.13268	6.1
189.05461	2.6
190.06248	2.7
191.06987	12.6
192.07838	1.5
193.08540	20.7
194.05710	8.5
197.05966	2.8
198.06709	5.3
199.07446	18.5
201.05443	7.3
202.06200	2.2
203.06921	1.7
205.08528	6.8
207.06454	2.8
209.08125	15.2
212.04631	6.2
213.05460	1.6
215.07008	4.9
216.03951	1.5
216.07701	2.6
216.97997	1.7
217.08531	5.8
218.05763	5.0
219.06476	5.3
221.07997	2.4
223.06082	1.5
226.06248	1.7
227.06995	18.4
229.04874	1.6
231.06586	1.5
231.10106	6.4
233.07970	10.5
237.07729	1.2
244.07214	2.5
245.04471	1.6
245.07993	2.7
251.09167	2.1
259.09561	8.0
261.07532	8.2
277.10709	2.5
279.08557	1.4
289.05292	1.7
301.31177	1.3
303.30994	1.3
305.10110	9.1
307.08115	2.1
323.11136	100.0
330.67914	1.3
339.10580	2.6
367.13779	2.7
392.86035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56274	1.6
53.03928	5.1
54.77866	1.8
54.80756	1.6
55.01851	4.9
55.05486	7.8
56.96547	76.5
57.03426	19.6
57.03658	2.2
61.02909	19.8
67.05480	3.2
69.03406	44.8
71.04956	12.9
72.08122	2.7
73.02885	20.6
79.05457	2.1
81.03393	21.6
83.04940	5.0
84.96011	11.4
85.02875	79.1
85.06504	2.1
86.03197	2.4
87.04432	12.8
91.03928	3.3
91.21046	2.1
95.04924	4.4
97.02869	45.7
98.03156	2.8
98.97544	100.0
99.04420	11.7
100.99098	24.1
101.00826	2.7
105.02059	2.3
109.02845	12.3
110.01242	2.6
110.97525	18.6
111.03001	2.2
112.99107	9.4
113.05964	2.4
116.98585	60.9
119.00127	18.4
119.01852	20.1
120.03484	2.4
122.07114	3.3
127.03907	22.4
128.02274	3.1
128.98553	30.2
131.00121	25.3
131.01765	4.3
131.61470	2.3
133.01646	2.6
133.03389	20.7
134.99591	23.0
136.06137	3.0
137.01169	4.0
137.02827	4.9
143.00108	13.6
143.01866	9.0
145.01663	23.6
145.03432	8.8
145.04927	13.6
146.99599	23.6
147.03172	8.3
147.05008	3.4
149.01169	15.0
151.04439	3.5
157.03368	8.8
158.99612	17.2
159.03171	4.5
159.04980	8.8
161.01160	18.7
161.02864	12.8
161.04399	3.5
161.05650	6.2
161.55693	2.5
163.02731	78.3
163.04242	8.0
165.00699	4.7
168.03558	3.7
170.04974	36.6
170.55247	2.6
170.99619	9.2
171.04930	2.8
173.01221	7.0
173.02905	9.5
175.02765	3.8
175.04407	14.8
177.00661	23.7
177.04178	22.8
177.05928	7.0
179.02171	7.9
181.03761	38.5
182.06345	2.8
185.02863	2.7
186.99126	2.6
187.02702	8.6
187.04488	2.2
189.00703	14.8
189.04279	2.7
191.02184	9.7
195.01736	3.6
195.05386	7.4
195.07028	4.1
198.04610	2.3
199.04617	2.5
201.00635	3.8
203.02271	2.8
205.03752	19.6
207.01718	4.9
207.05154	2.3
219.01726	35.6
219.05209	3.8
221.05084	8.9
223.04776	9.3
237.02736	91.5
239.04404	4.4
245.05087	2.3
248.99045	2.7
255.03877	10.4
264.06711	18.2
264.56915	2.7
271.05737	4.0
279.09244	4.4
281.05206	3.0
283.06641	3.0
307.06937	60.1
307.10367	6.5
325.04111	2.8
325.07941	67.8
325.11392	3.7
367.08881	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	366.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50024	1.3
57.06787	2.9
57.07056	58.0
59.57541	1.5
69.07038	1.3
71.08601	33.1
73.06541	3.6
79.31062	1.3
83.08632	1.7
85.10153	22.7
87.04435	1.8
89.05995	100.0
97.10172	1.4
99.11681	1.9
107.07049	9.1
127.43653	1.4
133.08551	24.9
151.09633	1.9
161.20479	1.4
161.80843	1.7
177.11200	3.2
195.12236	30.6
215.59674	1.4
243.23157	2.4
243.72227	1.5
279.21851	1.6
349.25577	1.9
349.29358	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.8
55.05485	5.2
57.03399	4.7
57.07038	3.7
61.02880	1.0
67.05475	17.0
69.03395	6.4
69.07027	6.5
71.04961	7.4
79.05449	3.9
81.03402	1.4
81.06554	1.7
81.07025	51.2
83.08553	1.5
85.02875	16.5
91.05437	1.1
93.06991	15.9
93.85645	1.0
95.04911	2.0
95.08566	100.0
97.02861	4.5
97.06476	1.8
99.04420	9.8
99.22791	1.1
105.06973	4.1
107.08553	6.6
109.06478	5.8
109.10120	26.1
111.08051	1.6
113.05966	8.8
114.82635	1.0
123.11664	71.1
127.03847	2.3
127.07520	1.2
133.10092	9.0
145.04845	1.6
151.11131	35.2
169.12172	50.4
189.60535	0.9
196.33127	1.0
230.52151	0.9
243.34550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08758	0.3
53.03930	2.3
54.80671	0.3
55.01844	0.7
55.05494	2.5
55.99521	0.3
57.03414	1.5
59.66431	0.3
61.02903	1.4
62.34407	0.3
62.78485	0.3
67.05460	0.6
69.03408	5.3
71.04964	10.3
72.87181	0.3
79.05464	16.2
81.03381	2.4
81.07027	100.0
83.04948	8.1
83.08599	1.6
85.02879	17.1
87.04454	0.4
91.03925	0.6
91.05447	3.0
93.07010	15.6
95.04941	1.6
95.08570	2.0
97.02863	4.4
99.04424	1.7
99.08065	2.3
105.06993	3.8
107.08568	0.9
109.02863	1.4
109.06446	0.4
109.10135	0.3
115.03855	0.4
117.03336	0.6
119.04897	0.8
123.08079	0.7
123.11662	1.4
127.03869	4.8
133.10080	3.7
135.04376	0.7
145.02876	0.4
145.04907	3.9
147.04343	2.7
151.11075	0.7
163.03854	2.2
163.06003	0.5
168.49243	0.4
175.52657	0.4
194.32498	0.4
211.30338	0.4
237.00623	0.9
243.12184	8.0
255.01752	0.5
277.31879	0.4
294.30521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01843	0.9
55.05487	0.9
57.00739	0.6
57.03399	2.8
59.04982	46.7
61.02902	1.5
67.05472	3.6
69.03394	3.8
71.04932	0.9
79.05453	5.5
81.03370	1.4
81.07019	10.3
85.02875	18.3
89.03883	1.4
91.03903	0.7
91.05444	27.7
91.06013	1.1
92.09380	1.1
93.07008	100.0
95.04940	4.9
95.08577	5.1
97.02874	4.8
99.04408	0.9
105.06999	22.3
107.04882	0.8
107.08567	9.2
109.06474	1.4
109.10140	1.1
111.02654	0.6
113.06839	0.7
117.03314	1.5
118.07670	0.6
119.04865	0.6
121.10091	2.4
121.36514	0.7
123.08079	0.9
123.11665	11.1
127.03847	3.7
129.42795	0.7
131.08527	2.8
133.10086	49.7
135.04398	4.6
145.02737	1.3
145.04919	5.2
147.04376	1.5
148.75586	0.7
151.11131	11.2
160.31891	0.6
163.03865	13.8
163.05966	3.2
169.12175	27.1
265.34518	0.7
268.63586	0.6
331.17459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.4
55.01853	10.5
55.05492	5.5
56.81154	1.2
57.03415	9.7
57.07057	1.5
58.21075	1.1
61.02906	9.2
67.05479	5.9
68.99746	2.1
69.03031	1.9
69.03405	43.8
69.07041	2.4
71.04963	5.8
71.40173	1.3
72.28615	1.1
73.02885	8.6
79.05445	1.8
79.18946	1.1
81.03387	30.6
81.07034	11.1
83.08588	1.8
85.02880	100.0
87.00802	49.3
91.05438	8.0
93.07021	5.2
95.04927	1.8
95.08575	12.0
97.02857	32.4
97.06516	1.4
99.04425	15.4
105.01839	46.0
105.06956	1.4
107.08559	2.1
109.02850	21.4
109.10123	8.2
117.01821	5.1
119.04897	18.9
123.11661	12.0
127.03876	52.7
127.73438	1.2
129.01791	2.8
133.10074	2.0
145.04933	17.3
147.03189	2.3
147.04369	46.1
151.11159	6.7
159.02885	9.7
169.12225	9.8
187.13286	2.2
196.74123	1.2
202.10692	7.9
209.11763	2.4
231.04935	11.6
249.06010	3.0
254.31029	1.3
295.11572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
54.80938	0.2
55.05493	5.5
56.96545	0.3
57.03430	0.7
59.04975	0.3
61.02899	0.8
62.06061	0.2
67.05473	1.2
68.09593	0.2
69.03403	2.1
69.07047	0.3
71.04966	5.5
71.05351	0.4
72.08135	0.2
73.02904	0.2
79.05460	0.7
80.50980	0.2
81.03394	0.9
81.07026	3.1
83.04949	3.8
85.02883	3.7
86.09676	0.2
89.03885	1.5
91.05448	1.8
93.07005	4.9
95.04922	0.9
95.08561	1.2
96.86765	0.2
97.02870	1.0
97.06484	0.5
98.97530	0.3
103.53203	0.2
105.07001	2.3
107.08566	3.3
109.02846	0.3
109.06478	1.1
109.10077	1.4
111.04411	0.2
111.08020	0.4
113.05943	0.3
116.04951	1.0
117.20149	0.2
119.04900	0.2
120.08056	0.5
121.10117	0.3
123.08025	0.8
123.11645	2.4
125.09606	0.3
133.10088	4.4
135.04333	0.9
141.08994	0.2
144.04393	0.3
145.05022	0.4
147.04355	1.0
151.07449	0.4
151.11133	2.8
162.05444	100.0
163.03813	2.2
164.05951	0.2
169.08499	0.9
169.12175	5.9
172.28015	0.2
187.09555	0.8
187.13242	1.0
190.04929	15.1
204.06494	60.0
228.06378	0.2
237.02577	0.2
246.87587	0.2
262.47986	0.2
329.10544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19077	3.8
55.01862	6.2
55.05492	32.1
57.03422	9.4
57.07055	7.7
59.04980	4.0
61.02914	17.3
61.58588	3.7
67.05482	45.5
69.03408	34.8
69.07040	38.3
71.04963	30.7
73.02884	7.6
79.05468	29.4
81.03388	17.3
81.07033	69.6
83.04944	7.4
83.08588	5.3
85.02881	34.3
91.05454	26.4
93.07034	78.6
95.04939	8.3
95.08562	100.0
97.02869	22.8
97.06483	9.5
99.04435	9.1
105.07005	68.4
107.08562	59.0
109.06464	7.7
109.10130	33.1
111.04413	4.9
115.03864	7.2
117.07007	20.8
119.08544	79.6
121.06438	4.6
121.10096	36.8
123.11662	18.6
129.07002	17.4
130.07797	6.0
131.08545	48.0
133.06447	6.4
133.10129	43.8
135.08025	5.5
135.11650	18.7
137.09555	11.3
142.07759	10.0
143.08516	20.1
143.10699	5.3
145.10075	46.6
147.08067	5.6
147.11668	32.4
149.13246	9.3
155.08528	19.0
156.09418	7.0
157.10091	39.2
159.08032	6.1
159.11632	59.9
161.09590	10.5
161.13228	7.1
169.10132	6.0
171.08041	5.3
171.11679	28.7
171.44572	4.6
172.70853	4.3
173.13220	10.7
175.14713	6.8
181.10066	5.2
183.08104	5.5
183.11674	18.5
183.36731	5.1
185.13264	16.8
187.14740	8.9
189.16348	7.3
195.11601	6.4
197.13307	8.5
201.12796	7.3
201.16373	11.2
203.17879	8.6
211.14934	6.5
213.12691	5.1
213.16290	8.4
215.17914	20.1
239.17891	4.7
243.13847	5.3
329.20850	9.6
347.21967	24.6
365.23123	51.1
384.00543	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	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81067	0.6
56.21593	0.5
56.96527	1.2
57.03415	1.4
60.52549	0.5
61.02872	0.7
69.03412	5.3
70.06560	3.9
71.57269	0.6
73.02879	0.9
85.02872	4.9
97.02833	1.5
103.02435	0.8
112.07579	1.6
119.01887	1.2
123.70346	0.6
125.01951	0.7
127.01636	0.6
157.03365	0.8
158.08060	2.6
161.01120	0.8
185.04156	18.7
203.05202	59.6
223.04622	0.7
223.06514	4.8
241.07645	0.8
264.04715	0.7
265.07645	5.6
266.07852	0.7
326.88318	0.8
365.10419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.5
56.96543	2.0
61.02892	1.4
67.05472	2.2
69.03406	0.9
69.07007	1.0
73.02886	1.0
79.05488	1.1
81.07014	2.4
89.10623	0.9
91.05440	1.2
92.08709	2.1
93.06278	1.0
93.06978	2.1
95.08584	1.7
97.00169	1.3
97.44746	1.0
98.97536	2.0
105.06979	1.2
133.09991	1.1
173.13081	1.0
273.09857	1.1
285.09955	2.1
302.31479	1.1
365.22864	100.0
385.95135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69604	1.1
53.03917	2.0
55.01843	5.7
55.05480	6.8
56.96547	74.4
57.03420	10.5
59.05263	1.5
59.55743	1.1
60.04504	1.6
60.34180	1.1
61.02887	7.6
67.05475	2.5
69.03397	20.7
70.06562	3.4
71.04958	10.3
71.95209	1.4
73.02865	6.4
74.97585	14.1
76.55081	1.5
77.00847	1.5
79.05442	5.3
81.03387	8.9
83.04938	9.5
83.44357	1.2
84.08118	1.8
84.96014	18.5
85.02873	44.5
86.97555	5.0
87.04429	2.9
91.03904	2.2
92.08708	2.3
95.01255	2.1
95.04948	11.0
97.02857	31.5
98.97541	100.0
99.04426	10.1
101.00816	2.2
103.02380	1.7
103.03838	1.5
107.04919	15.9
108.05223	2.1
109.02898	2.0
110.97524	7.2
112.07582	3.2
112.99091	2.5
113.02307	1.7
113.05956	10.4
116.06985	1.8
116.98579	93.0
119.01846	13.5
119.04895	1.9
119.25620	1.3
121.06461	7.6
124.02780	1.4
124.99071	2.0
127.03859	17.0
128.02226	2.5
128.98575	15.7
129.03014	1.5
131.00154	10.9
131.01845	7.2
133.03383	3.4
134.99605	60.0
135.04300	2.5
137.02821	3.0
139.03854	6.3
142.96513	2.2
143.00133	11.4
143.01846	1.8
145.01624	2.7
145.03409	7.1
145.04903	9.1
146.99605	12.5
147.03230	2.1
147.04347	6.3
149.01147	11.8
149.05931	6.3
152.98575	4.7
153.00653	12.2
155.01807	2.4
157.03362	2.6
158.99583	18.4
159.04903	2.7
160.97467	1.9
161.01160	29.9
161.02879	11.8
161.06551	7.7
162.99091	2.9
163.02605	2.2
165.00635	2.8
167.02199	2.3
167.05573	2.3
167.06966	9.8
168.03569	8.1
168.05638	1.4
170.99594	8.7
171.05008	2.2
173.01176	7.7
173.02931	9.3
174.99098	2.1
175.02701	2.8
175.04350	14.8
177.00667	40.3
177.02217	2.6
177.04106	7.6
179.02191	23.1
179.07599	3.0
185.02837	2.2
185.06607	2.4
186.99010	1.9
187.02727	8.2
187.08160	2.1
188.97025	2.6
189.00595	10.5
189.05835	1.7
190.98538	5.6
191.02303	11.1
191.07440	1.5
192.96490	2.6
193.03555	1.7
195.01637	5.4
197.03268	20.3
201.00655	6.1
201.02396	2.2
202.98515	2.2
203.02272	11.5
203.03865	2.3
203.07637	9.2
204.99983	2.7
205.03819	6.3
206.97993	2.8
207.01747	2.4
208.99632	2.6
210.97585	2.7
213.00688	3.0
213.02477	2.3
215.07605	7.2
219.01677	18.7
219.03461	10.1
221.03200	13.0
221.04913	12.2
223.04680	1.7
230.98044	9.5
237.02702	38.0
239.04289	6.8
239.07333	1.5
245.03102	2.8
245.05225	2.0
248.99072	81.9
249.01703	2.6
253.04645	2.7
255.03722	3.4
259.06525	1.8
261.07352	1.6
262.05286	8.1
262.55069	1.6
265.83405	1.5
267.00134	88.7
269.56091	1.6
275.04303	2.0
279.03772	9.2
281.01685	2.3
291.00031	7.0
293.01883	1.9
293.05261	7.1
305.01843	1.8
305.05307	7.9
305.10776	11.5
309.01212	15.9
311.06970	1.6
323.02896	3.0
323.06326	21.5
323.11505	2.5
359.44763	1.4
365.07425	2.3
365.12955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37622	0.7
53.03913	0.6
55.01842	1.0
55.05500	5.4
57.03401	0.6
57.07040	2.9
59.04951	0.7
61.02885	0.6
67.05474	8.5
69.03392	1.4
69.07040	14.0
71.04570	1.2
71.04959	34.5
73.06528	7.5
79.05450	4.6
80.32285	0.5
81.07021	11.2
83.04937	0.8
83.08581	8.1
83.19043	0.5
85.02867	7.5
85.06497	1.3
91.05461	1.4
93.07005	19.2
95.08567	58.8
97.02835	0.7
97.06474	2.6
105.06974	2.4
107.08559	20.2
109.10136	10.5
111.08018	1.4
121.10103	10.7
123.11617	5.4
125.09577	0.8
127.03879	0.8
149.13202	32.3
167.14249	100.0
176.10619	0.8
183.02487	0.8
185.15295	3.8
302.17331	1.5
354.16879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01863	1.1
55.05492	1.3
57.03419	5.9
57.07058	0.4
59.04981	1.4
61.02905	2.4
67.05466	1.4
67.19234	0.3
69.03405	3.6
71.04965	0.7
73.02878	0.6
75.04452	8.3
79.05453	9.5
81.03374	1.7
81.07024	12.8
83.04948	0.6
85.02879	14.5
87.04430	2.1
91.03902	0.4
91.05447	8.6
91.08877	0.4
93.07007	85.0
95.04931	3.2
95.08567	7.3
97.02850	4.9
97.06503	2.2
99.04436	0.7
105.04491	0.6
105.07001	8.3
107.08547	4.1
109.02834	1.4
109.06470	0.4
111.04401	0.4
111.07322	0.7
111.08042	11.6
119.08524	1.8
121.06487	1.1
121.10099	100.0
123.08053	3.1
123.11647	5.0
123.64957	0.3
125.05944	3.6
127.03868	2.7
131.08510	1.9
133.07547	1.4
139.11134	15.5
145.04884	2.1
149.09590	8.1
163.05948	0.6
167.10612	25.6
185.11646	0.4
311.14728	0.6
314.15936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01841	0.5
55.05490	0.9
57.03416	0.6
60.04502	1.0
61.02899	0.5
69.03407	2.2
69.73788	0.5
71.04568	1.2
71.04962	31.4
73.98035	0.5
79.05457	7.6
81.07024	3.0
85.02876	5.8
91.05433	6.3
93.07005	79.9
95.04932	2.7
95.08559	2.4
97.02866	2.5
97.06484	0.7
98.16164	0.5
99.04416	100.0
105.04489	0.9
105.06984	2.6
107.04933	2.5
107.08542	3.2
109.06485	0.8
111.08057	0.9
121.06454	12.4
121.10098	30.6
123.08041	0.8
125.05941	3.6
125.09608	0.6
131.08511	0.8
149.05925	6.9
149.09572	13.8
167.06976	5.9
167.10611	52.1
177.13586	0.6
185.08040	0.9
185.11665	1.0
346.25735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38628	0.5
53.03923	3.5
54.99948	0.5
55.01850	4.6
55.05488	3.3
57.03178	0.6
57.03415	8.4
59.04983	0.9
61.02608	0.6
61.02903	12.7
67.05476	5.7
67.11236	0.5
69.03032	1.3
69.03399	26.8
69.07028	5.1
70.51994	0.5
71.04961	5.1
73.02867	5.8
74.28675	0.5
79.05453	7.8
81.03386	8.9
81.07020	11.5
83.01320	0.7
83.04936	1.0
83.08556	0.6
85.02872	100.0
87.04435	11.3
91.03917	6.1
91.05443	1.1
93.07006	13.6
95.04951	0.6
95.08566	16.1
97.02849	25.5
97.06470	2.4
99.04425	3.5
101.05952	1.1
102.47961	0.6
103.03877	0.6
105.06979	0.8
107.08563	3.2
109.02843	7.8
109.10143	2.7
111.11707	0.9
115.03895	7.8
121.10093	17.7
123.11654	0.8
127.03867	16.2
139.11133	14.5
145.04916	20.1
149.09554	1.4
149.13176	0.6
154.46422	0.6
155.66632	0.6
157.12215	1.2
163.05969	3.7
167.10616	2.7
171.82912	0.6
185.11679	3.6
302.17261	0.8
322.86267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
57.03415	0.3
58.20739	0.1
61.02885	0.8
64.46130	0.1
68.62032	0.2
69.03413	1.3
71.04971	0.2
72.75832	0.2
78.04668	1.9
79.05476	1.2
81.03376	0.7
81.07025	0.2
85.02872	4.5
85.63780	0.2
86.74911	0.1
87.73516	0.1
91.05478	0.2
93.07037	0.2
95.04934	0.7
96.05676	0.2
97.02861	1.2
105.03275	0.2
106.04137	1.7
107.04900	0.8
109.02834	0.8
123.04378	7.0
124.05167	2.8
127.03843	0.3
132.38867	0.2
134.03581	0.3
135.04300	0.3
137.05896	0.4
140.04637	2.1
145.04950	0.2
149.05898	0.2
151.03775	1.3
152.04625	2.0
155.06966	1.2
167.06970	100.0
168.07288	0.2
170.05647	0.8
180.08588	0.3
185.08000	0.4
252.99265	0.2
317.15521	0.2
323.06732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
56.96535	0.6
58.18161	0.5
58.99104	0.5
64.32777	0.5
65.75734	0.4
66.80067	0.4
79.05444	0.6
79.98315	0.4
81.07011	0.7
83.73944	0.4
85.16287	0.4
91.05402	0.7
93.07008	0.9
107.08666	0.5
113.79993	0.6
116.98511	0.7
117.06963	0.6
117.99096	0.5
129.06871	0.5
129.96280	0.6
157.06992	0.6
158.24844	0.5
180.09358	0.6
204.61975	0.6
242.62222	0.8
271.06201	0.9
275.19699	2.1
277.17642	2.1
283.15262	0.7
345.24246	0.6
354.16861	0.5
363.24930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17385	0.7
52.49738	0.7
55.05482	1.6
57.07043	5.3
67.05474	4.5
69.07045	3.2
71.08590	4.2
73.06540	1.0
79.05453	1.7
81.07021	8.3
81.29019	0.8
83.08557	1.0
85.06506	4.3
87.04430	1.2
91.05450	1.3
93.06994	4.7
95.08577	7.4
105.07009	1.2
105.66248	1.0
107.08562	1.9
109.06471	22.6
109.10115	1.9
119.08543	1.4
121.10077	1.1
122.07211	1.6
123.08029	35.3
135.07986	2.2
147.11752	0.8
149.13307	1.0
179.14250	100.0
193.15869	3.3
223.33496	0.8
331.26230	2.0
336.99039	1.1
363.24243	1.8
363.28806	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35347	1.6
53.00276	3.1
55.01843	7.8
55.05489	8.5
57.03414	3.4
57.07054	2.2
59.04986	2.3
65.03901	1.6
66.17339	1.7
67.05463	8.4
68.52232	1.6
68.77296	1.8
69.03397	8.4
69.07049	25.1
71.04959	54.3
73.06528	16.9
73.06864	1.8
79.05441	19.1
81.03355	2.2
81.07020	42.0
83.04940	3.1
85.02865	19.4
85.06497	12.6
91.05442	8.5
93.07005	44.8
94.10818	1.9
95.04934	3.0
95.08568	18.3
97.02834	2.5
97.06488	42.2
99.04415	2.4
99.08051	87.5
105.07012	19.3
107.08540	16.7
109.06463	4.0
109.10108	5.0
111.08009	8.4
119.08517	8.4
121.10079	34.8
122.05975	9.6
123.08065	3.4
123.11642	10.8
125.77195	2.2
127.07504	19.3
137.07239	2.2
137.13205	14.3
139.11134	2.8
140.07022	29.3
140.83987	1.9
147.04478	1.9
147.11649	11.5
149.09508	2.7
165.12715	10.0
167.07033	2.2
167.10596	10.5
171.95956	1.9
183.13734	100.0
244.09639	19.0
271.10641	3.4
272.09048	4.2
289.11685	30.9
300.12244	2.6
307.12689	3.1
331.12674	9.2
331.79892	2.5
332.12784	2.4
345.14240	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25896	1.0
53.03919	1.2
57.03413	1.3
57.24227	1.0
59.32276	0.9
61.02897	1.7
65.03902	1.3
67.05476	17.0
69.03399	6.7
69.89162	0.9
72.23369	1.0
74.01842	1.1
77.55958	1.0
81.03378	1.3
85.02882	17.5
86.41763	1.1
93.07014	2.0
95.04927	11.6
97.02834	4.8
97.43439	1.1
111.04395	1.2
127.03915	1.4
138.05452	100.0
163.03830	2.6
164.04205	1.6
166.04933	96.1
180.08682	1.7
184.05969	27.1
201.01456	1.2
230.72365	1.1
363.06464	1.3
363.16083	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39134	0.6
50.77210	0.7
53.03920	3.4
54.81274	0.7
55.01851	4.1
55.05490	1.0
57.03424	7.4
59.04951	0.6
60.04490	1.9
61.02905	12.0
67.05470	1.3
68.44899	0.7
69.03407	20.1
69.07037	15.6
71.04955	3.0
73.02886	5.1
79.05444	1.1
81.03387	10.1
83.04939	3.7
83.48853	0.7
85.02877	100.0
87.04432	3.3
91.03922	4.1
91.05452	3.9
93.07029	1.4
95.08549	3.2
97.02855	28.0
97.06496	86.6
99.04414	4.0
105.07011	1.6
109.02824	8.5
109.10107	3.2
111.12510	0.8
113.02309	1.3
119.08537	3.2
123.08020	3.8
127.03866	19.4
135.07951	0.7
137.09572	5.1
139.17886	0.7
145.04916	26.8
147.08067	0.8
150.06807	0.9
154.03024	0.7
163.05972	8.0
163.07158	0.8
165.09065	3.2
170.22089	0.8
178.44012	0.9
183.10106	31.5
201.11069	5.4
309.13159	1.9
345.15308	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.9
55.05277	0.8
55.05502	12.9
56.96551	1.4
57.07059	11.5
58.06580	1.1
59.04981	0.8
67.05482	33.6
69.03400	1.2
69.07049	5.9
70.06567	22.9
70.31118	0.6
71.04967	55.8
71.08606	8.6
79.05444	5.0
81.07027	28.0
83.04951	1.3
83.08585	8.6
84.08125	2.6
85.06528	0.8
85.10154	0.9
88.07600	22.2
89.05995	1.1
91.05447	4.0
93.07001	6.2
95.08585	6.3
95.70658	0.6
97.06493	1.0
97.10131	9.5
99.08072	1.7
99.72168	0.7
102.09137	2.9
105.07007	2.9
106.08647	1.1
107.08575	6.2
109.10120	20.6
114.09132	13.2
117.05256	0.7
118.08604	1.1
119.08543	3.4
121.10109	3.0
123.11662	3.9
123.41662	0.7
125.09573	6.1
131.08545	1.4
132.10164	40.3
133.10109	1.7
135.11653	1.8
145.10144	0.9
151.11145	1.0
155.10597	1.6
155.14256	17.4
159.11681	0.8
162.11151	0.9
173.11676	22.7
173.13042	1.2
176.12776	6.8
179.14285	0.8
189.11176	5.3
194.13777	8.2
195.13814	0.9
227.16382	5.8
242.24640	1.3
256.26215	6.6
274.27310	5.0
277.21585	7.1
295.22351	0.8
318.29919	3.1
354.22916	0.9
362.32532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91695	0.2
54.10225	0.3
55.01847	0.3
55.21941	0.3
55.88857	0.3
56.96540	2.5
56.96768	0.2
57.03411	0.7
61.02892	1.2
69.03400	2.9
72.07291	0.3
72.08114	1.1
80.79056	0.3
81.03407	1.0
82.06510	0.3
83.05002	0.4
84.08136	0.3
85.02872	4.7
89.03874	1.5
91.05436	0.6
93.06987	0.7
95.04933	11.6
97.02862	1.8
98.97546	3.5
101.88003	0.3
103.05400	0.4
107.04906	0.5
109.02895	0.4
110.97527	0.3
114.35612	0.3
116.98594	2.2
117.03342	0.6
119.04913	1.1
121.06454	8.7
123.04380	100.0
124.30320	0.3
127.03863	0.6
134.99628	0.6
135.04329	3.1
136.06143	2.0
137.05948	2.0
138.09096	1.1
143.00198	0.4
145.02837	1.3
145.04924	1.1
146.03223	0.3
146.99570	0.4
147.04376	1.4
149.01198	0.7
161.01141	0.7
162.99054	0.3
163.03839	9.6
164.04156	2.0
165.05415	30.3
169.84863	0.4
177.00717	1.2
179.02228	0.3
182.07893	0.3
196.60500	0.3
200.05063	0.3
205.03796	0.4
215.03889	0.3
219.01723	0.4
225.28014	0.4
237.02771	1.3
239.04324	1.4
257.05356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45106	0.5
53.03922	0.7
55.01847	1.2
57.03411	2.9
61.02890	3.9
64.55420	0.6
69.03410	8.2
79.05448	1.1
81.03364	3.1
85.02873	27.7
91.05451	1.1
92.64583	0.6
93.07004	0.8
95.08570	0.9
97.02863	6.3
99.04444	0.9
105.06996	19.7
109.02832	3.2
109.10101	3.0
109.93387	0.7
110.59702	0.7
119.08534	1.0
122.03567	2.4
123.04365	1.3
127.03851	3.4
133.06441	36.0
137.05930	100.0
145.04922	2.4
151.07495	0.7
165.09055	24.5
168.36789	0.7
183.10086	26.7
236.36328	0.7
315.02054	0.7
334.45764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01848	2.2
57.03414	2.6
61.02902	7.1
69.03404	9.5
71.04950	1.1
73.02879	1.4
81.03395	4.6
83.06231	0.5
85.02879	42.9
87.04452	1.2
91.03911	2.2
91.05476	0.6
97.02866	9.7
99.04427	1.3
105.06996	4.8
109.02829	2.8
123.04389	100.0
127.03870	4.6
133.06439	8.9
137.04892	1.0
137.05933	28.7
145.04924	7.0
157.39111	0.6
163.06001	1.0
165.05418	32.7
165.09052	5.0
173.96350	0.6
180.08615	1.3
183.06526	8.6
183.10101	5.8
245.24237	0.5
275.04099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66345	0.3
53.03924	0.9
55.01864	0.8
55.05499	0.4
57.03414	2.1
57.45064	0.4
58.95181	0.4
61.02902	2.5
69.03407	5.7
70.06562	0.6
71.04952	0.4
73.02894	0.7
81.03393	2.9
83.01334	0.5
83.23956	0.3
85.02877	25.0
87.04451	0.5
91.03927	0.6
91.05456	3.7
93.07008	0.6
95.04934	11.4
97.02874	6.5
99.04420	0.9
103.21932	0.4
109.02853	2.5
111.22754	0.4
119.04917	6.9
121.06432	3.2
123.04387	100.0
127.03860	4.5
135.04385	0.7
137.05936	9.9
145.04904	4.5
147.04338	3.6
154.08621	2.0
163.03854	1.7
165.05423	32.8
182.08138	0.6
183.06464	1.6
185.06068	0.5
192.29527	0.4
200.09180	0.9
229.68388	0.4
237.02840	0.5
245.08176	0.6
249.07570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01851	5.1
55.05496	18.5
57.06791	0.9
57.07059	18.5
61.41362	0.7
67.05480	18.2
69.03408	3.1
69.06677	1.4
69.07047	39.2
71.04961	6.1
71.08603	3.2
73.30091	0.7
74.49619	0.9
79.05463	19.2
81.07029	100.0
83.08593	19.6
85.02853	1.6
85.06512	21.4
91.05424	6.7
93.07010	29.7
95.04913	2.9
95.08571	54.1
97.06495	8.6
97.10149	6.6
99.08054	4.9
105.07008	11.0
107.08560	28.5
109.06487	3.4
109.10124	31.8
111.08047	44.7
111.11683	4.2
117.07020	1.3
119.08525	8.8
121.09285	1.4
121.10104	21.0
121.10970	0.9
123.08036	1.6
123.11660	16.8
125.09604	3.6
127.11153	1.3
131.08534	3.3
133.10078	10.0
135.11639	9.5
137.09622	1.9
137.13210	8.9
139.11116	1.5
141.09070	1.5
145.10095	4.0
147.11679	7.6
149.09550	1.9
149.13222	12.6
151.11156	4.2
151.14722	1.2
159.11604	6.1
161.13216	4.3
163.11104	1.8
163.14783	6.2
165.12679	1.3
165.16324	1.2
167.07024	1.1
169.12202	1.4
173.13130	2.6
175.14763	3.4
177.12715	0.9
177.16321	1.9
189.16312	3.9
191.17889	3.3
193.15828	0.8
201.16319	1.6
203.17891	1.6
207.17329	0.9
209.18956	5.2
215.17899	3.7
221.18860	0.8
231.21138	1.0
237.22121	1.0
259.24008	1.0
271.24106	7.9
277.25143	5.7
289.25140	25.2
295.26212	3.9
307.26257	25.6
325.27316	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	361.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60616	3.7
53.03923	7.0
55.01847	6.0
55.05497	4.2
57.07019	3.5
60.42210	4.3
61.45861	3.8
67.05479	5.3
69.03411	4.2
72.32621	4.3
78.04658	4.3
79.05470	32.3
81.07014	27.5
85.02866	9.6
91.05447	59.0
92.32977	5.2
93.07028	38.8
95.04922	20.0
95.08549	8.1
103.05455	46.2
105.04418	4.6
105.06987	30.0
107.04922	100.0
107.08530	8.0
111.04389	7.8
113.55406	3.9
115.05421	20.9
118.71260	4.7
119.04915	7.7
119.08517	9.5
121.06507	34.7
121.10106	5.6
123.04373	10.8
125.05957	15.8
127.10216	4.5
128.06178	19.5
128.14520	4.2
129.06944	57.9
131.04889	37.3
131.08522	20.9
133.02748	6.5
133.06415	5.7
135.04410	6.0
135.08008	22.5
136.05122	6.4
137.05899	57.4
141.06943	5.3
145.06398	5.5
147.04358	29.7
149.05896	6.6
151.03868	6.4
151.07448	32.9
152.06155	4.7
153.05383	18.8
157.06445	28.7
161.05927	77.6
161.09549	23.6
163.07513	49.9
165.05420	9.1
165.06931	20.1
165.09027	10.7
166.06169	15.0
167.06966	82.5
167.08318	13.1
174.06650	22.3
177.09019	9.6
179.06970	16.6
179.08382	13.9
180.07780	9.9
181.08548	83.2
182.07182	6.1
183.07982	6.0
189.09019	71.8
194.07213	6.3
195.07979	20.8
197.05847	6.4
197.09547	21.9
199.09145	4.5
199.16936	4.8
207.08075	9.4
207.10112	21.5
210.06656	5.8
211.07477	20.3
219.07863	5.6
221.05974	4.7
222.06645	7.7
223.07439	7.8
223.71576	4.7
225.09032	29.0
227.06947	10.1
227.10626	9.0
236.08321	6.2
239.06970	15.3
239.10504	7.3
240.07663	8.7
247.07713	5.1
251.06886	10.6
251.10530	8.4
253.08447	29.5
255.06349	5.4
255.10182	5.3
257.11661	19.2
265.08505	6.7
271.13141	5.7
279.10049	5.2
283.09488	8.9
283.13242	6.8
285.10999	37.1
315.12167	19.6
317.13663	22.3
361.16425	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	361.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
55.01838	4.4
55.05476	11.3
57.07053	4.7
61.76265	2.0
65.03922	4.5
67.05470	14.4
69.03405	3.7
69.07036	19.9
72.08134	2.0
74.90211	1.9
78.04670	4.3
79.05459	26.5
81.07022	59.9
83.04939	4.0
83.08559	4.6
85.06501	12.7
91.04984	2.6
91.05444	48.5
93.07015	41.3
95.04922	18.1
95.08563	29.4
97.06464	2.6
97.10123	4.1
99.08063	2.5
103.05444	24.1
105.06979	24.2
106.04143	3.8
107.04910	54.6
107.08543	15.5
109.06506	4.9
109.10109	14.6
111.04412	2.2
111.08041	16.8
113.93501	2.2
115.05386	3.8
117.06955	8.2
119.04888	9.4
119.08499	3.7
120.05703	4.1
121.06458	25.9
121.10069	9.4
123.04363	15.8
123.08027	4.2
123.11646	12.0
124.05148	9.2
125.05954	3.4
128.06171	18.3
129.06953	53.1
131.04877	16.8
131.08485	16.2
133.02814	3.0
133.06429	8.4
134.03647	2.7
135.04340	3.3
135.07965	9.0
135.11607	4.7
137.05936	28.1
137.13174	3.1
139.11169	2.9
141.06958	2.2
145.06396	5.4
146.07216	3.3
147.04300	5.0
148.05167	4.7
149.05928	10.1
149.13225	3.8
151.03831	3.9
151.07489	29.1
152.04674	2.7
153.05386	9.9
155.46587	2.5
157.06454	24.0
161.04723	3.8
161.05933	39.7
161.09573	5.5
163.07527	20.6
165.06912	18.3
165.09033	12.1
166.06184	16.8
166.07513	2.8
167.06979	100.0
167.08438	11.8
169.06380	4.4
171.08017	3.5
174.06659	19.1
175.07449	10.2
177.06854	3.6
177.09019	2.8
179.08522	15.6
179.10439	2.3
181.06432	10.0
181.08517	81.7
182.07159	14.0
183.07939	4.0
189.09032	59.1
191.08484	8.3
193.06393	4.9
193.08517	2.7
194.07175	5.7
195.07997	20.3
196.08730	2.8
197.05867	3.7
197.09567	17.6
199.07410	5.3
207.08081	4.9
207.09949	7.1
208.08760	9.3
209.05881	3.4
209.09637	2.8
210.06642	10.3
211.07463	9.3
212.08345	3.4
219.07965	4.4
221.05856	4.6
221.09521	3.0
222.06726	3.9
223.07460	15.7
223.11047	2.5
225.09027	29.4
227.06931	14.8
235.07489	9.5
236.08168	4.0
237.09007	8.8
238.06110	4.3
239.06909	11.7
239.10474	4.3
240.07695	11.2
241.08374	5.5
242.09309	3.1
251.06831	4.8
251.10493	9.5
253.08498	18.5
254.09039	3.8
255.06519	3.0
255.09927	4.2
257.11597	21.7
268.07196	3.0
270.08533	3.4
279.09888	4.7
281.07977	2.9
283.09509	17.8
283.13110	12.5
285.07870	4.1
285.11053	36.5
289.25314	4.5
292.71869	3.0
297.11230	3.6
299.09045	3.7
300.09497	3.1
302.11374	4.0
307.26212	10.7
311.12546	4.5
315.12085	16.6
317.13809	20.1
331.15430	4.4
343.15149	11.9
361.16086	12.1
378.67630	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	361.1637
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.03925	2.5
54.16302	1.2
55.01851	3.3
65.03905	2.4
67.05464	3.3
69.07038	6.2
69.97745	1.6
70.45354	1.5
71.04948	1.7
78.04678	2.7
79.05472	21.0
81.07028	12.5
91.05447	46.7
93.07013	24.6
94.04166	1.7
95.04942	18.7
95.08569	6.2
103.05431	26.1
105.07006	25.7
106.04124	2.6
107.04929	49.4
107.08572	3.6
109.06506	3.6
109.10161	3.0
115.05424	7.0
117.06992	11.7
119.04892	10.9
119.08562	2.7
120.05712	2.5
121.02764	1.8
121.06471	38.9
122.03545	2.0
123.04357	14.7
123.11642	1.9
124.05168	8.4
125.05964	6.1
128.06168	15.5
129.06964	56.4
131.04927	13.1
131.08521	13.5
133.02835	6.9
133.06438	7.7
134.03654	1.9
135.04367	2.7
135.08028	11.2
135.11649	2.2
137.05937	32.1
138.03142	1.8
138.06735	2.1
141.06955	3.2
143.08493	1.7
145.06505	11.8
145.07481	2.0
146.03586	3.4
146.07182	3.1
147.04355	6.4
147.08092	2.4
148.05174	10.6
149.05956	10.6
151.03873	6.5
151.07513	26.6
152.04648	8.2
152.06119	3.9
153.05405	15.0
153.06689	2.5
153.12721	2.8
154.07695	3.3
155.05963	2.6
155.08522	3.2
157.06436	31.8
158.07230	2.6
161.05919	44.1
161.09515	13.0
163.07512	21.4
165.05638	2.4
165.06937	17.3
165.09053	8.6
166.06265	19.9
166.07631	3.6
167.06996	100.0
167.08463	7.9
169.10062	1.9
171.07967	1.9
174.06717	23.2
175.07474	10.9
177.05437	3.0
177.06955	6.9
177.09033	9.2
178.07619	2.3
179.07048	2.4
179.08510	15.9
180.05511	1.8
180.09221	2.0
181.04977	5.3
181.06462	9.7
181.08543	92.7
182.07288	15.8
187.07501	1.9
189.07266	2.6
189.09035	65.6
190.07733	3.7
191.08516	9.6
193.06432	9.5
193.08377	2.8
193.10120	2.5
194.07222	10.0
195.07983	19.3
196.08745	2.5
197.05939	3.4
197.09532	19.3
199.07451	6.3
205.06584	2.0
205.10170	1.9
207.08032	8.5
207.10147	8.7
208.08800	7.6
210.06708	16.1
211.07462	9.0
212.08217	3.4
213.09038	2.6
217.54865	1.8
218.07118	2.1
219.08015	10.6
221.06000	9.3
221.09572	2.3
222.06651	7.7
223.07579	13.6
223.11075	3.5
224.08250	4.0
225.05486	3.3
225.09042	28.5
226.09685	2.2
227.06978	10.3
235.07439	7.4
236.08340	9.7
237.05472	2.7
237.09027	7.2
238.06270	3.1
239.06947	8.8
239.10637	3.5
240.07733	9.9
241.08539	3.8
242.09213	2.9
243.10120	2.0
247.07620	2.6
250.09892	1.6
251.06766	6.7
251.10582	8.5
253.08466	18.8
254.09378	2.5
255.06396	7.1
255.10045	10.9
257.07983	2.5
257.11646	18.0
267.06403	3.7
267.10034	2.9
268.07101	2.4
269.08008	6.7
270.08777	7.3
279.10126	3.6
281.07901	2.6
283.09567	15.5
283.13150	11.7
285.07559	6.4
285.11121	33.8
297.11194	2.3
299.08932	9.0
299.12552	3.5
300.09790	2.4
301.14151	1.9
302.11371	6.2
311.12656	7.0
315.12152	17.9
317.13763	21.0
329.13708	3.5
331.15222	5.9
343.15189	8.9
361.16302	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	361.1637
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
52.25123	0.9
52.47264	0.8
53.03917	1.3
55.01837	1.9
65.03888	1.0
67.05472	1.8
69.03403	1.4
71.04949	1.4
79.05458	5.3
81.07025	3.6
85.02873	0.9
86.09689	1.6
91.05441	31.3
92.62734	1.2
93.06995	4.5
94.04158	2.1
95.04927	5.9
95.08559	1.0
103.05417	8.1
105.07001	8.8
106.95182	1.1
107.04920	23.7
107.08563	2.4
109.06481	4.0
109.10202	1.3
115.05421	5.5
117.06995	4.3
119.04903	20.7
119.08577	1.5
121.06451	10.2
122.03613	10.6
123.04369	1.6
123.08009	1.5
128.06137	3.3
129.06941	14.5
131.04892	7.4
131.08502	4.8
133.06441	4.2
135.08025	9.7
136.05176	1.6
137.05933	87.0
145.06438	5.0
146.07196	2.1
147.04384	9.2
147.08017	1.5
148.05170	6.3
149.05885	7.3
151.07500	44.6
152.06223	2.2
153.05484	1.3
157.06430	7.4
161.05919	100.0
161.09558	23.9
162.06718	2.0
163.07466	18.7
163.11174	1.2
165.06944	6.0
165.09044	1.5
167.06992	3.8
167.08507	8.5
169.06461	1.8
171.98328	1.1
174.06683	12.2
175.07420	7.9
177.09102	3.8
178.07658	1.7
181.06468	1.9
181.08527	4.4
182.07251	1.7
189.09030	51.7
191.06963	1.3
191.55568	1.3
193.06422	4.0
193.10052	5.1
194.07234	4.1
195.07945	16.4
196.08849	1.6
197.05891	2.6
206.07257	2.2
207.08170	2.9
207.10056	26.6
210.06639	6.4
211.07359	2.0
212.08261	1.9
219.10083	3.8
221.05965	7.4
221.09583	6.4
222.06674	1.4
223.07430	7.5
224.08226	1.5
225.09064	5.9
227.10550	15.6
237.09061	1.3
239.10530	1.4
240.07790	2.4
249.08948	2.5
253.08554	9.9
253.12093	7.8
255.10051	12.0
265.08325	1.2
267.10107	2.5
269.08035	3.8
281.11697	2.2
285.11182	8.9
287.12677	23.6
297.11053	3.6
298.11823	1.2
299.12534	2.2
313.14185	13.7
315.12204	1.2
331.15332	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	361.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	3.0
54.81086	3.2
55.01847	4.8
55.05487	4.0
57.11620	3.0
65.03891	3.0
67.05474	5.5
69.03398	4.4
79.05453	35.0
81.03331	3.0
81.07017	12.9
90.96394	2.9
91.05444	60.8
93.07005	30.3
95.04928	24.8
95.08552	4.2
103.05414	21.3
105.06989	27.5
107.04917	70.7
107.08558	5.5
109.06467	6.0
111.04398	4.3
115.05411	6.3
117.06973	15.7
119.04890	13.1
119.08509	4.9
120.05609	3.5
121.06442	33.3
121.10077	4.4
123.04368	15.6
124.05151	11.3
125.05923	5.3
128.06158	15.3
129.06938	48.6
131.04913	25.0
131.08527	29.0
133.06404	12.3
135.04372	3.5
135.08018	15.5
137.05925	40.9
145.06412	6.1
145.10072	3.9
146.03679	3.8
146.07260	4.0
147.04399	4.5
147.08023	5.2
148.05138	6.8
149.05931	11.6
151.03802	5.7
151.07491	25.9
152.04602	4.0
152.06071	3.9
153.05380	17.8
153.06937	4.6
155.05893	3.4
156.05632	3.9
157.06416	32.2
161.05931	49.5
161.09538	14.4
163.07501	26.3
163.11150	5.4
163.89067	3.2
164.11420	3.3
165.06882	21.9
165.09035	11.1
166.06187	16.7
167.06998	100.0
167.08470	16.3
171.08003	5.0
174.06689	25.2
175.07466	14.1
177.06943	4.8
177.09010	12.7
178.07709	4.2
179.08487	16.0
181.06435	15.3
181.08528	90.3
181.09990	5.6
182.07172	15.3
183.08000	10.9
189.07411	5.3
189.09036	74.8
191.08522	5.3
193.06451	5.5
194.07178	11.0
195.08069	24.9
197.05905	6.3
197.09517	20.1
199.07330	3.2
199.16876	3.5
207.04559	2.8
207.07953	14.2
207.10081	11.2
208.08752	11.8
210.06676	14.0
211.07449	15.3
212.08286	4.8
218.07159	3.1
219.07951	14.9
221.05910	12.1
222.06625	5.9
223.07439	18.8
224.08177	4.5
225.05440	5.5
225.09030	37.0
226.06049	3.3
227.06915	13.4
229.11989	3.2
235.07381	5.2
236.08228	6.7
237.08966	5.3
239.06888	11.2
240.07823	6.5
241.08430	6.3
251.06876	6.5
251.10498	10.7
253.08501	22.1
254.09290	3.7
255.06184	3.0
255.10020	12.0
257.11597	17.6
268.07047	3.9
270.08682	5.3
279.10168	5.3
282.08627	3.5
283.09521	22.2
283.12982	6.6
285.11127	48.3
297.10947	3.3
302.11227	4.8
311.12692	4.8
315.11975	21.7
317.13705	24.1
343.15189	16.0
361.16855	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0881
Annotation	Nitrovin
Peak:m/z	Relative Intensity
51.44534	0.6
55.05489	1.4
67.05476	1.0
72.08124	1.4
81.07018	0.8
86.09678	1.7
92.09333	2.9
95.08575	1.2
115.40887	0.8
116.43092	0.8
119.04949	1.3
122.04585	0.7
136.07562	1.0
147.04379	6.5
169.02574	1.5
197.04201	1.5
215.05241	4.9
240.33299	0.8
343.07944	1.6
361.08817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1096
Annotation	PD 169316
Peak:m/z	Relative Intensity
56.96524	1.3
61.02901	1.5
69.03400	2.6
69.64803	1.0
80.78220	1.0
85.02879	9.9
86.03165	1.3
91.05398	1.0
93.06928	1.1
93.85130	1.1
97.02877	2.5
111.04382	1.6
121.83872	1.1
125.30841	1.1
127.03869	2.1
135.04359	2.0
136.04649	1.2
137.06036	1.3
139.03851	6.0
140.04201	1.4
145.04878	1.2
163.03876	2.4
180.03918	1.1
181.04871	2.4
199.05664	1.8
247.07802	6.0
299.07379	1.4
345.60745	1.1
361.10907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1115
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03926	3.6
53.39581	1.5
54.80826	1.9
55.05498	1.4
56.96543	2.2
57.03413	1.7
65.11056	1.6
67.05469	2.0
67.67638	1.5
69.03416	2.6
69.60497	1.4
72.08127	2.7
85.02861	9.5
86.09664	4.0
95.04939	22.7
97.02826	2.1
98.90009	1.7
109.02843	2.4
113.35821	1.5
118.63504	1.5
123.04356	12.8
123.56250	1.6
125.02311	8.8
135.04372	2.4
140.04643	100.0
155.06982	22.5
156.12660	1.9
163.03867	3.5
168.88571	1.7
172.69615	1.9
181.04909	6.8
199.05971	24.8
221.04924	3.6
268.19019	1.8
361.10748	12.2
361.14679	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	360.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.4
55.05497	41.8
57.03406	2.0
58.85067	1.7
58.99984	1.6
59.04977	2.8
60.70905	1.9
65.86773	1.6
67.05482	75.5
68.46628	1.7
69.03423	4.1
69.07043	39.1
71.04968	100.0
71.61028	1.6
73.06528	3.5
76.18044	1.7
78.64635	2.0
79.05462	69.4
81.07028	56.4
83.04932	2.3
83.08582	24.1
85.06507	4.0
91.05445	30.7
93.07004	65.3
95.04959	7.6
95.08570	34.6
97.06490	10.4
97.10136	29.6
98.71752	1.7
105.06982	22.8
107.08560	50.0
109.06466	3.3
109.10125	50.3
111.08047	4.6
112.46862	2.1
117.06993	4.3
119.08548	20.6
121.10102	39.7
123.08075	1.9
124.88220	1.8
125.09570	20.1
127.37786	2.4
131.08551	11.6
133.10095	14.3
133.33670	1.9
135.08009	2.8
135.11632	11.1
143.08521	2.6
145.10060	4.4
147.11647	12.1
149.09618	8.3
149.13251	3.9
153.12714	24.2
155.10564	3.9
159.11679	8.9
161.13232	2.1
163.11119	2.1
173.11667	56.9
177.12669	2.0
188.23097	2.0
189.11224	15.3
195.13748	2.7
210.74821	2.2
227.16354	17.1
255.22125	2.2
257.18951	3.9
275.19965	42.0
293.20990	3.8
303.31488	2.1
307.22430	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	360.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71900	1.4
52.98483	1.7
53.03921	4.1
55.01858	3.7
55.05242	2.7
55.05496	62.8
56.96542	2.4
57.03400	2.2
57.07059	2.5
57.93531	1.4
59.04969	8.0
60.51346	1.6
60.93667	1.5
61.79910	1.5
62.05854	1.6
67.05482	100.0
69.03391	3.4
69.07043	55.3
71.04964	80.7
72.93768	2.1
73.06522	2.9
76.55044	1.8
78.94534	1.5
79.05465	94.6
81.07027	50.0
83.04946	3.3
83.08595	35.7
85.02884	2.1
85.06506	8.8
87.08058	3.3
88.57113	1.6
91.05443	38.9
93.07008	89.3
95.04922	8.1
95.08569	31.9
97.06505	15.0
97.10133	41.8
105.06996	35.2
107.04903	4.3
107.08562	69.2
109.06493	4.3
109.10126	84.9
109.10871	2.9
111.08048	8.6
113.96323	3.2
116.97159	3.2
116.98544	1.9
117.06944	2.8
119.08537	25.3
121.06432	3.1
121.10114	48.0
123.11670	3.1
125.09586	26.7
131.08487	7.8
131.97414	2.8
133.06528	1.9
133.10052	13.1
135.07996	3.1
135.11609	3.9
137.09535	3.4
145.10085	13.0
147.11649	10.9
149.09587	10.7
153.12695	32.8
155.08511	2.0
155.10632	7.4
159.11632	9.0
163.11166	3.8
171.11653	2.0
173.11670	83.3
173.13028	4.8
179.14243	3.4
185.13135	2.4
189.11183	24.8
194.02600	2.5
234.30089	1.8
248.32925	1.8
257.18857	2.3
259.68649	1.8
275.19955	46.4
293.21094	3.3
379.10419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	5.1
54.80879	3.2
55.01852	17.6
55.05498	87.3
56.96537	22.1
57.03140	3.1
57.03412	7.1
57.22475	3.2
59.04976	44.4
65.03912	7.9
65.09383	2.8
67.05154	4.9
67.05484	100.0
69.03413	18.1
69.07047	92.0
71.04966	62.1
73.02876	7.8
76.70509	3.1
79.05463	98.5
81.03393	23.8
81.07026	79.0
83.04932	14.7
83.08591	48.2
85.06519	6.2
91.05448	50.7
93.07009	64.5
95.04913	26.9
95.08582	44.6
96.05662	3.5
97.02884	3.7
97.06489	35.8
97.10122	62.6
98.97554	3.5
105.06996	43.8
107.04903	7.0
107.08566	56.9
109.06506	16.2
109.10118	29.8
110.51999	3.1
111.08055	4.6
115.07521	8.1
117.06989	6.7
119.08533	35.3
121.06395	4.3
121.10160	23.1
123.11676	3.6
125.09604	30.0
129.06956	6.6
131.08507	18.1
133.10057	17.4
135.07973	6.0
135.11627	5.0
137.09665	5.2
137.10753	3.4
143.08493	5.8
145.10037	7.8
147.07991	4.6
147.11664	13.7
149.09691	4.8
150.39078	3.6
153.12721	16.6
159.11652	4.8
171.11636	4.0
173.11708	31.8
174.24744	3.5
189.11133	18.0
194.02660	6.7
219.10327	3.6
223.13260	14.9
228.10826	6.2
228.60960	5.5
237.11362	54.7
237.61473	23.3
255.13075	4.2
264.13696	5.4
273.14139	4.1
273.18442	4.5
275.19965	15.9
278.98804	3.4
282.14651	5.1
304.30017	4.2
316.65814	6.3
325.19986	4.4
327.14447	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	360.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55365	1.7
50.63195	1.8
52.03561	2.1
53.00290	10.1
53.03926	4.3
55.01850	15.2
55.05495	99.4
56.96542	28.4
57.03411	12.1
57.07057	2.3
59.04979	42.2
65.03899	3.3
67.05479	100.0
69.03391	13.1
69.07046	88.8
71.04967	75.9
73.02893	5.0
73.06527	2.1
79.05016	2.7
79.05462	80.5
81.03391	18.8
81.07024	70.8
83.04955	12.1
83.08586	49.5
83.64970	2.3
85.06510	4.9
91.05441	50.1
92.09308	3.5
93.07010	58.5
95.04916	23.3
95.08558	33.8
97.06482	37.3
97.10128	59.7
100.48198	2.5
105.06987	41.6
107.04910	12.6
107.08556	55.5
109.06488	14.9
109.10117	44.2
111.08077	2.3
115.07552	16.3
117.06984	14.1
119.08544	26.4
121.06495	9.0
121.10088	25.8
123.07988	3.4
123.11665	2.5
125.09579	39.7
129.06929	4.2
131.08540	13.1
133.06447	2.3
133.10077	17.6
135.08052	5.1
135.11613	4.2
137.09604	5.7
145.10098	13.8
147.08005	3.4
147.11665	10.9
149.09558	5.3
153.12700	19.3
155.10703	2.8
157.10059	5.3
159.11655	4.2
161.09482	2.9
171.11583	2.3
173.11661	35.7
173.13100	3.8
185.13351	2.6
187.11252	2.4
189.11176	18.0
223.13261	9.8
228.10799	15.4
237.11339	44.5
237.14803	3.2
237.61525	12.3
238.23549	2.3
246.11954	3.1
264.13599	9.0
268.98572	2.2
273.14044	3.7
273.18420	2.8
275.19962	24.7
278.13382	3.2
307.65204	2.9
316.65924	4.1
325.20044	5.3
327.14606	3.2
380.96863	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	360.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
53.03921	0.2
55.01857	0.3
57.03415	0.8
58.09212	0.2
61.02901	1.7
67.05473	0.2
69.03396	1.4
70.90771	0.2
71.04977	0.3
72.08119	0.3
73.02889	0.2
81.03387	1.2
85.02879	8.8
87.04465	0.3
91.03912	0.2
91.05462	0.5
92.58811	0.2
95.04921	0.4
97.02844	2.2
103.05437	5.7
105.03298	0.2
108.22680	0.2
109.02850	0.5
117.03333	0.5
117.06959	1.1
117.51532	0.2
120.45327	0.2
123.04385	100.0
124.04716	0.4
127.03877	0.9
130.17693	0.2
131.04886	11.9
135.08002	2.5
139.03786	0.3
145.02811	0.5
145.04929	1.1
145.06430	2.7
146.03131	0.5
163.07481	19.7
177.05382	0.9
178.05751	1.0
180.08594	0.4
181.08548	6.2
198.11270	0.3
208.74509	0.2
224.05173	0.2
285.66428	0.2
325.52945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01890	0.3
53.03927	0.5
55.01860	0.5
57.03412	0.9
57.12920	0.3
59.29593	0.4
60.04506	0.6
61.02896	2.3
67.91201	0.3
69.03397	4.5
70.06563	0.9
70.17445	0.4
71.04959	0.5
72.08131	0.6
72.31812	0.4
73.02886	0.9
77.23425	0.4
79.05437	0.5
81.03393	0.7
81.07046	0.5
85.02876	13.2
86.09679	2.9
87.04459	0.4
89.03880	1.8
91.03896	0.6
97.02851	3.8
99.04395	0.4
103.05430	42.7
107.04902	1.0
109.02834	0.7
113.02361	0.6
116.06979	0.6
117.03339	2.6
127.03895	3.0
131.04878	100.0
132.68398	0.4
135.04359	6.9
135.08003	0.8
137.05956	0.6
145.02826	4.8
145.04973	2.0
147.04355	0.4
163.03838	32.0
163.07478	20.5
164.04080	0.5
180.06433	0.5
180.08653	0.6
180.10130	0.6
181.04906	6.3
198.11150	0.5
221.03113	0.6
275.06570	0.4
334.82507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
52.45024	0.2
53.03934	0.3
55.01850	0.2
56.40273	0.2
57.03424	0.7
61.02898	1.1
69.03410	2.3
71.04954	0.2
72.08117	0.2
72.26952	0.2
73.02882	0.3
75.67211	0.2
78.00578	0.2
81.03387	0.8
85.02882	7.5
86.00754	0.2
89.96751	0.2
90.04244	0.2
91.03911	0.3
91.05464	0.3
92.08763	0.3
97.02859	2.3
103.05435	5.4
106.99645	0.2
107.04901	0.2
107.08549	0.3
109.02854	0.5
117.03336	0.2
117.06975	1.2
123.04390	100.0
127.03884	1.0
131.04886	14.0
133.06387	0.3
135.04395	0.3
135.08008	3.2
137.05879	0.2
145.02827	0.9
145.04904	0.8
145.06459	2.5
146.03130	1.0
163.07494	19.6
177.05367	0.4
178.05769	1.0
180.08667	0.4
181.08537	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	360.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01601	0.9
55.01858	13.8
57.03421	14.4
61.02894	5.1
69.03030	1.6
69.03403	44.7
71.04948	3.2
71.83761	0.6
73.02898	7.6
81.03403	5.3
85.02874	100.0
87.04419	0.8
89.87647	0.7
91.03957	0.7
91.28963	0.7
97.02853	34.4
99.04409	9.1
101.02339	9.6
109.02842	7.0
114.01392	0.8
114.88764	0.7
115.03860	2.7
127.03870	72.3
139.03874	0.7
145.04915	41.2
147.65015	0.8
163.05952	11.3
180.08635	1.6
259.07993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.03405	2.4
62.92702	0.4
67.05466	1.1
68.99757	2.4
69.03403	0.8
69.07070	0.5
70.06565	5.2
79.05458	2.1
81.07015	3.3
83.01315	1.1
85.02865	2.6
89.28855	0.5
90.97401	0.5
91.05439	3.0
93.06995	1.2
93.27314	0.5
95.04919	4.0
95.08576	1.0
97.02860	0.8
103.05430	0.5
105.06969	4.4
107.04906	2.8
107.08582	4.0
108.03208	0.5
109.06469	0.7
109.07542	0.4
115.05423	0.7
117.03394	0.6
117.06993	5.7
119.04932	4.7
121.06454	6.4
123.04391	32.2
123.06779	0.5
127.03884	0.7
131.04883	0.6
133.06442	0.7
133.10100	2.3
135.04366	2.7
135.08009	6.6
135.11603	1.0
136.07526	3.5
137.05923	2.9
145.06439	5.0
147.04370	14.3
147.07968	0.6
148.05148	0.7
149.05905	5.5
151.03874	3.0
152.10660	0.9
157.06363	0.8
161.05927	2.7
161.09599	0.8
163.03841	2.7
163.07478	26.4
165.05385	7.1
167.06982	2.2
173.05910	13.2
175.07413	1.0
176.04613	1.1
179.06985	10.0
179.10612	2.4
180.11014	0.5
185.05920	1.0
187.07434	1.1
189.05345	1.0
190.08574	18.3
191.06961	100.0
197.11650	4.4
198.11971	2.7
203.07011	2.4
208.09621	100.0
209.15706	0.6
220.09602	1.1
230.11723	0.6
244.80360	0.6
260.63858	0.5
307.09399	0.6
325.10556	4.3
342.13245	3.6
343.11942	0.7
360.14221	29.1
363.37292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17317	0.2
55.73404	0.2
57.03409	0.4
61.02888	0.4
67.64575	0.3
69.03410	1.6
79.05447	1.0
81.03392	0.5
85.02869	5.0
85.41449	0.3
89.03883	3.8
91.36960	0.2
93.94453	0.2
97.02840	1.2
98.48266	0.2
99.81239	0.2
107.04925	2.3
111.04388	0.3
117.03333	6.0
119.04915	0.3
127.03801	0.3
135.04364	17.8
139.03835	1.5
145.02800	15.4
145.03951	0.5
145.04881	0.3
152.06152	0.3
163.03836	100.0
181.04881	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	360.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45143	0.2
55.00708	0.2
55.01837	0.2
57.03407	0.4
61.02899	0.3
63.33320	0.2
66.97489	0.2
69.03392	1.3
69.96123	0.2
75.12644	0.2
78.65961	0.2
79.05453	0.5
81.03385	0.3
85.02869	4.1
86.09666	0.4
89.03869	4.4
95.65752	0.2
97.02833	1.0
107.04916	2.5
109.02840	0.2
117.03329	6.2
127.03831	0.4
133.54131	0.2
135.04367	18.0
145.02798	17.3
145.04724	0.5
161.07637	0.2
163.03836	100.0
164.04132	0.4
165.04535	0.2
181.04884	26.9
294.57080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
56.96545	0.8
57.03417	2.2
61.02889	2.2
62.26481	0.5
67.05473	0.5
69.03391	5.4
71.04967	0.7
72.08112	0.9
73.02888	0.5
79.05473	0.8
81.03385	2.2
84.08138	0.6
85.02874	14.3
86.09656	0.9
89.03876	4.7
91.03872	0.7
91.05441	0.6
92.09277	1.0
95.04941	0.7
97.02845	6.0
99.04433	0.8
107.04918	2.4
107.08587	0.7
109.02837	1.0
111.04443	0.6
113.06039	0.6
116.98611	0.7
117.03328	7.3
121.06444	0.6
125.34230	0.5
127.03883	2.3
128.04272	0.6
131.04897	1.1
135.04366	19.8
135.05399	0.6
135.08012	1.2
139.03850	0.5
145.02794	13.0
145.04922	2.5
147.04355	0.9
147.07964	0.7
152.10619	0.6
153.05371	0.6
163.03838	100.0
163.07420	4.3
167.06960	1.3
180.08675	0.9
180.10089	3.8
181.04878	19.9
185.13097	0.5
197.08032	0.6
198.11258	2.2
213.04121	0.6
237.02734	0.9
273.57935	0.5
317.78589	0.6
360.13037	2.3
365.05377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49963	0.2
53.03936	0.3
57.03424	0.3
61.02903	0.4
61.66385	0.2
62.13744	0.2
65.03915	0.4
68.29485	0.2
69.03397	1.3
79.05478	0.3
81.03369	0.3
85.02870	3.6
91.05449	0.3
95.04926	0.4
97.02840	1.2
107.04951	0.2
119.08561	0.3
121.02814	2.6
127.03883	0.8
133.02800	3.5
133.06483	0.3
135.04353	2.8
147.04329	0.2
149.02295	100.0
150.02751	0.3
163.03845	68.4
167.03340	1.0
181.04884	15.6
209.54196	0.3
264.55212	0.2
330.48087	0.2
361.08771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2932
Annotation	24:5 (n-3)
Peak:m/z	Relative Intensity
53.03917	3.6
53.69021	2.6
55.05487	19.6
57.03412	3.0
57.07051	6.8
67.05486	30.7
69.07036	33.8
71.08590	2.7
79.05460	28.3
79.82693	2.7
81.07023	91.5
82.07369	7.0
83.08588	14.0
85.06495	5.1
91.05445	22.9
92.05724	3.0
93.07012	84.8
94.07317	3.8
95.04927	14.8
95.08575	92.2
96.05293	3.9
96.08896	4.6
97.06461	5.7
99.08063	5.7
105.06378	4.4
105.07004	57.9
107.07885	5.5
107.08559	100.0
108.02079	3.2
109.06528	4.6
109.10124	58.7
111.08059	4.7
111.72003	3.5
116.84793	3.1
117.06963	7.1
118.85049	3.2
119.08545	70.1
121.10101	60.7
123.11698	23.3
129.06967	5.5
131.08521	29.0
133.10085	52.9
135.11659	34.0
137.13219	14.5
138.13524	11.1
142.07722	5.3
143.08508	15.3
145.10098	41.8
147.11641	45.7
149.13216	25.3
151.11188	6.7
157.10085	18.8
159.11624	36.8
161.13199	33.3
162.06625	5.5
163.11118	4.1
163.14734	16.6
169.09967	4.4
171.11626	6.4
173.13234	22.2
175.14745	20.1
177.16306	12.1
179.14270	4.8
185.13197	12.6
187.14775	17.6
189.16354	23.0
191.17937	4.3
199.14752	4.3
201.16357	5.6
203.14355	4.9
203.17899	5.9
205.15862	4.8
211.14778	3.9
213.16444	10.8
215.17787	4.3
217.15712	3.9
217.19467	4.7
227.17836	7.4
229.19324	6.2
253.56889	3.3
256.99399	3.3
271.20575	5.9
288.23956	4.6
298.08142	14.7
323.27164	17.6
341.28223	62.4
359.11148	23.3
359.29285	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.4
53.03922	2.4
55.01844	3.0
55.05490	34.5
57.03416	3.0
57.07050	12.7
59.04979	1.7
60.22546	1.2
64.75004	1.4
65.03924	1.9
67.05477	34.7
69.03395	7.3
69.07039	73.3
71.04963	8.3
71.08605	5.3
79.05463	27.9
81.07019	100.0
83.04947	8.6
83.08575	21.7
83.77198	1.2
85.06506	2.1
87.04407	2.0
88.17790	1.3
91.05438	21.7
92.08724	2.8
93.06998	78.7
93.07586	2.9
95.04937	16.3
95.08566	69.5
97.06466	11.1
97.10117	5.3
99.08036	2.5
105.06986	30.0
107.08547	39.5
109.06475	20.0
109.10120	38.4
111.08031	13.9
111.11677	3.0
117.06993	2.8
119.08528	24.6
121.06457	6.9
121.10098	44.1
123.08024	7.7
123.11644	19.5
125.05988	1.6
125.09572	3.1
131.08521	6.9
133.10080	16.6
135.08015	2.6
135.11647	8.3
137.09563	7.8
137.13205	7.1
138.14417	1.4
139.07489	1.7
139.11128	8.7
143.08614	1.7
145.10083	8.6
147.11595	11.0
149.09557	2.8
149.13231	7.4
151.11102	1.8
153.12683	2.2
157.10042	2.2
159.11655	3.1
161.09569	3.2
161.13210	3.0
163.14740	1.6
165.16325	1.5
167.10649	6.7
173.13133	4.7
175.11069	1.8
175.14706	1.8
183.17424	1.6
189.16371	2.9
193.15778	2.3
201.16313	1.9
213.16232	1.6
286.88998	1.6
287.23599	6.7
293.24722	2.2
299.05389	2.5
305.24728	16.0
315.08401	4.8
323.25705	7.7
343.07886	10.0
344.08737	6.6
359.10989	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	359.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48428	1.5
52.55122	1.4
53.03941	1.8
55.01852	7.7
55.05490	15.8
57.03419	3.1
57.07071	3.5
59.04963	3.6
62.19722	1.9
65.03899	3.3
67.05483	40.6
69.03400	8.4
69.07043	56.2
69.89674	1.8
71.04964	10.6
79.05460	24.6
81.03374	2.4
81.07025	100.0
83.04975	3.5
83.08582	2.7
85.06509	12.8
87.04440	3.2
91.05444	22.0
93.07008	89.8
95.04936	26.5
95.08568	93.0
96.50283	1.9
97.06498	13.5
99.08072	1.9
105.04526	1.7
105.06998	36.3
107.08556	36.2
109.06477	11.8
109.10123	28.2
110.03606	2.6
111.08054	22.9
111.11694	3.0
117.06994	3.2
119.08537	26.0
121.10110	39.5
123.08070	6.4
123.11658	33.5
125.05956	3.3
125.09576	8.1
127.11105	1.8
131.08571	2.4
133.10039	14.6
135.11617	16.7
137.09616	4.2
137.13197	7.8
139.11166	10.4
145.10065	8.9
147.11674	14.7
149.09547	3.6
149.13210	10.2
151.11153	3.0
153.05415	1.9
153.12653	4.3
157.10063	3.7
159.11659	10.4
161.13187	3.8
161.86380	1.9
165.12669	2.9
167.10603	2.4
173.13156	2.6
181.04964	2.1
187.14812	2.4
189.16402	4.1
201.16331	3.0
213.16457	1.9
238.09821	3.2
240.07643	2.8
253.08496	6.8
253.12289	1.9
255.10173	3.7
269.07706	2.1
269.22656	2.9
275.23639	2.6
281.08218	2.6
283.09528	3.7
287.23581	10.3
293.24661	9.4
299.43262	2.2
305.24686	18.1
313.10617	9.1
313.14093	3.3
323.25769	12.3
327.12289	8.4
341.13837	3.6
359.14728	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	359.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.7
55.01843	8.0
55.05244	2.1
55.05493	38.8
56.96552	2.8
57.03411	3.1
57.07056	15.5
59.04976	2.3
67.05484	34.9
69.03394	5.7
69.06677	2.4
69.07042	68.0
71.04948	6.8
71.08591	3.3
79.05460	21.4
81.07023	100.0
83.04946	14.1
83.08593	20.9
85.06500	8.0
87.04437	1.8
91.05442	24.8
93.07008	81.4
95.04929	18.1
95.08568	76.7
97.06498	14.2
97.10123	7.1
99.08037	1.6
105.06998	27.9
107.04911	1.7
107.08551	36.5
109.06494	20.5
109.10124	40.6
111.08035	22.0
115.07502	1.6
117.06944	1.9
119.08531	26.4
121.06416	6.4
121.10101	34.8
123.08019	6.1
123.11667	19.6
125.05890	1.8
125.09602	6.0
129.06934	2.7
131.08499	10.1
133.10100	16.0
134.03758	1.4
135.08040	1.7
135.11647	10.6
137.05917	3.2
137.09596	7.4
137.13205	9.7
139.07507	5.8
139.11095	2.7
143.08502	1.5
145.10051	7.0
147.11636	13.7
147.73413	1.5
149.09552	2.6
149.13232	11.6
151.11177	2.6
155.08521	1.4
157.10100	3.0
159.11662	6.0
161.13202	5.4
163.11127	2.9
163.14777	2.5
165.12660	2.9
167.10565	1.7
171.11650	2.1
173.13130	2.6
175.12917	1.3
175.14778	2.9
175.28528	1.7
177.12642	2.4
181.13435	1.6
189.16336	6.9
199.14523	1.6
213.16269	1.8
243.21039	2.6
269.22504	2.3
275.23679	1.9
276.93600	1.5
277.25519	1.9
282.36566	1.6
287.23495	6.7
293.24612	6.1
305.24594	22.5
314.19556	2.1
323.25714	14.0
357.58401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.169
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03923	1.4
55.01854	1.5
57.03406	2.7
59.04975	1.0
59.32177	1.2
61.02901	2.7
67.05481	5.4
68.04987	1.5
69.03391	11.7
69.07014	2.0
70.06568	2.0
70.91463	1.1
71.04961	2.2
73.02895	1.8
74.25094	1.1
79.05427	2.7
81.03379	7.6
81.07026	6.9
85.02874	36.0
85.06485	2.3
86.06020	6.9
86.09682	1.7
91.05440	12.8
93.07007	23.7
95.04919	3.1
95.08558	5.8
97.02868	9.2
97.06474	1.6
99.04411	2.0
105.06986	21.3
107.04902	1.2
107.07884	2.3
107.08556	41.9
107.09231	2.5
109.02844	5.6
109.06474	3.0
109.10126	5.9
113.64712	1.2
117.06980	2.6
119.08521	8.8
121.06452	5.0
123.04355	1.5
127.03845	6.7
128.47423	1.1
131.08542	1.8
133.10074	49.9
133.11653	1.3
135.11646	37.5
137.05927	3.0
137.09560	1.9
145.02817	3.1
145.04897	2.4
151.11049	2.0
153.09108	1.5
161.09567	20.2
177.05420	2.7
179.10605	56.5
179.14201	2.0
197.11664	100.0
197.57111	1.4
228.71895	1.4
359.16779	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.8
53.03921	2.2
55.01845	1.6
55.05494	31.7
57.03425	3.9
57.07062	11.0
58.92855	1.0
59.04976	2.4
65.03918	1.7
67.05482	31.3
68.33839	1.3
69.03394	8.0
69.06681	2.2
69.07043	57.0
71.01381	0.9
71.04962	8.5
71.08614	1.6
73.06532	1.7
79.05457	22.2
81.07024	100.0
83.04931	8.2
83.08592	19.7
85.02858	1.3
85.06522	10.7
87.04430	2.0
90.53516	1.0
91.05444	22.4
93.07008	83.7
95.04935	21.2
95.07944	2.4
95.08568	71.4
97.06485	11.7
97.10133	7.1
98.53493	1.1
99.08052	1.8
103.05441	1.7
105.06991	27.7
107.04906	1.1
107.08559	41.6
109.06477	17.2
109.10117	31.3
111.08052	16.9
116.98594	1.0
117.03290	1.2
117.06963	1.6
119.06007	1.1
119.08541	20.5
121.06467	4.8
121.10105	40.4
123.08028	6.4
123.11659	25.6
125.09552	4.3
131.08542	8.0
133.10068	12.0
135.07983	4.4
135.11641	13.4
137.05936	1.5
137.09566	4.2
137.13226	7.4
139.07491	1.2
139.11134	5.4
141.80916	1.4
143.08485	1.6
145.10089	7.3
147.07944	1.4
147.11633	15.6
149.09561	2.1
149.13220	11.2
151.11134	2.4
157.10046	1.7
159.11671	8.1
161.09517	1.3
161.13190	5.0
163.11150	1.6
163.14801	1.8
165.12758	4.1
167.10622	2.4
171.11557	2.5
173.13133	4.0
175.14764	4.7
185.13098	1.4
187.14790	1.4
189.12683	1.3
189.16258	1.6
199.14810	1.5
201.16322	1.9
213.16383	2.1
218.05511	1.7
227.17883	1.2
259.24167	1.7
269.22537	4.7
284.14005	1.3
287.23557	5.5
293.24673	4.3
305.24655	22.5
323.25717	12.4
359.10971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1329
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
52.28477	0.4
53.03948	0.4
56.96551	0.8
57.03405	2.3
57.20600	0.4
61.02895	1.7
61.83138	0.4
66.04688	0.5
69.03398	3.6
70.06554	1.0
72.08139	0.5
73.02885	2.5
80.82781	0.4
81.03383	0.7
83.04940	0.6
85.02876	9.2
87.04450	0.5
89.03876	0.4
91.05453	9.6
91.85895	0.4
94.04157	2.5
97.02865	3.1
98.97549	2.6
103.05423	1.0
107.04929	1.8
112.07545	0.4
115.03940	0.5
116.98592	1.7
119.04903	19.4
122.03605	5.5
123.04472	0.5
127.03879	1.0
131.04878	1.9
133.05008	0.5
135.04361	2.2
136.04834	0.4
137.05939	100.0
145.02745	0.6
145.04880	0.5
147.04372	31.6
148.04614	0.4
149.05928	0.5
151.07503	0.8
153.38362	0.4
158.99617	0.5
161.08011	0.8
163.03859	5.5
164.04228	0.6
165.04242	0.6
179.06963	13.3
188.86870	0.4
189.64952	0.5
197.08038	2.0
219.01848	0.5
237.02802	1.7
240.20393	0.5
249.30341	0.5
250.45979	0.5
335.09064	0.5
359.13791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.148
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.01854	6.1
56.75517	3.7
65.03911	18.7
67.05483	4.4
79.05466	5.4
81.07031	8.5
83.12189	3.7
91.05441	7.0
92.09377	3.7
93.03371	6.0
93.07018	6.3
95.01271	4.0
95.08562	18.2
96.66479	3.2
105.06963	6.1
107.04916	7.0
107.08532	6.7
110.03607	15.3
111.04418	7.1
111.08165	3.1
115.05452	3.7
119.08514	4.0
121.02827	35.6
121.10086	8.0
125.05915	32.5
129.06946	4.6
131.04893	3.9
137.05968	4.7
138.03056	3.1
145.06531	5.1
149.02342	13.8
153.05428	28.7
153.06940	6.9
159.08037	6.4
161.09564	5.8
165.06924	14.1
167.08554	5.0
169.06458	5.2
178.07687	5.4
179.08467	6.9
181.04878	26.7
181.06468	17.2
182.07224	8.2
183.08017	7.8
184.05109	5.7
187.07375	3.9
191.08539	4.6
193.10031	5.0
194.07280	13.0
195.07924	25.9
197.05946	15.1
203.08575	3.6
206.07228	14.1
207.07959	14.9
209.05913	5.8
209.09589	5.5
210.06711	29.2
211.07402	26.6
211.11267	4.1
212.08241	15.3
214.20390	3.4
220.08733	6.0
221.06009	6.1
221.09535	19.2
222.06685	13.8
223.07452	29.1
224.08237	14.4
225.08980	26.7
227.06946	33.7
227.10533	4.8
234.06834	6.5
235.07481	8.4
237.05287	5.9
237.09076	17.6
238.06175	17.2
238.09773	16.8
239.07039	32.5
239.10474	12.8
240.07706	61.3
241.08577	6.2
242.05598	4.9
249.05275	4.7
249.08974	15.4
251.06934	23.2
252.07793	19.1
253.08514	83.1
253.12155	22.2
254.05583	4.2
254.09262	5.9
255.06343	21.7
255.10158	31.9
257.08014	19.9
265.08453	7.5
266.09338	15.1
267.06619	6.2
267.10083	18.2
268.07181	16.3
269.07990	21.2
269.11221	3.5
270.08783	14.3
277.08386	4.4
281.08005	23.1
281.11642	22.7
282.08780	6.7
283.06168	7.4
283.09515	37.2
284.10251	12.5
285.11243	6.0
285.14810	4.5
294.08670	5.0
295.09607	7.6
297.07660	4.5
298.08484	4.5
298.11957	6.5
299.12711	26.9
300.09726	20.3
309.11099	20.9
310.11923	5.7
313.10587	80.7
313.14252	40.7
327.12177	88.3
331.15311	20.2
341.13858	32.6
359.14688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1116
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
65.57304	0.3
74.88406	0.3
76.99973	0.3
81.08343	0.3
87.04422	0.5
92.09331	0.8
93.20610	0.4
119.18244	0.4
138.72495	0.3
167.03297	3.2
168.04141	0.4
188.73186	0.3
219.99435	0.4
225.05423	0.3
226.06084	0.4
230.05670	0.5
235.72655	0.3
243.06451	1.6
244.07176	0.4
254.05614	1.4
256.07254	2.0
267.06390	6.2
268.07190	1.8
269.07983	52.3
270.08762	13.2
271.05991	0.7
272.06726	4.6
273.07483	0.6
283.05899	2.2
285.04260	0.3
285.07452	1.4
286.04654	2.0
297.07440	8.0
298.08261	22.4
299.05545	0.6
300.06235	4.1
301.06961	8.9
313.06943	35.7
314.03958	0.6
315.04858	3.3
315.08493	7.1
325.06931	12.8
326.07733	2.8
327.04910	3.8
329.06445	36.9
330.06888	0.6
343.08002	19.1
344.08820	2.2
359.11115	100.0
360.11383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23755	1.1
55.05496	14.7
56.96537	1.9
57.03428	2.0
57.07052	3.6
59.04900	1.5
67.05485	19.9
68.45059	1.4
69.07055	21.5
70.56995	1.3
71.04958	7.0
79.05474	18.7
81.07028	66.0
82.07359	2.6
83.04961	1.6
83.08591	6.1
85.06524	3.0
88.39983	1.5
90.69481	1.3
91.05443	20.1
93.07012	53.3
94.07347	2.4
95.04934	21.6
95.08567	59.4
95.09138	2.7
96.08918	2.7
97.06535	2.7
97.10157	1.8
99.08054	7.1
105.07004	27.6
107.08552	50.0
108.02091	9.9
109.06525	2.0
109.10131	29.6
111.08031	3.5
111.11732	2.2
117.06972	6.3
119.08563	33.4
121.10110	29.8
123.08018	2.8
123.11661	19.7
125.09641	1.6
129.07004	3.1
131.08543	11.0
133.10094	24.6
135.11655	24.7
136.01541	2.4
137.13194	21.7
139.11168	1.9
143.08545	5.6
145.10091	21.9
147.04413	2.9
147.11649	29.5
148.11902	1.7
149.09607	1.8
149.13246	9.4
151.11128	2.9
153.12724	1.5
154.02570	8.3
157.10045	12.9
159.11652	21.7
160.94498	1.8
161.13193	18.0
162.06683	29.2
163.07518	9.1
163.11061	2.3
163.14729	7.9
165.05420	7.9
165.12685	2.7
171.11650	7.2
173.13225	9.9
175.14746	13.1
177.16330	6.5
179.14249	2.6
181.06468	1.9
183.11528	2.0
185.13261	6.9
187.14775	7.6
189.16353	11.3
197.13231	1.7
199.07477	1.5
199.14824	3.3
201.16406	5.9
203.14272	1.8
203.17928	3.4
205.15889	1.7
211.07529	1.6
213.16408	6.6
215.17897	3.4
217.19484	1.9
227.17928	2.9
239.02246	2.7
253.19553	2.0
254.05617	2.4
257.03110	2.5
270.08865	6.2
282.05096	2.7
288.23895	2.1
290.70673	1.6
295.08459	2.6
298.08264	66.9
305.24677	5.9
306.25058	2.6
310.04599	2.5
313.09586	3.1
315.08420	2.0
323.27200	9.5
326.07739	49.9
328.05865	1.7
329.06302	2.3
341.28293	32.0
343.07974	19.2
344.08740	15.1
359.11145	100.0
359.29260	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	359.1116
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.49645	0.6
56.96541	1.5
59.40318	0.7
63.38420	0.6
93.07001	1.5
95.04907	0.8
105.07032	0.9
107.04916	0.7
119.08539	0.9
121.06490	0.9
131.00084	0.7
142.27071	0.6
149.01169	1.4
149.05948	2.7
151.07478	5.6
164.08322	6.7
165.01784	0.8
165.09058	1.0
165.85625	0.8
172.08578	0.6
181.01060	0.7
254.05635	0.8
271.05872	5.1
283.05923	2.6
286.04602	1.4
286.08401	1.0
298.08109	1.0
299.05389	13.9
300.06049	6.5
301.06989	1.7
311.05414	5.1
314.03998	3.0
314.07559	2.0
315.05121	1.1
315.08453	27.8
326.08109	1.0
327.04843	6.9
327.08591	5.4
328.05676	8.9
328.09280	1.0
329.06354	5.0
330.07214	6.3
335.17249	0.7
343.03781	1.8
343.07983	59.8
344.08737	32.8
359.11105	100.0
360.11478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
55.12881	0.7
56.05007	1.5
56.96549	1.7
57.03404	1.3
59.04975	12.6
67.04702	0.8
69.03413	1.7
69.76043	0.8
70.06567	1.5
73.57858	0.8
79.05468	4.7
79.29379	0.9
80.04975	0.8
81.03376	1.6
81.07033	10.5
82.06550	16.6
83.04965	0.9
85.02886	1.6
87.04436	42.7
89.05997	77.2
91.05435	7.6
94.06513	1.0
95.04913	1.9
96.08102	5.4
97.08860	11.8
98.09665	1.9
99.08073	1.0
103.03906	100.0
103.07551	4.0
107.04938	1.7
107.07025	4.3
109.02899	0.9
111.04433	1.2
114.05492	1.5
114.09152	1.1
119.04897	8.8
120.08058	1.2
121.02914	1.1
121.08580	1.2
122.06036	1.2
122.09647	1.3
123.04420	1.5
124.07531	3.8
131.07024	6.1
133.02827	1.3
133.06519	1.1
133.07588	1.7
133.08556	25.9
135.04442	1.5
140.07005	1.7
143.00168	1.5
147.04375	25.0
147.06412	7.3
150.05519	1.2
150.34462	0.9
152.07040	1.8
163.03897	1.4
163.09575	1.6
168.06520	1.1
175.09590	4.6
177.11140	6.4
179.03351	24.9
181.79405	1.1
191.09108	3.7
195.02951	1.3
195.06198	3.7
196.03127	1.4
196.06393	1.2
196.09415	4.9
207.12204	3.7
214.07028	1.5
232.08113	1.8
235.11710	5.4
242.46243	1.1
257.03375	1.6
284.06390	0.9
286.16376	1.0
295.17380	2.2
312.14325	5.5
313.18558	2.2
323.16855	1.8
341.17944	30.2
352.37308	1.1
358.15005	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
56.96541	3.7
67.05462	2.0
69.03399	3.4
79.05480	2.2
79.45473	1.8
85.02879	5.3
89.03919	3.3
91.05438	4.5
95.04942	3.2
97.02788	3.6
107.04895	4.0
117.03326	4.1
118.03692	3.6
119.04893	16.6
123.04383	14.6
133.06410	2.6
135.04353	14.6
136.04709	4.4
145.02805	4.7
146.03111	2.4
147.04373	60.1
161.05974	3.6
163.03842	33.6
164.04175	27.1
165.04340	15.5
166.04668	3.1
170.04886	2.5
188.05893	9.9
189.05357	3.9
196.03654	76.1
206.07022	2.5
214.03897	9.1
217.04956	4.8
232.04840	13.9
263.05380	4.8
323.07529	3.8
336.13608	2.4
358.08841	100.0
358.13284	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	358.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90279	1.4
53.70809	1.1
55.46369	1.2
55.47090	1.3
57.23704	1.1
64.11774	1.4
69.03400	2.6
76.56036	1.5
79.55821	1.3
81.39999	1.4
85.02865	1.9
98.97581	5.3
119.37137	1.4
138.60159	1.4
172.49686	1.6
182.58383	1.3
196.03661	75.3
199.62796	1.3
239.04379	2.0
249.40262	1.7
358.08856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39038	1.3
53.03922	2.9
55.01859	3.7
55.05498	6.6
56.96538	8.2
57.03421	50.6
59.04972	2.7
59.82199	1.3
60.04500	1.6
60.93105	1.3
61.02912	10.9
67.05460	1.2
69.03033	2.6
69.03406	76.8
70.06567	1.7
71.01334	1.3
71.04968	2.8
73.02885	24.1
73.06516	2.3
75.04452	6.2
81.03382	8.6
83.04953	16.8
85.02877	100.0
86.83118	1.2
87.04438	47.0
89.03915	1.8
89.05991	2.1
91.03929	7.6
91.05457	5.5
97.02856	57.3
98.97572	3.3
99.04414	2.1
101.05976	18.6
107.04945	2.9
109.02850	6.8
109.96339	1.5
111.04378	3.1
115.03891	39.2
115.07531	11.1
116.98593	2.4
117.05463	2.3
119.04910	10.8
121.06451	9.8
123.04388	9.8
127.03908	23.5
128.98537	2.0
129.05428	3.4
131.04938	2.0
133.04916	37.1
135.04350	9.7
136.04752	3.4
136.06099	1.7
137.05960	24.1
143.06999	10.2
145.02782	1.6
145.04929	29.3
147.04385	27.8
147.06479	2.6
148.07547	2.2
150.05484	1.6
161.01225	1.7
161.05865	2.0
161.08023	17.4
163.03854	21.3
163.05919	10.8
164.04149	15.1
165.04388	6.1
166.04614	3.3
177.00600	1.7
179.07103	3.2
179.09009	5.5
196.03683	3.2
223.01120	1.9
237.02704	2.0
259.08002	2.7
295.10187	2.0
323.07303	1.9
358.09818	2.0
358.14151	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	357.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92934	1.7
53.00285	1.8
53.03922	3.6
53.19950	1.5
55.01871	2.1
55.05494	10.4
55.53233	1.5
57.03409	2.1
57.07055	3.6
59.04981	2.9
61.77740	1.7
62.89246	1.7
67.05485	26.8
69.03408	10.9
69.07041	31.6
71.04984	16.8
71.56997	1.9
72.56142	2.1
79.05461	20.5
81.07030	49.7
83.04983	2.6
85.02887	2.0
85.06504	2.7
85.40828	2.3
87.04392	2.6
91.05453	18.7
93.07011	100.0
95.04938	38.1
95.08572	44.9
96.37243	2.0
97.06520	16.9
97.10144	2.5
105.07010	24.3
107.08569	38.4
109.06497	11.4
109.10129	22.2
111.08067	14.1
117.06999	3.9
119.08548	19.1
121.06477	4.4
121.10113	51.7
123.08054	7.4
123.11642	8.3
125.09630	8.1
131.08548	8.4
133.10107	9.6
135.08005	2.2
135.11664	16.2
137.05951	2.6
137.09564	4.4
139.11160	14.1
143.08549	3.7
145.02762	2.7
145.10075	17.3
147.11633	3.6
153.12743	8.2
157.10098	9.8
159.11664	13.9
161.13269	2.4
163.03877	2.2
163.11124	8.3
167.10664	4.7
173.13113	7.5
181.12181	3.9
187.14796	2.4
197.00597	2.1
199.14832	4.0
221.65317	2.1
235.16779	4.3
235.70570	2.1
285.22128	8.9
303.23053	12.1
309.24091	3.3
321.24039	17.3
381.28549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05467	0.4
67.08079	0.4
69.72242	0.4
81.07011	1.9
87.70801	0.5
93.06976	0.5
95.08585	0.7
107.04948	0.5
107.08524	0.7
121.06491	0.5
170.29152	0.5
184.58194	0.4
190.41705	0.4
190.92970	0.4
227.39922	0.4
357.18689	100.0
358.19073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70662	1.3
55.05484	10.4
57.03421	3.2
57.07052	1.8
59.04970	4.1
66.47207	1.5
67.05480	21.5
69.03399	11.4
69.07036	40.3
71.04966	18.9
72.99477	1.6
73.97494	1.6
79.05450	19.6
81.07021	47.4
83.08591	3.6
85.06490	1.9
87.32793	1.6
89.42429	1.8
91.05460	20.3
91.20856	1.8
92.08689	2.5
93.07009	100.0
95.04931	38.1
95.08566	48.7
97.06480	11.8
97.10139	2.0
99.08044	2.2
105.07000	31.7
107.08559	34.1
109.02903	2.0
109.06474	9.8
109.10121	29.0
109.45964	1.6
111.08030	12.8
117.06966	3.0
119.08511	20.0
121.10094	47.2
123.07996	8.6
123.11662	9.8
125.09612	8.1
127.11113	2.7
129.06943	2.4
131.08510	8.0
131.61591	1.7
133.10104	9.7
135.08009	2.3
135.11618	14.9
137.09534	7.1
139.11150	15.5
143.08481	3.8
145.02861	1.9
145.10086	16.3
147.11632	10.2
149.09540	3.0
149.12988	1.8
151.11105	2.5
153.12680	7.7
157.10091	9.6
159.11642	10.1
161.13171	2.6
163.03847	2.4
163.11093	3.8
167.10651	2.3
169.10007	3.6
171.11641	3.7
173.13206	7.0
175.14742	1.9
177.12621	2.3
181.12198	9.1
183.28391	1.9
187.14792	2.8
189.16251	2.0
199.14764	8.0
213.16162	1.8
215.17679	1.7
217.15776	2.5
267.21075	2.3
273.79913	2.2
285.21988	8.5
303.23093	12.1
307.09378	2.0
309.24161	3.6
321.24207	18.3
357.18729	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	357.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	8.8
55.05482	4.7
62.90898	1.0
65.03925	5.7
67.05476	17.0
69.03410	6.8
69.07041	1.9
71.04955	2.3
73.02885	9.9
74.20053	1.1
79.05443	14.1
81.03399	1.6
81.07016	15.6
83.04944	8.4
85.02865	1.7
85.06523	1.2
91.05440	23.5
93.03358	2.2
93.06995	15.1
94.87175	1.2
95.04919	6.7
95.08566	13.7
97.06493	2.8
99.04396	1.4
103.05446	2.7
105.06990	42.1
106.04147	6.1
107.04917	5.1
107.08550	12.2
109.06480	5.1
111.04424	4.4
115.05408	6.6
117.03352	1.5
117.06963	14.9
118.04066	1.7
119.04867	2.1
119.08528	39.7
121.06445	5.5
121.10097	7.8
122.03606	10.6
125.05964	2.7
128.06171	10.3
129.06961	18.1
130.07745	4.8
131.04872	2.4
131.07562	1.6
131.08508	30.4
133.02817	1.8
133.06444	13.0
133.10098	10.6
135.04340	2.8
135.08023	7.0
137.05927	100.0
141.06966	6.8
141.12651	1.5
142.07738	11.2
143.04895	8.1
143.08517	42.1
144.09329	8.0
145.06487	1.5
145.10072	55.8
147.04384	1.7
147.08014	8.2
147.11644	6.7
148.04745	1.2
149.05936	10.6
149.09521	2.0
150.06714	1.2
151.03854	17.8
151.04945	2.3
155.08479	2.4
156.09286	27.6
157.06409	1.8
157.10054	20.0
158.07178	2.1
159.07996	5.4
159.11626	36.2
161.05905	5.3
161.09537	1.9
161.13243	2.6
163.03925	1.4
163.11098	22.3
163.79350	1.1
166.07657	2.0
169.10013	1.3
171.11606	37.5
173.09666	1.7
173.13216	1.7
175.07529	6.8
175.11131	4.6
177.05409	7.6
187.11124	12.5
189.12653	6.9
191.10558	8.6
195.01050	1.6
199.11041	13.6
205.12183	5.2
217.12143	43.6
235.13187	23.1
321.13391	2.5
327.12158	4.7
357.12888	13.1
381.64981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66523	2.0
53.03928	4.0
55.01852	6.6
55.05487	6.4
55.05738	2.3
55.10073	2.4
56.96544	21.4
57.03432	20.2
57.07073	2.6
60.94352	2.8
61.02896	16.0
67.05480	4.2
69.03038	3.6
69.03406	87.2
70.03731	5.8
70.06564	6.2
71.04959	33.3
73.02890	18.0
81.03387	21.8
81.07001	4.4
83.04952	19.0
84.08142	3.5
84.95987	3.7
85.02876	99.4
86.09663	7.3
87.04448	4.1
92.09253	3.6
95.01321	9.9
95.04929	35.8
96.01604	3.1
97.02861	48.5
98.03098	4.0
98.97545	36.5
99.04417	22.3
101.00821	6.6
102.10564	3.1
103.02387	2.9
109.02833	4.8
113.02322	5.6
113.03458	12.3
113.05958	37.6
114.06382	2.9
116.98594	23.3
117.05439	2.9
119.01877	27.6
120.03377	4.2
122.05988	2.9
123.06754	3.5
127.03887	27.8
128.98547	4.9
129.99002	2.7
131.00189	3.5
131.01840	19.3
131.06992	4.2
133.03445	6.3
133.05095	3.0
134.05969	12.4
134.99596	12.0
136.06058	3.7
136.07538	17.3
137.02820	4.0
138.05461	14.0
141.01822	4.7
142.02116	3.1
143.01871	16.5
145.01656	3.4
145.03406	7.2
145.04930	12.8
147.04401	3.1
147.06665	3.0
148.07512	16.9
150.05441	11.3
152.07030	33.9
153.03877	5.1
153.07819	22.8
157.03406	14.4
158.99612	6.9
160.07474	3.7
161.02927	25.1
162.03105	3.0
162.05486	6.9
163.02582	3.8
163.04088	3.4
164.07016	84.8
165.07774	16.6
166.08559	17.8
167.05460	12.8
171.01367	3.9
171.04962	33.0
173.02937	13.7
175.04465	11.3
176.07008	23.4
177.00652	7.0
178.08594	6.1
179.05408	2.9
180.06485	92.5
181.09657	4.3
185.02908	11.8
187.02753	4.5
187.04460	4.3
189.06017	11.1
192.06458	59.8
192.98689	3.6
194.08055	79.5
203.03946	11.7
204.06493	25.9
208.06020	4.8
213.02451	3.8
213.05936	3.3
214.08661	3.2
218.07990	3.2
219.01677	4.6
220.06033	14.5
221.04970	28.7
221.06898	4.3
221.09222	11.8
222.05388	3.9
222.07536	64.4
232.06055	3.8
237.02713	6.2
239.04091	5.2
239.07388	3.6
240.08578	15.4
243.07515	3.6
245.05116	14.3
250.07010	84.7
257.05225	3.7
261.06885	4.8
267.09689	3.3
268.07999	5.5
274.06967	2.9
274.97339	4.2
275.10086	3.0
282.09702	12.9
285.04333	4.1
292.08096	6.0
292.98364	4.0
294.09601	6.7
297.10910	4.9
303.09616	7.0
310.09137	57.0
321.10498	3.9
322.09299	4.4
328.10049	24.5
339.11771	90.2
357.08481	4.0
357.12848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3515
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.43173	0.3
53.69160	0.3
54.28523	0.3
55.05495	15.6
57.07066	3.3
57.19609	0.3
58.06571	0.8
67.05471	0.4
69.07043	12.4
70.06568	20.1
71.08587	0.7
73.02146	0.3
75.63337	0.3
83.08588	4.9
88.07603	22.6
92.09410	0.7
97.10139	0.8
102.09136	5.6
106.08644	10.9
119.02524	0.4
160.24663	0.4
161.82132	0.3
227.13058	0.4
227.98192	0.4
264.79688	0.4
288.81363	0.4
312.32529	0.7
338.34030	7.9
356.35114	100.0
357.35248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1172
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
54.80855	0.3
63.02336	0.7
66.56997	0.3
76.54917	0.4
78.04679	0.6
79.05446	0.6
80.28136	0.3
85.02853	1.2
89.03883	12.8
89.09298	0.3
91.05436	0.6
94.72784	0.3
95.04893	0.4
103.05419	0.4
106.04131	0.7
107.04889	0.4
117.03339	30.6
118.97777	0.3
121.06468	0.6
122.64046	0.3
134.03587	4.1
135.04356	4.3
145.02800	71.7
147.04379	1.1
148.04732	0.5
149.05933	17.7
162.03036	1.4
163.03838	7.4
164.04213	0.3
165.04309	0.4
177.05405	100.0
178.05748	0.4
186.63676	0.3
195.06468	20.7
197.79556	0.3
207.20273	0.3
222.97539	0.4
357.15189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1172
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
51.84917	0.6
53.71653	0.8
56.96543	0.8
59.04958	0.9
71.41172	0.8
77.73670	0.8
78.04653	0.7
79.05441	1.1
85.02888	1.9
87.12978	0.7
89.03879	11.6
91.05447	0.9
93.53702	0.7
95.04910	0.8
97.02845	1.1
101.33328	0.7
114.36552	0.9
117.03329	28.3
119.04894	0.7
121.06458	1.3
123.11696	1.0
124.50814	0.8
134.03618	6.0
134.55370	0.9
135.04373	7.8
137.05989	1.1
145.02802	70.1
147.04398	1.6
148.04778	0.9
149.05942	14.9
155.39316	0.9
162.03108	1.0
163.03830	14.1
164.04205	4.9
164.69608	0.9
165.04317	3.6
177.05403	100.0
195.06453	24.3
357.14911	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	356.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08063	0.3
60.43750	0.4
63.02347	0.6
65.03928	0.4
69.03387	0.5
73.26581	0.3
79.05455	2.4
79.49767	0.4
80.05759	0.7
83.04944	1.7
85.02869	0.7
89.03326	0.5
89.03881	14.4
89.50066	0.4
90.04218	6.5
91.05476	3.0
95.04908	2.0
107.04922	4.5
108.05252	2.4
111.04400	0.9
111.57755	0.4
117.02546	0.7
117.03341	18.2
118.03673	9.9
119.04907	10.9
135.04369	36.7
136.04709	22.4
141.67749	0.5
145.02808	20.3
145.03958	0.7
146.03140	14.3
146.04153	0.6
147.04366	45.3
163.03841	100.0
164.04175	69.0
248.04939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04468	1.0
59.04972	1.7
72.60185	1.2
81.06998	1.8
89.03881	2.7
99.08065	6.1
99.32819	1.4
103.40070	1.2
103.67417	1.2
107.04966	1.4
113.61981	1.2
117.03358	8.6
118.03681	2.5
121.02789	1.4
123.04347	1.8
131.04892	1.9
135.04370	16.7
136.04706	7.6
145.02803	11.4
146.03169	5.9
147.04344	19.7
149.02284	7.6
163.03845	51.4
164.04193	23.0
175.03777	2.5
177.01811	7.8
177.05450	4.9
185.53511	1.3
187.03830	4.7
189.05496	1.6
203.03331	100.0
205.04875	8.8
215.03369	8.7
219.02803	1.4
225.76280	1.3
227.46721	1.3
229.04750	1.4
231.02820	14.8
233.04364	5.7
248.83455	1.4
261.03876	10.9
279.04916	16.1
291.04858	13.1
321.05670	1.6
339.06989	8.4
356.09653	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2834
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.62284	1.7
53.03929	2.5
55.05495	100.0
57.03419	31.6
57.07051	10.2
57.38792	1.7
61.00626	1.7
67.05482	90.8
69.06677	3.3
69.07043	90.2
71.04959	3.8
71.08599	2.7
79.05460	29.1
81.07024	94.1
83.04936	2.3
83.08587	44.5
85.06523	3.1
91.05456	18.2
93.07008	26.9
95.08567	70.7
95.09145	3.6
97.06503	8.5
97.10136	21.8
105.06997	14.2
107.08545	20.4
109.10122	29.7
111.11713	3.2
117.03307	2.8
118.96729	2.4
119.08540	10.3
121.10111	15.9
123.11659	9.1
133.10101	7.1
135.11662	4.2
145.02814	3.0
147.11626	2.0
149.13211	4.0
159.44063	1.7
163.03842	21.0
163.14777	3.1
184.68164	2.0
221.54434	1.7
245.22414	3.4
263.23563	9.4
337.27249	9.8
355.28305	87.0
356.28503	2.0
373.99298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2834
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
52.25544	1.3
53.03921	1.9
55.01859	2.4
55.05496	36.6
57.03421	7.9
57.07059	15.6
58.01239	1.6
64.32312	1.7
67.05482	90.9
69.03401	1.9
69.07047	33.7
71.04975	2.1
71.08604	2.5
79.05454	25.7
81.07027	100.0
83.04984	2.1
83.08595	21.8
85.06527	1.7
85.10150	1.9
87.10043	1.7
89.03887	1.8
89.99638	1.7
91.05449	21.3
93.07005	30.7
93.44050	1.8
95.08576	88.0
97.06477	6.6
97.10127	7.8
105.06978	11.5
107.04943	1.5
107.08560	13.5
109.10118	29.1
109.30613	1.7
111.08036	2.8
117.03345	3.8
119.08554	12.2
121.10090	15.4
123.11668	14.4
123.12469	1.6
129.05424	2.3
133.10095	15.0
135.04408	9.5
135.11650	8.2
137.13293	2.9
145.02827	4.1
147.11641	10.8
149.13210	6.6
161.13242	7.7
163.03847	33.8
163.14771	4.1
165.16356	2.5
175.14766	2.6
245.22548	22.2
263.23630	23.7
269.08673	1.9
337.27188	21.6
355.28299	14.9
378.11887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1717
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05497	0.8
56.45210	0.5
62.39923	0.5
69.03378	0.8
69.07052	1.2
81.07033	1.4
89.03894	0.8
93.07001	3.7
95.04933	1.0
95.08579	1.5
97.06510	1.0
105.03367	11.2
105.07039	0.9
106.03693	3.9
107.08554	1.1
109.10127	0.8
117.03371	2.8
119.08540	0.9
121.10108	3.5
135.04344	5.4
145.02808	3.4
162.09100	5.8
163.03850	16.1
163.09444	3.1
175.82593	0.6
193.11996	0.9
197.68393	0.7
203.05139	3.0
248.76515	0.7
300.92685	0.7
307.08328	0.7
355.17178	100.0
355.21704	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3358
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05498	19.2
55.73499	1.7
56.05002	2.2
56.80952	1.8
57.05793	1.9
57.07064	24.0
58.02935	2.4
58.06582	20.6
67.05476	10.4
69.07042	34.3
70.02920	2.0
70.06574	13.3
71.08600	11.6
72.04488	2.9
74.06041	3.2
74.34924	1.8
81.07028	28.0
82.06512	1.7
83.08601	19.7
84.08105	12.2
85.10151	3.9
86.06025	3.2
87.06828	2.3
92.09386	4.7
93.06996	3.0
95.08564	21.9
97.10131	10.2
101.78848	1.8
109.10120	10.6
118.33672	1.9
123.11684	4.1
129.53987	2.1
137.13268	2.7
214.54184	2.0
226.13745	2.0
227.74126	2.1
261.35507	2.1
294.31482	2.5
306.31299	3.3
308.33002	2.7
326.33948	3.9
336.32510	12.6
337.31158	2.2
340.74710	2.1
354.33536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1014
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.00297	0.3
55.35849	0.3
61.00784	0.3
62.01555	0.4
63.02349	1.4
65.03931	0.3
67.05469	0.5
77.55759	0.3
79.05440	1.4
83.04930	1.2
85.02861	0.3
89.03883	9.8
93.03358	0.3
95.04929	0.4
100.35738	0.3
107.04931	4.7
117.02532	0.6
117.03339	15.7
135.04370	35.7
145.02808	20.2
145.03802	0.5
163.03845	100.0
187.29744	0.3
231.90852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1015
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
61.16833	0.2
63.02351	0.4
79.05471	2.5
81.17083	0.3
83.04947	0.6
89.03884	11.8
92.09370	0.3
95.04911	0.5
98.98073	0.3
99.98028	0.3
107.04915	4.0
111.04359	0.4
117.03336	17.3
135.04372	35.6
139.03874	0.3
145.02803	22.1
147.04477	0.2
151.51245	0.2
163.03845	100.0
164.04207	0.5
172.30890	0.2
211.00856	0.2
215.68433	0.2
218.12206	0.2
224.77905	0.2
250.70824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81139	0.3
62.01563	0.5
63.02356	1.0
67.05457	0.4
79.05451	1.9
83.04951	1.2
89.03884	10.8
90.11756	0.2
95.04962	1.1
107.04926	3.2
111.04413	0.3
117.03340	16.1
117.04176	0.6
135.04372	33.3
136.04669	0.4
145.02805	19.2
145.03783	0.7
163.03845	100.0
164.04207	0.4
214.76169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98036	0.9
55.05494	4.2
56.96545	2.0
57.07058	11.6
58.68433	0.9
58.83582	1.0
59.04979	62.2
59.05276	2.4
63.87669	1.1
64.36582	1.2
65.74064	0.9
67.05489	1.3
69.07039	1.9
70.06612	1.1
79.05457	1.2
81.07010	1.3
87.04439	20.0
89.03887	2.1
89.06017	2.1
93.06977	1.8
101.09629	5.6
103.07546	100.0
105.06977	1.2
107.07037	1.7
116.97147	2.1
117.03271	3.4
118.96731	5.2
119.07014	1.3
119.08493	2.0
125.69192	1.1
128.85074	1.1
130.76266	1.0
130.85634	0.9
135.04352	9.5
141.98317	1.6
145.02800	6.2
147.11646	1.2
159.11662	1.4
163.03833	28.9
163.13275	1.6
175.13245	6.2
199.93814	1.4
219.15598	1.1
235.13300	1.1
254.59171	1.0
279.42578	1.0
290.94656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23531	0.3
51.40790	0.3
51.65830	0.4
53.03916	0.8
57.03399	0.7
61.02904	22.3
67.05470	0.6
69.03381	2.0
69.07039	0.6
72.07204	0.4
72.30116	0.4
73.02906	0.3
78.56511	0.4
79.05459	49.2
81.03394	0.5
85.02879	5.2
89.03875	0.6
91.05433	3.0
92.63216	0.4
93.07005	35.0
95.04928	0.9
95.08595	0.5
97.02860	1.8
97.06490	24.5
99.04429	0.5
109.06481	0.7
111.04449	0.6
111.08022	0.9
113.06010	0.5
117.03321	1.7
119.04871	0.6
121.06456	11.2
125.78204	0.4
127.07507	0.5
129.05397	0.4
135.04370	4.0
135.55905	0.4
139.07495	100.0
145.02800	2.7
147.04366	2.5
157.08548	34.0
163.03842	14.7
163.05202	0.5
167.27150	0.4
175.09596	18.9
229.86115	0.5
290.37332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13376	0.2
53.03917	0.7
55.01857	0.3
55.05484	0.2
56.96542	1.4
57.03418	0.2
59.04976	0.2
61.02902	1.5
65.03889	0.2
67.05477	0.8
69.03398	1.6
69.07024	0.3
71.04964	0.4
72.08136	0.3
79.05450	1.8
79.06252	0.2
81.03376	0.7
83.04942	1.9
85.02870	3.7
85.06504	0.3
87.04449	0.3
89.03874	1.6
91.05427	2.5
93.03412	0.2
93.07004	6.6
95.04925	1.5
97.02849	2.5
97.06505	1.4
98.97549	1.9
103.05408	2.6
107.04922	0.9
109.02849	0.3
111.04401	4.1
111.08015	0.2
113.05978	0.3
113.86149	0.2
114.05514	0.9
115.03917	0.3
115.05779	0.3
116.98582	1.2
117.03354	1.6
119.01892	0.8
121.06458	100.0
123.04462	0.2
127.03847	0.3
129.05414	1.7
134.99626	0.9
135.04366	4.7
136.06129	0.7
137.05855	0.2
138.09090	14.2
139.03886	1.7
139.07491	4.2
143.00111	0.3
145.02757	3.4
145.04913	0.7
146.03276	0.2
147.04387	0.3
156.13609	0.2
156.85179	0.2
157.04935	2.4
157.08539	1.4
158.99632	0.3
161.01144	0.2
161.02907	0.3
163.03841	18.4
164.04198	0.4
172.95169	0.2
174.11263	0.2
175.05992	1.9
175.09599	1.1
177.00714	0.5
191.05519	0.2
192.12349	0.6
207.01888	0.2
219.01613	0.3
222.05098	0.2
237.02794	1.0
239.04251	0.2
250.09134	0.6
270.91306	0.2
288.92169	0.9
306.93134	0.2
354.08932	0.2
355.08502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87705	3.2
54.43465	3.0
55.05489	21.2
56.96545	17.1
57.03436	4.2
57.07047	6.8
67.05486	85.2
69.07040	25.3
70.52528	3.3
71.80445	3.9
79.05469	54.5
81.07032	100.0
85.06541	3.9
91.05443	23.0
93.07005	56.1
95.08575	69.6
99.16229	3.9
100.04748	3.5
105.06970	21.4
107.08567	34.1
109.10120	17.1
117.06976	6.4
119.08514	8.2
121.07512	3.4
121.10070	29.9
123.11686	7.6
131.08527	13.8
133.10066	6.6
135.11646	8.1
145.10085	16.0
147.11626	6.8
149.13194	13.6
159.11629	8.9
163.14832	4.6
173.13264	5.1
205.08177	3.9
223.39342	4.2
237.88985	3.5
243.20784	12.3
256.90048	3.9
258.39725	4.0
261.22049	36.1
324.11740	4.3
335.25708	5.5
374.28577	4.8
376.48239	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	354.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01856	4.0
55.05244	0.7
55.05495	17.6
57.03408	2.6
57.10275	0.6
61.02901	3.9
67.05453	0.9
69.03406	6.5
69.07041	15.2
71.04946	1.2
73.02863	0.7
79.05432	0.8
81.03386	3.0
81.07023	1.3
83.04972	0.5
83.08589	76.7
84.08923	0.5
85.02370	0.9
85.02876	21.2
87.04432	0.7
87.08060	1.3
88.30136	0.5
89.03872	0.7
91.03939	1.0
93.07005	3.1
95.08551	1.1
97.02841	6.2
97.06507	0.6
106.74625	0.5
109.02860	2.0
111.08042	27.5
114.36080	0.7
117.03333	1.2
121.06423	0.9
121.10095	0.9
127.03868	3.1
129.09090	6.3
135.04385	3.6
139.07480	3.7
139.11140	1.0
142.34264	0.7
145.02795	2.5
145.04933	2.7
157.08553	19.4
157.12120	1.0
163.03844	10.6
175.09587	100.0
180.08598	2.5
180.45294	0.5
192.12193	1.3
233.90762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23945	1.0
53.03915	1.4
55.01873	1.9
55.05498	17.8
56.96543	4.8
57.03415	5.2
57.07052	4.8
60.19553	1.1
62.72123	1.0
65.03912	1.3
67.05482	94.9
68.40361	1.3
69.07039	17.0
71.04963	1.3
71.60734	1.2
75.04468	1.6
79.05463	51.7
79.36348	1.1
81.07027	100.0
81.36095	1.0
83.08589	7.9
85.06516	1.5
87.86147	1.0
91.05447	26.9
91.69974	1.3
93.07010	69.0
95.04938	5.4
95.08573	67.1
97.06507	2.9
97.10139	2.4
101.89954	1.0
105.07006	23.1
107.08559	43.9
109.06523	1.6
109.10123	30.0
117.06982	12.7
118.07880	1.3
119.08539	18.3
121.10103	30.2
123.11665	12.8
124.87001	1.3
131.08522	20.2
133.10077	15.9
135.11632	22.9
137.13223	5.0
145.10091	15.8
147.11610	10.1
149.13245	15.8
159.11655	11.5
161.13226	8.0
163.14767	8.4
173.13199	12.9
175.14854	1.7
177.16344	1.8
187.14806	7.1
205.15732	1.4
243.20979	17.0
261.22031	54.0
265.76541	1.3
271.19202	1.2
271.22156	1.2
281.10468	2.9
335.25656	6.2
353.26746	18.3
361.96341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87705	3.2
54.43465	3.0
55.05489	21.2
56.96545	17.1
57.03436	4.2
57.07047	6.8
67.05486	85.2
69.07040	25.3
70.52528	3.3
71.80445	3.9
79.05469	54.5
81.07032	100.0
85.06541	3.9
91.05443	23.0
93.07005	56.1
95.08575	69.6
99.16229	3.9
100.04748	3.5
105.06970	21.4
107.08567	34.1
109.10120	17.1
117.06976	6.4
119.08514	8.2
121.07512	3.4
121.10070	29.9
123.11686	7.6
131.08527	13.8
133.10066	6.6
135.11646	8.1
145.10085	16.0
147.11626	6.8
149.13194	13.6
159.11629	8.9
163.14832	4.6
173.13264	5.1
205.08177	3.9
223.39342	4.2
237.88985	3.5
243.20784	12.3
256.90048	3.9
258.39725	4.0
261.22049	36.1
324.11740	4.3
335.25708	5.5
374.28577	4.8
376.48239	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	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05493	20.5
57.03410	12.7
57.07038	4.3
57.18091	1.5
64.83389	2.1
67.05481	100.0
69.07047	21.9
71.04977	2.4
74.30997	1.7
79.05458	53.1
79.56104	1.5
81.07027	99.4
83.08584	10.4
85.06492	2.7
91.05445	26.2
93.07004	66.2
95.04956	3.1
95.08571	87.9
97.06476	2.7
105.07034	23.3
107.08562	34.9
109.10118	32.6
117.06948	10.0
119.08519	12.2
121.10112	29.1
123.11658	11.6
131.08546	19.3
133.10089	8.7
135.11620	16.5
137.13217	2.4
145.10094	14.2
147.11630	4.2
149.13203	11.8
159.11659	8.7
161.13237	7.8
163.14749	4.7
173.13176	10.7
187.14819	8.8
187.36705	1.9
243.21021	12.8
261.22052	43.3
275.72440	1.9
279.23141	2.6
335.25784	9.7
353.26831	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	353.2678
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.95273	0.5
53.03926	3.7
55.01852	1.5
55.05498	28.5
55.88674	0.6
56.96529	0.9
57.03421	23.3
57.07051	3.0
60.33279	0.6
62.94974	0.6
63.06492	0.7
65.03906	4.2
67.05483	100.0
69.07041	22.9
71.04971	5.2
76.55202	0.7
79.05463	40.3
81.07028	83.7
83.04942	1.6
83.08584	9.0
85.06499	4.1
91.05447	21.2
93.07003	37.9
95.04920	5.6
95.08575	68.6
97.06493	4.3
97.10130	4.0
99.08020	1.3
105.06990	11.5
107.08547	14.7
109.06435	1.0
109.10123	18.5
109.71777	0.8
111.08011	1.4
117.06970	2.9
119.08529	8.6
121.10095	12.9
123.08038	0.8
123.11652	6.2
123.77644	0.7
131.08530	5.0
133.10069	5.0
135.11635	6.6
137.13184	1.5
141.42931	0.7
145.10106	4.5
147.11641	4.4
149.13159	1.3
159.11671	1.5
161.13222	3.3
243.20947	1.1
257.30658	0.8
261.22089	3.4
335.25705	1.6
353.26736	48.5
353.31094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.09353	5.8
54.08224	5.1
54.32892	5.1
54.33243	5.1
55.05493	46.9
55.77562	5.3
57.03415	13.5
57.07042	26.5
63.57679	4.8
67.05475	86.7
69.07035	34.7
71.08606	61.7
78.65018	6.6
79.05465	61.4
81.07026	100.0
81.78501	6.3
83.08579	26.8
86.16073	6.6
87.04432	7.5
89.05980	12.8
91.05450	30.5
93.06995	58.6
95.08575	84.0
99.08055	30.7
104.81507	6.8
105.06991	28.4
107.08539	34.8
109.10107	14.3
119.08515	11.6
121.10133	23.4
125.09585	9.4
133.10051	7.0
135.11603	25.6
147.11647	31.7
154.02684	6.2
155.38266	7.7
163.14784	6.9
195.12152	8.7
261.22052	34.0
277.88559	6.8
279.23215	11.5
285.08679	6.7
324.86038	6.5
353.26523	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92163	1.0
53.03926	2.5
55.01861	1.1
55.05276	1.4
55.05497	19.3
57.03410	6.4
57.07060	7.1
65.03908	1.8
67.05482	100.0
69.07047	14.5
71.04970	1.9
79.05460	51.3
81.07027	90.5
83.04960	1.2
83.08596	10.4
85.02867	5.8
85.06505	1.1
86.48888	1.2
91.05443	27.4
93.07008	69.7
95.04913	4.1
95.08572	63.9
97.06522	2.2
99.08075	1.7
105.06983	21.9
107.08564	41.5
109.06493	2.2
109.10116	30.7
117.06988	12.2
119.08536	18.2
121.10099	36.0
123.11672	14.4
125.09634	1.3
131.08514	23.2
133.10085	14.6
135.11649	20.9
137.09537	1.5
137.13171	4.0
145.10085	16.1
147.11636	11.5
149.13210	16.0
159.11632	12.2
161.13266	8.4
163.14767	12.1
164.57919	1.1
165.12743	1.7
173.13156	12.8
175.11134	4.1
175.14774	1.5
177.12834	1.2
177.16344	2.0
178.32410	1.0
187.14702	7.0
201.16376	2.3
233.22617	1.9
243.20972	18.0
261.22025	55.9
262.97598	1.0
279.23004	1.4
335.25739	6.8
353.26743	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2676
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	1.5
53.26561	1.2
55.05494	19.4
57.03415	7.8
57.07052	3.4
62.55469	1.1
65.03902	2.2
67.05480	95.9
69.07034	16.7
71.04939	2.3
72.47635	1.5
75.04445	1.6
79.05460	43.4
81.07024	100.0
83.08592	7.8
84.22544	1.2
91.05441	20.0
92.08675	1.5
93.06415	2.4
93.07007	55.3
95.04918	3.0
95.08562	66.0
97.06518	2.9
98.97556	6.5
105.06985	17.2
107.07894	1.6
107.08559	30.5
109.10126	35.5
116.98573	5.5
117.07001	13.7
119.08561	15.2
121.10090	26.5
123.11667	10.8
131.08519	16.9
133.10060	12.2
135.11638	22.0
137.09549	2.1
137.13211	1.7
145.10048	10.5
147.11618	6.1
147.67819	1.3
149.13203	11.9
158.01260	1.6
159.11575	11.3
161.13191	5.9
163.14766	7.0
168.34143	1.3
173.13211	9.4
187.14723	2.6
201.16345	1.8
243.20956	16.0
261.22046	50.3
335.25693	6.9
353.26730	18.9
371.00531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04248	7.6
53.06946	7.0
53.07175	8.4
54.81179	9.2
55.05482	39.9
55.07012	8.5
57.03408	20.0
57.07056	9.8
67.05478	88.4
69.07040	47.2
71.04966	10.2
71.08594	57.7
79.05453	52.8
81.07027	100.0
83.08582	21.0
87.04427	52.1
91.05426	15.9
93.07001	49.9
95.08584	78.1
99.08056	15.7
105.06997	10.4
107.08554	43.2
109.10122	16.2
119.08544	12.8
121.10094	39.5
127.16378	9.1
131.08553	15.7
135.11592	12.6
145.10117	9.6
149.13174	9.3
160.57207	10.6
189.71724	8.9
279.22940	14.4
353.26944	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2676
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.51157	0.7
53.03922	1.5
55.01847	1.1
55.05493	18.1
57.03424	7.5
57.07056	4.5
65.03922	1.1
67.05480	100.0
69.07040	16.2
69.10689	0.8
71.04964	4.2
71.08584	1.2
71.66570	0.9
79.05461	45.5
81.07023	95.7
81.24758	0.8
82.62644	1.0
83.04976	1.2
83.08567	7.3
85.06518	3.5
91.05436	25.6
93.07004	57.3
95.04919	5.0
95.08565	68.3
97.06493	3.6
97.10146	1.1
101.92387	0.9
105.06992	18.5
105.44073	1.0
107.08560	34.1
109.06487	0.9
109.10121	32.0
117.06985	9.2
119.08527	14.7
121.10095	28.2
123.08009	1.0
123.11654	15.0
131.08536	21.0
133.10072	13.3
135.11639	20.6
137.13225	5.1
145.10077	12.6
147.11641	7.0
149.13203	12.6
159.11624	8.6
161.13182	7.3
163.14719	8.5
170.02951	1.0
173.13159	8.4
177.12650	0.9
177.16341	1.9
179.14294	1.1
187.14758	6.1
220.98167	1.1
233.22571	1.1
243.20973	12.6
261.22021	38.6
279.23108	1.4
335.25626	9.4
353.26709	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	353.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01856	1.1
55.05497	17.8
55.29206	0.8
57.03404	4.3
57.07051	5.5
57.99714	0.9
59.04977	0.8
59.08140	0.9
65.03925	1.1
67.05477	96.6
67.30409	0.9
69.07034	16.1
71.04966	4.0
75.04436	0.9
79.05459	57.3
81.07021	100.0
83.08595	9.0
85.06535	2.0
91.05441	30.0
93.07004	74.7
95.04936	2.4
95.08567	66.3
97.06486	5.6
97.10137	2.0
98.63134	1.1
99.08039	2.5
104.72146	0.9
105.06997	19.6
107.08554	49.2
109.06491	1.6
109.10112	33.5
109.78632	1.1
113.09634	1.3
117.06971	10.8
119.08542	15.6
121.10090	35.1
123.11647	11.2
131.08521	23.8
133.10117	11.5
135.11644	24.7
137.09544	1.2
137.13232	2.5
145.10062	16.6
147.11638	7.2
149.13211	16.3
153.12697	1.4
159.11633	14.3
161.13203	7.3
163.14748	9.3
173.13234	10.5
175.14775	1.3
177.16380	1.3
187.14790	7.1
205.15900	1.1
233.22546	1.3
243.20996	17.4
261.22046	48.4
279.23111	2.4
335.25595	5.0
353.26767	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	353.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.4
55.01851	2.3
55.05485	4.1
57.03411	8.4
59.04946	1.0
61.02908	7.9
65.03896	0.9
67.05474	7.1
69.03407	33.7
69.07037	0.9
71.04955	5.1
73.02891	6.9
79.05438	1.5
81.03391	19.4
81.07036	1.1
83.04943	8.8
83.08579	1.1
85.02876	85.7
85.06478	1.0
86.09674	7.0
87.04436	45.1
91.03913	1.2
91.05448	1.0
92.65108	1.1
93.03352	1.3
93.06991	5.6
95.04919	4.8
95.08559	6.4
96.08882	1.8
97.02856	25.5
97.06482	1.8
97.93513	1.2
99.04407	6.9
100.53394	1.0
101.02322	1.4
105.03323	1.2
109.02853	10.9
109.10094	6.6
110.10472	1.4
111.04407	7.2
115.03891	100.0
117.03311	1.1
119.08505	1.1
122.06006	0.9
123.04403	8.8
125.41106	1.3
126.36333	1.0
127.03873	32.2
128.10670	4.4
129.05421	2.2
133.02805	6.3
133.04919	15.4
135.04375	1.5
136.07542	1.0
137.09573	3.9
138.09862	1.6
145.04912	18.5
147.04401	1.5
151.03944	1.1
155.10664	8.7
156.10947	4.0
162.05414	1.7
163.03835	5.0
163.05988	1.1
173.11681	3.8
174.11919	1.5
179.03351	4.6
201.34451	1.1
218.45302	0.9
253.13379	1.0
259.07996	5.0
277.09131	3.9
289.81750	1.0
317.11417	1.4
335.12357	1.2
353.16864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01856	0.4
55.05488	2.1
57.07049	0.6
60.04498	0.4
65.03918	3.3
67.05481	7.3
67.32832	0.3
68.99757	0.7
69.03401	4.3
69.07041	5.6
72.04470	0.5
74.56864	0.4
77.03904	0.7
77.82985	0.3
79.05456	2.0
79.36747	0.3
81.03382	0.6
81.07027	2.5
83.04948	13.5
85.02879	5.8
85.06516	0.5
86.09676	100.0
91.05417	0.8
93.03378	4.3
93.07018	0.7
94.07317	0.6
95.04929	6.6
95.08577	1.7
97.02863	0.7
105.03355	7.6
105.04490	0.6
106.13873	0.4
106.43730	0.4
107.04922	14.1
109.02854	0.7
109.06503	2.0
110.06850	0.5
111.04401	11.0
115.61772	0.4
119.04897	1.4
121.02847	1.5
123.04387	10.0
128.10675	65.5
129.05412	3.1
132.10165	17.9
133.02809	21.7
134.03564	0.7
135.04414	0.7
137.05933	4.6
138.06256	2.8
139.03865	4.0
147.04393	3.3
151.03874	6.5
152.81415	0.5
155.07007	0.6
155.14293	0.5
156.07332	0.8
156.10147	9.6
157.04941	2.3
161.02271	9.6
163.03883	1.4
173.08017	0.7
173.22650	0.4
174.11192	26.7
175.06007	0.9
179.03331	28.2
180.03738	0.4
295.19025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06784	2.4
57.07056	48.2
59.04964	1.7
59.34861	1.3
60.79918	1.3
62.12287	1.5
65.96497	1.4
68.46272	1.5
71.08607	26.9
73.06536	4.0
73.55977	1.6
81.07034	2.4
83.08588	3.0
85.10160	27.5
87.04368	1.8
89.05999	100.0
89.06551	3.5
107.07035	4.0
112.53063	1.6
133.08575	22.2
146.04126	1.7
151.09648	2.4
159.85071	1.7
177.11147	3.1
195.12215	21.8
229.21561	2.4
244.55090	1.6
305.94366	1.7
335.07449	1.9
335.27823	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	353.0834
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
54.50005	2.7
54.81159	2.8
59.96889	2.3
92.08747	2.9
99.60831	2.8
117.39874	2.9
211.66736	2.8
213.04420	3.8
222.55014	3.1
353.08356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.4
53.03930	1.7
55.01856	1.7
55.05499	16.9
57.03419	1.9
65.03919	14.3
67.05482	27.8
67.05823	1.7
68.99761	2.2
69.03407	21.3
71.01366	0.9
77.03907	5.6
79.05483	2.0
81.03401	1.2
83.04954	100.0
84.66199	0.9
85.02885	29.7
85.06516	4.0
87.04456	1.6
89.03871	1.1
92.08775	1.2
93.03371	25.2
95.04942	18.2
97.06507	5.5
105.03355	16.1
107.04913	8.8
109.02849	2.0
109.06499	2.3
111.04411	75.6
113.02362	1.1
115.03890	1.9
121.02836	5.4
123.04383	62.9
127.03885	1.8
127.07521	6.1
128.07889	1.5
129.05431	22.8
133.02815	41.3
135.04384	9.3
137.02318	1.9
137.05951	1.8
139.03867	15.0
150.03214	1.0
151.03880	7.1
152.06297	1.5
153.05501	1.2
153.06967	6.6
155.03391	2.1
155.06964	1.3
157.04922	8.6
157.68507	1.1
161.01094	1.3
161.02309	15.6
161.05885	1.1
163.03859	17.1
165.06932	1.7
166.91748	0.9
173.05951	5.6
173.08055	4.2
174.08334	2.2
179.03329	22.1
179.30861	1.1
181.06444	5.6
197.04378	1.9
197.06013	1.4
199.07480	3.8
203.05557	1.6
203.11273	1.0
207.02907	4.0
215.07037	1.9
224.68275	0.9
271.06021	2.0
307.08069	2.0
335.07578	2.1
353.08569	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	352.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87254	0.6
55.05257	1.0
55.05490	8.2
57.03393	1.2
57.07053	10.1
58.29167	0.6
61.02884	1.7
67.05477	10.5
67.29478	0.8
69.03395	1.9
69.07040	17.7
71.08606	1.5
79.05460	4.9
81.03374	1.5
81.07023	100.0
83.08572	1.4
83.59624	0.9
85.02874	16.1
85.06519	11.8
86.91407	0.7
93.06984	1.6
95.08570	68.7
97.02856	5.6
105.07004	0.8
109.02882	1.0
109.10126	4.3
111.11682	11.6
127.03890	1.4
137.13200	49.7
155.14294	11.2
212.22067	0.8
261.55850	0.9
286.02838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
53.09561	0.6
55.05489	4.9
57.07056	8.5
58.08793	0.7
58.81120	0.7
59.04974	0.8
59.31986	0.7
61.02879	0.9
67.05481	13.4
69.03398	1.9
69.07036	15.3
71.08579	1.3
72.81705	0.7
73.06500	0.9
76.55228	0.8
77.68821	0.8
79.05438	6.5
81.03403	1.2
81.07021	100.0
83.08579	4.5
85.02875	15.9
85.06503	10.5
93.07003	3.1
95.08562	67.9
97.02854	3.7
99.08029	1.6
109.02840	1.3
109.10125	3.6
111.11690	7.9
121.10120	0.7
127.03864	4.2
133.46825	0.9
137.13202	34.6
145.04872	1.6
151.87524	0.8
155.14197	5.8
163.05983	2.9
345.24771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.7
55.05493	2.2
57.03417	0.7
57.07069	0.4
59.04973	3.0
61.02900	0.7
65.48808	0.5
69.03413	1.1
69.07042	10.4
69.07380	1.0
71.08604	72.7
81.07023	1.0
85.02878	8.0
92.09279	0.6
93.06966	0.6
97.02844	2.4
99.08058	100.0
111.36486	0.5
127.03856	0.8
129.11781	0.8
129.12712	14.2
145.50670	0.5
149.07132	0.5
155.14235	2.8
173.15318	32.8
306.17032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
55.01850	0.4
55.05244	0.4
55.05497	8.2
57.03418	2.0
57.07056	8.6
59.04966	0.5
61.02897	2.7
66.46862	0.3
67.05479	11.9
69.03391	4.5
69.07039	17.9
71.04957	1.3
71.08599	1.8
73.02909	0.7
73.06526	2.0
79.05447	4.9
81.03400	2.7
81.07024	100.0
83.04939	0.4
83.08578	3.5
85.02877	20.5
85.06514	14.4
85.10142	0.4
87.04439	0.6
91.03930	0.4
93.07001	2.2
95.08568	76.5
97.02850	5.7
97.10148	1.3
99.04408	1.7
99.08054	0.9
105.07002	0.7
107.08573	0.9
109.02841	2.1
109.10124	3.8
111.11679	12.0
119.08508	0.5
121.10120	0.6
127.03850	2.7
137.13205	51.6
139.85860	0.3
145.04915	0.8
147.11568	0.4
154.70532	0.3
155.14258	9.8
186.31424	0.4
264.16190	0.4
301.18826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.05498	5.9
57.03418	1.1
57.07057	7.4
60.85131	0.4
61.02895	1.9
67.05482	11.5
69.03403	2.5
69.07045	15.0
71.04964	0.7
71.08615	0.5
73.06523	0.7
76.55997	0.5
79.05455	5.7
81.03371	0.8
81.07027	100.0
83.08598	2.3
85.02880	16.9
85.06522	10.6
91.05435	0.5
92.35704	0.5
93.07018	3.2
95.08571	64.2
97.02857	3.7
97.10149	0.8
99.08067	1.8
107.08565	0.9
108.35993	0.5
109.02894	1.7
109.10158	2.6
111.11683	6.3
121.61757	0.4
127.03897	3.1
137.13206	37.4
145.04909	3.5
155.14255	5.8
159.11453	0.5
163.06006	2.7
163.64864	0.5
182.55028	0.5
300.29419	0.6
327.53372	0.5
342.96811	0.5
363.37964	0.4
365.23792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98275	0.5
53.03933	0.9
53.17773	0.6
55.01853	4.1
55.05496	4.4
57.03417	3.4
57.07055	2.6
59.04982	0.7
61.02900	1.7
67.05484	24.2
68.05833	0.7
69.03065	1.0
69.03403	7.4
69.07042	5.7
71.04969	27.8
79.05468	3.9
81.03384	1.5
81.07027	12.8
82.07380	1.1
83.04972	1.3
83.08601	1.4
85.02887	15.4
85.06522	16.9
86.06855	4.1
87.04441	2.8
91.05444	11.4
92.73893	0.7
93.07010	17.2
94.07360	1.4
95.04929	4.0
95.08573	46.3
96.08840	0.8
97.02868	4.2
97.06513	8.0
98.06873	0.7
99.04414	2.6
99.08069	1.1
101.02324	0.6
101.05965	0.9
107.04919	0.8
107.08583	7.4
108.08889	1.5
109.02849	1.0
109.06479	3.0
109.10124	39.9
111.08050	43.7
113.05978	1.2
113.09600	1.7
119.08537	21.9
125.09611	4.1
127.03911	2.6
127.11170	4.1
129.09071	0.9
135.07999	3.3
135.11688	3.0
136.11981	1.1
137.05994	1.7
137.09581	53.6
145.04932	0.9
147.04352	1.2
153.12767	2.7
154.13008	1.1
155.10626	100.0
167.26730	0.7
171.13828	1.2
173.11685	52.1
177.00002	0.8
179.03308	0.8
179.53862	0.7
193.30870	0.7
367.83459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.6
64.31940	0.7
65.03909	1.0
66.57954	0.7
67.05479	6.9
69.03407	6.9
71.04956	1.0
79.05444	3.4
81.03368	1.4
81.07026	41.9
83.04951	11.4
85.02868	14.1
85.06515	73.4
91.05416	1.4
93.07006	12.9
95.04941	9.2
97.02863	1.7
97.06435	0.8
99.04424	1.0
105.03328	0.9
109.02875	1.3
109.06483	72.3
111.04409	6.3
111.08031	3.8
113.05972	9.3
119.04868	0.8
123.04386	4.8
124.28241	0.8
127.03860	1.0
127.07511	98.4
129.05421	1.4
133.02785	1.8
137.04869	1.6
137.05925	40.7
139.03824	1.2
155.06978	52.7
163.03816	0.9
165.28221	0.7
173.08028	100.0
179.03307	0.7
340.06180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61164	0.6
53.03933	1.2
55.01839	1.0
55.05493	6.1
57.03411	1.6
58.86161	0.6
61.02885	1.0
65.03906	5.0
67.05482	11.7
69.03398	10.4
69.24670	0.7
70.70763	0.6
71.04962	1.4
73.02876	0.9
77.03898	1.5
79.05456	3.3
81.03377	0.8
81.07024	39.8
83.04954	31.6
83.05442	1.0
83.08556	0.8
85.02879	20.0
85.06514	68.7
87.04449	1.1
91.05441	3.6
93.03361	6.5
93.06997	13.4
95.04935	12.9
95.08559	2.9
97.02842	4.0
97.06458	0.8
97.10147	0.8
102.35468	0.8
103.67872	0.8
105.03355	4.6
107.04909	3.2
107.77337	0.7
109.02843	1.3
109.06483	63.4
109.10134	0.8
111.03665	1.1
111.04409	24.7
111.08000	5.4
113.05991	7.2
121.02793	1.5
123.04379	20.9
125.52515	0.7
127.03846	1.1
127.07510	86.2
129.05443	5.3
133.02806	9.2
135.04378	2.9
137.05933	38.0
137.09555	2.7
139.03854	4.6
151.03903	1.2
153.06950	3.0
155.06985	51.8
155.10594	2.8
157.04906	1.3
161.02281	5.5
163.03827	5.8
173.08029	100.0
179.03342	5.9
181.06416	2.8
190.08624	0.7
191.09149	0.9
199.07498	0.7
243.06366	0.7
353.08606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24681	0.5
54.19331	0.6
55.01845	0.7
57.03407	0.9
61.02893	0.9
67.05476	5.9
68.99749	0.7
69.03400	3.3
71.04964	1.0
73.02839	0.7
79.05469	3.5
81.03377	1.4
81.07021	36.5
83.04966	1.1
85.02865	15.0
85.06515	2.9
86.09678	4.6
87.33078	0.8
91.05439	10.2
93.07001	11.2
95.08568	1.7
97.02834	5.1
97.06486	1.1
99.04411	1.0
107.04912	1.4
109.06483	48.9
109.10152	1.3
111.04414	0.9
119.04896	9.4
127.03878	1.1
127.07534	6.2
128.10660	1.4
128.53261	0.6
133.02829	1.5
137.05928	100.0
138.06264	0.9
153.06258	0.7
155.06978	28.1
155.10657	3.6
173.08003	15.3
173.11658	1.1
179.03239	1.3
180.08589	0.8
189.94038	0.6
209.70615	0.7
334.34076	0.7
357.71591	0.7
361.99060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54235	6.8
53.92893	5.9
54.81097	7.0
55.05500	11.5
56.27124	6.1
63.42326	6.7
67.05466	37.8
69.07030	48.1
71.04964	6.3
76.11851	6.7
76.66531	7.3
77.66677	8.5
79.05458	14.3
81.07018	56.0
83.08575	10.2
85.22467	6.7
88.59328	6.2
89.06002	15.8
91.05424	42.8
92.08605	9.4
93.07005	78.6
95.04926	27.2
95.08559	52.0
97.06482	9.8
105.06984	100.0
107.08561	50.7
109.10104	31.6
117.07042	9.7
119.08533	99.0
121.06469	7.8
121.10102	41.0
131.08508	33.6
133.10068	38.7
134.52351	8.2
142.07715	14.3
143.08472	34.7
145.10051	37.0
147.11674	15.6
151.09564	12.3
157.10063	19.0
161.09558	31.7
171.11584	10.9
175.11137	7.9
183.11569	10.2
185.13115	11.8
189.22194	7.9
192.50015	7.5
197.85567	7.4
199.14798	10.9
209.13136	8.3
210.17389	8.7
351.26337	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	352.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85947	0.2
52.10430	0.2
52.27481	0.2
53.00286	0.2
53.03928	0.2
56.96550	0.5
57.03405	0.3
57.07053	0.2
58.06586	1.2
61.02900	1.2
65.42698	0.2
66.32125	0.2
67.05492	0.4
69.03400	2.3
69.07037	0.9
70.06568	0.6
73.02882	0.3
81.03390	0.5
81.07027	1.4
83.04961	0.2
84.08119	0.5
85.02875	5.3
85.06525	1.4
89.03892	1.3
91.05443	0.5
95.04964	0.3
97.02840	1.6
98.97552	2.2
102.09143	0.5
109.02842	0.4
109.06474	2.2
112.07609	0.5
116.04940	1.2
116.98584	0.5
117.03301	0.4
121.06463	1.1
126.12733	1.6
127.03916	0.3
135.04384	0.5
137.02278	0.4
137.05893	0.6
144.04413	0.3
144.10155	1.0
144.13795	6.1
145.02817	0.3
145.04900	0.4
155.06982	2.5
158.99536	0.3
161.02261	1.0
161.74547	0.2
162.05443	100.0
163.03831	2.2
163.05768	0.3
171.53922	0.2
173.07988	0.9
177.00581	0.3
190.04921	70.3
190.14339	3.6
220.11891	0.4
237.02690	0.5
237.62218	0.2
310.08994	0.8
352.09760	0.5
352.19598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99064	2.7
52.86687	2.8
55.05489	17.9
57.03419	5.0
57.07060	3.2
61.69425	2.5
67.05480	51.9
69.07037	17.8
79.05461	78.8
81.07022	50.5
82.82614	2.9
91.05431	60.3
93.07001	100.0
95.04916	7.0
95.08594	34.5
105.06959	63.4
107.08555	48.0
109.10132	12.2
114.76389	3.1
117.06963	7.4
119.08546	49.2
121.10111	32.3
129.06953	5.6
131.08510	17.5
133.10086	44.9
135.11653	25.0
143.08508	7.6
145.10066	13.6
147.11627	30.5
149.13176	17.2
157.10095	6.6
159.11635	15.1
161.13226	15.7
171.11581	4.7
175.14801	5.1
185.13245	4.8
197.07098	3.2
199.14899	3.6
241.19498	5.8
259.20480	40.0
277.21439	5.8
283.33783	4.2
333.24350	5.2
351.25049	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	351.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46324	2.4
55.05503	25.5
55.26220	2.5
56.96547	5.9
57.07047	3.9
57.45160	2.3
65.19169	2.6
66.16949	2.6
67.05488	44.7
69.07037	19.4
75.79401	2.5
77.14513	3.3
79.05463	78.0
79.50083	3.2
81.07016	49.9
83.08599	5.6
91.05441	74.6
92.06245	2.7
92.09300	6.1
93.07011	100.0
95.04919	4.6
95.08566	32.5
105.06992	80.5
107.08562	40.2
109.10132	5.1
117.06977	15.6
119.08541	50.8
121.10081	37.2
129.06978	4.1
130.03259	3.0
131.08510	21.7
133.10074	42.6
135.11658	21.9
143.08521	13.0
145.10098	15.7
147.11652	40.4
149.13211	5.3
157.10175	4.1
159.11665	11.7
161.13219	17.1
163.14786	3.3
167.02188	3.1
171.11662	13.7
173.13234	6.5
175.14767	4.3
185.13182	5.4
199.14803	5.1
231.20717	3.3
240.65451	3.9
241.19444	16.1
259.20502	45.3
351.25113	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00004	3.9
51.96231	2.7
53.00275	3.4
55.01845	5.7
55.05495	43.7
57.03423	42.8
67.05484	78.2
69.07035	29.2
71.08610	44.7
79.05460	66.0
81.03389	6.2
81.07030	81.3
82.74621	3.6
83.04936	5.9
83.08572	15.9
91.05450	62.7
93.07014	100.0
95.04928	12.0
95.08559	48.5
97.06467	5.9
99.08055	20.5
105.06976	51.7
107.04950	6.4
107.08543	37.4
109.06482	4.5
109.10120	22.3
117.06987	13.3
119.08557	41.7
121.10089	26.5
129.06891	4.7
131.08508	14.4
133.10100	32.7
135.11664	37.0
143.08527	6.4
145.10086	15.6
147.11639	24.8
149.13217	12.6
151.11136	16.2
157.10103	3.9
159.11646	15.0
161.13177	19.5
167.96468	3.2
171.11702	5.8
173.13197	5.0
175.14714	3.9
179.14255	34.8
179.88989	3.5
241.19391	13.3
259.20514	25.7
277.21582	24.0
282.24402	4.5
339.26624	3.6
351.25195	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	1.1
53.03914	5.9
55.01849	1.8
55.05244	1.3
55.05495	37.1
56.13370	0.8
56.96533	1.1
57.03418	29.5
57.07059	1.1
65.03895	5.9
67.05479	98.2
69.07035	20.4
71.04961	8.3
72.26828	1.0
79.05460	100.0
81.07021	82.5
81.07433	1.3
83.04920	2.6
83.08572	7.0
85.06530	1.9
91.05441	72.2
91.06017	2.3
92.63647	1.0
93.07006	80.3
95.04940	12.8
95.08563	47.3
97.06487	6.6
103.05440	1.0
105.04462	2.3
105.06989	39.6
107.08557	34.3
109.06487	2.5
109.10123	11.3
111.08034	1.7
117.06982	10.5
119.08537	24.1
121.10092	26.8
129.06972	1.4
131.08521	13.3
133.10101	18.1
135.11617	12.9
137.09529	1.1
143.08536	1.5
145.10023	7.4
147.11639	7.1
149.01183	1.7
149.13194	4.1
151.55684	1.2
157.10056	1.5
159.11642	2.3
161.13199	4.3
171.11588	1.4
175.14708	1.6
259.20422	8.6
351.25177	51.7
351.29440	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2131
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.43005	0.7
55.78901	0.8
56.61858	0.8
56.96534	1.1
59.83477	0.7
61.89424	0.7
64.32507	0.8
71.05298	0.7
73.05129	1.0
78.60477	0.8
81.06995	1.2
91.05421	1.7
93.06962	1.0
95.08580	1.0
105.06976	0.9
107.08555	1.3
109.10152	1.4
116.98605	1.1
119.04853	1.4
120.31081	0.8
121.10015	0.8
133.02736	1.0
147.04379	5.8
151.03860	1.1
189.09077	1.5
205.15437	0.9
273.83377	0.9
351.21265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2003
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.00284	1.1
54.68283	1.2
54.89650	1.1
55.05489	8.6
56.59083	1.0
56.96545	2.7
57.07048	2.5
59.04974	5.2
61.02900	2.4
67.05462	10.0
69.03406	8.6
69.07037	23.0
71.04959	52.5
73.06518	9.8
79.05457	13.0
81.03372	1.9
81.07022	62.3
83.04945	1.5
83.08602	6.9
85.02872	21.2
85.06504	28.8
91.05443	8.2
92.09354	1.6
93.07002	43.4
95.08574	8.1
97.02879	4.9
97.06481	14.5
98.97539	3.0
105.07005	3.0
107.08555	32.5
108.05260	1.4
108.08919	1.3
109.02802	1.2
109.06543	1.8
109.10120	19.3
111.08034	2.3
119.08469	1.3
123.11668	17.7
125.13184	1.5
127.03848	2.5
127.11148	5.7
135.07994	2.9
135.11638	47.1
136.08340	2.8
141.12692	40.7
153.09201	1.6
153.12691	100.0
155.10616	1.7
171.13731	64.9
171.15154	2.7
181.86217	1.3
182.07973	1.3
189.14833	6.1
205.68381	1.4
229.02580	2.4
232.03140	1.5
244.03033	1.7
245.36224	1.4
269.54236	1.4
310.05002	2.2
351.33679	1.3
353.06253	1.7
353.53198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58657	0.3
65.03918	0.9
66.04240	0.4
69.03386	0.7
69.32936	0.4
70.06562	91.4
71.04953	0.4
78.27859	0.4
81.03378	0.7
83.04922	0.5
83.06920	0.5
85.02859	5.1
86.03206	0.5
91.03932	0.6
93.03370	0.7
97.02856	0.8
111.04398	6.3
111.40594	0.4
112.04752	2.6
112.07562	100.0
116.07044	26.2
117.65269	0.5
118.35239	0.4
139.03848	14.0
140.04213	6.4
140.07014	10.3
153.06519	2.0
158.08064	80.3
161.16985	0.4
163.03809	0.9
171.06432	5.8
172.06773	5.3
298.24399	0.5
320.13196	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	4.1
53.03925	1.3
53.08589	0.7
55.01856	1.2
55.05494	10.1
57.03410	1.3
57.07062	3.1
59.04975	4.6
59.92128	0.9
61.02888	1.5
63.98068	0.9
67.05480	11.4
69.03401	3.3
69.06725	1.1
69.07040	17.3
71.04575	1.4
71.04964	44.3
73.06515	13.7
79.05461	17.2
81.07027	72.6
81.45805	0.8
83.04954	1.6
83.08585	5.0
85.02872	15.3
85.06519	16.9
89.61500	1.0
91.05428	7.4
93.06427	1.7
93.07006	44.3
95.04924	2.2
95.08565	10.6
97.02843	1.1
97.06513	8.3
99.04428	1.8
105.07005	1.5
107.07890	1.7
107.08560	32.5
108.08899	1.2
108.62776	1.0
109.06482	1.2
109.10113	9.6
111.04390	1.4
111.08022	2.0
117.10988	1.0
119.08568	1.4
127.03909	1.1
135.08012	1.9
135.11649	47.0
136.08374	1.8
153.09091	1.8
153.12698	100.0
154.09377	4.1
160.25220	1.0
171.10126	1.9
171.13757	1.8
172.10461	2.0
189.05157	4.1
193.92474	1.0
201.89359	0.9
275.34732	0.9
351.10464	16.7
351.16110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	60.0
72.81349	1.6
72.99487	1.8
73.11607	1.6
74.57572	1.7
77.69442	1.7
84.96007	2.7
89.73651	1.8
97.91985	1.7
98.97543	50.2
112.99093	2.6
116.98576	28.6
119.01875	3.5
124.99099	23.0
127.00658	2.5
127.73224	1.8
131.00148	2.7
133.78409	2.0
134.99606	14.7
139.00522	2.0
141.02132	3.6
143.00114	71.5
143.01903	2.1
145.01674	3.2
145.03418	2.8
152.98573	8.1
153.00626	2.0
157.01637	3.5
158.99490	2.3
159.03218	11.4
161.01161	60.1
167.00079	2.8
169.01598	9.0
170.99582	37.9
173.02849	3.3
175.04468	2.5
179.02153	3.4
185.01149	32.6
186.99115	2.9
187.02763	15.1
189.00639	59.8
197.02399	1.8
201.00566	2.5
203.02199	26.2
203.03926	5.1
205.00140	7.2
206.05464	2.9
207.01770	14.4
213.00629	20.4
214.84955	9.6
221.03128	4.3
221.05069	4.3
231.01668	35.4
245.04990	2.9
249.02731	46.3
267.03790	23.2
273.02628	2.8
273.69247	2.0
276.91260	2.1
285.04785	12.5
287.61307	2.4
291.03687	48.0
309.04776	100.0
317.23096	2.4
327.05957	9.0
332.06168	2.5
351.07214	2.4
362.02347	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	3.0
57.03410	3.1
58.48241	2.9
67.10774	2.6
68.47980	3.2
69.03418	4.9
70.03702	2.9
78.40422	3.0
79.39294	2.5
85.02863	7.3
87.25227	3.4
92.09361	3.2
98.97524	6.6
101.00846	5.1
119.01865	13.2
124.18107	3.5
129.03114	4.0
133.77596	3.1
145.03516	4.6
154.05528	3.0
157.03360	7.2
161.01128	4.0
169.04349	3.9
175.04428	4.0
179.05504	4.5
223.06560	7.8
238.05293	3.5
239.04401	4.7
259.30737	3.3
260.08334	7.6
304.27963	3.1
351.06729	100.0
351.10419	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	350.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32368	1.0
51.35485	1.0
53.00283	1.0
53.03909	2.2
55.01857	2.2
55.05492	12.0
57.03405	6.1
57.07050	1.5
59.04971	5.5
61.02895	8.5
65.11581	1.1
67.05481	9.7
69.03402	17.1
69.07045	27.6
71.04964	5.6
72.52787	1.1
73.02866	5.3
77.09406	1.1
79.05453	11.4
81.03374	8.2
81.07034	20.3
83.04951	9.5
85.02371	2.3
85.02879	55.9
85.06491	5.2
91.05453	16.8
91.83161	1.1
93.07011	100.0
95.04937	2.9
95.08584	20.0
97.02862	11.9
97.06492	14.0
97.57426	1.3
99.04418	1.6
105.06991	11.3
107.08559	76.1
109.02860	2.7
109.06482	2.4
109.10118	28.2
119.08508	3.3
127.03890	7.6
135.11647	65.5
137.13203	1.3
145.04907	5.9
146.19484	1.2
147.04369	2.3
153.12677	27.0
163.05920	1.4
181.39468	1.2
338.41974	1.3
350.29373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01832	0.9
55.05490	8.7
56.26159	0.6
57.03418	1.5
57.07065	0.8
61.02898	1.2
67.05492	7.0
69.03408	5.0
69.07041	6.9
71.04961	1.2
72.48245	0.7
79.05455	16.1
81.07027	10.4
83.04961	1.4
83.08586	1.8
85.02872	18.6
91.05445	15.5
93.07005	84.4
95.04938	4.0
95.08565	22.2
97.02841	3.7
97.06494	11.3
100.11228	4.0
104.52985	0.8
105.04494	0.9
105.06987	8.4
107.08557	100.0
109.02862	1.2
109.06470	3.4
109.10123	4.2
119.06010	1.2
127.03859	1.9
135.11642	46.9
145.04951	1.4
153.12682	8.4
163.98891	0.7
171.71790	0.7
203.88519	1.0
313.32645	0.8
332.23785	0.9
338.79227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.3
55.05497	8.7
57.03419	6.6
57.07059	7.3
59.04974	2.8
61.02910	2.2
67.05474	5.5
69.03397	10.6
69.07048	48.9
71.04614	2.4
71.04968	29.5
73.02885	2.5
73.06534	5.0
79.05479	9.8
81.03396	3.1
81.07028	42.3
83.08584	11.0
85.02879	49.8
91.03892	1.9
91.05453	8.4
93.07014	43.1
95.04952	1.5
95.08588	8.8
97.02867	7.6
97.06519	5.5
99.04434	1.9
105.07001	5.4
107.08569	36.1
109.02841	5.2
109.06541	1.7
109.10140	12.5
114.35360	1.2
117.06979	1.5
119.08556	6.0
123.80250	1.2
125.13243	7.8
127.03895	6.0
131.08527	1.9
135.11655	44.5
145.04936	2.4
147.11671	1.5
153.12704	100.0
163.06038	1.9
261.14749	2.3
297.16818	2.5
315.17960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17217	0.1
51.79927	0.1
53.00289	1.2
53.03925	0.4
55.01850	0.3
55.05494	2.7
57.03427	0.8
57.07055	0.7
59.04977	2.5
60.04468	0.2
61.02899	1.0
67.05483	1.7
69.03409	1.7
69.07039	5.4
71.04964	28.0
73.02873	0.2
73.06524	7.6
79.05463	5.4
81.03384	0.6
81.07025	34.0
83.08595	0.7
85.02879	5.5
85.06501	0.3
91.05433	2.0
93.07007	21.4
95.04923	0.2
95.08566	5.0
97.02845	1.6
97.06483	2.3
101.02415	0.2
105.06983	0.9
107.08559	17.9
109.02824	0.3
109.06470	0.2
109.09396	0.3
109.10116	6.3
111.08059	1.0
119.08533	0.7
127.03850	0.7
135.11647	36.4
145.04933	0.3
153.12694	100.0
154.13020	0.8
171.13719	0.8
182.64497	0.2
297.16721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
53.96572	0.6
55.01845	1.3
55.05500	5.9
57.03411	1.7
57.07050	2.9
61.02902	1.7
67.05473	6.1
68.39590	0.7
69.03406	7.2
69.07040	11.8
71.04952	7.2
73.02892	1.5
79.05461	49.3
81.03384	1.6
81.07028	11.6
83.04941	1.4
83.08591	1.7
84.28928	0.6
85.02879	28.2
85.06521	6.5
90.76927	0.8
91.05451	12.1
93.07005	64.5
95.04946	1.9
95.08574	6.2
97.02856	7.6
97.06488	7.3
98.86107	0.7
99.04424	1.4
105.03380	1.6
105.06993	5.8
107.04922	4.8
107.08562	65.8
109.02862	3.1
109.06479	6.6
109.10127	4.4
111.08051	5.2
115.05489	0.8
117.06990	4.0
117.65448	0.7
121.10110	1.0
125.09592	7.7
127.03878	4.2
135.08022	26.5
135.11647	100.0
145.04907	4.3
153.09062	19.0
153.12694	7.2
163.05888	2.4
171.10097	8.5
189.05341	0.9
231.06528	0.9
297.17160	1.1
300.05463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01849	2.0
55.05487	1.0
56.34115	0.5
56.51825	0.3
57.03413	1.0
61.02898	2.5
65.03913	6.8
67.05478	0.6
68.99767	3.2
69.03397	5.3
70.06558	4.7
71.04935	0.6
73.02881	0.9
76.55848	0.5
81.03394	3.5
82.06550	7.0
83.04967	4.3
84.86615	0.4
85.02875	20.4
87.18201	0.4
87.89881	0.4
91.03934	0.5
91.05476	0.4
92.09350	0.5
92.10700	0.4
93.03373	3.7
96.51172	0.4
97.02858	8.1
98.97544	0.5
103.90997	0.4
107.04884	0.6
109.02859	0.9
111.04407	44.4
112.07561	4.1
116.07033	0.9
121.03950	3.5
127.03870	3.0
135.04352	0.6
139.03856	100.0
141.29033	0.4
145.04932	1.9
146.17024	0.4
153.05411	1.5
153.06534	11.8
156.04163	3.0
158.08060	2.9
163.03862	1.7
169.09627	0.6
171.06462	69.9
180.08649	0.6
188.12653	0.5
195.07625	0.5
275.65527	0.5
280.84787	0.5
315.11935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42859	0.4
53.89624	0.4
55.01842	1.1
55.05487	1.7
57.03402	1.9
61.02883	2.8
61.42255	0.4
65.03915	5.3
67.05480	0.6
68.99763	2.5
69.03400	5.1
70.06564	1.0
71.04958	0.5
73.02885	0.5
78.79926	0.4
81.03383	3.1
82.06549	6.9
83.04948	5.4
83.76344	0.4
85.02871	18.9
87.04408	0.4
91.03895	0.5
93.03374	3.2
97.02851	5.6
98.57276	0.5
99.04423	0.7
100.07643	0.5
103.36077	0.4
109.02842	2.7
111.04407	46.0
112.07583	0.7
121.03973	3.6
127.03871	2.5
127.43122	0.4
135.04347	1.0
139.03857	100.0
141.05397	0.5
145.04916	1.8
150.94090	0.5
153.05397	2.1
153.06526	12.4
156.04121	4.4
163.04111	0.7
170.09863	0.5
170.43695	0.5
171.06458	63.3
180.08539	0.5
195.07599	1.8
265.18332	0.6
268.17358	0.5
299.99219	0.5
309.49612	0.4
315.11807	0.8
367.49344	0.5
374.46143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2728
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01841	1.1
55.05492	10.4
57.07056	1.2
67.05473	6.7
69.07043	17.3
71.04926	1.2
71.08578	1.0
79.05456	4.6
81.07030	13.5
82.68624	1.1
83.04922	1.4
83.08601	7.5
85.08677	0.9
91.05442	4.7
92.09371	2.3
93.07024	7.6
95.08566	12.4
97.06512	1.2
97.93179	1.0
105.07002	4.6
107.08553	8.1
109.06471	14.5
109.10080	1.9
111.08075	1.4
117.06965	1.0
119.08545	5.4
121.06457	1.4
121.10078	5.6
123.08025	100.0
123.11655	2.2
133.10083	2.1
135.08026	12.1
135.11632	4.5
137.09570	5.7
147.11662	1.5
149.09520	1.6
159.11664	1.4
161.13184	1.3
165.12726	1.1
179.14293	9.3
224.24001	1.0
275.19910	1.8
293.20969	21.4
331.26147	2.3
349.27252	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	349.2729
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05476	2.5
57.07054	6.9
58.95092	0.5
60.23535	0.5
67.05470	3.0
69.07030	3.0
71.08584	1.0
72.01543	0.6
72.72862	0.5
79.05461	2.2
81.07024	5.3
84.22339	0.6
84.69527	0.7
85.06531	4.4
91.05434	1.2
93.06988	1.2
95.08565	5.6
105.06997	1.4
109.06490	22.8
109.10098	1.3
119.08524	1.2
121.10092	1.4
122.07230	1.4
123.08020	31.1
131.08534	0.6
133.10101	0.7
135.08038	2.5
160.01579	0.6
179.14246	100.0
193.15842	2.7
240.68079	0.6
331.26010	0.7
349.27243	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	349.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58955	7.7
55.05483	17.1
57.07077	8.4
57.29239	6.6
59.60723	9.5
67.05470	46.8
69.07029	18.6
79.05450	42.0
81.07040	54.7
87.04425	43.8
91.05448	49.5
93.07011	63.2
95.04922	14.9
95.08563	100.0
105.06519	6.1
105.07024	92.1
107.08557	38.1
109.10126	41.0
117.06992	10.1
119.08518	74.8
121.10081	79.5
123.11669	13.0
128.06157	11.0
129.06952	31.4
131.08530	38.6
133.10112	42.7
138.07553	7.9
142.07735	18.3
143.08484	35.0
144.09303	12.8
145.10062	44.1
147.07990	9.9
147.11679	12.7
157.10085	46.8
159.11665	12.3
169.10155	16.9
171.11681	12.3
181.10149	9.9
183.11612	16.1
195.11668	11.9
209.13213	14.2
227.14243	9.7
301.10303	8.4
304.74936	8.9
339.36682	7.9
349.25278	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	349.2726
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01842	0.9
55.05497	9.6
57.07053	1.0
57.74264	0.7
67.05470	5.5
67.31434	0.7
69.07043	15.4
70.68058	0.7
71.04955	0.7
78.94620	0.7
79.05453	4.5
80.61857	0.8
81.07012	13.3
83.08593	5.8
92.08719	1.1
93.07015	6.7
95.08580	12.0
97.06510	1.2
105.06992	3.7
107.08538	8.1
109.06482	17.2
109.10104	4.5
111.08046	3.5
114.35556	1.0
119.08545	4.7
121.10079	5.1
122.07231	1.4
123.08021	100.0
123.11610	2.0
125.09560	0.9
133.10085	4.9
135.08041	7.7
135.11615	1.7
137.09552	6.0
145.10086	1.4
147.11586	3.2
149.09547	0.9
149.13237	0.9
154.70227	0.9
159.11604	1.4
163.11127	0.9
173.13254	1.1
177.12689	0.8
179.14256	4.0
201.24533	0.8
257.45813	0.9
271.11115	0.8
275.19943	1.6
293.20978	24.5
319.39410	0.8
331.26175	1.4
349.27237	81.2
350.27686	0.8
373.92249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.5
53.64846	1.2
55.01851	5.9
55.05496	9.6
57.03419	12.9
57.07069	3.1
59.04977	3.1
59.10771	1.5
61.02908	14.8
63.89406	1.3
67.05486	14.4
69.03405	32.6
69.07042	21.4
70.26570	1.4
71.04967	38.6
73.02893	2.3
79.05463	18.9
81.03400	14.8
81.07029	100.0
83.04960	7.5
83.08596	2.1
85.02878	92.1
87.04449	1.9
91.05452	8.7
93.06998	15.7
93.82068	1.3
95.04920	2.7
95.08566	9.8
97.02856	19.7
97.06487	6.4
99.04436	6.4
99.08058	8.6
105.06991	18.2
107.08559	21.8
109.02843	10.8
109.06483	5.3
109.10128	25.7
111.08025	3.4
111.11695	3.2
121.10094	2.5
123.08021	1.9
123.11664	47.2
127.03891	11.9
133.10112	14.4
139.11147	13.1
141.12691	1.4
142.45087	1.4
145.04938	7.4
151.11153	31.3
153.05447	1.6
157.12218	7.2
169.12177	68.6
171.13824	1.7
185.04141	23.8
187.03638	6.9
187.13234	25.6
243.71060	1.5
349.08820	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1848
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.00291	1.6
53.03926	1.6
54.38742	0.7
54.80825	0.8
55.01839	3.6
55.05496	7.4
57.03408	6.0
57.07053	3.6
59.04972	4.8
60.41280	0.9
61.02902	7.6
67.05487	10.4
69.03407	19.6
69.07037	20.1
71.04964	28.8
73.02861	1.1
79.05459	16.5
81.03379	7.1
81.07028	100.0
83.04944	6.0
83.08593	1.3
85.02876	60.0
85.06499	1.0
87.04426	1.7
89.05977	2.0
91.05436	4.1
93.07004	8.4
95.04921	3.9
95.08563	5.3
97.02869	15.1
97.06490	5.6
97.10132	1.0
99.04381	1.6
99.08053	6.0
105.06992	5.9
107.04941	1.7
107.08551	12.1
109.02826	5.6
109.06489	3.5
109.10126	16.6
109.65681	0.8
111.08049	3.9
111.11684	8.5
112.52259	0.9
115.08886	0.8
121.06422	1.2
121.10089	3.5
123.08012	1.3
123.11662	46.5
125.09490	1.0
127.03888	7.0
127.07536	1.0
129.19713	0.8
133.10080	4.7
133.39905	0.9
139.11131	17.4
145.04930	4.3
151.11139	14.7
157.12195	8.9
169.12181	64.7
171.10147	1.1
176.61145	0.9
187.13219	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1849
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.95833	0.9
53.03922	1.0
54.81533	1.2
55.01850	6.8
55.05485	9.3
57.03405	2.3
59.04980	29.8
61.02896	1.9
67.05489	9.8
69.03397	8.0
69.07035	2.8
71.04972	10.2
71.05280	1.1
79.05454	10.9
81.03400	1.6
81.07024	54.0
82.66762	1.0
82.80837	1.0
83.08599	2.7
85.02882	16.0
85.06510	7.4
87.04433	10.9
89.05975	2.0
90.14832	1.1
90.52457	1.2
91.05437	21.9
93.07006	100.0
95.04929	8.9
95.08558	6.3
97.02863	1.9
105.06991	23.2
107.08566	13.6
109.02827	1.6
109.06482	7.0
109.10111	14.1
111.08040	40.3
121.10115	8.9
123.08077	1.2
123.11646	16.7
133.10086	18.4
142.98662	1.3
146.44101	1.2
151.01614	1.2
151.11130	28.9
169.12172	37.5
187.13257	11.9
193.84756	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22747	0.7
53.03924	3.3
55.01857	6.9
55.05494	7.5
57.03423	3.5
57.07048	1.7
59.04693	1.0
59.04985	28.9
61.02900	1.7
61.38609	0.6
67.05483	9.2
69.03402	7.1
69.07045	4.3
71.04971	8.7
79.05453	9.1
81.03385	1.8
81.07027	63.9
83.04928	0.9
83.08578	5.1
85.02877	17.0
87.04441	12.8
89.06003	1.9
90.93954	0.8
91.05441	18.0
93.07008	100.0
95.04929	8.9
95.08559	7.7
97.02860	1.9
97.06518	1.0
105.06995	27.8
107.08567	12.3
109.06514	6.7
109.10120	9.0
111.08047	42.5
113.05993	0.9
121.10098	8.2
123.08038	3.7
123.11663	18.6
127.03854	1.1
133.10092	16.7
135.11647	1.4
135.72266	0.8
142.18977	0.8
142.23097	0.8
151.11145	28.1
153.12741	1.0
169.12178	44.3
170.12511	1.9
187.13248	7.4
215.09151	1.1
264.31573	0.9
268.76950	0.8
345.16977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25700	1.7
55.05492	3.1
57.03414	4.9
59.04978	48.2
60.25690	2.0
61.02893	3.4
67.05509	7.9
69.03403	9.1
69.07043	3.4
69.85460	2.0
71.04971	2.5
79.05467	10.9
81.03388	4.8
81.07028	25.1
82.06593	3.5
83.04935	3.3
85.02879	35.8
91.03893	2.3
91.05457	36.4
91.77808	2.0
92.09422	3.9
93.07009	100.0
95.04946	11.1
95.08563	12.3
97.02876	4.8
99.04406	2.8
105.06985	32.9
105.34116	1.9
107.08576	9.7
109.02869	3.0
109.10118	4.8
111.08053	30.4
114.85751	2.4
121.10085	3.8
123.11655	9.3
127.03871	3.0
131.42990	2.1
133.10083	46.8
145.04878	2.7
147.59483	2.2
151.07504	5.5
151.11147	11.8
152.07858	3.5
163.03873	2.9
167.06999	3.5
169.12196	28.9
238.77608	2.4
359.03159	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	349.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	51.6
57.03408	9.1
61.02903	33.0
67.94114	5.5
69.03409	23.0
83.21052	5.9
85.02878	22.3
98.97565	10.7
98.98434	100.0
100.99092	7.9
101.00866	8.5
103.02439	22.7
113.02386	6.7
116.98593	10.3
117.03975	10.1
119.01888	52.4
121.03439	8.9
121.75111	5.5
128.98532	10.3
131.01875	23.4
135.04996	27.7
136.06161	35.1
140.99454	43.3
144.98047	6.2
145.03409	66.1
146.99632	11.6
147.01480	5.8
149.02959	10.0
150.01805	8.4
161.02930	6.7
161.06519	5.4
163.04486	21.6
165.00653	8.5
169.03418	11.9
171.01398	6.6
171.04985	26.8
172.95180	8.7
175.04462	8.3
177.00694	6.6
186.99959	10.6
187.04475	33.3
189.00851	8.2
189.02441	13.3
189.06061	9.8
190.98550	8.6
193.00134	6.8
197.02907	10.8
199.04539	25.6
208.99680	22.4
215.03995	12.3
217.01901	7.2
224.65395	5.4
225.02467	6.0
235.02884	7.9
243.03395	7.2
251.02313	8.8
331.01059	10.4
331.05188	9.1
349.01981	6.6
349.05771	8.5
349.10815	8.5
363.15549	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	348.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08519	0.3
51.49429	0.3
53.03928	0.8
55.01850	0.5
56.96562	0.5
57.03419	2.2
58.35347	0.4
61.02911	2.7
61.34684	0.3
67.05470	1.6
69.03403	6.3
70.06544	0.3
71.04950	1.5
71.99647	0.4
73.02866	0.7
79.44877	0.3
80.15257	0.3
81.03391	2.3
83.91856	0.4
85.02876	22.4
86.09673	0.4
87.04427	0.5
91.03883	0.4
95.04931	2.8
97.02853	6.6
99.04413	0.5
101.02354	0.4
102.05382	0.4
109.02824	1.9
120.14146	0.4
123.04386	100.0
127.03862	3.1
136.06137	10.1
145.04913	2.4
151.03856	18.8
163.03839	0.6
169.04900	25.6
180.08652	0.9
186.07536	1.4
257.63885	0.4
348.12869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01863	1.1
57.03422	1.8
59.04980	1.7
61.02915	4.1
61.88320	1.0
66.73885	1.1
69.03417	9.7
73.02910	1.5
81.03416	3.7
81.07048	1.5
85.02875	29.4
91.05444	23.5
93.07026	7.4
95.04932	4.8
97.02841	8.8
99.04472	1.4
105.07001	1.7
109.02856	2.7
111.08082	1.6
119.04894	21.3
123.04361	1.6
123.08065	1.1
124.07591	2.5
127.03869	2.6
133.10101	5.9
136.05174	2.5
136.06148	1.4
137.05971	1.7
151.07504	100.0
169.08588	7.1
169.12233	1.3
174.89674	1.0
174.91237	1.2
332.83386	1.2
353.98108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79619	1.1
55.01852	7.8
55.05243	1.9
55.05496	50.8
56.96526	2.4
57.03182	1.1
57.03411	11.6
57.07056	2.4
58.13024	1.3
59.04978	3.4
60.86134	1.2
67.05480	100.0
67.89301	1.4
69.03412	2.1
69.07041	28.2
70.90157	1.3
71.04964	6.0
71.08603	19.1
71.21909	1.2
75.97565	1.5
77.90212	1.2
79.05462	34.0
81.03385	2.3
81.07027	96.1
83.04951	10.0
83.08595	38.6
85.06526	5.6
91.05453	26.0
93.07006	58.5
95.04922	8.4
95.08568	32.3
97.06496	11.7
97.10132	24.4
99.08043	11.8
100.99998	1.3
105.07008	15.8
107.08564	38.1
109.06474	3.2
109.10130	54.6
111.08068	12.1
117.06995	10.1
119.08531	13.5
121.06406	2.0
121.10104	13.5
123.08025	1.8
123.11680	5.6
125.09586	15.4
129.06958	2.0
131.08522	9.4
133.10095	18.0
135.07977	1.6
135.11633	14.9
137.09625	2.6
139.11124	5.7
147.11679	3.3
149.13234	27.5
151.11134	10.9
155.10646	2.7
159.11632	12.5
161.13217	3.4
163.11174	7.4
165.12701	2.2
169.12332	1.6
173.11678	54.4
177.12674	6.7
179.14267	2.7
189.11179	10.6
195.13737	35.2
213.14803	31.2
214.18799	1.7
221.31952	1.4
259.20428	2.3
277.21518	30.0
295.22644	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	348.0694
Annotation	3'-AMP
Peak:m/z	Relative Intensity
53.03931	0.3
55.01854	1.1
55.05488	0.5
56.96335	0.3
56.96550	4.3
57.03413	1.3
61.02896	1.5
62.57710	0.3
67.05447	0.3
69.03413	4.0
70.06544	0.3
71.04968	0.3
72.08121	1.1
73.02886	1.9
81.03387	1.2
81.04478	0.3
83.04932	0.5
84.08113	0.6
84.96019	0.3
85.02876	5.7
86.09673	8.7
87.04427	0.5
90.42757	0.3
95.04939	1.0
97.02206	0.3
97.02853	9.8
98.97551	5.5
98.98178	0.4
98.98409	0.3
99.04415	0.5
101.00851	0.5
102.05525	0.4
107.04895	0.3
109.02855	0.7
109.05273	0.3
110.79255	0.3
110.97578	0.4
111.04387	0.5
111.40552	0.3
115.02394	0.3
116.98586	3.7
118.03516	0.5
119.01862	4.6
119.03515	0.4
121.06427	1.1
122.05975	1.2
123.04401	1.6
124.92559	0.3
127.03891	1.7
128.98564	0.5
129.03038	1.5
131.00183	0.3
131.01866	0.4
132.10164	2.7
133.03474	0.5
134.99603	1.4
136.06140	100.0
137.02950	1.2
137.04552	1.8
142.03479	0.7
143.00125	0.5
143.01854	1.0
145.01642	0.3
145.03391	0.3
145.04958	0.4
146.99608	0.5
147.04329	0.3
149.01230	0.6
150.05487	2.1
151.03839	0.6
155.01993	0.3
157.03375	0.5
158.99611	1.4
160.04529	2.5
161.01176	1.3
161.02901	3.6
162.02960	0.5
163.04355	0.4
165.00642	0.3
167.06993	0.7
168.06526	1.9
169.04861	0.6
173.02875	1.1
174.99059	0.4
175.04399	0.6
177.00700	2.1
178.05624	1.1
189.00606	0.4
192.04579	1.3
195.01712	0.3
202.05753	0.4
203.04030	0.4
215.00368	0.3
219.01595	0.7
220.03503	0.4
221.05016	0.6
233.01437	0.3
237.02750	1.5
239.04332	1.5
240.04718	0.5
245.04961	1.4
245.07674	0.6
248.99203	0.7
250.99635	0.4
257.07776	0.4
267.00302	0.5
268.00653	0.3
268.99905	0.3
274.03888	0.4
289.07623	0.3
292.05151	0.3
325.07788	0.3
341.60678	0.3
348.06796	4.2
349.23917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13732	0.5
50.24681	0.5
53.17461	0.5
56.96558	1.9
62.84100	0.5
66.12713	0.6
75.38586	0.6
98.92741	0.6
105.06963	0.8
175.66396	0.7
179.14241	0.6
347.25464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37934	1.0
55.05491	26.8
57.07052	20.1
67.05152	1.7
67.05478	24.9
69.07038	65.3
71.04964	1.5
71.08585	6.3
71.27977	1.2
79.05460	16.0
81.07027	100.0
82.07336	1.3
83.08590	32.9
83.09053	2.7
85.06509	6.5
91.05457	2.5
93.07000	28.5
93.46310	1.3
95.08568	92.1
97.06493	5.2
97.10124	18.2
99.08035	6.2
105.07007	4.5
107.07874	2.3
107.08551	34.8
109.10118	56.1
110.10383	1.3
111.08046	5.0
111.11670	11.5
121.10099	15.8
123.11648	32.7
125.09591	1.4
125.13210	5.2
135.11627	12.0
137.13210	15.5
149.13216	23.9
151.14771	6.4
153.12709	1.7
153.36926	1.2
162.06541	1.4
163.14769	9.1
167.14241	6.5
177.16315	2.4
179.17807	2.2
191.17860	1.7
193.19490	2.2
249.25731	2.3
274.16730	1.6
275.27255	11.0
293.28290	18.0
302.60022	1.4
311.29352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2183
Annotation	Cortexolone
Peak:m/z	Relative Intensity
54.58873	1.9
57.07047	4.8
57.37894	1.8
70.14250	2.0
75.15365	1.8
92.46603	2.1
93.06976	3.3
95.08558	3.4
133.10042	2.5
135.07936	3.2
149.02266	2.5
159.97159	2.2
162.46695	2.2
167.35602	2.1
193.04967	8.2
224.65535	2.9
236.76942	2.6
295.66782	2.2
347.17828	4.1
347.21820	100.0
347.26035	4.5
347.53952	2.4
369.62784	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	3.1
65.94283	2.4
73.53945	3.1
81.07048	3.9
95.08548	3.3
105.07025	3.5
133.10126	4.4
135.08055	12.3
139.73538	3.2
149.02344	6.1
166.93402	3.2
177.12720	3.4
190.59772	2.7
193.04926	19.0
293.35223	3.3
347.21811	100.0
347.25830	6.7
347.33716	2.9
347.77313	3.1
362.91028	3.4
368.55292	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	347.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.8
55.01874	2.6
55.05497	17.0
57.03423	3.5
57.07049	4.7
59.04982	2.1
62.92318	1.7
64.30481	1.9
67.05482	27.6
69.03409	9.2
69.07039	29.1
71.04964	54.5
73.06516	14.1
79.05460	13.9
81.03389	3.4
81.07029	24.5
83.08585	13.7
85.02871	19.5
88.98943	2.0
91.05465	11.5
93.07005	30.8
94.07358	1.8
95.08571	100.0
97.02883	2.5
97.06513	3.1
105.07017	13.1
107.08565	43.8
107.23896	2.3
109.06453	2.8
109.10112	27.9
109.10714	2.2
119.08562	11.4
121.10109	21.9
123.11653	7.9
125.09683	1.8
129.06978	2.5
131.08551	10.3
133.10106	4.9
143.08582	2.7
145.10101	9.3
149.13211	41.0
157.10109	7.6
159.11633	2.1
167.06953	3.4
167.12845	4.1
167.14250	99.7
171.07985	9.4
171.11546	2.2
173.13162	3.0
185.13069	1.9
189.09038	4.6
207.10179	2.0
321.77759	2.1
329.20969	4.1
347.22113	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	347.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.64883	1.2
55.01844	3.2
55.05479	3.8
57.03402	8.2
57.07016	1.6
57.87982	1.3
59.04975	1.6
61.56117	1.2
62.23855	1.5
67.05473	6.8
69.03384	9.7
69.07037	3.1
71.04969	2.5
73.51430	1.4
75.04437	8.3
76.31162	1.5
79.05466	16.5
81.03369	1.8
81.07024	20.0
85.02885	20.0
87.04443	2.2
91.05455	22.1
93.07007	100.0
95.04923	8.5
95.08567	17.5
97.02853	2.5
97.06447	5.6
103.05450	3.0
105.07005	16.8
107.04929	6.5
107.08546	9.7
109.10113	6.6
111.08043	14.9
119.08551	3.1
121.06413	3.5
121.10091	97.5
123.08016	5.9
123.11656	10.0
125.05980	3.5
128.06209	2.3
129.06938	3.4
131.04860	1.7
131.08530	1.6
133.10063	1.5
139.11154	11.5
147.04372	9.3
147.07924	1.8
149.05936	2.1
149.09523	6.1
166.06165	1.9
167.06961	9.9
167.10658	12.7
167.14195	1.8
169.12079	1.4
175.07460	7.6
181.06377	1.6
181.08435	5.3
195.07985	2.0
347.16458	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	347.1686
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.03938	2.0
53.64883	1.2
55.01844	3.2
55.05479	3.8
57.03402	8.2
57.07016	1.6
57.87982	1.3
59.04975	1.6
61.56117	1.2
62.23855	1.5
67.05473	6.8
69.03384	9.7
69.07037	3.1
71.04969	2.5
73.51430	1.4
75.04437	8.3
76.31162	1.5
79.05466	16.5
81.03369	1.8
81.07024	20.0
85.02885	20.0
87.04443	2.2
91.05455	22.1
93.07007	100.0
95.04923	8.5
95.08567	17.5
97.02853	2.5
97.06447	5.6
103.05450	3.0
105.07005	16.8
107.04929	6.5
107.08546	9.7
109.10113	6.6
111.08043	14.9
119.08551	3.1
121.06413	3.5
121.10091	97.5
123.08016	5.9
123.11656	10.0
125.05980	3.5
128.06209	2.3
129.06938	3.4
131.04860	1.7
131.08530	1.6
133.10063	1.5
139.11154	11.5
147.04372	9.3
147.07924	1.8
149.05936	2.1
149.09523	6.1
166.06165	1.9
167.06961	9.9
167.10658	12.7
167.14195	1.8
169.12079	1.4
175.07460	7.6
181.06377	1.6
181.08435	5.3
195.07985	2.0
347.16458	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	347.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.4
54.80835	1.0
55.01854	1.4
55.05484	3.5
57.03405	5.7
57.03685	0.6
61.02900	0.9
65.09686	0.8
67.05463	1.5
69.03396	3.8
70.96953	0.7
71.04953	1.4
71.62569	0.8
75.04427	2.0
79.05452	7.8
81.07017	8.1
83.04941	1.0
85.02886	9.1
85.03340	1.3
85.06493	1.1
91.05441	8.4
93.07003	60.3
95.04926	4.8
95.08572	5.8
97.02831	3.5
97.06491	1.9
103.05424	1.0
105.04501	1.0
105.06990	7.0
107.04923	4.7
107.08536	4.3
108.05255	1.1
109.10119	1.1
111.08044	8.7
119.08547	1.8
121.06478	0.9
121.10097	61.1
123.07985	1.4
123.11634	1.6
125.05925	1.2
131.08488	1.7
139.11128	7.3
145.67842	0.9
149.09601	4.5
167.06952	1.2
167.10620	9.9
177.86861	0.8
180.09914	0.7
180.13329	0.9
185.11469	1.8
188.73422	0.8
191.57141	0.9
223.38509	0.9
238.18625	0.9
347.16626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1483
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03919	3.6
55.01851	7.6
55.05481	3.6
55.13873	1.6
57.03416	1.8
60.15706	1.8
67.05475	8.5
69.03407	6.7
69.07029	3.8
71.04957	1.9
78.04673	2.3
79.05463	23.5
81.07021	11.9
83.08552	1.7
85.02869	10.8
91.05447	44.8
93.07008	23.8
95.04945	13.2
95.08566	13.9
97.02850	3.0
103.05428	18.6
105.06985	14.9
107.04928	48.7
107.08540	3.1
109.06459	3.5
109.10149	6.8
111.04427	2.3
111.08044	2.4
115.05405	4.0
116.06189	2.9
116.69446	1.7
117.06985	7.0
119.04903	13.7
119.08552	11.0
121.06466	39.4
121.10101	7.6
123.04401	28.9
123.11637	9.3
124.05196	4.1
125.05941	6.9
127.03915	1.9
128.06190	13.2
129.06976	47.1
131.04897	11.0
131.08521	8.9
133.02792	6.7
133.06430	7.6
134.03551	3.8
135.04367	7.6
137.05931	31.2
138.03075	1.9
140.04678	3.1
141.06915	3.2
145.06435	8.9
147.04364	48.9
147.08018	17.7
148.05107	2.2
149.05930	25.4
149.09595	2.1
149.13206	2.4
151.03838	2.8
151.07509	4.6
152.04660	8.8
152.06149	4.5
153.05406	20.3
153.06924	8.3
155.08517	3.1
157.06424	20.3
160.05138	7.6
161.05904	13.8
163.07487	4.0
165.05389	13.3
165.06947	16.2
166.06233	14.8
166.07559	2.6
167.06993	100.0
167.08453	11.4
167.14290	7.4
169.06393	2.2
173.06006	2.4
175.07486	64.9
176.04510	1.8
176.06041	3.7
177.06902	3.6
179.07034	3.2
179.08545	1.9
180.07748	11.2
180.09230	2.0
181.05011	2.7
181.06409	15.4
181.08531	57.5
181.10008	3.6
182.07205	4.3
183.08000	3.7
185.05930	2.4
189.08948	2.7
190.07761	2.7
191.08458	4.4
193.06468	7.3
193.08472	4.4
194.07205	4.7
195.07977	23.0
197.05898	7.7
197.09578	4.4
198.06668	13.0
199.07529	3.1
207.08064	2.4
208.08667	6.5
209.05893	3.8
209.09561	7.1
210.06677	8.8
211.07465	12.4
212.08115	4.1
213.05478	8.2
213.09041	4.5
219.07971	7.6
221.05905	2.7
222.06688	3.6
223.07468	19.4
223.11052	3.5
225.08961	3.8
226.06178	8.8
227.07045	4.1
228.07761	2.7
236.08234	3.3
237.08963	4.1
239.06911	8.2
240.07680	8.2
241.08633	7.4
243.06601	2.3
243.10080	3.7
247.07382	4.0
250.06120	2.0
251.06960	6.9
251.10481	4.5
253.08510	3.0
254.05791	2.6
254.09088	2.2
255.06270	2.5
255.09917	2.5
265.08530	3.4
268.07352	2.4
269.07999	10.7
269.11514	3.1
271.09592	8.7
279.10281	2.5
283.09708	4.4
283.13031	3.4
288.09860	7.3
297.11099	4.3
301.10565	21.2
303.12177	8.0
329.13672	14.1
347.14621	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	347.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.80629	0.9
57.26178	0.7
61.02885	0.9
69.03399	3.3
84.08111	0.9
85.02857	6.1
92.08678	3.0
97.02846	1.7
109.06492	1.5
116.98543	0.9
127.03789	1.0
135.04355	1.1
137.02298	13.3
137.05864	1.1
143.28847	0.8
163.03885	4.8
164.04051	0.8
164.71417	0.8
167.06726	1.3
185.04141	1.9
185.07776	13.4
194.82762	1.1
203.05157	6.1
209.99298	1.0
220.83076	0.9
223.36331	0.8
252.66078	0.9
285.13049	3.7
301.12442	23.0
347.13007	100.0
347.16730	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	347.1481
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
50.15773	1.5
51.07288	1.7
53.03920	2.6
55.01856	10.9
55.05495	2.9
56.96539	3.3
60.86897	1.8
62.89069	1.9
65.03894	3.3
67.05479	4.8
69.03397	3.7
69.52519	1.8
69.64628	2.0
71.04949	2.7
72.36061	2.0
73.20776	2.1
79.05450	28.2
79.21799	2.2
81.03422	1.9
81.07030	8.7
83.04937	2.8
85.02869	3.7
91.05442	52.0
93.06993	19.2
95.04921	19.6
103.05433	19.7
105.03374	2.4
105.06978	12.1
106.04108	4.5
107.04914	49.3
111.04404	3.0
115.05412	4.5
117.06980	9.4
119.04903	14.6
119.08532	9.7
120.05652	2.6
121.06458	35.9
121.10122	2.3
122.03576	2.2
123.04373	29.3
124.05147	9.1
125.05910	9.3
128.06155	17.5
129.06061	3.4
129.06967	59.9
131.04860	13.5
131.08533	9.1
133.02834	5.3
133.06490	5.1
134.03607	2.2
135.04366	9.3
137.05927	34.0
140.04697	2.7
145.06451	10.6
147.04359	64.2
147.08003	22.3
148.05104	2.4
149.05922	35.7
150.06691	4.2
151.03836	9.7
151.07494	14.2
152.04579	9.0
152.06088	3.6
153.05405	21.3
153.06821	4.0
157.06456	27.5
160.05119	3.3
161.05934	12.5
163.07484	10.5
165.05388	12.4
165.06938	18.2
166.06175	13.8
166.07558	4.0
167.06993	100.0
167.08414	10.4
167.10614	2.6
168.05481	2.5
169.06364	4.0
171.07997	3.7
173.05823	2.7
175.07491	75.3
177.05533	2.3
177.06932	9.7
179.06979	9.8
179.08456	4.6
180.07773	11.5
180.69398	2.1
181.04984	2.8
181.06442	13.2
181.08534	57.9
182.07309	3.6
183.07935	3.0
185.09622	2.3
190.07755	4.2
191.08464	12.4
193.06474	5.0
193.08522	4.3
194.07152	5.4
195.07961	19.7
197.05983	4.8
197.09564	8.5
198.06651	3.8
199.07462	3.1
205.06424	4.2
207.08072	4.3
208.08786	5.1
209.05931	8.6
209.09398	2.3
210.01895	2.3
210.06657	4.4
211.07480	13.9
213.05399	8.1
213.09018	4.7
218.07315	2.6
219.07957	11.6
219.09984	2.5
221.05931	5.2
221.09528	2.3
223.07451	18.5
225.05284	2.9
225.08980	4.7
226.06186	10.8
227.06924	3.0
228.07693	2.9
236.08264	2.2
237.05312	2.1
237.09036	4.0
239.06897	9.6
240.07657	4.5
241.08469	10.4
243.06625	2.1
243.10088	3.3
248.08470	2.3
251.06990	5.2
251.10413	4.5
253.08443	8.7
255.06161	2.5
255.10135	3.7
267.07434	3.2
268.07193	2.4
269.07947	9.2
269.11584	2.4
271.05801	2.5
271.09543	13.7
276.08307	2.8
281.08127	2.7
283.09637	4.7
283.13016	4.2
285.11008	2.4
288.09857	3.4
297.11188	3.8
300.09409	5.1
301.10535	24.6
303.12186	4.6
315.11557	2.8
328.70459	2.6
329.13696	13.2
347.14633	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	346.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.8
55.01848	9.7
55.05493	45.6
56.96546	2.0
57.03422	2.2
57.07061	2.1
59.84746	2.1
62.27234	1.9
67.05481	99.0
68.53844	1.9
69.07046	50.0
70.07361	3.1
71.04944	5.4
73.46310	2.0
79.05461	56.9
81.03388	2.8
81.07025	100.0
83.04941	4.8
83.08591	33.4
84.18085	2.0
85.06490	4.9
89.06038	2.5
91.05444	35.6
93.07006	63.1
95.04922	5.3
95.08575	52.9
96.08930	4.9
97.06480	11.7
97.10113	24.7
98.97560	4.6
99.08074	2.8
105.06992	24.3
107.08563	61.2
108.08939	3.6
109.06500	4.9
109.10118	50.8
111.08043	10.1
117.06974	11.0
119.08507	27.4
121.06500	3.4
121.10088	21.4
121.42782	2.3
123.11654	10.1
123.80784	2.1
125.09570	14.9
131.08487	15.8
133.10074	24.3
135.08017	2.5
135.11617	12.1
137.09543	4.5
145.10068	12.2
147.11620	12.0
149.09575	12.8
149.13242	19.4
155.10631	8.6
159.11636	12.5
161.13181	2.7
163.11122	5.4
173.11681	40.4
177.12709	3.5
182.71544	2.2
189.11166	12.6
195.13741	32.0
213.14781	22.2
239.17899	3.2
257.18774	8.5
275.19968	56.8
288.36053	2.4
292.27115	2.9
293.20953	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	346.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67830	0.3
55.05484	1.8
56.96543	4.7
57.06791	0.6
57.07057	13.3
57.99974	0.3
58.06569	2.3
65.43082	0.3
69.07042	0.6
70.06564	27.1
71.08604	4.8
72.08106	0.8
74.06052	0.4
74.32751	0.3
74.66942	0.3
84.08115	0.7
85.10144	1.8
88.07597	31.3
89.58548	0.4
92.45095	0.4
95.08555	1.7
97.99158	0.8
102.09142	19.9
103.87360	0.4
105.07006	0.4
106.05758	0.4
107.08571	0.6
113.74431	0.5
119.08530	0.7
127.47192	0.4
132.10144	0.6
133.10031	0.7
140.93123	0.4
146.11693	0.8
147.05167	0.4
150.11237	0.9
159.03305	0.5
202.72820	0.4
218.14996	0.7
224.14977	2.4
233.15547	4.0
233.65637	0.4
240.26859	0.8
284.29373	61.7
314.18826	0.6
328.32071	3.6
346.33026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67830	0.3
55.05484	1.8
56.96543	4.7
57.06791	0.6
57.07057	13.3
57.99974	0.3
58.06569	2.3
65.43082	0.3
69.07042	0.6
70.06564	27.1
71.08604	4.8
72.08106	0.8
74.06052	0.4
74.32751	0.3
74.66942	0.3
84.08115	0.7
85.10144	1.8
88.07597	31.3
89.58548	0.4
92.45095	0.4
95.08555	1.7
97.99158	0.8
102.09142	19.9
103.87360	0.4
105.07006	0.4
106.05758	0.4
107.08571	0.6
113.74431	0.5
119.08530	0.7
127.47192	0.4
132.10144	0.6
133.10031	0.7
140.93123	0.4
146.11693	0.8
147.05167	0.4
150.11237	0.9
159.03305	0.5
202.72820	0.4
218.14996	0.7
224.14977	2.4
233.15547	4.0
233.65637	0.4
240.26859	0.8
284.29373	61.7
314.18826	0.6
328.32071	3.6
346.33026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01844	6.4
57.03412	6.7
57.50780	1.1
61.02905	15.1
69.03400	23.2
69.07050	1.2
70.06573	3.0
70.58230	1.2
71.04965	2.3
72.29192	1.2
73.02885	5.3
81.03394	10.8
83.01294	1.3
85.02877	100.0
86.09662	1.9
87.04434	1.9
89.75341	1.3
91.03946	2.2
92.08701	2.1
97.02856	29.1
99.04409	3.1
107.04919	72.0
109.02838	10.0
121.06457	2.5
127.03886	14.2
145.04924	20.2
145.06042	1.5
145.06552	1.6
147.04330	2.3
149.05894	19.2
150.31697	1.2
163.03862	1.9
163.05894	1.4
167.06999	6.9
167.08467	2.7
171.08102	1.4
173.05925	2.4
177.06979	1.7
180.08609	10.0
195.08018	2.0
200.17799	1.5
215.06958	2.6
219.08078	2.2
223.07416	1.8
227.06982	1.7
233.08032	5.6
241.08566	1.8
271.34271	1.5
283.09543	2.6
300.12140	1.9
312.23529	1.5
323.07562	1.5
329.10101	1.7
346.14896	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	346.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48322	0.5
53.03922	3.1
55.01847	3.5
57.03424	6.9
61.02909	11.9
69.03404	23.7
70.90979	0.6
71.04956	3.9
73.02891	6.2
75.28033	0.7
79.05446	3.0
81.03389	10.3
83.01310	1.1
85.02876	100.0
87.04425	3.7
91.03904	4.0
97.02853	28.5
99.04423	5.2
101.02359	0.9
103.05433	16.5
104.54809	0.7
107.04903	3.1
108.52219	0.7
109.02861	8.1
114.35455	0.7
115.03943	0.8
121.06458	64.2
127.03869	18.5
131.04883	3.0
139.07492	1.2
145.03854	1.3
145.04916	22.8
149.05966	1.1
163.05939	5.8
167.06976	8.7
264.65900	0.8
290.54779	0.7
293.86218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.0
55.05498	18.2
56.96532	6.5
57.07054	11.8
59.04973	2.6
67.05157	1.6
67.05485	28.9
69.03402	1.5
69.06678	2.3
69.07043	52.3
71.04962	14.7
71.08595	2.7
79.05457	11.0
81.06548	2.1
81.07027	65.2
83.04971	1.4
83.08589	27.0
85.06516	4.7
85.10142	1.6
89.05991	2.2
91.05449	10.6
93.07008	42.6
93.07581	1.9
95.08569	100.0
97.06482	2.7
97.10117	7.7
100.02398	1.4
105.07008	13.0
107.08571	28.2
109.10122	35.2
110.76543	1.1
111.08046	25.7
111.11674	5.9
117.28993	1.2
119.08540	7.7
121.10110	20.0
123.11674	26.1
131.08496	1.7
133.10081	6.4
135.11658	12.2
137.13188	9.6
145.10094	1.4
147.11635	9.9
149.13197	19.9
161.13229	2.6
163.14742	6.4
165.16348	5.6
175.14796	2.0
177.16246	2.2
178.36073	1.2
179.32196	1.1
191.17818	1.5
203.17946	1.4
209.18944	1.8
217.19400	2.1
226.21637	1.9
232.67184	1.4
245.93413	1.2
261.25781	1.7
270.43848	1.3
273.25751	8.8
279.26685	7.2
281.99207	1.2
291.26706	29.1
309.27823	17.2
345.23926	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	345.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.5
53.03925	1.0
53.35259	0.4
53.63463	0.5
55.01857	3.9
55.05494	23.3
57.03422	1.1
57.07056	10.0
59.04985	5.5
62.65345	0.5
67.05480	31.5
69.03397	1.2
69.07044	61.4
71.04965	16.8
71.08601	4.5
73.06499	0.9
78.23784	0.5
78.82406	0.6
79.05458	11.2
81.07028	68.4
83.04969	2.1
83.08590	31.0
85.06502	5.3
85.10110	0.6
89.05991	6.4
91.05447	6.3
92.09311	0.6
93.07009	38.7
95.04926	2.3
95.08572	100.0
97.06480	6.3
97.10134	9.4
98.97543	0.8
99.08039	1.4
99.61354	0.6
105.07000	11.5
107.08559	32.6
109.06471	2.3
109.10120	36.3
110.77081	0.5
111.08047	28.1
111.11685	6.9
111.41660	0.6
113.09634	0.6
119.08537	8.2
121.10106	21.3
123.07998	0.7
123.10800	1.0
123.11663	23.6
125.09583	3.7
125.13199	1.2
133.10095	5.4
135.11649	11.6
137.05942	0.8
137.13223	10.4
139.11086	2.8
147.11641	6.3
149.13214	19.0
151.11201	1.3
151.14760	3.3
153.12703	1.2
161.13235	5.0
163.14746	6.9
165.12636	1.0
165.16286	3.5
167.14255	3.2
175.14763	1.0
177.16335	3.3
189.16330	1.1
191.17891	3.0
203.17921	2.5
205.19444	0.9
209.18900	1.2
217.19460	2.6
221.22530	0.8
244.20314	0.5
261.25662	5.2
273.25735	8.2
279.26697	9.4
291.26746	26.4
301.06973	3.5
309.27747	17.4
329.06519	7.0
330.07193	0.8
345.09607	10.9
345.26273	0.7
346.10095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
53.03907	1.4
55.05497	28.0
57.03396	1.3
57.07061	19.3
67.05479	51.5
69.07039	45.7
71.04945	1.9
71.08606	10.4
71.08927	0.9
79.05454	29.5
81.07024	92.0
83.08590	29.5
85.10127	4.6
91.05451	21.5
93.07006	61.6
95.04917	4.6
95.08570	100.0
97.06490	2.7
97.10136	12.6
105.07005	37.2
107.08561	47.1
109.06496	1.9
109.10114	47.8
111.11671	8.5
117.06976	1.8
119.08546	24.2
121.10110	28.4
123.08018	1.6
123.11644	17.1
133.10097	25.7
134.77351	1.1
135.11641	16.8
137.09570	5.8
137.13202	6.5
139.11163	1.4
147.11653	18.8
149.13202	12.6
151.14757	1.8
161.13208	9.7
163.14767	4.4
165.12668	4.7
165.16281	1.5
175.14766	2.6
177.16286	2.5
179.17906	1.2
189.16292	4.7
203.17941	2.8
217.19427	5.8
273.25720	13.2
291.26682	8.8
301.07013	1.5
329.06430	2.6
345.09448	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	345.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
54.56211	0.2
55.01846	0.3
55.05479	0.2
62.75457	0.2
67.05482	1.0
67.31416	0.2
71.87476	0.3
79.05466	2.1
81.07038	0.4
84.22370	0.3
87.42579	0.2
91.05458	4.0
93.07014	1.7
94.04163	0.5
95.04953	0.6
95.08585	0.5
99.20787	0.2
103.05431	11.6
105.07000	0.4
107.04926	1.1
107.08560	1.0
108.05688	0.4
109.06518	0.6
115.05427	2.4
116.06187	0.5
117.06978	6.2
119.04920	1.8
119.08579	0.5
121.06472	3.9
122.03599	4.4
123.08038	3.1
125.05968	0.2
128.06194	1.2
131.04880	22.7
131.08600	0.3
134.07224	0.6
135.08005	1.3
136.05186	0.5
137.05931	53.2
143.08525	1.4
145.06413	1.5
147.04369	0.3
149.05949	1.2
149.09514	1.8
151.07498	15.2
151.87518	0.3
160.05266	0.4
161.05905	0.5
162.06697	4.1
163.07484	24.3
165.06793	0.3
171.07953	0.4
175.07480	4.5
177.09039	100.0
195.10089	6.2
203.10585	0.6
221.11618	4.8
240.16360	0.3
259.26807	0.3
299.12595	1.7
345.89697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1325
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01838	3.6
55.05479	5.3
65.03906	10.9
66.23901	2.5
67.05469	4.8
69.03387	4.3
69.07039	13.0
70.88435	2.5
79.05473	3.4
81.07014	21.4
85.02858	2.8
91.05432	3.4
93.03302	3.1
93.06982	4.7
95.04923	2.5
95.08567	13.3
96.02055	15.1
97.06459	3.2
107.08549	3.3
109.10120	10.4
111.04414	41.6
117.06958	3.7
119.08508	5.3
121.06480	2.3
121.10052	3.2
123.04323	3.5
129.06927	6.0
131.04898	9.8
131.91342	2.7
135.11690	2.9
137.05936	15.5
139.03857	14.8
141.06917	5.3
144.05721	4.6
145.06474	10.5
153.05399	2.8
153.06953	12.1
155.08479	3.0
157.06410	4.8
159.08000	13.7
160.08781	16.4
161.05969	10.5
161.09593	4.9
165.06927	5.1
167.03368	5.5
167.08455	2.7
168.05644	5.8
169.06421	4.7
170.07175	3.0
177.09048	11.0
178.07698	4.9
179.08485	12.4
181.06409	16.3
182.07138	3.1
183.07953	5.8
185.05902	12.6
185.09569	3.3
187.07382	11.2
188.08243	6.0
195.07983	21.0
196.05258	3.6
196.08769	3.4
197.05814	5.5
197.09554	4.1
198.06635	32.5
199.07570	4.7
206.07286	3.3
207.08009	10.9
208.08670	4.3
209.05901	8.7
210.06752	10.5
211.07407	23.2
211.11034	6.0
213.05475	17.4
213.09064	4.1
221.06058	2.6
221.09505	4.9
223.07489	13.2
224.04692	3.5
224.08272	18.8
225.05476	4.7
225.09041	3.8
226.06163	10.4
227.06866	9.4
228.07715	4.5
235.07530	8.7
236.08315	3.4
237.05385	3.1
238.09697	12.5
239.06996	44.1
239.10570	20.6
240.07692	21.3
241.04807	14.3
241.08498	16.4
243.06441	27.7
249.08994	4.7
251.07018	4.9
252.07779	4.6
253.08540	20.5
253.12042	2.9
255.06468	9.4
255.10307	3.3
256.07196	37.8
258.08759	3.0
267.06433	9.3
267.10046	31.3
268.07251	41.2
269.07950	48.0
271.09537	16.0
271.13052	3.7
281.07999	3.8
281.11249	2.6
284.07126	6.8
284.10306	16.7
286.08234	5.6
295.09485	5.3
296.10327	11.5
299.09082	100.0
299.12543	15.6
313.10477	11.4
315.04907	5.0
327.12125	66.2
345.09451	5.3
345.13184	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	345.1325
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01847	2.7
55.05494	1.2
61.51323	1.4
65.03909	8.1
67.05470	1.3
69.07021	2.0
77.83302	1.1
79.05449	1.5
81.07030	6.8
85.02879	1.3
87.98687	1.4
91.05437	2.2
91.73247	1.3
92.09397	2.6
93.03377	2.5
93.06985	1.4
95.04958	1.7
95.08570	2.3
96.02074	8.0
103.42263	1.2
105.06995	1.5
107.01290	1.6
109.10166	2.0
111.04414	44.9
115.05401	2.9
125.05984	1.4
128.06148	1.9
129.06960	5.8
137.05937	2.8
139.03844	20.9
141.06944	3.3
144.05650	2.7
145.06448	7.2
152.06181	1.5
153.05556	1.4
153.06979	8.3
154.07785	1.7
155.04852	2.1
155.08569	2.7
157.06429	6.9
159.08015	8.2
160.08795	10.8
161.05934	9.3
161.09612	2.5
165.06973	8.9
167.03293	5.8
167.08537	6.6
168.05727	9.3
169.06451	8.6
171.08037	2.0
172.05165	1.8
173.05984	2.0
178.07767	6.0
179.08458	9.5
181.06412	11.1
181.10120	1.7
182.07220	6.1
183.04459	1.8
183.08046	5.8
184.05238	1.5
185.05878	10.7
185.09564	5.5
187.07492	8.3
188.08292	8.6
190.07646	1.5
195.08093	11.7
196.05141	5.6
196.08783	5.5
197.05923	9.5
197.09587	2.9
198.05017	1.6
198.06720	31.2
199.07526	6.9
200.08275	3.2
206.07208	5.5
207.07993	13.9
209.05928	5.6
210.06757	6.3
210.10384	2.6
211.07509	21.2
211.11127	8.4
212.08220	2.3
213.05444	14.7
213.09035	6.7
221.06023	2.3
221.09534	6.9
223.07542	11.7
224.04630	5.2
224.08218	9.7
225.05452	7.6
225.09004	3.0
226.06145	12.7
227.06929	8.5
227.10628	2.1
228.07762	10.4
228.13333	1.5
235.07425	5.6
236.08296	2.9
237.05411	5.1
237.09140	2.2
238.06180	6.1
238.09790	13.2
239.06937	40.4
239.10568	20.4
240.07686	17.9
241.04875	11.4
241.08487	19.7
243.06438	24.2
243.10016	1.5
249.09120	2.6
250.09734	1.8
251.06900	2.9
252.04143	1.9
252.07712	8.7
253.04819	2.7
253.08537	17.9
253.12177	6.4
255.06415	6.5
256.07208	33.8
256.10886	2.8
257.07968	2.5
258.08783	2.3
266.09250	2.0
267.06555	5.3
267.10019	34.6
268.07184	37.7
268.10236	2.5
269.07962	41.1
271.09561	8.3
271.13190	7.3
281.07996	8.3
281.11667	6.6
284.06592	7.7
284.10336	13.1
285.11057	1.9
286.08234	8.0
295.09549	8.9
296.10367	16.5
299.09109	100.0
299.12668	18.0
312.09845	2.2
313.10535	13.7
327.12183	60.5
345.13190	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	344.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72306	4.3
55.05502	42.0
57.07053	8.7
61.69930	5.7
63.69233	4.2
67.05476	98.3
69.07059	37.6
70.06551	12.7
70.09212	4.6
71.04950	24.7
71.08595	7.8
73.25536	5.6
73.61858	4.1
75.64413	5.2
79.05445	57.0
80.81200	4.7
81.03357	7.8
81.07025	100.0
82.89428	5.2
83.04954	8.4
83.08582	24.4
85.06487	5.9
85.72436	5.4
88.07588	31.8
91.05444	39.4
93.07005	76.1
95.08572	50.3
97.06503	7.2
97.10137	8.0
99.08065	7.3
105.06976	32.4
106.08636	5.6
107.08569	35.0
109.10104	47.0
119.08518	24.6
121.10084	31.4
126.51017	5.8
131.08569	7.1
133.10097	7.6
135.11607	10.5
139.11124	6.7
147.11577	6.7
149.13174	21.2
159.11623	8.2
161.13115	6.0
171.41579	5.7
173.11664	22.6
182.72755	5.5
195.13759	11.6
256.87659	5.8
277.21506	12.1
344.31369	20.4
344.35236	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	344.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.2
55.01845	11.6
55.05497	56.9
56.05013	3.7
57.03404	14.1
57.07049	16.0
67.05162	4.0
67.05484	77.7
69.03396	5.4
69.07048	42.7
71.04956	4.7
71.08600	31.5
79.05458	59.4
81.03379	6.2
81.06548	4.2
81.07024	100.0
83.04957	30.7
83.08585	23.2
85.06496	10.3
88.07581	14.0
91.05436	43.9
93.07011	94.1
95.04926	20.7
95.08569	58.5
97.06505	17.9
97.10123	5.6
99.08056	18.5
101.84632	3.1
105.07008	31.1
107.08572	33.3
109.06451	5.9
109.10127	22.1
111.08039	6.8
111.11667	3.0
113.86008	2.4
117.06989	4.1
119.08582	20.1
121.06466	3.0
121.10104	25.6
125.09599	3.2
129.06931	2.9
130.71159	2.5
131.08548	19.2
133.10085	25.1
135.11626	21.4
137.09706	2.6
139.11121	25.3
143.08560	2.8
145.10023	6.0
147.11674	12.4
149.13223	17.9
151.11089	11.2
159.11665	10.1
161.13182	10.6
163.11078	4.9
163.14717	4.4
165.12657	4.6
175.14822	4.3
177.12650	5.3
185.13252	4.4
191.63014	3.2
191.71227	3.0
193.12228	3.5
195.13840	9.1
207.13773	3.1
241.19489	3.3
259.20547	13.5
277.21439	44.4
291.23181	11.9
309.24103	10.4
344.31445	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	344.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31556	0.4
53.03932	0.4
55.01826	0.3
57.03421	0.8
61.00737	0.3
61.02900	1.9
62.60978	0.3
69.03408	3.4
71.54525	0.3
81.03381	1.5
84.53710	0.3
84.78907	0.3
85.02873	15.9
91.03907	0.4
91.05459	4.9
95.79026	0.4
97.02859	4.1
99.04395	0.4
109.02832	1.9
119.04904	22.9
123.04407	2.8
127.03877	1.9
145.04922	1.7
147.04369	100.0
165.05418	28.1
202.65759	0.4
235.50244	0.4
251.00844	0.4
344.13339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25732	0.3
53.03916	0.5
57.03421	0.6
58.38162	0.3
61.02898	3.0
69.03403	5.1
70.06577	0.7
71.04972	0.5
73.02880	0.5
81.03385	2.7
81.07025	0.7
83.04967	0.6
85.02873	18.2
86.03217	0.5
91.05425	0.7
92.08636	0.8
95.04922	0.8
96.05239	0.5
97.02863	6.3
102.15155	0.4
107.04921	100.0
109.02844	1.6
110.25468	0.4
119.04942	0.5
121.10032	0.5
127.03867	3.2
129.06979	3.7
137.05904	0.9
145.04916	2.7
146.10442	0.4
147.04367	2.6
163.11121	1.8
164.11469	2.0
165.05406	0.6
165.09053	12.0
165.10341	0.7
175.07654	0.5
180.08614	1.0
182.11713	0.8
194.21094	0.4
197.00591	0.4
210.02701	0.4
259.44159	0.4
318.67514	0.5
344.13757	1.9
344.17307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.4
55.01846	5.8
55.10192	0.7
57.03427	8.9
61.02654	0.8
61.02908	16.4
63.43457	0.9
69.03033	1.1
69.03403	28.2
71.04973	2.0
73.02885	6.7
79.05455	4.9
81.03388	12.8
81.07021	0.9
85.02876	100.0
87.04429	3.4
91.03939	7.4
91.05450	1.5
95.04913	0.9
97.02853	25.2
99.04395	3.7
103.05403	1.7
105.07000	35.1
107.04911	1.2
109.02853	15.1
109.06438	1.6
115.05373	1.0
123.04359	3.6
124.05173	55.7
127.03864	15.7
127.08130	0.9
131.04897	0.9
133.06447	27.1
135.04369	4.0
137.04878	1.7
137.05933	45.8
145.04909	18.9
147.04335	1.3
150.06665	1.7
155.71222	0.9
163.03793	1.8
164.04248	1.6
165.09056	85.5
180.08659	2.0
191.03342	8.0
192.03690	12.8
213.37195	0.8
220.08566	0.9
344.08417	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	344.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.37437	0.3
57.03408	0.8
59.11160	0.3
60.93481	0.3
61.02900	1.8
65.03918	0.3
66.43260	0.3
69.03410	2.9
71.04966	0.4
72.35581	0.3
81.03379	1.6
82.35502	0.3
82.52525	0.3
85.02876	17.7
91.05434	4.5
92.09308	0.6
97.02856	4.2
99.04448	0.4
109.02835	1.9
119.04900	21.8
123.04365	2.3
127.03842	2.5
145.04938	2.1
147.04362	100.0
165.05414	27.2
171.41342	0.3
177.10497	0.4
180.08615	0.7
182.08401	0.3
211.78363	0.4
232.93338	0.3
253.38235	0.4
309.09421	0.4
344.13361	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	344.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44069	0.2
57.80419	0.2
61.02890	1.0
61.75016	0.2
62.06313	0.2
65.03912	0.3
69.03392	1.3
69.53674	0.2
81.03389	0.5
83.12340	0.2
85.02884	5.0
89.05981	1.1
91.05446	6.9
97.02845	1.2
105.30838	0.2
119.04902	26.4
123.04402	0.9
127.03878	0.5
133.08531	0.3
145.04970	0.3
147.04369	100.0
148.04700	0.5
165.05415	22.0
240.40880	0.3
268.19644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01858	2.3
55.05495	26.0
57.03429	2.9
57.07047	18.1
58.06558	1.1
59.04971	2.2
60.03727	1.3
67.05483	23.0
69.03409	4.7
69.07043	55.3
71.04970	3.0
71.08603	6.6
79.05463	11.9
81.07025	47.0
83.04945	2.1
83.08599	22.3
85.06509	2.1
85.10153	2.6
86.09676	2.0
87.04446	1.7
89.41589	1.1
91.05445	16.2
93.07007	100.0
95.04926	22.5
95.08567	57.2
97.06467	10.2
97.10136	7.0
105.07017	12.5
107.08559	24.4
109.06513	4.9
109.10117	28.3
111.08064	11.8
111.11691	1.4
117.07010	1.6
119.08546	9.7
121.10104	28.7
123.07952	1.2
123.11694	10.8
125.09590	2.5
131.08578	2.8
133.06422	1.8
133.10103	6.0
135.11661	10.1
137.13210	2.1
139.11156	1.9
144.09384	1.9
145.10098	3.0
146.92244	1.3
147.11664	5.1
149.09627	1.7
149.13203	11.2
151.14815	1.4
159.11639	8.2
163.11198	1.6
163.14787	1.5
167.14322	2.0
183.17432	2.0
195.17422	1.6
209.18918	1.7
240.23108	62.2
271.24097	5.5
289.25186	2.7
295.26138	5.7
307.26233	15.1
325.27234	5.8
352.40048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	16.0
57.07053	12.4
64.14013	1.2
67.05483	27.9
69.07050	25.1
71.04955	8.2
71.08607	2.0
79.05470	14.1
81.07027	72.5
83.08592	13.2
85.06509	15.1
91.05440	13.6
92.09311	1.9
92.63573	1.6
93.07005	42.5
95.04913	1.9
95.08572	100.0
95.37786	1.4
97.10146	5.4
105.06991	37.1
107.08555	45.1
109.10125	53.5
109.10867	2.4
111.11655	1.5
113.09641	1.3
117.06966	2.3
119.08537	29.5
121.10098	43.7
123.08038	2.2
123.11663	29.5
131.08536	10.6
133.10092	40.0
135.11655	41.3
137.09549	2.4
137.13205	31.8
138.71625	1.5
145.10072	25.4
147.11656	28.1
149.13210	19.9
151.11208	1.6
151.14784	2.2
157.10054	3.6
159.11609	16.4
161.13206	19.6
163.14775	13.4
173.13239	14.4
175.14723	8.2
177.12621	1.5
177.16403	2.4
179.14156	1.7
187.14784	15.0
189.16307	17.1
191.14211	11.5
191.17886	9.0
201.16348	9.5
203.17900	9.1
205.15817	2.1
205.19408	2.3
207.17380	8.7
213.16313	2.2
215.17844	8.1
217.19426	1.7
219.17519	2.0
229.19446	3.5
241.19319	3.2
243.21057	2.0
255.21004	3.4
256.84259	1.8
269.22638	2.8
299.27185	2.4
325.28818	53.3
334.67642	1.6
343.29816	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	343.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37411	0.7
52.41112	1.0
53.03930	2.1
55.01853	1.6
55.05499	18.0
57.03428	3.6
57.07050	8.4
65.05293	0.9
67.05479	20.7
69.03399	4.5
69.07044	56.4
71.04963	5.5
71.08602	2.1
78.07079	1.0
79.05453	14.4
81.07027	42.2
83.04944	4.2
83.08594	21.5
85.06533	1.0
87.04458	1.6
91.05452	17.1
93.07008	100.0
95.04936	18.4
95.08571	44.8
95.09039	0.8
97.06467	6.9
97.10137	6.3
98.97538	1.7
105.04499	1.4
105.06995	15.3
107.08564	23.8
109.06503	4.4
109.10119	19.7
111.08051	14.2
111.11660	1.8
116.98564	1.3
117.06944	1.9
119.08537	10.5
121.10098	27.4
121.10892	1.6
123.08030	4.4
123.11668	11.9
125.09576	1.7
131.08517	2.4
133.10095	5.3
135.11652	6.2
137.13203	1.1
139.11168	3.3
145.10078	6.3
147.11681	4.1
149.09605	1.3
149.13229	10.8
159.11693	5.0
161.13210	1.7
163.03929	1.0
163.11174	2.0
167.10548	1.0
167.14343	1.9
175.14769	1.7
177.16364	1.4
184.63885	1.0
191.03444	1.1
195.17368	1.4
201.16325	1.1
209.18924	1.2
245.22569	1.2
271.24179	6.2
289.25162	5.8
295.26221	1.4
307.26157	17.9
325.27200	4.1
334.34732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01854	1.8
55.05494	20.8
57.07056	10.7
67.05484	22.0
69.03400	4.7
69.06673	2.5
69.07043	59.3
71.04949	6.7
71.08605	2.9
79.05453	16.2
81.07027	100.0
81.81689	1.2
83.04977	1.7
83.08599	9.1
85.06496	10.1
91.01245	1.2
91.05436	9.8
92.08713	2.8
93.07011	41.3
95.04932	2.6
95.08570	48.9
97.06493	11.8
97.10136	2.1
99.08063	3.1
105.06996	13.1
107.08557	38.7
109.06480	5.5
109.10121	41.4
109.10857	1.5
111.08038	30.9
111.11702	6.5
117.06991	2.1
119.08531	10.6
121.10113	16.8
123.08011	2.4
123.11651	25.3
125.09586	5.4
131.08583	1.7
133.10095	8.6
135.11644	19.7
137.09613	2.1
137.13220	12.9
145.10014	2.4
147.11629	6.8
149.13200	8.7
151.11122	5.8
153.12694	24.1
155.14287	1.8
155.19327	1.2
159.11646	6.9
161.13216	2.2
163.11238	2.0
163.14728	2.2
165.12662	2.4
173.13152	1.4
175.14839	2.0
177.12709	1.6
181.12195	7.6
189.16336	4.9
245.22696	1.5
271.24142	2.9
277.25189	2.3
289.25253	12.2
307.26202	16.0
325.27319	1.8
349.02295	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.5
53.03933	1.6
55.01854	7.4
55.05492	18.6
57.03432	1.7
57.07053	18.0
63.89330	1.2
65.03909	1.6
65.81285	1.3
67.05481	22.8
69.07047	43.7
70.20452	1.2
71.04959	7.4
71.08600	2.9
72.47475	1.5
78.87025	1.4
79.05124	1.3
79.05467	18.9
81.07024	100.0
83.08587	21.1
84.83176	1.5
85.02886	2.4
85.06512	21.0
91.05442	9.1
92.09326	1.7
93.06998	41.4
93.07915	2.1
95.04926	2.5
95.08574	64.0
96.29067	1.4
97.06496	8.7
97.10123	7.8
99.08049	3.6
105.07000	11.4
107.08563	29.8
109.06461	2.9
109.10123	29.2
111.07322	2.5
111.08044	44.4
111.11681	2.3
119.08536	9.0
121.10106	21.0
123.07987	3.6
123.11666	16.1
127.17004	1.5
131.08490	2.5
133.10120	11.0
135.11656	8.5
137.13206	7.4
139.11075	1.8
142.41585	1.8
145.10077	3.0
147.11615	9.1
149.13177	12.1
151.11133	2.5
159.11618	3.0
163.11063	2.8
163.14790	3.4
165.12849	1.8
175.14722	2.4
189.16249	1.7
191.03287	1.7
191.17876	2.0
209.18895	3.8
215.17915	1.9
219.21013	1.9
271.24084	3.7
277.25165	2.3
289.25119	18.0
307.26282	17.8
312.66891	1.8
325.27167	2.8
335.09149	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41807	1.2
52.63981	1.5
53.03916	1.8
54.81195	1.5
55.01857	3.3
55.05279	1.4
55.05501	20.8
57.03412	2.3
57.07060	9.4
60.16632	1.4
64.41325	1.6
66.33244	1.5
67.05480	22.0
69.03380	2.2
69.07041	55.3
71.04966	7.1
71.08609	2.7
79.05475	16.2
81.07030	54.2
83.04926	1.7
83.08592	19.7
85.06516	2.3
87.04457	1.6
91.05438	20.8
93.07011	100.0
95.04932	21.8
95.08572	52.6
97.06483	8.1
97.10112	7.6
105.06995	18.0
107.08556	30.9
109.06505	2.8
109.10130	26.1
111.08034	33.5
119.08575	11.3
121.10101	28.6
123.07998	2.1
123.11656	14.1
123.72037	1.5
125.09556	2.5
131.08566	3.7
133.10083	8.5
135.11665	7.6
145.09998	5.4
147.11711	3.0
149.13229	15.4
159.11649	6.2
161.42377	1.6
162.15508	1.8
163.11130	2.2
164.78981	1.8
167.14336	2.2
170.62384	1.7
187.14862	2.3
191.03340	3.5
194.58083	1.7
271.24182	6.3
277.25610	1.8
289.25180	3.2
295.26361	3.2
307.26251	16.6
325.27246	3.2
365.98709	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.8
55.01851	2.2
55.05497	25.0
55.28268	1.4
57.03412	1.6
57.07052	8.5
59.04967	1.7
59.62104	1.5
66.46702	1.4
67.05485	20.7
69.03387	2.8
69.07040	54.5
71.04946	1.9
71.08600	1.5
73.27320	1.6
75.03497	1.4
79.05467	11.7
81.07026	39.9
83.04931	1.6
83.08578	18.6
85.06540	2.4
87.04421	2.7
91.05441	15.5
92.09343	4.9
93.06423	3.5
93.07008	100.0
95.04931	22.7
95.08562	38.1
97.06474	6.6
97.10119	7.1
103.20977	1.5
105.07024	14.7
106.53641	1.5
107.08559	26.1
108.10725	1.8
109.06494	5.8
109.10139	21.7
111.08015	10.4
119.08549	7.2
121.10089	22.5
121.80605	1.5
123.11652	10.1
125.09610	2.9
128.97438	1.5
131.08507	3.0
133.10043	3.3
135.11630	2.1
145.09932	2.8
147.11594	2.8
147.78723	1.6
149.13211	8.5
159.11710	3.6
167.10561	2.4
167.32967	1.7
209.18822	1.9
215.75215	1.6
233.40216	1.5
289.25299	2.2
295.26346	3.1
295.89987	1.7
307.26202	16.8
325.27219	5.9
332.63873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.5
53.03923	1.5
53.87231	1.2
55.01854	3.2
55.05498	17.8
56.96545	1.4
57.07045	8.2
59.04958	1.5
59.54129	1.1
60.10671	1.3
60.36132	1.3
63.14530	1.1
67.05483	24.4
69.03387	2.9
69.06683	2.0
69.07044	54.2
71.04946	7.3
71.08603	1.4
73.02869	1.9
73.06516	1.1
77.38113	1.2
79.05453	15.8
79.86745	1.1
81.07026	100.0
82.07343	1.4
83.04900	1.4
83.08595	11.9
85.02859	1.5
85.06511	9.7
91.05457	7.3
93.07009	41.6
95.04933	4.9
95.08568	50.3
97.06499	9.4
97.10152	1.6
99.08039	6.3
105.06981	12.4
107.08555	31.4
109.06485	6.6
109.10127	34.0
111.08046	31.0
111.11685	5.2
113.09637	1.4
119.08553	11.1
121.10104	16.5
123.10863	1.9
123.11638	16.9
125.09599	1.6
133.10066	7.1
135.11621	16.5
137.09517	1.6
137.13197	10.7
137.19618	1.2
139.11159	2.2
145.10049	5.7
147.11659	7.3
149.13191	7.1
151.11131	5.6
153.12691	17.4
154.40233	1.3
159.11639	7.0
161.13210	5.7
163.11081	1.7
163.14722	2.9
165.12724	2.6
177.12656	1.5
181.12183	7.9
189.16304	2.2
191.17744	1.6
203.17958	2.3
207.17555	1.4
225.45215	1.4
227.06129	1.5
257.06906	4.9
267.09167	2.0
271.24142	2.4
277.25031	1.9
289.25131	14.6
307.26218	17.9
325.27399	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72360	3.8
52.04798	4.2
55.05492	23.9
56.96554	34.9
56.96778	4.8
57.03418	7.2
57.07038	5.9
64.28262	4.1
67.05468	26.1
69.03397	5.8
69.07032	9.0
71.04942	8.8
79.05448	28.2
81.07028	39.5
82.24168	3.9
83.04929	5.9
86.78059	3.7
91.05440	36.7
92.05738	4.5
93.07010	70.6
95.04918	50.6
95.08577	100.0
97.06502	18.6
105.06982	88.9
105.07609	7.6
106.91377	4.5
107.08556	54.8
108.62533	5.0
109.06475	9.9
109.10132	17.1
115.05441	5.7
117.06959	27.1
119.08537	32.4
121.06431	20.0
121.10075	21.1
123.07986	18.7
129.06975	6.3
130.07733	25.3
131.08519	9.4
133.10049	9.2
135.08003	22.3
135.11687	5.5
137.09538	5.6
137.70102	4.3
143.08495	26.0
145.10072	64.9
146.87943	4.2
147.07971	8.3
147.11684	5.3
151.07491	22.5
157.10030	17.9
159.11667	6.4
163.11118	33.7
165.09087	6.8
169.10001	9.5
171.11629	6.5
183.66351	4.5
185.13333	5.6
187.99841	6.2
195.11633	4.7
215.37514	4.6
216.78424	4.9
221.15282	8.9
239.13658	5.3
300.15637	8.3
308.66068	8.5
335.15363	5.0
343.18832	5.6
343.22556	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2258
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03916	3.7
55.01852	5.8
55.05493	24.3
57.03416	12.5
57.07048	10.2
57.50852	2.3
58.06106	2.0
59.04988	2.1
65.03939	3.5
67.05479	34.0
69.03401	12.4
69.07039	4.7
71.04959	15.8
74.72895	2.3
78.41132	2.2
79.05473	23.0
79.05842	2.5
81.07039	26.5
85.06516	4.5
89.37249	2.8
91.05434	42.2
93.07008	75.4
95.04932	52.8
95.08568	100.0
97.06480	18.5
99.74265	2.9
105.03388	2.6
105.06996	90.2
107.08564	46.9
109.06467	21.5
109.10121	3.5
117.06970	35.1
119.08544	32.2
121.06470	14.1
121.10094	10.8
123.08020	23.5
128.06136	3.7
130.07768	19.7
131.08524	10.6
133.06439	4.4
133.10083	16.2
135.07996	16.0
135.11646	16.0
142.07614	3.1
143.08524	12.4
145.10074	58.6
147.08023	16.2
147.11601	5.7
149.09514	2.9
151.07477	28.1
156.09364	3.6
157.10062	4.1
159.08037	2.6
159.11646	10.1
161.09717	2.9
163.07512	2.9
163.11125	34.5
165.09044	4.9
165.75912	2.6
170.10631	2.9
171.11748	3.6
173.09615	3.3
189.12700	11.4
197.13225	3.1
221.15346	14.6
227.14278	2.9
250.87355	2.8
325.21640	3.2
328.35321	2.4
343.18390	2.7
343.22507	82.6
343.26404	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	343.2261
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03928	2.8
54.80801	2.0
55.01857	4.1
55.05500	20.5
56.96548	3.1
57.03411	5.0
57.07059	9.6
59.04971	4.9
59.35069	2.2
63.34372	2.0
67.05483	31.3
69.03396	9.2
69.07042	11.4
71.04973	15.5
79.05467	26.4
81.03406	2.5
81.07025	31.8
83.04949	3.3
83.08628	2.4
84.19547	1.9
85.06515	2.9
91.05451	38.0
93.07010	71.8
95.04930	48.7
95.08572	100.0
97.06497	14.7
105.07004	86.2
107.04935	3.8
107.08568	51.4
109.06478	12.5
109.10139	3.1
115.05396	3.3
117.06977	29.0
119.08530	36.4
121.06481	17.6
121.10122	15.2
123.08034	30.4
128.06201	2.7
129.06950	3.8
130.07761	13.5
130.35905	2.1
131.08554	3.9
133.06448	4.0
133.10088	11.8
135.08015	21.8
135.11653	12.2
142.07787	4.2
143.08517	13.2
145.10083	70.9
147.05475	2.1
147.07983	12.9
147.11653	2.4
149.09576	7.8
151.07516	38.5
157.10085	8.8
159.11562	3.2
161.09590	4.0
161.13255	3.0
163.07466	2.9
163.11121	32.1
165.09079	10.6
169.10063	3.5
171.11626	4.0
177.08994	2.6
183.11508	3.0
184.88223	1.9
187.11115	3.4
189.12715	10.1
197.13246	2.8
199.14668	2.4
203.14168	3.3
205.03166	2.0
221.15297	12.4
263.16248	2.3
269.15460	2.5
297.99637	2.0
325.21326	8.1
343.22583	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25662	0.4
53.03910	0.8
53.32264	0.4
54.36047	0.4
55.01849	0.6
56.30929	0.4
56.96538	0.6
57.03419	3.6
59.04972	1.1
61.02893	3.0
65.03923	4.3
67.05471	0.9
69.03415	7.6
70.03728	0.5
70.06564	1.0
71.04951	0.8
73.02879	0.7
74.76360	0.5
81.03384	3.2
81.07034	1.2
83.04942	1.1
85.02883	19.3
85.06508	0.9
85.29630	0.5
86.03201	0.6
87.04442	0.9
91.05444	3.5
93.03372	8.2
97.02872	7.5
98.97527	0.9
99.04442	0.8
99.08037	3.0
103.03898	1.0
107.04919	0.6
109.02830	2.6
109.06453	0.7
110.03130	0.6
110.06017	0.9
111.04411	56.2
116.98585	0.8
117.05463	0.9
117.09094	8.3
118.09383	1.1
119.04893	1.1
121.02789	0.8
123.04359	1.0
127.03877	3.2
127.07598	0.6
131.06982	0.8
134.61652	0.5
135.04398	2.0
137.01349	0.5
137.02235	3.5
137.05951	1.1
138.02615	1.1
139.03860	100.0
145.04924	2.5
147.04402	0.7
152.07004	0.6
156.37389	0.5
163.03879	3.0
163.09633	1.0
164.07021	0.7
167.01956	0.5
167.03288	1.0
168.03690	0.8
180.06282	2.8
181.04916	25.4
181.06560	2.2
184.19748	0.5
198.98479	0.6
209.72337	0.5
247.20229	0.5
343.12048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1228
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
53.03910	1.3
55.01853	15.0
55.05485	4.6
56.05809	0.7
56.96516	0.8
57.03149	0.9
57.03417	16.8
61.02888	8.8
69.03400	48.8
69.03773	1.8
71.04953	3.7
72.08120	53.5
73.02901	8.4
73.08456	11.1
79.17085	0.7
79.28526	0.8
81.03376	5.8
81.07015	1.2
83.04950	1.0
85.02870	100.0
87.04410	1.7
91.03894	1.1
97.02848	33.8
98.98420	0.9
99.04408	10.0
99.08057	3.8
101.02333	9.6
103.03886	1.6
103.56068	0.8
109.02829	8.9
115.03886	3.9
117.09084	14.5
118.08603	15.1
118.09409	3.5
119.08929	5.5
127.03863	55.0
128.04222	1.0
138.50114	0.8
139.03809	3.3
145.04910	29.6
146.05199	0.9
154.94110	3.5
156.97408	1.8
163.05922	6.5
172.95145	7.3
174.98466	2.0
180.06224	4.5
181.06624	1.3
185.02747	0.8
186.68579	0.8
190.96252	6.4
198.98448	5.2
343.11798	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	343.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01856	5.5
55.05494	5.1
57.03411	7.5
61.02904	13.6
63.51575	1.0
67.05495	1.7
69.03402	29.0
69.07043	2.2
70.06545	1.1
71.04957	3.1
73.02888	5.5
75.79672	1.2
78.29504	1.2
79.05463	9.9
81.03389	14.4
81.07021	15.2
83.01323	1.4
83.04942	12.3
85.02878	52.0
87.04440	2.3
91.03887	1.5
91.05450	11.0
93.07011	20.0
95.04932	38.4
95.08547	3.0
97.02851	20.5
97.06507	8.1
99.04423	2.4
100.16220	1.1
103.05424	1.5
105.07008	19.0
105.78226	1.3
107.04898	14.2
107.08551	23.7
109.02817	2.6
109.06502	3.0
117.06989	10.9
119.08556	8.7
121.06470	9.1
121.10091	27.7
123.04362	2.6
123.08025	2.6
125.05949	13.7
127.03876	8.9
129.06966	1.9
130.07724	6.2
133.06465	2.2
135.08009	2.1
135.11649	16.7
137.05904	1.6
143.08507	1.9
145.04907	3.2
145.06464	2.3
145.10088	32.2
147.04410	3.0
147.07990	2.5
159.04247	1.2
161.09546	1.8
163.03833	1.5
163.11111	100.0
165.09093	1.9
167.07039	1.3
181.08430	2.0
181.12189	13.5
307.15262	1.5
343.13531	75.2
343.16718	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	343.0801
Annotation	Phyllocoumarin
Peak:m/z	Relative Intensity
54.81025	0.2
55.01839	0.6
55.05480	0.6
65.03891	0.5
67.05462	1.1
68.80996	0.3
68.99734	1.1
69.07030	0.3
79.05454	3.1
81.03374	0.3
81.07014	1.2
91.05434	2.7
95.04944	2.0
100.11215	1.9
101.11534	0.3
104.47884	0.2
105.07001	0.4
107.04906	3.4
113.32606	0.3
119.04897	7.1
121.02761	0.3
121.69392	0.3
123.04375	15.9
131.04895	0.4
135.04366	9.5
136.05148	0.4
137.02296	7.1
137.05898	0.5
145.02797	1.1
147.04362	13.2
149.05930	0.3
154.21191	0.3
161.05905	0.5
163.03821	8.9
163.05167	0.3
164.04588	0.4
164.51431	0.3
164.78267	0.3
165.05399	1.5
175.03848	0.5
179.03328	6.5
188.67598	0.3
189.05429	0.3
191.03317	100.0
192.04071	5.2
203.03308	3.5
205.04849	2.5
221.04370	6.9
222.59340	0.3
233.04320	0.5
325.06992	0.4
343.07983	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	343.1015
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.03922	0.3
59.04982	1.8
61.02899	0.4
63.02321	0.4
69.03397	1.3
70.06577	0.3
71.04927	0.3
77.39586	0.2
79.05448	1.4
81.03404	0.2
84.38942	0.3
85.02888	2.5
86.03210	0.3
87.04433	2.2
89.03884	7.8
89.93188	0.2
91.05452	0.8
93.07008	0.3
97.02845	2.2
105.05453	0.5
107.04928	3.9
109.02821	0.3
111.04409	0.5
117.03341	9.3
117.09090	0.3
119.04895	0.5
123.04386	0.3
127.03868	1.2
135.04375	25.1
139.03838	0.5
145.02803	17.5
147.04300	0.3
163.03847	100.0
166.98091	0.3
179.03322	1.4
180.03671	0.5
181.04910	16.1
231.08366	0.3
245.92166	0.3
249.09531	0.4
278.43582	0.3
283.94131	0.2
343.09836	0.3
343.13583	1.7
351.91690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.7
55.05498	37.2
57.03424	6.7
57.07055	3.1
67.05484	87.7
69.03403	4.7
69.07048	40.4
69.07807	2.3
71.04946	5.2
73.88211	2.2
79.05461	63.7
81.03398	6.1
81.07028	100.0
82.07367	2.5
83.04951	5.7
83.08601	11.9
83.78586	2.2
85.06540	3.9
91.05440	51.3
93.07011	58.4
94.26406	2.5
95.04947	16.2
95.08571	45.9
97.06500	15.1
97.10136	5.9
105.07004	43.1
107.04914	4.3
107.08571	35.6
109.06489	3.1
109.10114	17.9
117.06989	14.2
119.08537	25.7
121.06477	3.2
121.10094	19.7
123.08012	4.9
123.11665	3.7
127.40958	2.7
131.08528	20.0
133.10129	23.4
135.11644	34.2
137.09608	4.1
143.08521	3.7
143.94426	2.8
145.10056	11.2
147.11693	12.6
149.13245	6.2
151.11061	3.2
157.10144	3.6
159.11679	5.7
163.11124	2.9
173.13232	6.5
177.12712	3.3
181.12219	6.6
195.13824	11.8
213.14809	5.9
215.80365	2.9
275.19901	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	342.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79848	2.0
53.00299	2.4
53.03915	4.3
53.84626	2.2
54.29012	2.0
55.01856	3.1
55.05498	31.0
57.03421	6.4
60.94847	2.6
63.30714	2.1
63.82231	2.1
65.19308	2.1
67.05154	4.2
67.05486	84.9
69.03397	4.0
69.07043	63.5
70.06557	2.7
71.04964	14.2
77.65542	2.3
79.05464	66.7
81.03391	4.8
81.07030	100.0
83.04969	12.5
83.08598	13.0
85.06514	4.9
87.86015	2.5
88.66856	2.8
91.05444	54.5
93.07004	61.8
95.04939	26.4
95.08561	40.4
97.06480	18.3
97.10162	2.5
105.06990	44.1
107.04924	4.2
107.08556	33.7
109.06477	6.2
109.10107	21.3
117.07001	17.4
119.08548	37.4
121.06474	4.2
121.10106	19.9
123.08035	5.4
123.11689	4.1
129.06981	5.6
131.08530	22.1
133.06514	3.1
133.10094	24.4
135.08034	3.5
135.11655	23.1
137.09589	3.5
143.08562	5.0
145.10104	19.3
147.11641	16.1
149.02361	2.6
149.09624	4.7
149.13268	4.2
155.08490	3.1
157.10110	2.7
159.11708	5.1
161.13287	3.7
163.11087	4.5
171.11749	2.7
178.63263	2.6
181.12216	11.1
195.13867	3.4
227.48741	2.9
257.18985	3.3
275.19980	27.1
289.21542	4.0
307.22836	3.1
307.83337	3.0
342.33493	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	342.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
54.80957	5.1
55.01850	7.2
55.05493	52.5
57.03407	8.7
57.07073	3.5
58.02885	3.0
66.28117	3.3
67.05482	100.0
69.03396	5.6
69.07051	38.8
71.04971	4.5
79.05454	83.9
81.03390	6.7
81.07024	70.9
83.04934	6.1
83.08604	17.1
89.97346	3.3
90.35992	3.2
91.05447	54.6
92.89823	3.9
93.07012	71.6
93.57372	3.3
95.04932	33.1
95.08572	51.5
97.06485	7.1
97.10118	16.9
105.07000	45.8
107.04925	5.6
107.08562	50.6
109.10117	38.8
117.06965	9.4
119.08540	36.8
121.10075	18.0
125.09591	6.5
128.11711	4.4
131.08516	19.5
133.10094	29.4
135.11642	7.8
137.09586	8.8
145.10068	16.9
147.11639	18.2
149.09532	4.5
159.11580	7.6
173.11685	26.0
173.13113	4.1
187.13312	5.8
203.12755	6.6
203.99950	3.9
267.16412	4.1
275.20007	6.1
342.33258	5.3
349.66864	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	342.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34146	0.5
51.74480	0.5
54.13455	0.6
54.80604	0.5
54.91075	0.6
55.01865	0.7
55.05489	0.7
57.03420	13.2
57.52999	0.6
59.04986	1.1
61.02906	3.8
69.03404	6.7
71.04974	7.1
71.08601	4.3
73.02897	1.1
79.05434	1.1
81.03395	3.0
81.07034	8.0
83.04932	0.7
85.02872	25.7
85.06507	4.5
95.59470	0.6
97.02848	6.3
99.08060	21.2
109.02842	1.4
109.06475	6.8
117.09090	100.0
127.03880	3.3
127.07547	5.6
145.04938	1.2
163.09581	12.3
180.30112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
54.81173	0.5
55.01857	0.8
55.05497	14.5
57.03416	2.6
57.07055	33.3
59.04964	0.9
59.27504	0.7
61.02905	5.6
63.04464	1.1
68.95251	0.5
69.03400	8.3
73.02863	0.9
80.59971	0.7
81.03384	3.7
82.25432	0.5
83.08592	5.7
85.02873	35.9
87.04408	1.0
89.05992	60.3
91.03911	0.6
92.08669	0.8
97.02848	9.7
99.04411	2.9
101.09615	25.6
107.07031	46.1
109.02827	3.6
112.97559	0.5
127.03899	4.9
145.04918	2.9
163.13228	100.0
295.05130	0.7
345.16699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42435	0.8
53.03928	2.3
55.01856	1.1
55.05491	1.1
55.35982	1.0
56.96541	6.5
57.03425	9.2
59.04968	2.2
61.02893	2.5
68.99752	0.9
69.03397	11.3
71.04966	7.1
71.08575	1.9
72.88572	1.1
73.02895	9.6
79.05482	1.1
81.03374	10.8
81.07037	5.7
82.82971	1.0
83.04961	5.4
85.02876	73.7
85.03387	2.5
87.04440	1.4
89.03896	5.0
91.05454	2.0
91.33518	1.0
93.07024	4.9
95.04946	1.9
97.02876	11.4
97.06517	1.2
98.97559	8.6
99.04417	40.8
99.08044	11.1
103.03909	90.1
103.05385	2.1
107.04926	1.2
109.02867	7.2
109.06496	7.1
111.04418	7.0
115.03885	1.4
116.98601	7.1
117.03342	5.2
117.05424	10.6
117.09093	51.3
121.06461	100.0
122.06896	1.1
127.03873	57.0
127.07537	5.4
128.98593	1.2
132.80249	1.1
135.04401	8.1
135.26001	0.9
137.02316	18.4
137.03331	1.6
138.06628	1.1
138.09087	13.1
143.00212	1.2
145.02966	3.4
145.04921	28.5
146.99625	1.8
147.04405	1.6
161.01212	1.8
163.03860	25.3
163.05957	37.4
163.09627	5.3
164.04182	1.6
164.60823	1.1
179.03372	1.2
180.06242	15.6
180.08624	3.8
219.01797	4.7
237.02692	11.4
276.01743	1.2
292.48856	1.1
311.96844	1.1
329.05566	1.4
342.11481	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	341.283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18161	12.1
51.79561	9.6
55.05502	20.4
67.05475	18.4
68.90485	11.7
79.05483	12.3
81.07038	100.0
83.08609	12.7
91.05470	19.9
93.06989	98.9
95.08572	74.8
105.06998	55.1
107.08543	70.9
109.10124	15.1
119.08517	82.7
121.10105	50.9
131.08469	18.0
133.10088	18.1
135.11655	18.9
143.08545	11.6
145.10069	17.8
147.11678	15.2
149.13188	15.7
159.11723	28.5
163.14685	16.9
185.13206	12.2
234.73280	11.8
250.23354	11.2
256.41641	12.0
323.27573	15.1
341.27988	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	341.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	35.2
56.96535	16.1
59.58451	3.0
67.05477	22.4
69.07037	35.3
71.04970	7.9
75.23699	2.7
79.05463	14.3
81.07030	56.2
83.08560	6.9
85.06500	13.1
91.05449	27.2
93.07015	48.4
95.04910	7.4
95.08572	64.0
97.10120	4.1
98.97536	4.4
99.08056	24.5
105.07007	42.3
107.08566	55.1
109.06476	3.3
109.10118	21.9
113.96378	3.2
116.98563	5.7
117.07001	7.2
119.08555	40.9
121.10070	32.4
123.11661	13.4
129.06960	5.6
130.38232	3.4
131.08525	16.8
133.06438	3.2
133.10086	22.1
135.11662	20.0
137.13174	7.1
143.08516	17.2
145.10083	46.5
147.11661	25.0
149.13242	4.7
157.10091	14.8
159.11638	21.8
161.13206	20.6
163.14809	12.3
171.11659	6.6
173.13234	15.8
177.16200	3.8
180.70569	4.4
185.13220	14.5
187.14735	12.2
189.16373	6.9
201.16295	4.1
203.14279	20.8
203.17970	6.6
215.17511	3.1
217.15840	6.3
245.18788	4.5
257.18964	12.4
322.52863	3.5
323.27310	20.1
340.28378	6.0
341.28308	100.0
351.90482	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	341.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.5
53.03917	2.1
55.01850	3.1
55.05493	16.9
56.96543	6.9
57.03418	2.7
57.07067	11.1
58.14531	1.1
59.04987	1.7
67.05486	25.5
69.03391	7.7
69.07043	29.4
71.04963	18.6
79.05469	25.6
81.03405	1.2
81.07029	100.0
83.04938	2.9
83.08582	6.8
85.02872	2.5
85.06516	14.2
89.05997	1.5
91.05466	20.2
93.06427	2.0
93.07011	56.6
95.04928	17.6
95.08575	71.0
97.06477	11.0
97.10120	2.3
98.97540	2.1
99.08040	2.8
102.93555	1.3
103.05454	1.6
105.07004	31.2
107.04922	6.3
107.08566	32.5
109.06494	11.4
109.10126	33.9
111.08060	32.5
117.06981	2.7
119.04906	1.3
119.08526	26.6
121.06467	8.4
121.10109	29.8
122.03619	2.2
123.08011	7.5
123.11664	66.4
123.12559	2.4
125.09594	2.2
127.11187	6.4
128.06197	1.3
128.88951	1.3
129.06953	2.5
130.07742	1.3
130.26878	1.3
131.08516	7.9
133.06430	1.5
133.10107	14.0
135.04352	1.7
135.08028	2.1
135.11670	14.7
137.05931	23.2
137.09598	5.5
137.13223	18.8
139.11151	2.5
140.65390	1.2
141.12730	2.0
143.08574	2.0
144.05571	1.3
145.10057	12.7
147.11658	15.3
149.05914	1.6
149.09569	5.4
149.13208	7.0
151.07536	2.1
151.11197	2.4
153.12700	10.6
157.10074	6.7
159.11621	10.5
161.09555	2.4
161.13211	2.9
163.03830	2.4
163.11145	1.3
163.14766	1.4
165.12682	5.2
169.12140	2.0
171.11658	2.8
173.13187	4.9
174.06839	1.9
175.07460	2.0
175.14790	5.0
177.05432	1.7
183.17303	1.4
185.13170	2.1
187.07469	12.2
189.09113	1.6
189.16368	2.9
190.26599	1.4
191.14207	1.5
201.16336	8.0
203.08524	5.5
211.07462	5.6
213.16368	2.1
217.19389	1.7
219.08055	2.7
219.17384	2.9
225.00638	6.0
225.18265	1.5
227.07013	7.2
231.07928	4.9
235.20555	2.9
239.06993	2.4
240.07652	3.0
247.07635	1.4
248.08211	9.6
255.06480	6.5
261.08963	1.5
261.21881	1.7
263.10645	2.2
269.07779	1.6
269.22577	1.8
270.08862	10.2
271.09546	5.7
276.07623	2.1
277.08554	2.2
279.10040	1.9
287.23557	12.8
291.10031	10.7
293.08105	2.0
293.24680	8.5
301.20847	1.4
305.24677	34.0
311.12579	2.1
313.03818	3.0
323.12741	8.4
323.25821	17.7
331.04764	5.7
341.13687	2.2
341.21051	15.7
349.05740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77203	1.3
52.48907	1.3
53.03937	1.6
55.01847	4.2
55.05500	40.6
55.32450	1.3
57.03424	3.4
57.07059	15.4
57.42311	1.2
59.04972	3.2
67.05484	33.9
69.03408	8.7
69.07045	71.8
71.04965	7.4
71.08595	2.9
79.05460	32.2
81.07030	100.0
83.04942	8.7
83.08593	30.1
85.06518	7.8
85.10147	1.7
91.05451	22.0
93.07012	77.3
95.04931	20.8
95.08570	66.9
95.25546	1.5
97.06477	13.3
97.10128	7.8
105.06987	27.3
107.08565	40.4
109.06477	27.5
109.10128	41.7
111.08061	23.5
111.11681	2.7
117.06994	4.2
119.08542	29.6
121.06448	2.4
121.10099	55.8
123.08029	6.8
123.11659	19.5
125.09565	3.5
127.07513	2.4
129.06978	3.6
131.08499	10.7
133.10083	20.0
135.11649	9.4
137.05946	3.1
137.09593	7.7
137.13206	10.8
139.11131	3.2
145.10086	9.0
147.07974	2.0
147.11642	11.0
149.09567	3.1
149.13226	10.8
157.10052	4.0
159.11649	4.0
161.09550	2.3
161.13277	6.7
163.14690	2.9
167.10603	3.2
173.13226	2.3
175.11183	2.2
189.16263	3.1
205.01187	2.0
235.20441	2.6
269.22598	2.1
287.23578	8.4
293.24670	3.2
305.24667	17.0
323.25690	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	341.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	9.1
55.05497	20.8
57.07047	4.1
57.52889	1.7
59.04971	8.2
59.23446	1.6
67.05479	43.4
69.03387	9.0
69.07042	37.7
71.04966	14.8
76.48122	2.0
79.05466	16.8
80.49183	2.0
81.07022	78.0
83.04947	3.3
83.08593	7.9
85.06494	3.2
91.05434	12.1
93.07001	57.8
95.04921	9.1
95.08572	100.0
97.06480	14.0
105.06986	29.4
107.08557	38.2
109.06487	10.0
109.10128	28.4
109.23367	2.0
111.08039	41.8
111.11761	2.4
112.84037	2.0
117.06963	2.8
119.08531	21.5
119.09262	2.8
121.10109	34.2
121.47755	1.9
123.07998	3.4
123.11647	21.7
125.09595	3.5
127.11164	2.8
131.08524	3.6
133.10077	13.3
135.11653	19.1
137.05940	4.2
137.09601	9.5
137.13181	2.2
139.11121	11.9
145.10094	8.2
147.11681	15.2
148.63510	2.0
149.09552	2.0
149.13223	13.5
151.11118	3.2
153.12718	2.8
159.11636	9.2
161.13141	3.2
163.11185	4.4
165.12753	2.0
171.11459	2.2
173.13210	3.0
175.14706	2.6
177.16289	2.1
189.16357	4.4
201.16309	10.3
207.17476	3.0
209.88939	2.2
217.19444	3.0
219.17407	3.6
250.06065	3.6
265.08429	16.4
275.23599	2.5
287.23636	8.7
293.24673	7.9
305.24625	17.4
309.11069	15.9
323.25714	4.9
341.13803	2.9
359.87744	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	2.2
53.03936	2.2
55.05494	12.6
56.96539	10.9
57.07043	8.9
59.04998	2.8
67.05208	1.5
67.05486	24.8
69.03399	2.1
69.07045	22.9
71.04968	13.3
79.05458	13.9
81.07027	100.0
83.08587	4.6
89.08019	2.3
89.74149	1.7
91.05450	17.5
93.07014	68.6
95.04931	38.8
95.08577	80.4
97.06489	2.8
98.97536	2.7
102.34259	1.7
105.06989	28.0
107.08571	18.4
109.06490	9.2
109.10126	21.1
111.08073	20.3
116.98611	3.6
119.08530	18.4
121.10066	17.7
122.74471	1.7
123.08041	3.4
123.11676	24.2
124.51649	1.7
127.11156	2.7
131.08582	2.1
133.10092	9.1
134.06697	2.2
135.08009	3.5
135.11644	7.6
137.13225	44.3
139.11171	2.2
145.10089	10.9
147.11646	17.8
153.12691	2.2
157.10104	4.2
159.11647	8.1
161.13203	8.9
165.12701	3.6
171.11728	3.4
172.89592	1.8
173.13170	3.3
175.14731	2.8
185.13196	3.4
201.16301	2.4
213.16441	1.9
214.66391	1.9
287.23538	9.0
293.24664	2.7
305.24661	7.4
311.25787	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70963	1.5
52.41102	1.6
53.03912	1.5
54.66389	1.6
55.01850	2.0
55.05486	11.9
55.36708	1.6
56.96527	2.4
57.07044	4.0
67.05483	13.8
67.29070	1.7
69.03394	3.0
69.07040	8.8
71.08599	3.9
79.05441	15.8
81.07024	23.9
83.08589	3.1
91.05444	15.6
91.80991	1.9
92.83282	1.9
93.06998	25.9
95.04919	10.7
95.08569	20.6
97.02876	13.9
97.06502	4.7
98.97498	2.3
99.08055	2.2
105.06985	12.4
105.41718	1.9
107.08546	14.0
109.06467	4.3
109.10122	9.4
111.04417	16.7
113.50265	2.0
113.93143	2.0
116.06223	2.0
116.98466	2.2
117.07019	3.1
119.08533	13.3
121.06455	10.5
121.10100	13.0
123.08048	3.6
124.05198	2.3
131.08549	14.5
133.10089	4.0
145.10167	2.3
149.09586	8.9
165.12672	3.1
167.10522	2.0
178.95584	1.9
181.12172	100.0
295.24136	2.4
305.20926	4.6
307.22659	2.2
341.24872	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92202	1.1
55.05492	2.2
67.05476	3.2
69.07029	2.9
70.34093	1.3
71.04954	7.6
73.54623	1.4
75.24953	1.2
79.05465	3.0
81.07011	15.6
91.05433	7.8
93.06979	8.2
94.04106	1.9
95.04926	2.1
95.08570	11.0
98.97556	1.4
101.10403	1.6
103.05454	1.6
105.06968	5.3
107.08541	6.7
109.06487	1.6
109.10104	6.4
111.08031	3.1
115.05407	1.6
117.06945	1.8
119.04955	1.6
119.08516	1.7
121.10133	2.9
122.03592	14.0
123.11646	6.5
128.06166	2.5
129.06937	12.5
131.04886	2.5
133.02782	6.0
133.10085	3.3
137.05922	100.0
137.13223	2.3
143.04900	1.6
144.05663	6.7
147.04364	1.7
147.11629	1.3
149.05946	5.2
151.03873	1.7
151.07504	3.4
157.06387	6.0
158.07130	1.6
160.05110	6.5
161.05937	1.5
163.07523	1.7
165.05424	5.2
168.05649	1.8
171.05826	1.4
171.08057	1.7
172.05138	9.1
174.06674	11.6
175.07413	12.7
177.05481	4.7
187.07466	43.9
188.08267	1.6
189.09015	12.8
191.08496	3.2
196.05106	8.3
197.05861	1.8
199.07539	2.4
199.35539	1.4
202.07741	7.5
203.08405	19.6
205.06393	5.4
211.07466	27.4
212.04607	6.8
213.05420	2.8
217.08531	12.7
219.08098	11.7
220.08772	9.8
227.06943	41.9
228.07835	2.1
231.07941	22.5
232.08678	2.5
233.05888	2.7
233.09460	2.8
235.07588	2.5
236.08249	6.0
237.09087	2.5
239.06847	14.0
240.07658	16.1
241.04880	1.6
241.08488	2.7
247.07413	9.4
248.08177	29.3
249.09021	5.1
251.10617	4.8
253.08368	1.6
255.06409	32.1
256.07208	8.6
259.07446	7.3
260.08481	1.7
261.09012	2.9
262.05905	1.7
263.10513	19.1
264.07590	5.0
265.08496	8.0
268.07138	7.9
270.08740	40.2
271.09528	20.3
276.07681	13.6
277.08560	6.9
278.09308	2.3
279.10114	9.5
279.94449	1.4
280.10736	1.8
281.07941	2.6
283.09558	13.3
291.10037	50.1
292.10834	5.4
293.07916	9.4
296.10321	7.3
304.06906	1.5
305.24551	2.5
307.09647	1.8
308.10263	7.0
311.12692	7.6
315.09421	1.6
323.12613	30.4
341.13754	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	341.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57411	0.1
56.01626	0.1
59.04966	0.1
63.13629	0.1
67.01836	0.2
67.05470	0.1
68.99747	1.0
69.03386	0.5
69.07044	0.1
71.04952	0.2
73.44167	0.1
81.03384	0.4
81.07009	0.4
85.02451	0.1
85.02872	1.1
85.06516	0.2
87.04422	0.1
91.01807	0.1
91.05407	0.1
96.03532	0.1
97.02831	0.5
109.02872	0.2
109.06490	0.1
111.04399	1.0
122.06023	0.1
123.04362	0.2
126.66827	0.1
127.03896	0.1
133.02791	0.3
135.04388	0.1
136.07516	0.6
137.02310	0.2
137.05916	1.0
147.04385	0.2
148.04761	0.1
151.03850	0.2
154.08549	0.2
155.03307	0.8
156.06509	0.2
161.02280	0.2
163.03851	0.1
179.03323	100.0
180.03662	0.2
277.05075	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	341.086
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.41990	0.1
52.46874	0.1
64.36283	0.1
68.99750	0.9
81.03394	0.2
85.02869	0.3
98.96766	0.1
98.97543	0.2
111.04439	0.9
119.04942	0.2
123.04391	0.2
127.03831	0.2
131.76782	0.1
133.02832	0.3
136.06119	0.2
137.02295	0.6
147.04353	0.5
155.03339	0.9
161.02341	0.2
161.05951	0.3
163.03873	0.1
168.39749	0.1
179.03331	100.0
180.03688	0.1
295.06055	0.3
341.12173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.4
62.34406	0.1
64.97797	0.1
69.03419	1.3
73.02876	0.2
77.03879	0.2
81.03375	0.2
85.02869	2.1
86.18774	0.2
89.03856	0.7
95.04966	0.2
97.02843	1.0
105.03346	0.7
109.02812	0.3
117.03320	0.3
123.04387	14.5
127.03825	0.3
133.02806	13.9
135.04395	2.8
147.04298	0.2
151.03850	5.5
179.03333	100.0
180.03633	0.7
216.72754	0.2
341.08408	1.2
352.06116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0859
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03900	0.2
55.01839	0.2
55.05494	0.2
57.03410	0.2
61.02896	0.4
62.08299	0.1
69.03414	1.8
71.04956	0.9
73.02879	0.3
77.03879	0.3
79.05433	0.2
81.03378	1.0
85.02871	2.5
85.06522	0.2
86.74911	0.1
89.03879	0.6
92.09251	0.2
95.04897	0.2
97.02860	1.2
105.03355	0.4
107.08524	0.8
109.02853	0.4
117.03338	0.3
118.93784	0.2
123.04388	14.1
125.09561	0.9
127.03882	0.3
133.02806	13.7
135.04372	2.2
143.10629	2.0
144.10944	0.3
151.03860	5.8
178.51924	0.2
179.03333	100.0
180.03708	0.3
223.07449	0.4
258.16693	0.2
341.08597	1.7
341.12262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06752	0.8
53.09631	0.5
54.60229	0.5
55.01862	0.8
55.05493	7.0
57.03423	1.3
57.07050	3.6
59.04968	2.5
61.02900	1.4
67.05485	1.2
69.03410	8.8
69.07047	10.8
71.04572	1.1
71.04965	30.8
71.52861	0.7
73.06522	6.4
79.05466	3.4
79.40765	0.6
81.03397	1.0
81.07025	3.2
83.04935	5.8
83.08598	7.1
85.02877	10.9
85.06516	21.3
95.04913	0.8
97.02854	2.6
97.06498	4.0
97.10133	15.4
99.04395	1.3
105.06995	0.7
107.08556	34.6
108.30291	0.6
109.02854	1.0
115.07520	3.1
124.07537	0.9
125.05972	2.6
125.09583	58.8
126.20357	0.8
127.03858	1.3
132.04425	1.6
136.06154	11.7
136.07491	2.5
137.07932	1.3
141.09058	1.0
143.06992	12.3
143.10631	100.0
145.04900	1.0
147.04420	0.9
152.07077	2.7
153.07420	0.8
155.83948	0.7
160.45033	0.6
161.08012	15.2
164.07062	1.3
165.07370	1.0
167.10513	0.8
178.03377	1.2
178.04929	37.7
179.03343	3.0
305.15826	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	340.1019
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
50.96635	0.1
53.03920	0.8
55.01844	0.9
55.05284	0.1
55.05496	2.0
56.15012	0.1
57.03423	0.9
57.06790	0.2
57.07056	6.4
59.04971	0.2
61.02911	1.3
67.05473	0.2
69.03040	0.2
69.03405	5.4
69.07037	0.2
71.04961	0.6
71.15835	0.1
72.58015	0.1
73.02873	0.8
76.64317	0.1
79.05447	0.7
81.03385	4.4
81.07015	0.8
83.01307	0.2
83.08585	1.9
85.02876	8.7
85.06509	0.8
86.08983	0.1
87.04430	0.6
91.03898	0.3
94.06542	0.2
95.08523	0.1
97.02853	4.7
97.10136	3.1
99.04422	0.6
103.07536	0.3
104.04931	0.6
107.08579	1.0
109.02846	2.1
119.04897	0.6
120.05225	0.2
122.05981	0.7
125.09589	3.2
127.03867	2.6
131.44896	0.1
132.03433	0.2
132.04417	5.8
141.09079	0.2
143.10635	3.1
145.02780	0.3
145.04897	1.0
146.03149	0.2
147.04355	1.4
148.04692	0.8
160.03880	0.2
161.11687	0.7
166.97646	0.1
177.05371	0.6
178.04930	100.0
179.05247	0.6
209.64911	0.1
229.10654	3.2
247.11623	1.7
258.10315	0.1
340.10208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	6.4
55.05487	17.4
58.80484	2.5
83.08566	5.1
85.02868	4.7
91.05463	13.6
97.10114	20.9
99.08061	12.0
105.03377	3.3
105.06975	5.6
107.04918	26.7
119.04887	41.2
120.05255	19.9
125.09582	4.1
131.04880	20.7
133.02803	20.2
133.06459	35.6
135.04356	5.8
143.10612	7.6
145.02794	4.2
147.04366	91.6
148.04738	49.2
149.05954	12.4
159.04395	3.9
161.02287	21.3
161.05910	46.0
163.03767	3.4
171.04292	5.4
177.05412	4.6
179.03310	12.4
187.03874	15.2
189.05412	79.4
194.06741	3.1
194.74376	3.2
199.03856	19.7
217.04912	67.7
251.12320	3.6
263.05411	100.0
266.85822	3.5
323.07516	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	339.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	0.7
53.03923	1.0
53.37818	0.6
55.05494	8.8
56.96522	0.6
57.03412	1.1
57.07051	7.1
58.96680	0.6
59.04979	2.7
61.02895	3.0
65.03911	0.6
65.32293	0.6
67.05479	41.3
69.03396	3.9
69.07041	4.8
69.62171	0.7
71.04966	68.3
71.08601	1.7
73.06557	0.8
79.05463	5.5
81.03375	1.7
81.07024	100.0
83.04951	1.6
83.08599	0.9
83.70301	0.6
85.02878	11.0
85.06509	17.5
85.10171	0.7
87.04427	1.3
91.05435	6.1
93.07049	0.9
94.06540	0.9
95.08570	14.8
96.08918	1.1
97.02853	4.6
97.06481	1.2
97.10131	1.7
99.04430	0.8
99.08058	4.1
105.06967	0.8
110.06028	1.0
111.04429	0.8
113.09608	1.0
114.09953	0.9
115.07558	1.4
119.04900	15.6
122.05991	13.1
123.04398	3.7
123.11656	18.1
135.04347	1.3
136.06187	1.2
136.07530	4.5
137.05948	1.5
138.09085	1.6
141.09073	2.8
141.12698	71.3
142.09393	1.3
143.07030	1.7
145.02829	1.4
147.04361	44.7
148.04828	0.7
150.05457	5.5
154.08566	1.7
159.10201	1.0
159.13747	41.3
161.05881	2.4
163.03787	5.9
166.04892	0.9
172.09637	1.2
177.14792	16.1
191.03313	1.7
201.05331	1.0
203.03348	5.5
215.08191	0.9
216.10173	0.7
219.02780	11.5
231.02774	2.8
233.07787	0.9
267.11148	1.0
279.04926	4.2
285.12030	1.1
303.13327	1.3
321.14267	3.8
339.10263	0.8
339.15311	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1066
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
59.39031	0.2
64.32335	0.2
65.03915	1.0
67.05480	0.4
70.06562	1.4
71.06885	0.2
83.04952	1.2
85.02866	0.4
91.05445	13.1
91.06020	0.4
93.03368	0.2
95.04904	0.3
102.31725	0.2
111.04404	0.3
112.07576	1.2
116.06999	0.2
119.04897	40.1
123.04408	0.2
126.25763	0.2
147.04364	100.0
148.04686	0.3
158.08012	0.4
159.08488	0.3
160.08456	0.3
165.05391	0.4
355.12622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72000	0.2
55.05487	0.4
56.96545	0.5
56.99016	0.2
57.03406	1.0
61.02898	1.3
65.03909	1.1
67.05465	0.5
69.03413	3.4
70.06570	1.2
73.02887	0.2
77.31452	0.2
78.33615	0.2
81.03375	0.4
81.14243	0.2
83.04937	2.0
85.02502	0.2
85.02890	2.7
91.05447	13.9
95.01286	0.6
95.04936	1.1
97.02855	0.5
98.97551	0.4
101.00826	0.6
111.04401	1.3
112.07561	0.9
115.02387	0.4
116.98579	0.4
119.01900	4.9
119.04903	36.9
123.04409	0.3
127.03857	0.5
129.05440	0.3
133.03398	0.5
137.02950	0.4
143.01860	0.3
145.03398	1.6
147.04366	100.0
156.03580	0.3
157.03432	3.7
161.02948	1.2
167.95068	0.2
173.02916	0.5
175.04471	2.0
176.52446	0.3
181.80927	0.2
189.13596	0.3
199.72763	0.2
203.03421	1.9
205.05476	1.1
223.06566	5.9
237.02666	0.3
241.07570	3.6
277.07584	1.4
321.06461	1.5
338.32492	0.3
339.07596	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1064
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.88014	0.3
56.82625	0.4
64.87270	0.3
65.03918	1.9
83.04932	0.5
91.05444	16.5
91.06013	0.5
92.61949	0.5
94.11784	0.4
119.04897	43.6
147.04359	100.0
148.04684	0.5
177.05344	0.6
216.82715	0.4
337.03534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1066
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
51.91376	0.2
56.80119	0.2
59.21233	0.2
65.03912	1.0
67.05476	0.3
70.66701	0.2
75.29501	0.2
77.86818	0.2
83.04958	0.7
91.05439	12.3
95.04934	0.3
100.68327	0.2
102.10860	0.2
107.39680	0.2
111.04399	0.4
119.04897	36.5
139.03725	0.2
147.04359	100.0
148.04709	0.8
150.92119	0.2
165.05376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	1.8
60.66583	1.4
64.18747	1.4
67.05470	2.2
69.03399	3.6
71.04963	2.3
77.64967	1.6
81.03369	1.6
83.04950	2.2
85.02882	9.5
89.03851	2.6
91.05448	3.4
95.08598	3.2
97.02882	2.1
98.97520	3.9
99.08079	1.7
116.98561	1.5
119.04901	10.6
126.65197	1.5
135.04373	2.2
141.05411	2.6
141.09106	6.6
142.09492	2.5
145.02615	2.3
147.04362	29.3
157.43446	1.7
162.16182	1.6
163.03876	11.9
203.03387	13.3
231.02896	2.2
335.37814	1.7
339.10410	100.0
339.14969	8.0
340.31976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1066
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.81417	0.2
64.80003	0.2
65.03916	1.2
67.05460	0.3
69.03386	0.2
69.07034	0.3
71.04951	0.9
73.02921	0.2
78.49700	0.2
81.06979	0.3
83.04939	0.5
85.02873	1.9
91.05447	14.1
91.06023	0.5
95.04906	0.5
95.08559	1.3
96.08944	0.2
97.02871	0.4
99.07993	0.2
108.48065	0.2
111.04336	0.3
113.05942	1.2
114.06255	0.4
115.07572	0.5
119.04901	37.8
123.08009	0.4
127.03877	0.2
135.04445	0.4
136.07545	0.3
137.92126	0.2
141.05457	0.4
141.09061	1.7
142.05820	0.3
142.44971	0.2
147.04367	100.0
153.09024	0.2
159.10130	0.5
160.06783	0.3
163.03786	0.5
278.32513	0.2
293.04312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15733	0.4
54.81110	0.5
55.01855	1.2
56.73650	0.4
57.03418	0.6
61.02923	0.5
67.05448	0.6
69.03366	0.6
81.07019	0.5
83.04937	0.9
89.03864	0.7
91.05435	4.1
95.08597	1.6
99.88149	0.5
103.05426	2.8
103.66020	0.5
109.29957	0.5
115.05415	1.1
117.03304	1.2
119.04905	10.8
121.02837	3.8
122.77434	0.5
123.04363	5.8
129.06992	0.6
131.04877	5.4
135.04353	4.0
139.92332	0.6
141.09084	1.1
143.04892	0.9
145.02765	1.2
147.04362	67.5
149.02293	9.5
149.05937	1.0
153.37509	0.6
157.02780	0.7
157.06377	0.6
159.04350	3.3
161.05878	1.3
163.03862	13.0
173.05930	1.0
175.03810	6.4
177.01784	5.3
177.05380	5.0
185.05922	0.8
187.03819	6.0
189.05406	2.8
191.03378	1.1
203.03326	100.0
205.04843	6.5
213.05299	0.7
215.03300	7.0
217.04790	0.8
219.02873	2.8
229.04819	2.5
231.02763	13.0
233.04309	3.3
261.03900	6.0
279.04962	7.0
291.05005	4.4
339.06564	0.7
351.81674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.2
57.03413	0.9
60.64643	0.4
65.03900	0.3
67.05462	0.5
69.03384	0.5
69.07027	0.5
70.79859	0.3
71.04955	0.9
73.17527	0.4
79.05434	0.6
81.03358	0.4
81.07008	3.3
82.11909	0.4
85.02864	1.9
87.04382	0.5
89.03882	0.8
91.05437	2.1
93.82993	0.4
95.04924	0.4
95.08566	2.2
97.02798	0.4
99.08054	2.0
101.05960	0.4
103.05453	2.8
106.71936	0.4
107.04941	0.7
113.09620	0.9
115.05394	0.9
117.03320	1.6
119.04881	3.2
121.02814	3.4
123.04397	5.7
123.08031	0.8
129.03325	0.5
131.04900	4.1
135.04346	3.3
141.09074	2.9
142.09445	0.5
143.04852	0.6
145.02808	2.2
147.04366	46.0
149.02296	10.0
149.05934	2.4
151.03918	1.0
157.02803	1.6
159.04335	4.7
159.10121	0.4
161.05913	0.8
163.03842	11.6
173.05913	0.9
175.03862	5.9
177.01796	4.8
177.05351	4.8
183.04193	0.5
185.02205	0.7
185.06035	0.5
187.03816	5.1
189.01688	0.7
189.05392	2.5
191.03351	0.8
193.04893	0.6
201.05391	0.5
203.03331	100.0
205.04872	6.6
215.03340	8.1
219.02794	2.8
229.04767	3.1
231.02808	14.5
233.04369	4.1
244.89929	0.4
257.47589	0.4
261.03799	4.8
279.04929	7.9
291.04840	5.0
303.57538	0.4
339.06992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
54.86382	0.1
55.01843	0.3
55.05486	0.3
56.96542	0.8
57.03411	0.2
58.60728	0.1
61.02901	0.3
65.03900	0.3
67.05462	0.4
69.03395	0.8
71.04951	0.1
73.02867	0.2
79.05456	14.4
81.03378	0.2
81.07020	100.0
85.02869	1.9
91.05450	0.7
93.02382	0.2
95.04939	0.4
95.08572	2.8
97.02843	0.3
97.06482	2.5
98.97546	0.4
99.04442	0.2
102.49503	0.2
108.29327	0.2
109.02887	0.2
113.09609	0.4
116.98581	0.2
119.04877	0.9
123.08007	2.7
141.09056	6.7
147.04361	2.7
159.10138	0.7
163.03860	0.2
201.03052	0.3
215.02809	0.4
216.03558	0.2
259.46027	0.2
340.15073	0.2
357.07068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
57.03416	0.4
61.02891	0.3
63.67028	0.2
65.03927	0.3
68.38204	0.2
69.03395	0.3
79.05459	13.5
79.67078	0.2
81.07023	100.0
85.02876	1.7
89.03891	1.2
90.04208	0.7
95.04926	0.9
97.02859	0.3
107.04958	0.2
110.72953	0.2
111.31902	0.2
113.09610	0.4
114.34332	0.2
117.03342	1.0
118.03695	1.0
127.03861	0.2
127.97613	0.2
135.04344	2.0
136.04697	1.9
136.06219	0.2
141.09050	4.5
145.02809	1.5
146.03116	1.4
147.04393	0.3
163.03844	5.9
164.04179	7.0
202.70657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70541	0.6
55.05492	1.7
57.03415	3.0
58.98744	0.6
61.02916	0.9
62.39223	0.5
67.00572	0.6
67.05478	9.6
69.03391	1.3
69.07046	17.2
71.04945	1.0
73.06520	3.4
79.05484	0.9
81.07027	13.9
85.02876	19.4
85.06484	0.9
86.09676	9.3
93.06992	3.0
94.45892	0.6
95.08572	100.0
97.02860	1.0
97.06511	5.7
99.04415	4.5
99.08054	4.1
113.09612	11.9
115.07519	11.5
121.02869	1.0
123.04399	0.8
123.08029	37.3
128.10681	3.0
141.09064	49.5
147.04370	7.2
149.02309	0.8
159.10117	21.3
163.03822	1.7
163.06288	0.7
175.03889	0.9
177.01784	0.8
203.03343	15.4
212.91762	0.8
213.35045	0.8
231.02832	1.7
231.94850	0.7
279.04993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.6
61.02904	2.1
67.05480	6.0
69.03400	5.6
69.07045	7.1
69.53938	0.7
71.04967	26.0
78.80323	1.0
79.05459	3.8
81.03397	1.2
81.07030	1.5
83.04956	1.3
85.02882	22.1
85.06533	0.8
87.04435	1.3
90.78593	0.8
93.07014	1.3
95.04945	13.4
95.08579	3.5
97.02863	6.4
97.06497	3.6
99.04422	96.8
99.08064	2.1
105.07002	0.8
109.02841	3.4
111.08096	0.8
112.07678	0.9
113.05963	18.2
114.79928	0.8
115.07558	3.3
123.04404	14.3
123.08050	2.0
127.03899	3.6
135.04358	1.7
141.04297	1.6
141.05426	47.6
141.09067	14.7
145.04929	1.1
159.06476	100.0
159.10138	4.4
163.03889	4.3
176.09154	3.2
257.61819	1.0
277.16101	1.1
338.09171	6.2
339.10513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28898	0.3
51.83267	0.3
53.47450	0.4
55.08744	0.4
66.02122	0.3
70.06564	98.4
85.02866	0.6
106.74337	0.4
112.07567	100.0
114.34983	0.4
116.07048	27.8
140.07024	10.9
158.08066	73.9
339.68457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01437	9.3
67.05474	12.6
69.07046	24.3
71.04952	13.3
73.59531	12.8
79.05480	16.0
81.07018	46.9
91.05453	57.4
92.63170	14.2
93.06998	19.2
95.04907	20.5
95.08585	91.3
97.46658	11.0
99.11052	11.5
105.07018	100.0
107.08578	77.4
109.10149	25.4
119.08547	81.0
121.10109	87.5
123.11672	19.0
131.08516	54.5
133.10120	22.2
135.07939	14.1
135.11578	15.0
143.08548	25.6
145.10104	53.5
147.11668	22.4
157.10083	50.7
197.13344	21.2
215.01286	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	338.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48138	0.2
52.89070	0.2
53.03933	0.4
54.80316	0.2
55.01846	1.0
55.05489	0.9
57.03423	2.7
57.82671	0.2
63.80691	0.2
65.03680	0.2
65.03923	3.5
67.05483	2.6
68.99776	0.3
69.03409	0.4
69.07046	0.3
70.07415	0.2
71.01334	0.4
71.04966	2.8
72.65417	0.2
79.05455	0.3
81.03385	3.5
81.07029	10.8
83.08586	1.3
85.02885	2.9
85.06509	1.0
93.03368	4.6
95.04949	0.3
95.08563	2.0
97.02865	1.1
97.10141	0.3
99.08059	61.7
103.31496	0.2
109.02837	2.4
111.04412	24.3
117.03242	0.3
123.11655	4.9
127.03849	2.8
135.04424	0.5
137.02309	100.0
137.03383	7.7
139.03859	32.5
141.08990	2.0
141.12689	3.6
141.77768	0.2
145.04955	0.3
155.03348	25.3
156.09436	0.3
159.10109	19.2
159.13737	0.9
163.03859	0.9
164.04149	0.9
167.03334	12.9
185.04448	0.3
224.67288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0908
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.30779	0.2
53.03926	0.5
55.05494	0.2
60.56970	0.2
63.02343	0.4
67.05495	0.6
71.43063	0.2
76.73980	0.2
79.05447	2.4
81.07003	1.2
89.03874	11.7
91.05433	0.2
93.03402	0.3
93.07005	0.4
95.04346	0.3
95.04929	6.1
95.08580	0.4
97.06458	0.5
107.04913	4.4
111.04417	0.4
117.03329	18.3
121.02815	0.9
135.04359	37.3
139.03833	0.9
139.07417	0.4
145.02798	22.7
145.03847	1.0
151.61374	0.2
163.03833	100.0
164.04175	0.4
181.04863	0.3
208.18013	0.2
251.35095	0.2
319.07651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25463	0.6
50.44218	0.8
54.03967	0.7
54.15250	0.7
55.05495	1.5
56.96548	62.5
57.01553	0.6
57.03416	3.7
61.02908	6.5
62.30719	0.6
69.03400	6.3
70.06571	6.8
70.06915	0.8
70.98092	17.4
71.04974	0.9
71.95235	1.2
72.96063	0.7
73.02884	1.5
74.97578	3.4
81.05353	0.8
84.96005	9.5
85.02885	11.1
88.99132	13.1
97.02864	6.7
98.97548	100.0
99.04434	3.4
101.00832	1.1
102.97025	0.9
107.00169	3.3
109.02814	1.1
110.03919	1.0
110.97536	23.8
112.07584	6.7
112.99094	8.9
115.00684	1.5
116.98583	54.2
117.03935	1.4
119.00168	0.8
119.01860	4.8
124.95467	6.5
124.99084	1.5
126.96995	1.0
127.03902	4.1
128.02264	0.8
128.04169	0.8
128.98558	33.1
131.00125	8.8
131.01788	0.8
133.01685	7.1
133.03424	1.6
134.99611	18.3
140.04990	4.6
140.98575	4.1
142.96489	10.8
143.00143	5.5
143.01884	1.9
144.98019	1.6
145.01611	1.2
145.03429	0.9
145.04866	2.6
146.99605	31.5
149.01181	8.0
151.02698	4.2
152.98579	4.9
155.00148	0.9
156.97974	1.4
157.01752	0.9
158.08090	5.1
158.99600	11.6
160.97548	4.6
161.01180	7.6
161.02899	3.4
162.99142	4.0
165.00639	19.5
167.02165	1.3
170.95937	9.8
170.99582	6.9
171.01184	0.8
171.04993	1.1
172.97632	1.3
173.01323	1.1
173.02855	1.2
174.99104	5.6
175.02731	4.7
175.04407	1.1
177.00656	13.3
179.02251	1.8
183.01727	3.3
184.97502	6.8
185.02852	1.1
187.00731	0.8
188.97005	31.0
189.00656	11.2
190.98592	3.3
191.02246	1.2
191.03928	1.1
193.00172	5.7
193.03845	1.8
195.01680	1.2
201.00795	1.3
202.98608	13.2
203.03983	1.1
205.00131	3.8
205.03857	1.2
206.98088	20.1
207.01662	9.6
217.00186	1.6
217.03787	1.9
219.01698	23.8
220.99606	8.8
221.04991	1.8
223.01251	3.8
224.99107	1.3
227.03995	1.2
230.98076	13.8
234.06696	1.3
235.01167	3.5
235.04782	0.9
237.02730	45.7
239.00783	1.4
244.99670	6.2
248.99002	8.4
249.02759	1.1
255.03809	1.6
263.00677	26.6
267.03845	1.2
277.02322	4.7
277.05893	10.3
281.01672	5.3
295.03479	2.0
295.06882	37.2
305.01605	1.5
337.07904	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	336.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18153	0.7
53.00273	0.9
53.03903	1.7
55.01843	4.3
55.05488	7.4
57.03400	4.7
60.04490	1.2
61.02884	3.9
63.06318	0.7
67.05152	1.2
67.05478	19.8
69.03404	6.2
69.07041	17.4
70.06541	2.0
71.04962	100.0
72.08104	1.3
73.02859	0.9
79.05453	35.0
80.39668	0.8
81.03372	1.8
81.07026	27.0
83.04955	10.9
85.02872	18.5
85.06504	1.1
86.09651	1.5
91.05441	6.0
93.07002	56.0
95.04933	2.9
95.07954	1.0
95.08563	25.3
95.76797	0.8
97.02858	6.7
97.06484	23.0
101.79130	0.8
105.06995	3.7
109.10116	8.8
121.10094	61.3
127.03835	3.7
127.11136	1.7
139.11125	47.8
157.12166	17.5
174.07510	1.0
185.04172	4.2
197.55302	0.9
200.04305	0.7
215.29791	1.1
294.38062	0.8
336.12619	1.6
337.08795	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12885	0.4
53.03903	0.5
55.01846	0.5
55.05490	12.7
57.03419	0.8
57.07055	1.8
61.02899	1.8
62.90293	0.4
67.05475	1.9
69.03406	2.9
69.07040	100.0
71.04967	1.0
73.02899	0.6
81.03400	0.8
81.07027	2.0
82.71262	0.4
83.04977	0.6
85.02872	9.9
86.09698	1.0
89.09081	0.5
93.07009	2.4
95.08569	14.5
97.02859	2.2
97.06493	0.7
97.10139	2.5
98.97551	0.7
100.27058	0.5
108.88548	0.5
109.02842	0.6
111.11681	73.7
121.10087	4.9
139.11128	58.1
142.40117	0.4
143.32912	0.4
145.04964	0.9
145.55862	0.4
157.12181	49.1
163.03918	0.5
226.09138	0.5
270.73962	0.5
303.05081	2.1
322.61111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.257
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.86738	1.7
53.03925	3.4
55.05501	29.3
57.03420	23.1
65.03962	2.2
67.05486	100.0
69.07048	25.1
72.41154	2.1
79.05467	46.1
81.06554	3.7
81.07029	87.1
83.08619	8.4
86.98672	2.5
87.55685	2.2
91.05435	21.6
93.07007	55.3
95.04948	3.2
95.08566	53.6
97.06497	3.0
105.06993	15.2
107.08569	15.3
109.10130	19.0
117.06993	4.1
119.08543	4.9
121.10108	11.0
123.11642	3.8
131.08566	9.9
133.10164	2.6
133.24635	2.2
135.11685	4.3
137.13408	2.6
145.10138	2.7
147.11716	3.1
149.13196	2.5
191.23985	2.3
251.30733	2.3
266.85825	3.6
325.92697	2.6
335.25677	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.257
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05496	30.6
57.03413	24.5
66.10054	4.6
67.05483	100.0
69.07040	23.1
79.05452	57.5
81.07029	93.6
81.47125	5.6
91.05462	22.1
93.07016	59.3
95.08562	57.8
105.06997	11.3
107.08562	32.7
109.10104	13.6
119.08517	7.8
121.10128	19.0
131.08502	7.3
133.10086	6.9
149.13239	7.5
158.57732	6.1
188.84450	5.6
189.06624	6.2
203.41449	5.6
335.25717	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	336.1658
Annotation	Isopentenyl adenosine
Peak:m/z	Relative Intensity
50.48008	0.2
55.01844	1.3
57.03415	1.9
61.02858	0.3
67.05492	0.4
69.03397	0.5
69.07040	7.7
73.02871	1.6
75.59600	0.3
81.07034	0.3
85.02874	1.3
97.02844	0.4
100.64722	0.3
114.35517	0.4
119.03473	0.5
119.89838	0.3
136.06142	100.0
137.04587	0.4
148.06136	26.4
178.07259	0.4
204.12387	40.4
221.41008	0.3
336.16525	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	336.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18153	0.7
53.00273	0.9
53.03903	1.7
55.01843	4.3
55.05488	7.4
57.03400	4.7
60.04490	1.2
61.02884	3.9
63.06318	0.7
67.05152	1.2
67.05478	19.8
69.03404	6.2
69.07041	17.4
70.06541	2.0
71.04962	100.0
72.08104	1.3
73.02859	0.9
79.05453	35.0
80.39668	0.8
81.03372	1.8
81.07026	27.0
83.04955	10.9
85.02872	18.5
85.06504	1.1
86.09651	1.5
91.05441	6.0
93.07002	56.0
95.04933	2.9
95.07954	1.0
95.08563	25.3
95.76797	0.8
97.02858	6.7
97.06484	23.0
101.79130	0.8
105.06995	3.7
109.10116	8.8
121.10094	61.3
127.03835	3.7
127.11136	1.7
139.11125	47.8
157.12166	17.5
174.07510	1.0
185.04172	4.2
197.55302	0.9
200.04305	0.7
215.29791	1.1
294.38062	0.8
336.12619	1.6
337.08795	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.257
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.2
55.01878	3.4
55.05499	28.4
57.03424	24.5
57.07056	3.4
57.27645	1.8
57.87428	1.7
62.27951	2.2
67.05486	100.0
69.07044	24.1
79.05463	48.3
81.06545	4.4
81.07029	96.2
83.08578	3.8
91.05441	31.1
93.07007	49.9
95.04906	5.7
95.08574	73.0
100.90579	2.8
105.07001	15.1
107.08556	22.7
109.10116	20.1
117.06973	3.0
119.08534	10.2
121.10085	13.7
131.08524	11.1
133.10110	3.5
135.11639	9.5
145.10190	2.9
149.13214	8.0
159.11710	3.9
239.12228	2.5
261.22192	3.5
310.68353	3.0
335.25696	82.9
335.38348	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	335.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.9
55.05501	25.8
57.03420	28.7
57.07035	2.2
65.03928	3.0
67.05484	100.0
69.07060	20.0
72.04495	4.2
79.05464	44.8
81.07027	72.0
82.89124	2.3
83.04912	2.7
83.08583	9.0
91.05453	19.7
93.07010	43.6
93.17586	2.0
95.04945	4.4
95.08570	49.6
105.06998	15.0
107.08570	20.9
109.06461	2.4
109.10133	15.6
111.08024	2.6
119.08510	11.5
121.09296	2.1
121.10076	17.1
123.11665	4.6
131.08522	8.3
133.10046	8.5
135.11664	9.9
145.10072	5.0
147.11649	3.6
149.13211	2.5
165.12708	3.3
190.47127	2.5
208.58783	2.5
214.35284	2.1
261.22052	4.2
287.64020	2.6
335.25620	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	335.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.0
57.03409	4.4
57.07066	2.0
67.05487	19.1
69.07027	4.6
72.04500	15.1
72.04836	1.6
79.05458	11.1
81.07037	16.6
91.05450	4.6
93.07019	15.2
95.04932	2.8
95.08566	14.4
97.09076	1.7
105.07019	4.4
107.08552	4.4
109.06493	2.9
109.10134	3.1
119.08548	2.0
121.10110	3.5
131.08508	2.2
133.10098	1.9
141.03809	1.8
165.12711	8.5
166.13062	4.1
177.05463	17.8
178.06218	15.3
187.16615	1.9
191.06972	2.9
191.83392	2.0
233.11610	13.5
235.06210	2.0
274.98846	1.9
335.21872	100.0
335.25772	10.6
357.66495	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	27.2
57.03411	17.1
58.07534	2.7
67.05155	5.5
67.05481	100.0
67.43172	2.5
69.06212	2.9
69.07037	23.7
70.02374	2.8
79.05457	46.9
81.07027	91.6
90.79371	3.1
91.05434	16.7
93.07008	39.7
95.04919	4.1
95.08572	64.6
102.38311	2.7
104.34625	3.2
105.06979	14.7
107.08572	15.2
109.10104	16.3
116.27863	3.0
119.08515	13.2
121.10114	14.4
123.11663	4.2
131.08543	6.7
133.10101	3.5
135.11588	5.6
142.49493	3.4
147.11554	4.3
149.13229	4.2
243.20958	3.8
302.04208	3.2
325.44946	3.5
335.25696	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33920	0.5
53.03925	0.8
55.01841	1.0
55.05460	0.6
56.96533	0.5
57.03403	1.4
61.02894	2.9
61.35835	0.5
65.03899	3.0
67.05479	29.2
69.03404	7.1
70.03748	1.0
71.04929	0.7
73.02864	1.3
76.55781	0.6
77.03882	0.6
78.97729	0.5
79.05476	0.9
81.03374	2.6
81.07002	1.3
83.04939	0.6
85.02876	17.6
86.03198	3.6
91.05425	3.9
92.05758	2.8
95.04932	17.3
97.02853	5.4
98.03135	0.7
98.97540	3.5
99.04414	0.7
109.02821	2.6
110.06028	1.4
116.98584	2.8
119.04887	2.1
120.04451	1.0
120.05254	2.3
127.03870	1.4
133.02837	0.7
134.99629	0.6
137.05931	21.7
138.05434	100.0
138.06287	10.7
145.04900	2.8
146.05315	0.7
155.06944	1.3
156.06490	35.1
163.03828	4.4
164.20697	0.7
173.07985	0.7
177.00610	0.9
234.49780	0.6
237.02776	2.6
294.15439	0.6
316.09460	0.6
335.07095	1.3
335.10934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80968	2.6
55.05497	2.4
56.29000	2.0
58.33727	2.2
59.37562	2.4
60.61625	2.4
65.53135	2.3
67.05470	12.5
79.05434	3.8
81.07018	9.5
92.08675	5.1
93.06992	4.5
95.08553	5.3
105.06963	3.2
218.20500	2.7
316.91080	3.0
335.21783	100.0
335.25790	6.1
350.71948	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	335.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.1
53.03933	0.7
57.07036	0.9
62.83123	0.8
65.03909	5.4
67.05481	4.8
69.03373	0.9
69.07041	100.0
71.15019	0.7
76.55511	0.9
79.05460	1.2
80.04969	0.7
81.07030	7.3
81.07421	0.7
84.72193	0.7
92.04990	6.7
93.05734	1.0
93.07000	1.3
94.06525	4.5
95.04920	2.8
95.08588	1.3
96.92101	0.8
97.06484	16.7
105.07022	1.1
119.03603	1.2
119.08585	0.9
121.05257	0.9
122.05982	9.5
124.07572	1.1
128.06163	0.7
131.08537	0.8
132.40858	0.7
137.05936	1.8
138.05460	4.9
140.07039	4.7
144.08041	3.1
145.08832	4.4
145.09944	0.9
146.09607	5.1
147.06752	1.4
148.03911	4.5
148.35739	0.8
150.05455	57.0
157.08849	3.4
159.10435	1.5
160.07451	1.2
161.08290	4.9
161.20399	0.8
162.09068	2.9
164.03400	1.0
166.04930	37.7
168.06601	1.3
172.07516	2.8
172.11104	7.1
173.08311	2.9
173.40759	0.8
174.09100	1.3
174.12671	7.2
176.03346	10.5
178.04970	1.2
182.09573	1.1
185.08322	3.0
188.06960	0.8
188.10675	1.7
190.08537	1.6
190.12213	3.4
193.60641	0.8
194.04454	4.9
198.07761	1.5
199.20151	0.9
200.10681	7.5
202.12251	6.5
206.49799	0.8
213.10115	1.1
216.10147	5.7
218.11690	19.1
227.11803	0.9
228.10130	17.7
234.11183	1.3
243.11241	1.0
244.09596	1.7
245.12898	1.5
246.11172	15.9
256.09827	1.0
257.09167	0.8
271.10687	4.5
272.09009	3.3
273.12314	1.4
274.10516	1.1
287.10150	9.2
289.11798	7.3
291.13306	1.0
295.91455	0.8
299.10184	4.8
317.11249	17.4
335.12225	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.2
53.56877	1.0
55.01860	2.9
55.05490	2.4
57.03418	7.8
59.04982	1.9
60.21041	1.0
60.47263	1.2
61.02909	11.2
65.03917	7.8
67.05484	25.3
69.03406	31.2
71.04972	31.5
73.02888	5.8
79.33662	1.0
81.03393	67.0
81.07018	1.7
82.04160	12.2
83.04974	1.9
85.02880	63.0
85.06518	9.5
86.03202	2.0
87.04417	5.4
89.05993	8.2
91.05437	5.0
92.09421	2.3
93.38777	1.2
95.04937	52.8
97.02872	21.8
97.06498	8.4
98.03661	9.5
98.97536	2.3
99.04425	6.7
101.33031	1.2
106.53448	1.4
109.02146	1.8
109.02847	35.3
109.06492	1.3
110.06023	1.5
111.04404	2.2
113.05973	72.6
116.98601	2.7
119.04913	5.4
123.04393	14.8
123.05273	1.5
125.05947	2.0
127.03872	14.3
127.07520	5.8
133.02837	2.0
137.05940	27.1
138.05435	53.4
138.06332	9.1
141.05435	47.8
145.04926	5.0
155.06955	14.1
156.06493	21.6
163.03859	5.3
173.08040	100.0
317.11331	3.0
329.02216	1.5
335.07245	2.0
335.10916	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	334.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66307	1.9
55.01845	4.8
55.05491	4.0
56.96331	1.9
56.96551	29.6
57.07055	11.1
57.49321	1.8
58.55725	1.9
67.05487	16.7
67.25401	1.8
69.07045	15.6
69.41097	1.9
71.08606	8.5
72.04489	89.9
74.97553	2.3
77.72772	1.6
78.65604	2.0
79.05463	3.7
81.07025	21.7
83.08582	3.4
85.06454	2.2
87.38244	1.9
87.51794	1.8
90.70171	2.3
91.05444	95.5
91.06019	3.6
92.05786	2.8
92.09275	2.4
93.07028	19.7
95.04932	19.0
95.08562	23.3
97.10125	2.8
99.08044	2.5
105.03328	4.1
105.07005	10.9
107.08566	21.4
109.06460	27.4
109.10119	12.6
110.97559	2.2
114.09135	8.9
117.07023	3.3
119.08524	10.1
121.06466	3.4
121.10111	10.4
123.08141	2.8
128.10663	8.8
128.98555	2.4
131.08543	5.0
133.10065	8.2
134.99553	2.6
135.11620	2.9
145.10030	8.9
146.99591	12.2
147.11667	4.5
149.05914	3.6
149.13248	3.9
151.06447	2.9
154.12183	2.8
159.11601	3.4
165.00702	2.1
165.12700	100.0
173.13118	7.7
182.15337	9.5
191.14232	7.5
212.16544	2.4
220.16946	2.8
236.19955	25.6
260.21924	2.1
281.15805	3.1
289.21475	4.1
316.26196	2.7
334.27246	48.0
335.49823	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0731
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
50.83240	3.2
72.44204	3.3
85.65658	3.8
92.31820	4.0
101.00944	4.3
147.84839	3.6
153.07356	5.5
172.85042	4.0
256.33771	3.9
335.07227	100.0
335.10745	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	334.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47850	0.7
55.01862	0.6
55.42294	0.6
57.03418	1.6
59.74749	0.6
61.02900	5.7
65.72477	0.7
67.14108	0.7
69.03408	9.3
71.47863	0.7
73.02875	1.4
74.57247	0.8
81.03399	3.9
85.02876	41.1
85.15742	0.9
91.05445	17.5
97.02857	11.0
99.04432	1.3
109.02843	3.7
119.04910	11.3
127.03886	5.9
137.05936	100.0
138.49777	0.9
145.04903	4.6
155.06941	6.4
179.07042	1.0
180.08568	1.2
295.85574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.68608	0.5
55.01841	0.9
55.52975	0.5
57.03413	1.3
61.02906	5.2
63.19835	0.6
69.03409	8.0
73.02879	1.3
78.01906	0.6
80.50959	0.5
81.03388	4.5
85.02874	38.3
91.03909	0.9
91.05449	15.8
96.63311	0.6
97.02853	8.6
99.04428	1.3
103.52512	0.6
104.48820	0.6
109.02835	3.5
109.06546	0.8
119.04908	13.1
127.03854	4.5
137.05930	100.0
145.04936	5.6
155.07022	4.3
161.05867	0.8
179.06880	0.7
180.08627	2.9
241.05185	0.7
242.31235	0.7
263.09216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	7.6
55.05485	2.0
57.07056	9.4
59.46802	1.0
67.05477	9.7
69.07041	5.4
71.08611	13.2
72.04490	88.7
79.05451	6.4
81.07026	18.6
83.08571	1.3
85.06499	2.7
88.07581	1.1
89.03835	1.1
89.05983	1.3
90.91946	1.1
91.05451	7.1
93.07007	14.4
95.04933	24.0
95.08573	20.0
97.06474	4.4
99.08062	2.5
100.07568	2.2
105.07005	12.1
107.08567	13.0
109.06480	32.5
109.10110	5.4
114.09138	15.0
117.06960	1.3
119.08554	8.0
121.06451	1.7
121.10112	1.4
123.08057	1.6
128.10666	7.5
131.08499	5.9
133.10101	8.5
135.08037	1.9
140.10669	2.3
142.12238	2.2
145.10081	2.8
149.09563	1.4
163.14784	1.3
165.12694	100.0
168.13791	1.8
173.13205	7.7
175.11197	2.7
175.14684	1.4
177.12639	1.1
179.14294	1.6
182.15314	8.8
191.14259	5.7
194.15346	1.4
212.16374	6.3
220.16882	5.6
236.20009	22.6
271.20508	4.9
289.21564	5.1
316.26208	2.1
327.23132	1.2
334.27325	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	333.1899
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.00278	1.4
53.03929	1.5
55.05488	7.2
59.04975	2.3
65.33257	1.0
67.05482	1.9
68.61433	1.0
69.03413	1.8
69.07048	9.1
71.04963	33.5
73.06535	15.4
76.54913	1.3
78.40624	1.2
79.05473	11.6
81.07027	61.9
85.02875	7.9
91.05454	5.7
92.35062	1.2
93.07013	30.4
95.03267	1.2
95.08570	5.4
97.06488	3.2
100.69651	1.1
101.72465	1.3
105.61298	1.3
107.08568	24.8
109.10111	6.8
133.59459	1.5
135.11652	39.0
135.12686	1.3
137.05952	2.5
148.38033	1.3
153.12692	100.0
167.07080	4.8
176.07176	1.3
211.13646	1.5
328.47263	1.3
358.42511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02887	0.4
64.01563	0.2
66.63064	0.1
69.03399	2.0
69.47637	0.2
75.32191	0.2
83.01287	0.2
85.02898	0.2
89.03851	1.3
97.02851	1.8
109.02910	0.2
116.04919	3.3
127.03857	0.3
134.05934	0.2
137.05948	0.3
144.04355	1.7
162.05444	100.0
163.05873	0.2
190.04912	13.1
214.04758	0.2
256.05878	1.0
316.08044	9.0
333.14993	0.3
334.09064	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	333.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28664	0.4
51.06117	0.4
53.03926	2.7
53.33113	0.4
55.01846	0.6
55.05288	0.4
55.05495	8.1
57.03406	2.6
57.07046	0.7
61.02892	1.3
65.03919	0.6
67.05477	6.7
67.32211	0.4
69.03407	4.4
69.07042	7.0
71.04958	0.8
73.02891	0.5
77.03869	0.6
79.05462	14.9
81.03381	2.5
81.07027	11.3
83.04944	3.1
85.02866	15.2
91.05437	21.7
93.07002	83.4
95.04933	6.2
95.07951	0.7
95.08566	22.1
97.02862	3.8
97.06499	3.8
105.04503	1.2
105.06986	9.7
107.08557	100.0
109.02842	0.7
109.06486	3.9
109.10106	4.1
119.06078	0.8
119.08526	2.1
123.11721	0.7
127.03876	1.0
131.08467	0.6
133.10085	0.9
135.11639	44.0
145.04889	0.8
145.10156	0.7
147.11559	0.6
153.12686	6.6
218.36105	0.5
312.46548	0.5
341.83408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1899
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.53337	1.0
53.03926	2.9
53.30930	1.0
55.01846	5.4
55.05491	2.4
57.03418	10.8
57.07058	17.3
57.10629	1.1
59.04979	11.6
61.02901	11.8
67.05482	9.1
69.03401	39.9
69.07040	14.8
71.04975	9.4
73.02877	7.3
81.03386	15.5
81.07014	7.4
83.04949	1.6
83.08566	1.7
85.02873	100.0
85.06062	1.2
85.06509	10.1
85.10155	1.5
87.04431	3.1
91.03922	5.8
93.06998	7.5
95.08572	52.9
97.02853	31.8
97.06487	5.2
99.04397	6.3
99.08059	14.9
107.08567	15.1
109.02860	10.2
109.06477	4.9
109.10116	16.9
111.08032	8.2
113.09612	33.8
121.02840	5.5
122.03201	2.2
123.11657	1.6
127.03864	16.5
127.11145	24.1
135.11687	12.1
137.13216	2.3
145.04926	11.3
153.05440	6.5
153.12697	56.4
154.05814	2.9
155.14268	7.2
171.13751	31.2
195.50948	1.2
213.14842	2.6
220.55307	1.3
268.68253	1.3
333.19009	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	333.1899
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.56895	1.5
51.00290	1.6
53.03924	7.7
55.01855	4.6
55.05497	29.8
57.03425	14.3
57.07054	22.1
59.04967	4.5
61.02890	10.3
67.05484	13.3
69.03399	27.4
69.07041	42.0
71.04962	44.6
72.08097	2.1
73.02869	3.3
73.06502	7.4
74.05360	1.6
75.09122	1.8
79.05449	29.8
79.93294	1.8
81.03380	9.0
81.07024	71.4
83.04926	3.0
83.08580	11.2
85.02873	75.2
85.06510	21.6
91.05444	22.8
93.07009	75.0
95.04910	9.3
95.08562	52.0
97.02845	20.1
97.06499	39.6
99.04429	2.3
103.03882	2.7
105.06989	21.6
107.04917	3.3
107.08558	72.3
109.02824	3.9
109.06496	3.0
109.10104	17.7
111.08036	7.6
115.03872	2.2
115.05491	1.9
117.06942	7.0
119.08522	17.9
121.06479	2.7
121.10079	2.3
123.08009	2.3
127.03874	10.9
129.06905	3.2
131.08513	8.1
133.10075	3.0
135.07948	2.1
135.10658	3.8
135.11642	63.5
137.05902	4.4
137.13182	2.9
139.03877	2.5
143.08423	3.7
145.04967	3.4
145.10063	8.7
147.07982	7.9
147.11653	2.8
153.12691	100.0
155.94611	1.8
159.07980	3.2
159.11714	2.9
163.11067	2.4
165.12688	10.9
167.06931	3.1
171.13734	9.9
173.09514	3.9
173.13039	2.2
175.07420	2.0
201.12622	2.0
209.99699	2.3
231.13625	2.6
243.13548	2.2
297.16812	4.4
315.18011	10.1
333.18845	2.3
333.28098	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	333.1899
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.64197	3.1
53.03928	3.3
55.01852	7.6
55.05490	19.4
57.03411	15.6
57.06619	2.7
57.07052	17.7
59.04987	3.1
61.02901	14.1
65.10027	2.5
67.05475	14.7
69.03402	31.4
69.07034	23.2
69.09999	3.0
70.48098	2.9
71.04961	44.9
73.02885	5.5
73.06526	6.2
79.05445	24.1
81.03392	6.9
81.07026	71.7
83.08565	4.7
85.02882	89.8
85.06509	17.3
85.26122	2.7
91.05445	13.9
93.06995	40.7
95.04890	4.0
95.08539	24.2
97.02872	27.6
97.06488	16.5
99.04512	3.4
105.06969	13.9
107.08560	43.0
107.83820	3.0
109.02814	5.7
109.06485	5.1
109.10131	22.4
111.08046	4.1
117.06963	3.4
119.08530	7.9
123.11656	7.0
127.03870	13.6
131.08511	6.0
135.07999	4.3
135.11679	46.5
137.13098	3.3
141.12714	28.3
145.10101	6.7
147.08014	4.4
150.59610	3.6
153.12695	100.0
155.14268	3.7
165.12720	7.6
167.07013	3.4
171.13713	29.4
173.94995	4.0
315.18115	4.9
325.80157	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	333.1512
Annotation	1-Dehydro-9-fluoro-11-oxotestololactone
Peak:m/z	Relative Intensity
55.17930	0.4
67.05477	0.5
73.68158	0.4
79.05467	0.5
81.07023	0.6
83.45819	0.4
84.90247	0.4
85.02861	1.0
85.69529	0.4
86.09666	0.5
96.32711	0.5
107.08553	0.6
109.10136	0.4
135.04381	6.2
136.04721	6.9
136.56850	0.5
136.95395	0.5
137.05946	0.7
153.09003	0.7
168.92699	0.4
169.07579	0.6
171.09875	3.0
197.07114	2.1
315.09543	0.9
333.15076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1333
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03922	0.6
55.01835	0.5
55.64672	0.3
57.03419	1.6
59.04972	0.4
61.02906	3.0
65.03909	0.7
67.05479	3.1
69.03408	7.4
69.57031	0.3
71.04969	0.4
73.02874	2.2
79.05467	0.7
81.03393	1.7
81.07024	0.7
81.96155	0.3
85.02881	6.6
85.23630	0.4
87.04427	0.8
91.03905	0.5
93.05754	0.5
96.08109	0.6
97.02866	3.6
104.66461	0.4
106.06515	6.1
108.08085	100.0
109.02877	0.4
123.06762	4.3
124.07547	18.7
127.03861	0.5
134.05977	12.3
136.07533	10.3
150.05450	0.4
150.62541	0.4
152.07022	64.6
154.08620	1.6
170.08043	4.1
175.78987	0.4
228.93335	0.4
314.12213	20.0
332.13284	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	332.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
54.81145	0.2
55.01832	0.4
57.03411	1.9
61.02902	2.4
61.50134	0.2
64.45261	0.2
65.03914	0.3
67.05479	2.3
69.03403	7.2
71.04971	0.4
73.02871	2.4
79.05468	0.9
81.03384	1.6
81.07027	0.5
82.97208	0.2
85.02872	7.6
87.04430	1.7
91.03896	0.4
91.05450	0.4
92.04928	0.4
93.05758	0.5
96.08087	1.0
97.02866	3.2
99.04396	0.5
101.02341	0.3
106.06515	6.3
108.08077	100.0
109.02859	1.5
122.05969	0.3
123.06757	4.4
124.07543	19.4
127.03852	1.1
134.05968	10.7
136.07518	12.0
145.04883	0.3
146.27339	0.2
150.05479	0.2
152.07013	61.3
154.08604	1.5
170.08057	3.7
191.18042	0.2
254.10350	0.2
314.12222	19.3
332.13269	34.3
333.05862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	88.6
63.91451	1.5
64.11205	1.4
84.95980	2.8
98.97541	50.6
104.15385	1.6
105.93297	1.5
112.99139	1.6
116.98573	35.7
124.99049	22.8
127.00623	2.8
131.00128	3.7
134.99614	18.9
141.02164	6.4
143.00121	78.4
145.01671	2.5
149.01201	2.3
151.00606	1.9
152.98555	8.7
153.00648	1.8
157.01700	3.0
159.03256	9.7
161.01157	68.3
167.00154	2.5
169.01659	8.9
170.99580	36.6
177.04340	1.7
179.02235	10.2
185.01146	31.6
186.99112	1.7
187.02675	13.5
189.00655	74.5
194.99608	2.8
203.02208	29.9
205.00124	10.3
205.03757	1.8
207.01646	13.3
212.85109	2.2
213.00647	24.0
221.03171	6.6
223.63509	1.8
231.01677	31.2
249.02716	42.3
267.03699	20.5
273.02783	3.9
285.04895	11.8
291.03726	50.1
309.04807	100.0
314.01425	2.0
327.05960	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	331.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
53.18670	0.4
54.03852	0.5
54.81437	0.6
55.05493	1.0
57.03414	3.7
59.04982	49.7
61.02892	2.4
67.05474	4.9
69.03404	4.6
71.04945	1.1
73.02882	1.2
73.34499	0.5
79.05464	7.1
81.03365	2.5
81.07019	10.8
85.02872	18.3
91.03928	0.8
91.05450	33.5
93.07009	100.0
95.04932	6.9
95.08556	6.2
97.02876	4.9
99.04466	0.6
104.11916	0.5
105.04491	0.8
105.06995	29.1
107.08565	8.7
109.02879	1.0
109.10110	1.3
117.06955	0.6
118.07763	0.9
121.10121	0.7
123.11670	5.2
124.03886	1.2
125.04277	1.2
127.03857	3.5
131.08531	1.5
133.10089	40.1
145.04927	1.5
151.11134	9.0
169.12177	12.4
194.91406	0.6
197.65457	0.8
205.13193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1743
Annotation	Boschniaside
Peak:m/z	Relative Intensity
51.73143	0.8
53.00288	0.9
53.03922	1.0
55.05496	11.0
57.03422	1.9
57.07055	5.0
61.02906	1.1
66.55441	0.9
67.05482	22.2
69.03405	7.6
69.07037	11.0
71.04958	6.7
73.02915	1.0
79.05469	9.3
81.03391	2.5
81.07032	62.7
85.02877	8.4
85.06493	2.3
91.05452	10.3
93.07021	23.5
95.04927	15.1
95.08575	100.0
97.02915	1.3
97.06503	2.0
97.10133	5.7
99.04447	10.7
104.38774	1.2
105.06977	9.1
107.04926	1.9
107.08574	8.9
109.06473	7.0
109.10148	24.1
109.72021	1.1
113.05949	8.3
117.06991	1.4
119.04912	6.1
119.08541	2.3
121.10152	4.8
122.03592	1.7
123.04385	1.3
123.08025	1.6
123.11668	60.4
127.07554	1.9
128.06238	1.3
129.06990	5.3
133.06458	2.0
133.10103	7.4
135.08080	2.0
135.11655	2.8
137.05956	23.5
143.08531	2.3
147.11656	1.5
149.05972	1.8
151.07494	15.5
151.11153	27.4
153.06935	1.6
157.06409	2.6
157.09981	1.3
161.05956	2.6
161.09630	1.9
163.07501	1.6
165.06993	2.7
167.08508	2.8
169.12206	25.7
169.23938	1.2
177.12776	1.9
181.12181	1.3
186.00258	1.2
189.09088	2.3
192.09154	1.4
193.06337	2.1
193.10086	4.6
195.08063	9.0
210.06720	1.6
221.05859	1.3
221.09570	1.7
223.07460	4.3
225.09056	2.4
227.10585	6.8
235.13319	1.7
238.06258	1.6
253.08643	1.9
253.12091	4.7
255.10161	4.4
269.08215	1.2
287.12738	7.5
303.89740	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85450	0.7
52.81261	0.8
53.00281	1.1
55.01836	1.3
55.05490	3.7
57.03402	1.0
60.36422	0.7
62.03572	0.7
67.05453	1.7
69.03391	5.7
71.04951	1.1
79.05439	3.9
81.03395	1.5
81.07020	6.1
83.04944	1.1
85.02852	1.8
91.05444	45.5
93.06988	4.3
94.04138	4.4
95.04916	11.2
95.08538	3.9
103.05419	5.3
104.17410	0.8
105.06992	9.0
107.04905	8.9
107.08540	1.0
108.05707	0.9
109.06493	6.5
111.08044	1.4
115.05401	1.8
116.06212	0.9
117.06934	1.8
119.04900	25.5
121.06501	7.6
122.03608	11.4
123.04344	1.2
123.08014	1.9
123.11665	3.1
124.14952	0.8
127.03873	1.3
128.06168	6.4
129.06947	22.5
131.04906	7.0
131.08498	3.2
133.06413	3.2
135.08005	8.6
136.05142	4.7
137.05928	100.0
141.06882	1.2
143.04855	1.2
144.05603	0.9
145.06409	2.0
146.03610	3.7
146.07191	2.1
147.04350	1.9
148.05164	1.7
149.05934	10.8
151.03860	3.8
151.07494	77.1
151.11122	1.4
152.06114	7.4
153.06879	1.9
157.06445	11.5
158.07111	0.9
161.05930	14.4
161.09532	4.1
163.03886	1.0
163.07468	18.5
165.06934	18.5
165.09079	3.8
166.07739	4.7
167.08479	27.8
168.05608	0.9
169.06470	1.7
169.12109	0.9
171.08006	1.6
174.06706	11.6
175.07506	3.6
177.06947	4.4
177.09027	2.0
178.07722	13.0
179.08476	2.1
181.06435	7.0
181.10068	1.6
182.07214	5.5
189.09039	21.0
191.08508	2.0
191.10406	0.9
192.09241	2.0
193.06422	11.8
193.10065	11.2
194.07216	6.1
195.07994	41.2
196.08781	4.4
197.05865	8.6
197.09613	1.7
202.07750	1.2
203.08578	2.2
205.06406	2.1
206.07217	3.5
207.08133	2.7
207.10106	4.1
209.05899	4.8
209.09486	5.1
210.06686	16.7
211.07446	5.0
212.08215	8.7
213.09131	1.0
219.08029	1.4
220.08867	1.5
221.05930	12.9
221.09503	17.4
223.07442	13.8
224.08141	7.8
225.05405	2.1
225.09010	17.2
226.06177	1.0
227.06955	5.5
227.10559	32.9
231.07896	1.2
235.07558	0.9
237.05386	1.5
237.09027	4.0
238.06143	10.1
238.09781	1.1
239.06944	2.0
239.10457	1.0
240.07710	4.1
241.08525	1.6
241.12041	1.2
249.08966	6.4
251.06833	1.1
252.07782	1.4
253.08485	19.6
253.12123	14.3
255.06822	2.4
255.10062	23.0
267.09979	6.2
269.07962	8.4
269.11865	1.1
270.08701	1.7
272.10336	5.2
281.11545	4.7
285.11133	16.2
287.12653	34.5
298.11694	1.3
313.14215	11.2
331.15436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12556	2.2
67.05450	2.5
68.02244	2.3
69.03405	2.2
69.61983	2.0
70.20505	2.4
75.94498	2.1
79.05453	3.0
81.07037	4.5
85.02895	5.6
91.05450	51.8
94.04168	4.3
95.04920	5.9
103.05453	11.5
105.07003	4.0
107.04934	14.4
109.06496	9.9
109.10095	4.2
117.06983	4.7
119.04922	28.0
121.06491	5.8
122.03603	9.6
123.04406	2.6
128.06200	5.1
129.06969	20.4
131.04884	10.3
135.08014	10.8
136.05113	2.6
137.05945	100.0
149.05951	16.3
151.03871	4.2
151.07500	79.4
152.06218	10.0
154.15170	2.1
157.06480	13.8
161.05948	22.7
161.09554	3.0
163.07481	18.0
165.06952	27.7
165.09036	4.5
166.07777	5.0
167.08481	32.2
169.06482	4.7
169.12097	3.7
174.06711	12.0
175.07500	3.6
175.81094	2.5
178.07710	12.5
181.06398	10.4
182.07103	2.7
189.09042	27.9
191.08488	2.6
192.09344	3.3
193.06421	13.7
193.10068	10.2
194.07246	4.1
195.08018	40.8
196.08800	3.6
197.05898	13.3
209.05916	3.8
209.09555	3.2
210.06750	13.5
211.07405	5.1
212.08185	5.9
221.05876	9.6
221.09502	16.2
223.07518	13.7
224.08260	4.9
225.09050	13.6
227.10590	41.5
237.09149	2.8
238.06274	5.4
240.07745	5.2
249.09050	3.9
252.07713	3.2
253.08415	20.6
253.12192	20.4
255.09969	24.0
267.10165	4.7
269.07947	5.5
272.10315	5.0
281.11581	5.1
285.11115	19.1
287.12650	45.3
313.14346	11.8
334.70609	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	331.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.4
53.06109	1.1
53.52800	1.0
55.01846	4.1
56.96544	1.3
57.03407	1.4
65.03915	1.6
65.40311	0.9
67.05478	1.2
69.03414	1.7
79.05454	6.0
81.03379	1.7
81.07021	8.4
85.02872	4.7
91.05444	50.8
93.06995	1.9
94.04150	3.8
95.04935	12.8
95.08572	2.0
97.02848	1.5
97.06509	1.2
98.97524	1.3
103.05439	9.3
104.06083	1.0
105.07022	8.4
107.04931	15.4
107.08562	2.2
109.02834	4.8
109.06491	8.0
109.10114	1.5
111.86844	1.0
115.05402	2.1
117.06977	2.5
119.04889	29.5
119.08579	1.0
121.06455	11.9
122.03616	12.4
123.04388	17.6
123.07992	1.4
123.11640	2.0
127.03881	2.0
128.06169	6.4
129.06966	20.0
131.04883	12.1
131.08531	1.8
131.13588	1.0
133.02809	4.9
133.06474	4.1
135.04376	4.9
135.08015	8.6
136.05098	4.2
137.02319	12.8
137.05934	100.0
141.81490	1.0
145.06438	6.6
146.03613	2.3
146.07240	1.2
147.04376	7.2
148.05135	1.0
149.05922	10.1
149.09698	1.0
150.06702	2.4
151.03859	18.0
151.07492	81.2
151.11136	6.8
152.06155	8.5
153.06877	3.5
154.07591	1.1
157.06453	12.9
158.07178	1.4
161.05930	27.5
161.09541	4.5
163.03856	2.1
163.07463	21.5
165.05560	2.7
165.06931	19.7
165.09062	5.0
166.07709	4.5
167.08495	30.3
169.04926	6.6
169.06392	3.8
169.12137	7.7
174.06665	9.2
175.07526	4.2
177.06895	4.4
178.07693	11.9
179.03329	10.9
179.08472	1.6
181.06352	8.5
181.10037	1.1
182.07161	7.4
187.07524	2.3
189.09036	24.6
191.08371	2.0
192.09229	4.2
193.06450	12.4
193.08043	1.2
193.08400	0.9
193.10028	11.5
194.07222	5.8
195.07991	41.6
196.08754	4.8
197.05989	8.6
197.09540	4.5
203.08501	2.1
205.06329	1.5
206.07144	1.6
207.08174	1.7
207.10077	5.9
209.05965	4.5
209.09682	3.1
210.06676	16.4
210.10161	1.4
211.07468	4.7
212.08310	8.5
220.08784	1.2
221.06004	10.7
221.09525	16.1
222.06628	1.6
223.07509	15.2
224.08253	5.9
225.05429	2.1
225.09030	16.9
227.07010	3.9
227.10599	32.4
231.07759	1.4
235.07593	1.6
237.05412	1.8
237.09001	2.0
238.06224	8.8
239.06934	4.8
240.07809	5.4
241.08525	5.5
249.08975	4.4
252.07703	2.3
253.08516	17.0
253.12119	15.9
254.09326	1.6
255.06497	2.3
255.10043	23.4
266.09262	1.5
267.10004	9.3
269.08072	7.2
270.08875	1.3
272.10358	4.9
281.11591	2.4
285.11124	14.6
287.12689	35.5
303.08524	5.9
313.14194	10.4
331.15164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85450	0.7
52.81261	0.8
53.00281	1.1
55.01836	1.3
55.05490	3.7
57.03402	1.0
60.36422	0.7
62.03572	0.7
67.05453	1.7
69.03391	5.7
71.04951	1.1
79.05439	3.9
81.03395	1.5
81.07020	6.1
83.04944	1.1
85.02852	1.8
91.05444	45.5
93.06988	4.3
94.04138	4.4
95.04916	11.2
95.08538	3.9
103.05419	5.3
104.17410	0.8
105.06992	9.0
107.04905	8.9
107.08540	1.0
108.05707	0.9
109.06493	6.5
111.08044	1.4
115.05401	1.8
116.06212	0.9
117.06934	1.8
119.04900	25.5
121.06501	7.6
122.03608	11.4
123.04344	1.2
123.08014	1.9
123.11665	3.1
124.14952	0.8
127.03873	1.3
128.06168	6.4
129.06947	22.5
131.04906	7.0
131.08498	3.2
133.06413	3.2
135.08005	8.6
136.05142	4.7
137.05928	100.0
141.06882	1.2
143.04855	1.2
144.05603	0.9
145.06409	2.0
146.03610	3.7
146.07191	2.1
147.04350	1.9
148.05164	1.7
149.05934	10.8
151.03860	3.8
151.07494	77.1
151.11122	1.4
152.06114	7.4
153.06879	1.9
157.06445	11.5
158.07111	0.9
161.05930	14.4
161.09532	4.1
163.03886	1.0
163.07468	18.5
165.06934	18.5
165.09079	3.8
166.07739	4.7
167.08479	27.8
168.05608	0.9
169.06470	1.7
169.12109	0.9
171.08006	1.6
174.06706	11.6
175.07506	3.6
177.06947	4.4
177.09027	2.0
178.07722	13.0
179.08476	2.1
181.06435	7.0
181.10068	1.6
182.07214	5.5
189.09039	21.0
191.08508	2.0
191.10406	0.9
192.09241	2.0
193.06422	11.8
193.10065	11.2
194.07216	6.1
195.07994	41.2
196.08781	4.4
197.05865	8.6
197.09613	1.7
202.07750	1.2
203.08578	2.2
205.06406	2.1
206.07217	3.5
207.08133	2.7
207.10106	4.1
209.05899	4.8
209.09486	5.1
210.06686	16.7
211.07446	5.0
212.08215	8.7
213.09131	1.0
219.08029	1.4
220.08867	1.5
221.05930	12.9
221.09503	17.4
223.07442	13.8
224.08141	7.8
225.05405	2.1
225.09010	17.2
226.06177	1.0
227.06955	5.5
227.10559	32.9
231.07896	1.2
235.07558	0.9
237.05386	1.5
237.09027	4.0
238.06143	10.1
238.09781	1.1
239.06944	2.0
239.10457	1.0
240.07710	4.1
241.08525	1.6
241.12041	1.2
249.08966	6.4
251.06833	1.1
252.07782	1.4
253.08485	19.6
253.12123	14.3
255.06822	2.4
255.10062	23.0
267.09979	6.2
269.07962	8.4
269.11865	1.1
270.08701	1.7
272.10336	5.2
281.11545	4.7
285.11133	16.2
287.12653	34.5
298.11694	1.3
313.14215	11.2
331.15436	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
79.05473	5.0
80.82787	1.2
81.07023	4.4
91.05447	40.8
91.71399	1.1
93.06988	4.9
94.04124	2.4
95.04929	8.9
103.05429	6.8
105.06999	8.4
107.04877	9.1
109.06495	3.0
111.04446	1.6
115.05401	1.3
117.06980	2.7
119.04897	26.7
121.06450	7.7
122.03607	11.1
123.11588	1.2
128.06194	8.4
129.06964	22.1
131.04828	9.4
131.08516	1.4
133.06424	2.4
135.04326	1.7
135.07980	8.0
136.05139	5.7
137.05933	100.0
145.06459	3.1
146.03604	1.7
149.05894	9.3
149.66226	1.2
151.03857	5.4
151.07498	76.0
152.06140	6.4
153.06931	5.5
157.06389	12.6
161.05937	19.6
161.09579	5.7
163.07492	17.0
165.06906	21.3
165.09065	2.0
166.07732	2.5
167.07097	2.7
167.08464	25.5
169.06422	2.8
169.12210	1.5
170.47638	1.2
174.06685	9.1
175.07416	2.9
177.06877	2.0
178.07744	8.9
179.08505	5.3
179.96330	1.3
181.06433	9.3
182.07231	7.7
183.08018	1.5
187.07405	1.8
189.09018	23.6
192.09155	3.8
193.06438	12.5
193.08305	1.1
193.10028	11.5
194.07225	2.9
195.08017	36.2
195.09761	2.6
196.08778	1.7
197.05855	8.5
197.09587	1.4
203.08513	3.0
203.20605	1.1
206.07326	2.0
209.05852	6.0
209.09566	2.0
210.06688	14.2
211.07437	8.3
212.08221	6.8
221.05910	13.3
221.09496	17.4
223.07394	16.6
224.08290	2.9
225.05324	5.0
225.09058	14.8
227.07053	3.6
227.10582	29.4
227.12665	2.0
237.05257	1.4
237.08975	2.1
238.06155	7.7
238.09789	1.6
239.06906	2.2
239.10551	1.5
240.07730	5.3
249.09026	6.3
252.07704	1.8
253.08521	15.4
253.12129	20.7
255.06619	1.4
255.07265	1.7
255.10033	24.7
266.09167	1.7
267.10034	9.3
269.07965	7.7
270.08951	1.4
272.10315	1.9
281.11612	5.6
285.08371	2.3
285.11172	16.0
287.12665	33.7
313.14114	14.7
331.11847	1.4
331.15323	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	331.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
79.05473	5.0
80.82787	1.2
81.07023	4.4
91.05447	40.8
91.71399	1.1
93.06988	4.9
94.04124	2.4
95.04929	8.9
103.05429	6.8
105.06999	8.4
107.04877	9.1
109.06495	3.0
111.04446	1.6
115.05401	1.3
117.06980	2.7
119.04897	26.7
121.06450	7.7
122.03607	11.1
123.11588	1.2
128.06194	8.4
129.06964	22.1
131.04828	9.4
131.08516	1.4
133.06424	2.4
135.04326	1.7
135.07980	8.0
136.05139	5.7
137.05933	100.0
145.06459	3.1
146.03604	1.7
149.05894	9.3
149.66226	1.2
151.03857	5.4
151.07498	76.0
152.06140	6.4
153.06931	5.5
157.06389	12.6
161.05937	19.6
161.09579	5.7
163.07492	17.0
165.06906	21.3
165.09065	2.0
166.07732	2.5
167.07097	2.7
167.08464	25.5
169.06422	2.8
169.12210	1.5
170.47638	1.2
174.06685	9.1
175.07416	2.9
177.06877	2.0
178.07744	8.9
179.08505	5.3
179.96330	1.3
181.06433	9.3
182.07231	7.7
183.08018	1.5
187.07405	1.8
189.09018	23.6
192.09155	3.8
193.06438	12.5
193.08305	1.1
193.10028	11.5
194.07225	2.9
195.08017	36.2
195.09761	2.6
196.08778	1.7
197.05855	8.5
197.09587	1.4
203.08513	3.0
203.20605	1.1
206.07326	2.0
209.05852	6.0
209.09566	2.0
210.06688	14.2
211.07437	8.3
212.08221	6.8
221.05910	13.3
221.09496	17.4
223.07394	16.6
224.08290	2.9
225.05324	5.0
225.09058	14.8
227.07053	3.6
227.10582	29.4
227.12665	2.0
237.05257	1.4
237.08975	2.1
238.06155	7.7
238.09789	1.6
239.06906	2.2
239.10551	1.5
240.07730	5.3
249.09026	6.3
252.07704	1.8
253.08521	15.4
253.12129	20.7
255.06619	1.4
255.07265	1.7
255.10033	24.7
266.09167	1.7
267.10034	9.3
269.07965	7.7
270.08951	1.4
272.10315	1.9
281.11612	5.6
285.08371	2.3
285.11172	16.0
287.12665	33.7
313.14114	14.7
331.11847	1.4
331.15323	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	331.1168
Annotation	Cerasin
Peak:m/z	Relative Intensity
50.06585	0.2
55.01851	0.3
56.06953	0.2
67.01514	0.3
67.01839	6.8
68.99783	1.9
69.00095	0.2
74.94933	0.3
79.01842	0.3
79.05440	1.3
81.03345	0.3
84.98500	0.2
91.05443	0.6
95.04915	0.6
98.68145	0.3
99.04406	0.6
103.05428	2.1
105.03371	0.5
105.06978	2.2
107.04928	0.4
109.06513	0.5
111.04399	4.3
111.16758	0.3
118.04065	0.4
119.04908	2.7
120.05676	1.5
124.05135	0.6
131.04836	0.3
131.59276	0.3
132.05647	3.6
133.02798	1.8
133.06438	1.7
135.07980	0.5
137.05887	1.9
139.03854	0.4
139.07510	2.6
141.05368	0.3
145.62624	0.3
147.04353	0.6
148.05142	11.0
150.06694	0.4
151.07494	3.0
152.01025	0.3
160.05141	2.4
160.09767	0.3
161.05923	0.4
163.07480	23.1
165.05420	1.6
165.09048	0.6
167.03334	100.0
168.03564	0.4
176.04659	2.9
185.04385	10.1
191.06963	53.2
192.07278	0.4
193.04897	6.5
221.78120	0.3
233.08017	0.4
233.57764	0.3
255.06633	0.3
267.06369	0.3
289.10480	0.4
313.10748	0.4
331.11630	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	330.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59058	0.4
53.05270	0.4
54.81610	0.4
55.05498	2.6
56.96516	0.5
57.07058	4.7
60.04506	12.3
67.05482	5.1
67.05790	0.8
69.07037	3.2
70.06564	0.6
71.08603	1.2
74.02412	100.0
81.07018	5.9
83.08596	2.1
85.10178	0.5
85.99912	0.5
87.04454	1.3
88.07585	0.6
91.05475	0.7
92.63823	0.5
93.07009	0.6
95.08569	5.9
105.68116	0.5
109.10114	3.2
119.22795	0.5
123.11661	0.8
180.91135	0.5
211.41106	0.5
257.24609	4.2
268.26108	0.7
284.25775	0.7
295.22549	0.6
330.26227	7.5
330.29810	1.4
330.33420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81033	2.0
54.95151	2.3
55.01855	11.0
55.05492	39.0
56.96541	10.5
57.03416	21.1
57.07051	9.6
58.83572	1.8
59.04987	3.0
60.86296	2.0
65.70427	2.0
67.05482	100.0
68.93233	2.2
69.07039	27.8
70.06558	2.8
71.04964	5.5
71.08620	3.6
73.54242	2.0
74.06040	13.9
79.05461	32.0
81.03413	5.0
81.07024	68.2
83.04942	15.9
83.08591	18.8
84.93053	2.2
85.06512	2.7
87.04418	16.0
88.07577	3.3
91.05444	22.0
93.07009	43.7
95.04914	10.9
95.08561	28.1
97.06497	4.4
105.06992	21.0
107.08553	19.3
109.10121	67.0
111.08059	3.6
117.06979	3.0
119.08535	16.9
121.10083	12.0
123.08046	2.4
123.11676	5.4
125.09568	2.6
126.83858	2.4
131.08524	3.0
133.10098	5.4
135.11652	5.5
137.09572	2.0
139.11163	4.2
145.10085	2.9
147.11595	8.5
149.13274	3.4
155.10635	3.0
161.13206	3.9
173.11676	62.2
173.13107	4.5
175.14853	2.2
178.18633	2.8
193.12267	2.8
266.34009	2.3
277.21530	14.4
295.22556	11.3
296.59686	2.6
330.29889	13.7
330.33624	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	330.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.6
53.03921	1.8
55.01860	11.3
55.05498	46.7
56.05011	2.0
56.96538	3.0
57.03417	14.4
57.07057	18.6
58.06557	2.0
59.04969	2.6
60.89644	1.2
65.03902	1.1
67.05482	100.0
69.03396	1.8
69.07050	41.6
69.26513	1.4
70.06557	2.7
71.04961	5.5
71.08606	9.7
72.08117	7.3
74.06053	22.4
78.64566	1.3
79.05460	35.3
81.03374	7.5
81.07027	72.8
83.04961	18.3
83.08591	20.1
84.04510	1.5
85.06515	1.9
87.04443	8.7
88.07606	6.3
91.05453	28.1
93.07006	46.0
94.07082	1.5
94.15168	1.4
95.04916	13.2
95.08570	46.3
97.06505	9.8
97.10122	10.8
101.06003	1.8
105.07001	20.3
107.04914	1.6
107.08570	18.4
109.06464	5.9
109.10117	41.6
111.08064	7.1
117.06962	6.7
119.08531	15.3
121.10114	16.2
123.08041	2.2
123.11663	6.7
125.09579	6.0
131.08521	5.8
133.10071	8.8
135.11638	7.5
136.40050	1.5
137.09596	3.0
139.11153	8.9
141.01849	1.5
145.10002	2.5
147.11644	6.8
149.13257	5.5
155.10593	2.9
156.17426	1.8
157.10100	2.3
161.13187	5.2
165.12657	2.2
170.19160	2.4
171.11656	2.7
173.11684	24.7
173.13104	2.5
181.60310	1.4
189.11116	1.6
193.12175	7.2
202.17679	1.4
207.13782	1.6
210.96208	1.4
211.13202	8.4
241.19348	2.4
259.20447	2.5
268.29904	13.3
277.21561	28.4
295.22519	19.4
328.12167	1.5
330.10376	2.0
330.29865	20.3
330.33560	27.2
354.45578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01850	9.7
55.05246	2.2
55.05495	48.3
56.05013	1.5
56.91791	1.3
56.96543	3.2
57.03424	17.8
57.07053	13.5
58.06581	2.1
65.03922	6.0
67.05482	100.0
69.03378	3.0
69.07043	40.9
70.06577	2.9
71.04959	9.4
71.08590	7.4
72.08120	6.8
74.06050	32.8
79.05010	2.0
79.05456	43.7
81.03392	9.3
81.07027	88.7
83.04934	16.3
83.08588	23.7
85.06498	2.7
85.41441	1.5
87.04434	10.0
88.07587	3.3
91.05447	30.3
92.09407	3.3
93.06428	2.9
93.07009	51.0
95.04913	12.6
95.08572	44.4
97.06477	9.7
97.10147	12.3
98.98434	1.4
99.08068	1.9
101.05994	2.3
105.06979	18.4
107.08552	24.9
109.06468	3.1
109.10112	47.2
111.08045	10.6
117.06991	2.8
119.08552	19.0
121.10098	13.1
123.08054	5.3
123.11625	8.8
125.09571	6.7
127.68452	1.5
129.06964	2.5
131.08502	3.6
133.10089	7.6
135.08047	2.0
135.11649	9.2
137.09590	9.2
139.11150	8.7
143.08505	2.5
147.11638	8.6
149.09595	2.3
149.13176	2.4
153.12709	2.1
155.10585	8.5
156.17424	3.1
157.10158	1.9
161.13121	3.0
163.82777	1.4
165.12631	1.9
165.18166	1.5
171.11597	1.9
173.11684	28.2
173.13086	2.8
189.11104	1.6
193.12126	7.7
207.13664	2.1
211.13194	8.0
231.21230	1.6
249.21976	1.8
255.70879	1.4
259.20474	2.2
268.29987	11.4
277.21570	29.7
295.22647	19.2
330.29813	24.3
330.33563	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	329.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.7
53.03920	1.8
54.88106	1.0
55.01834	1.0
55.05247	1.3
55.05495	30.0
57.06834	1.2
57.07060	18.3
65.03896	1.2
67.05478	29.6
69.03383	1.4
69.07037	61.9
71.04971	2.9
71.08590	6.6
72.85757	1.3
79.05463	19.5
79.11091	1.1
81.07023	100.0
83.08586	30.1
84.87496	1.2
85.06507	7.1
85.10161	1.1
90.91868	1.2
91.05473	4.5
93.07007	31.2
95.08566	82.7
97.06526	1.8
97.10128	18.2
99.08049	5.5
105.06967	5.0
107.08559	30.2
109.10120	50.1
111.08017	5.9
111.11671	10.8
119.08591	1.7
121.10085	19.7
123.11665	28.1
125.13232	2.2
135.11685	9.0
137.13177	11.7
149.13211	21.3
151.14742	1.4
153.12798	1.4
163.14746	7.7
165.16310	1.6
167.14221	2.1
180.47993	1.1
193.15572	1.1
275.27280	5.3
293.28329	12.0
329.09796	1.9
349.57043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20217	2.5
55.05489	25.4
56.96544	5.0
57.07050	4.9
58.09959	3.3
60.11283	3.0
61.52235	2.8
67.05196	3.7
67.05482	50.8
68.73331	3.4
69.07037	31.9
79.05460	42.5
80.05788	5.4
80.11095	3.1
81.07023	93.8
83.08585	12.6
85.06476	3.3
90.49740	3.8
91.05437	36.9
92.05773	3.6
93.07003	80.6
94.07353	4.5
95.04943	4.6
95.08565	92.2
105.06984	50.1
106.07292	4.0
107.07895	5.4
107.08566	100.0
109.10130	40.6
117.06934	7.3
119.08530	64.9
121.10081	51.4
123.11652	22.4
131.08528	18.8
133.10063	38.3
135.11635	43.7
137.13303	4.6
143.08463	5.5
145.10052	31.6
147.11658	27.2
148.12038	3.7
149.13255	27.5
149.99542	3.6
157.10062	5.3
159.11635	19.5
161.13194	38.9
163.14729	25.3
171.11652	5.0
173.13177	23.7
175.14769	42.3
177.16325	13.8
187.14781	26.9
189.16379	42.6
201.16338	12.8
203.17914	7.1
215.17879	19.4
241.19521	13.5
258.06750	3.7
311.27182	59.4
329.28275	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2678
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.00287	1.5
53.03935	1.5
54.20755	1.2
55.01842	1.8
55.05497	86.1
55.95069	1.1
57.03163	1.3
57.03419	38.3
57.06788	2.5
57.07058	38.9
59.50980	1.5
67.05484	25.3
67.12582	1.3
69.07044	98.1
69.37160	1.6
71.04958	1.3
71.08601	18.9
79.05463	17.6
81.07029	36.5
83.04943	3.4
83.08591	62.8
85.10143	7.9
93.07000	20.5
95.08577	29.7
97.06516	13.8
97.10129	30.4
98.98401	1.5
106.30687	1.6
107.08576	16.5
109.10141	10.1
111.08057	2.9
111.11665	2.7
121.10084	13.3
123.11623	2.5
125.09621	6.8
135.11621	12.3
137.13220	1.6
139.11153	8.3
141.26242	1.5
149.13193	5.5
153.12692	2.1
157.12213	1.6
163.14755	2.8
167.26996	1.7
189.84084	1.4
219.21043	7.7
234.72049	1.3
237.22038	9.1
241.29704	1.5
255.22989	1.6
256.07339	1.6
280.28290	1.4
311.25708	11.6
313.06958	7.3
321.31082	1.7
329.10046	9.3
329.26746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06519	0.8
51.25621	0.7
53.03920	4.3
55.01854	1.4
55.05494	6.6
57.03415	7.5
59.04984	1.7
59.93528	0.9
61.02891	5.0
67.05478	4.1
69.03403	9.1
69.07057	1.7
71.04981	2.2
75.04445	5.1
79.05468	16.8
81.03399	5.1
81.07022	18.8
83.04973	1.4
85.02873	29.4
87.04433	5.1
88.20638	0.9
91.05447	19.1
93.07012	97.7
95.04932	11.1
95.08557	9.6
97.02855	9.2
97.06506	2.4
105.06995	19.8
106.07798	1.2
107.04942	2.3
107.08561	7.9
109.02853	2.2
109.06469	1.6
111.04408	0.9
111.08049	11.8
119.08543	4.1
121.06461	2.1
121.10103	100.0
123.08015	4.0
123.11663	2.4
125.05965	4.1
127.03864	2.3
131.08530	5.2
133.07622	1.1
137.05989	1.4
139.11125	10.2
145.04895	1.1
146.73283	0.9
149.09604	6.3
167.10664	9.7
179.10641	1.3
300.06622	1.1
329.06543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1011
Annotation	Cudratricusxanthone L
Peak:m/z	Relative Intensity
55.05474	0.3
55.70155	0.2
56.62877	0.2
56.96532	0.3
67.05473	0.4
69.07025	0.5
74.02428	2.5
75.48898	0.2
76.55505	0.2
77.76276	0.2
81.06998	0.4
84.75278	0.3
93.06991	0.4
94.92464	0.3
95.08552	0.6
97.10696	0.3
98.98413	1.2
108.02035	0.3
109.10065	0.3
114.77547	0.3
116.88011	0.3
124.01505	0.4
167.03389	1.4
177.45311	0.3
225.05440	0.6
242.05591	0.5
256.07199	7.6
267.06424	1.1
268.07147	4.8
269.08044	0.5
270.05161	2.8
271.05911	1.3
283.05905	1.5
284.06509	1.2
285.07449	24.0
286.08182	1.4
296.06628	1.1
297.07413	0.6
298.04550	2.0
299.05334	4.1
300.06088	8.0
311.05283	2.3
313.06940	95.6
314.07724	12.0
327.92734	0.4
329.10062	100.0
330.10605	0.4
349.14331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1011
Annotation	3-Hydroxy-5,7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
50.18140	0.5
53.52039	0.5
58.74724	0.5
60.36805	0.5
62.47662	0.6
71.19529	0.6
74.02409	5.5
74.02747	0.5
92.63126	0.5
108.05724	0.8
119.04925	1.0
121.06455	6.7
124.01534	1.2
132.05658	2.9
133.06464	0.8
134.07219	13.2
134.08176	0.9
135.04370	2.8
139.00201	0.7
152.00999	0.9
152.04128	0.6
166.99725	0.7
181.01244	1.2
198.01509	2.3
242.05663	3.0
253.04774	0.7
255.06342	0.7
256.07269	0.8
268.07111	5.2
270.05124	6.8
271.05908	3.9
283.05905	0.7
284.06760	3.6
285.07471	45.6
286.07990	0.7
296.06729	2.6
297.07498	13.8
298.04684	2.7
299.05377	2.2
300.06274	6.7
301.06955	0.7
311.05353	1.2
313.06946	58.3
314.07718	41.1
329.10077	100.0
330.10294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1012
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
60.03797	0.3
60.87383	0.3
61.87474	0.3
61.97506	0.3
63.60677	0.3
92.09387	0.6
94.33254	0.4
105.12273	0.4
105.58023	0.4
108.02059	17.6
119.02674	0.4
132.05649	11.8
133.05440	0.7
133.06448	20.8
135.04355	10.9
136.01508	8.3
152.00963	1.4
153.06917	0.6
154.02563	13.7
169.06410	3.3
170.02016	1.4
181.06396	1.4
183.07896	0.5
184.08730	2.3
187.28714	0.4
197.05928	3.1
211.07486	2.2
212.08310	0.8
225.05428	1.9
239.06932	0.4
240.07716	11.1
253.04846	0.7
266.05621	0.5
268.07193	83.0
269.07620	0.6
270.05115	0.8
271.05911	2.4
284.06665	1.3
285.07391	3.8
286.08051	0.8
296.06674	60.0
297.07025	0.7
299.05252	2.0
313.07001	4.6
314.07712	16.6
329.10071	100.0
330.10464	0.4
335.91953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1005
Annotation	3-Hydroxy-5,7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05488	1.1
57.07057	0.9
61.76225	0.4
66.61156	0.4
67.05480	1.2
69.07049	1.0
76.60269	0.5
81.07019	3.1
83.08549	0.8
91.05454	0.7
93.06999	0.7
95.08567	3.7
108.02088	0.6
108.05698	0.8
109.10127	2.1
119.04923	0.9
121.06486	6.4
123.11653	0.7
124.01529	1.1
132.05646	3.7
133.06415	3.7
134.07222	14.3
135.04364	1.3
139.00208	0.9
149.38626	0.5
151.00211	0.8
152.01015	1.3
169.01204	0.6
173.40118	0.5
179.83745	0.6
181.01189	1.1
186.75777	0.7
198.01541	2.7
242.05693	2.9
253.04669	0.5
256.07214	1.1
265.04712	0.7
267.06433	0.6
268.07275	4.3
269.08127	0.6
270.05106	5.6
271.05911	3.1
283.05881	0.7
284.06491	3.7
285.07462	51.6
286.08243	2.9
296.06662	2.4
297.07486	11.7
297.93338	0.5
298.04651	2.5
299.05411	3.0
300.06174	8.4
311.05310	2.5
313.06964	71.4
314.07742	42.0
314.11414	1.0
329.10086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0633
Annotation	dithiogliotoxin
Peak:m/z	Relative Intensity
53.03914	1.3
54.81039	1.3
65.03899	1.4
67.34448	1.0
69.03394	1.3
72.08107	1.4
79.05457	1.3
81.03377	2.6
81.07009	1.9
85.02866	4.7
93.06980	4.6
95.08562	2.6
96.96127	1.2
103.05431	8.6
107.08524	1.3
109.02826	1.9
109.10130	1.4
119.08493	1.3
121.02766	2.8
121.10086	1.8
131.04875	19.9
132.05209	7.1
135.04396	1.4
137.02299	4.6
138.03047	1.2
149.02309	6.5
149.05910	5.7
150.06279	1.6
161.02312	5.1
165.01759	1.3
167.03278	12.5
177.01723	2.3
195.02829	5.8
227.07059	1.3
245.04218	1.2
252.01868	1.1
255.06290	4.0
259.30957	1.2
271.05862	1.3
272.06693	4.3
283.05862	17.1
286.04654	6.9
299.05350	19.0
300.06213	22.7
311.05347	11.2
329.06421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1007
Annotation	3-Hydroxy-5,7,8-trimethoxyflavone
Peak:m/z	Relative Intensity
51.18074	0.4
55.05483	0.9
69.07027	1.0
71.08576	0.4
81.07014	2.9
85.93290	0.5
88.41949	0.4
88.43527	0.4
91.05404	0.6
93.07018	0.8
95.08561	2.3
97.10141	0.5
108.05707	0.7
109.10100	0.9
110.20477	0.5
110.71652	0.4
119.04908	0.7
121.06466	5.2
124.01488	0.6
131.01335	0.5
132.05670	3.0
133.06444	2.5
134.07231	12.0
135.04378	2.8
139.00200	1.0
144.71396	0.5
149.13225	0.5
152.01018	2.5
153.01675	0.6
159.04311	0.6
161.13309	0.5
179.03503	0.5
181.01294	1.1
189.01698	0.5
196.92963	0.5
198.01619	1.6
225.05388	0.5
242.05659	3.7
253.04874	0.6
256.07352	0.7
268.07150	4.7
270.05261	6.5
271.05957	4.1
283.05936	0.7
284.06586	4.6
285.07477	50.0
286.08163	2.2
295.05975	1.1
296.06628	2.2
297.07507	12.3
298.04639	2.2
298.07971	0.6
299.05280	3.4
300.06229	7.4
301.07040	0.7
311.05338	2.2
313.06952	63.7
314.07736	39.9
314.11447	0.8
329.10077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.0
53.03913	4.0
54.80666	1.6
55.01860	12.7
55.05246	3.1
55.05496	81.6
57.03404	2.4
63.11721	1.5
67.05486	41.5
69.03397	8.6
69.06680	3.5
69.07046	96.8
73.16611	1.9
73.58994	1.7
79.05460	42.6
81.03378	3.3
81.07024	36.3
83.04954	9.7
83.08589	54.4
85.06498	2.8
91.05457	25.4
92.09289	3.8
93.07001	28.8
95.04967	2.0
95.08562	20.2
97.06477	7.5
97.10130	100.0
98.97531	2.0
98.98469	1.9
105.06987	28.2
107.04897	3.9
107.08559	86.4
109.06494	7.3
109.10113	7.7
111.08020	2.3
116.61095	1.9
117.07026	2.6
119.08522	15.9
121.10081	6.8
124.97099	1.9
125.09589	67.0
131.08536	9.3
133.06450	1.9
133.10072	15.5
135.08031	7.0
135.11656	7.7
143.08572	2.3
145.06395	2.4
145.10092	12.5
147.11671	9.2
149.09607	21.6
151.11226	1.8
159.11618	3.6
161.13165	3.3
163.11119	4.4
171.10098	2.3
179.14149	2.0
189.11165	46.8
189.12772	2.4
239.17976	2.0
257.18878	6.8
275.19946	82.5
293.20972	15.3
316.70993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75503	1.1
53.03932	6.3
55.01842	5.4
55.05241	2.1
55.05494	45.8
56.05003	1.1
57.03418	10.3
57.07066	1.1
59.04999	1.9
63.77516	1.1
65.03910	2.3
67.05479	100.0
69.03396	5.8
69.07040	27.4
71.04961	9.5
79.05460	84.2
81.03381	15.6
81.07025	63.7
83.04950	10.0
83.08590	16.7
83.54716	1.1
85.06501	2.5
91.05442	67.1
93.07005	69.7
95.04925	29.0
95.08567	48.3
97.06477	5.5
97.10133	9.1
98.98438	18.4
99.07973	1.2
101.06015	1.3
105.06992	50.6
107.04865	2.5
107.08559	39.6
109.06489	5.1
109.10117	49.1
111.08042	7.2
117.06977	14.0
119.08536	37.3
121.06474	2.5
121.10101	24.2
123.08043	3.1
123.11661	2.3
125.09583	6.3
129.06966	7.2
131.08514	16.1
133.10081	24.0
135.08020	1.7
135.11652	5.6
137.09579	13.6
139.10933	1.4
141.06993	1.3
143.08563	2.4
145.10123	13.5
147.11624	9.5
149.09605	2.1
149.13255	1.6
155.10614	2.0
157.10103	2.4
159.11642	5.8
161.13193	2.2
163.11118	1.9
165.12741	1.4
171.11516	2.4
173.11652	18.0
173.13208	5.0
183.11670	1.5
189.11125	2.8
193.12190	2.1
211.13277	2.3
218.51802	1.5
223.13304	2.8
239.17993	1.9
257.18958	1.7
274.78094	1.2
275.19907	15.2
293.21057	3.0
323.70352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01860	7.0
56.96547	6.9
57.02983	0.6
57.03419	10.1
59.04967	0.7
61.02904	18.6
62.34536	0.7
69.03403	22.1
71.01317	0.7
71.04943	3.9
73.02886	10.7
73.06511	0.9
73.81995	0.8
74.66104	0.5
81.03395	6.8
85.02874	100.0
87.04426	1.2
91.03925	1.3
97.02854	15.9
98.97546	3.7
99.04404	3.1
101.02339	14.2
103.03905	28.0
103.07533	3.5
109.02850	5.6
113.02332	5.9
113.05959	1.2
116.98537	1.6
117.05428	4.0
119.01888	0.9
127.03880	8.5
129.03062	1.2
131.03302	1.3
138.68199	0.6
145.04906	11.0
149.04405	82.9
149.08026	1.7
154.94153	1.6
158.99547	0.7
161.01054	1.0
163.05928	1.3
172.95135	3.7
177.00595	0.9
196.25734	0.8
197.43344	0.7
221.01292	1.4
248.99118	1.2
267.00229	1.4
308.01904	1.1
329.49585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50900	0.3
53.79252	0.3
57.03413	2.9
59.04980	41.7
61.02894	1.7
65.33799	0.3
68.06974	0.4
69.03402	2.9
73.06525	100.0
74.87317	0.4
81.03390	0.6
85.02871	11.4
91.03922	0.6
91.71548	0.4
92.08696	0.5
94.98341	0.4
97.02878	2.6
99.07352	0.5
99.08003	0.5
109.02809	0.5
117.09090	5.4
127.03872	0.7
131.04874	0.8
131.10635	5.9
146.71544	0.4
149.05954	0.6
149.11685	29.3
163.10400	0.5
195.99248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.01858	6.7
55.05484	1.3
55.88455	0.5
56.11714	0.6
56.96545	14.3
57.03418	13.9
57.07042	2.6
58.05671	0.5
58.15013	0.5
59.04964	3.4
59.29298	0.5
61.02603	1.0
61.02903	22.6
61.21822	0.6
64.42252	0.6
67.05476	9.6
69.03030	1.2
69.03400	31.0
70.06558	0.7
71.01310	1.1
71.04962	10.3
72.08106	3.2
73.02885	13.1
73.06529	1.2
75.04425	0.6
81.03379	8.4
83.00744	0.9
83.01269	0.9
83.04938	3.8
84.04469	0.7
84.95982	1.2
85.02872	100.0
85.06512	19.3
86.03249	0.7
87.04438	4.6
90.05524	1.1
91.03917	3.0
92.01274	1.1
92.88227	0.7
93.03349	0.6
95.01286	1.1
95.04920	11.7
97.02851	19.5
98.01266	1.2
98.39191	0.6
98.97535	7.8
98.98402	1.0
99.04412	12.5
101.02337	9.8
103.03204	1.1
103.03896	24.4
103.07538	21.5
107.01753	1.0
109.02839	5.1
110.01241	2.2
111.02003	3.4
111.04393	2.7
113.02324	14.3
113.05968	25.9
114.02583	0.7
116.01241	1.1
116.98593	6.7
117.05447	15.4
118.08624	1.1
119.01795	3.5
120.00667	1.1
120.02531	4.4
121.02793	0.6
125.01752	2.6
127.03873	13.7
127.25304	0.6
128.02348	0.6
129.03056	8.4
129.05411	1.0
129.53221	0.9
131.00182	0.8
131.03395	1.1
131.07001	8.1
131.08937	0.6
133.01503	0.9
134.02255	3.4
134.99585	2.3
138.03546	1.0
139.03889	1.0
143.00067	1.1
143.01840	1.2
145.03511	0.6
145.03766	0.7
145.04921	10.8
146.99554	1.4
147.04216	1.1
149.04404	67.7
149.08028	15.1
154.94112	2.4
156.97400	3.7
157.03461	0.8
158.99602	2.6
159.03131	0.8
160.97530	0.7
161.01105	1.2
161.02847	3.0
162.03101	0.8
163.03922	0.8
163.05949	1.4
167.05388	0.8
172.95193	6.9
173.02885	3.5
174.98500	4.8
175.98625	1.1
177.00630	1.3
178.98569	0.7
179.02115	1.0
180.97372	1.0
185.01180	0.8
185.02803	1.4
186.99100	2.2
187.02895	0.7
189.00609	1.0
189.02209	0.8
190.96208	3.9
198.98471	11.4
199.98607	3.8
201.00038	1.0
202.98582	1.0
203.02121	1.5
203.03816	0.8
205.00175	1.3
213.02400	0.9
216.99434	5.8
221.01260	2.5
221.03134	1.0
223.01178	0.9
226.97968	2.8
230.01773	2.9
230.03706	0.7
230.98021	2.4
231.01494	0.8
239.04285	2.5
248.99097	5.6
249.91386	0.6
251.05368	3.0
267.00085	4.0
287.00024	0.9
308.01862	1.2
317.02548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1064
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
54.80671	0.3
65.03914	0.7
72.14832	0.3
83.08589	0.8
85.02891	0.4
91.05454	10.9
95.04906	0.6
104.42426	0.3
119.04905	33.6
123.04385	1.2
147.04370	100.0
165.05417	21.6
173.35802	0.3
253.26439	0.3
327.18433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75629	3.4
55.05480	3.8
57.07047	4.2
60.32404	2.9
61.26328	3.5
65.70973	3.1
69.07057	3.9
80.50671	3.6
80.69953	3.7
81.07012	7.1
84.30254	3.5
93.07042	5.7
95.08566	6.3
105.07027	4.5
109.10152	4.1
172.89120	4.4
183.50009	3.5
327.22739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01859	5.4
55.05499	24.0
57.03418	3.2
57.07053	6.0
65.03938	4.1
67.05485	55.1
69.07039	18.5
71.04970	3.2
79.05469	38.7
81.07034	40.2
83.08595	4.5
85.06470	3.6
91.05445	70.6
92.09302	5.7
93.07008	100.0
95.04935	93.9
95.08569	81.8
96.43434	2.6
97.06474	21.7
100.48997	3.2
103.05417	3.5
103.46138	2.6
105.07000	87.8
107.08558	48.4
109.06493	12.4
109.10113	23.7
115.05442	5.2
117.06950	31.8
118.52107	3.1
119.08549	74.6
121.06461	23.0
121.10096	37.4
123.08027	15.2
123.11660	6.4
128.06206	6.6
129.06970	19.2
130.07732	11.9
131.08534	45.4
133.10094	54.2
135.08020	11.2
135.11633	4.6
137.09555	2.6
137.68384	2.4
141.06911	4.8
142.07727	23.1
143.08559	28.0
143.09474	2.8
144.09319	12.1
145.10085	50.8
147.11667	16.1
152.38158	2.8
152.61111	3.1
155.08516	13.2
156.09351	11.8
157.10046	30.7
158.10864	6.0
159.08049	3.8
159.11624	37.1
161.09604	14.1
161.13182	5.6
162.76454	2.7
167.08514	4.2
168.09267	5.4
169.10074	12.0
170.10847	5.3
171.11690	19.1
173.09579	3.8
173.13197	14.1
175.14774	13.8
179.08546	3.3
181.10092	3.6
182.10867	4.4
183.11589	3.9
183.63095	3.3
184.12419	2.9
185.13177	12.0
186.69257	2.7
187.11147	3.3
187.14757	12.7
195.11691	4.1
197.13159	5.9
199.14786	5.7
209.13148	4.7
211.14754	5.0
213.16418	3.4
239.17839	2.8
327.23056	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	327.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88919	1.4
53.03928	11.1
55.01850	4.1
55.05502	24.9
57.03417	7.3
57.07055	10.4
59.04988	1.6
64.32767	1.5
65.03914	2.1
67.05156	2.8
67.05481	56.5
69.03416	2.9
69.07036	18.6
71.04946	1.9
77.31479	1.6
79.05463	39.7
81.03362	4.2
81.07024	47.4
83.04951	2.3
83.08586	3.6
85.06514	2.8
91.05444	68.0
93.07008	100.0
95.04935	85.5
95.08565	63.0
96.16837	1.7
97.06490	17.3
103.05433	3.7
105.04523	2.3
105.06998	95.8
106.85433	1.8
107.08562	48.1
109.06501	15.3
109.10137	23.7
115.05406	10.5
116.06208	3.4
117.06988	28.8
119.08542	74.4
121.06474	19.2
121.10098	47.9
123.08040	8.6
123.11637	3.9
128.06194	11.3
129.06981	15.5
130.07726	8.6
131.08519	43.4
133.03816	1.8
133.06487	4.3
133.10091	51.4
134.10797	2.2
135.08017	15.0
135.11707	12.8
137.09560	2.7
141.06956	7.8
142.07735	24.8
143.08514	33.2
144.09293	14.9
145.06523	3.3
145.10089	56.3
147.07878	2.8
147.11659	14.8
149.13255	3.3
154.07767	2.1
155.08545	11.0
156.09299	10.4
157.10071	32.5
158.07150	1.8
158.10861	10.4
159.08005	4.0
159.11641	34.8
161.09596	10.7
161.13200	7.3
165.09026	2.2
167.08533	2.6
168.09273	3.6
169.10062	17.3
170.10802	3.4
171.11621	17.6
172.12473	2.6
173.09627	2.1
173.13214	13.7
175.14839	15.8
179.08539	8.0
181.10010	7.9
182.10951	6.1
183.11630	10.1
185.13214	11.8
187.11148	11.0
187.14745	12.4
189.16386	2.2
193.10063	3.5
194.10713	2.0
195.11632	8.3
197.13269	3.7
199.14790	10.1
207.11682	2.1
209.13182	3.9
211.14792	6.0
213.16267	2.0
215.14357	3.1
217.15794	2.2
225.16313	3.1
235.14832	3.5
309.22131	2.3
327.23087	8.3
342.69443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.8
55.01850	4.5
55.05241	1.6
55.05494	33.0
56.60407	0.7
57.03414	1.2
57.07055	13.7
59.04980	5.1
60.72232	0.8
67.05479	39.8
69.03390	0.9
69.07041	63.3
71.04963	17.0
71.08593	3.7
73.06532	1.1
79.05460	15.4
81.07024	82.0
83.04950	0.9
83.08084	0.9
83.08584	28.8
85.06508	4.5
89.05994	5.3
91.05461	7.5
93.07011	47.0
95.04910	3.3
95.08569	100.0
97.06505	6.3
97.10130	9.8
99.08058	1.3
105.06991	13.6
107.08555	38.6
109.06476	1.9
109.10120	36.5
109.10873	1.4
111.08042	33.4
111.11694	5.6
119.08529	9.6
121.10113	24.0
123.11658	21.5
125.09599	2.1
125.13183	1.1
133.10081	5.4
135.11606	9.2
137.05933	1.7
137.13206	8.9
147.11586	7.1
149.13217	16.0
151.14714	1.5
153.12695	1.1
161.13208	5.2
163.14781	4.4
165.16327	3.7
167.14282	1.6
172.82234	0.9
175.14806	1.2
177.16333	3.5
187.25471	0.9
189.16245	1.1
191.17885	1.7
208.92607	0.9
217.19444	3.4
228.45047	0.9
261.25571	5.2
273.25589	8.2
279.26657	4.6
281.46448	1.1
291.26706	15.0
309.27747	10.0
325.20615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	21.2
55.05497	22.0
57.07055	5.4
59.04988	2.0
67.05479	72.6
69.03408	3.6
69.07044	30.6
71.04992	17.9
71.08592	4.3
79.05460	29.8
81.03362	2.6
81.07025	72.1
83.04961	17.5
83.08588	5.5
85.02926	2.4
85.06518	12.6
91.05447	42.6
92.22669	2.2
93.07002	32.9
95.04948	9.9
95.08583	17.4
97.06491	3.1
97.10134	2.1
98.98442	2.5
99.08060	4.2
105.06998	59.1
107.04939	2.5
107.08557	64.4
109.06503	17.4
109.10123	100.0
109.10876	3.7
110.06831	3.4
110.74619	2.1
113.05984	2.4
117.06969	3.4
119.08537	9.4
121.06499	3.9
121.10117	3.2
123.11642	15.2
127.07532	2.4
131.08479	8.1
133.09073	3.4
133.10088	89.0
133.11066	4.3
135.07996	2.5
143.08496	2.7
151.11148	44.3
165.12637	4.9
165.70663	2.0
166.12976	11.6
166.97429	2.2
169.12186	14.9
215.12677	3.2
222.73349	2.3
262.22318	3.4
273.18454	2.8
290.21765	10.7
291.19577	10.5
292.90729	2.7
308.22906	23.8
344.52896	2.2
344.67328	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53169	1.4
53.03933	3.5
54.36136	1.7
55.01856	3.6
55.05474	1.9
57.03403	9.0
59.04985	29.5
61.02895	10.0
66.19428	1.3
67.05458	1.5
69.03403	33.7
71.04966	7.5
73.02887	9.0
79.05418	1.6
81.03388	22.9
84.37840	1.6
85.02877	100.0
86.67180	1.5
87.04437	34.4
91.03913	3.7
97.02851	27.1
99.04472	5.2
101.05980	8.9
109.02852	11.5
115.03894	80.8
127.03883	34.3
127.04737	3.0
129.05432	48.2
133.04941	17.0
135.04393	1.6
136.06142	17.9
145.04918	28.7
147.06461	13.8
148.42621	1.6
163.03830	8.7
163.05898	1.8
164.04147	3.1
169.52594	1.6
256.27542	1.9
259.08090	10.1
277.09048	7.9
279.05682	2.0
321.48178	2.0
326.62732	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.80826	1.4
55.01852	6.3
55.05504	16.7
56.17521	1.3
57.07052	9.1
59.04982	1.2
62.56554	1.4
66.65689	1.4
67.05482	29.0
69.03417	3.5
69.07045	43.0
71.04969	5.8
73.02887	1.7
75.47158	1.5
79.05458	19.4
79.19940	1.4
81.07028	100.0
83.04950	1.6
83.08591	13.2
85.02870	1.9
85.06515	9.3
91.05438	8.4
91.10907	1.3
92.09314	2.5
93.06998	40.1
95.04948	2.2
95.08562	66.0
97.06492	10.3
97.10146	3.0
105.06985	15.5
107.08565	29.5
109.06500	6.2
109.10127	41.9
111.08057	32.2
111.11703	2.1
117.07004	1.8
119.08517	8.3
121.10090	16.5
123.11661	24.9
125.09558	5.4
131.08508	2.5
133.10078	6.6
135.11646	17.6
137.13245	11.0
139.11142	2.5
145.10098	1.8
147.11665	7.4
149.13240	8.6
151.11151	7.8
153.12689	18.7
154.12228	3.4
159.11604	2.6
161.13203	2.4
165.12547	1.5
173.13097	1.8
175.14880	3.2
177.12695	1.6
181.12189	14.8
189.16350	2.1
203.17935	2.8
277.25156	2.9
286.81531	1.8
289.25269	12.7
307.26227	8.4
325.27219	2.0
332.71814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.273
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.00289	1.8
55.01848	3.2
55.05274	1.9
55.05497	30.7
56.96542	2.4
57.03431	3.4
57.07053	11.7
58.20730	1.4
59.04996	2.6
65.03928	1.8
67.05487	32.3
69.03410	2.7
69.06680	3.1
69.07041	65.5
69.07416	2.4
71.04954	13.2
79.05463	24.2
81.07027	79.3
83.04948	2.7
83.08617	19.0
83.85317	1.8
85.06504	2.7
91.05447	19.2
92.09312	4.3
93.07008	100.0
95.04929	23.4
95.08569	68.0
97.06468	10.3
97.10133	7.9
98.97558	3.3
99.08080	2.4
100.02458	2.3
105.07017	20.6
107.08566	35.4
109.06483	2.9
109.10127	37.5
110.57671	1.9
111.08047	27.5
111.11671	1.8
113.02104	1.7
118.03467	4.2
119.08537	15.1
121.10091	30.5
123.08035	2.3
123.11658	22.1
125.09606	3.7
131.08530	7.3
131.89188	1.8
133.10063	13.8
135.11621	15.5
137.13182	2.2
139.11137	4.2
145.10057	9.3
147.11600	3.5
149.09602	2.8
149.13210	15.1
151.14737	2.8
159.11644	9.1
161.13237	4.1
167.14223	2.4
173.13168	2.8
175.14870	1.9
187.14864	2.1
209.18903	7.1
271.24109	4.2
277.25189	3.0
289.25131	7.8
295.26212	3.3
307.26218	20.1
325.27225	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
54.42101	1.1
55.01856	2.6
55.05499	33.6
56.96545	2.6
57.03413	7.5
57.07061	16.0
59.04972	2.7
67.05486	32.9
69.03395	7.1
69.07043	83.0
69.07420	2.8
71.04969	10.3
71.60874	1.2
79.05469	21.2
81.07030	70.8
83.04945	5.4
83.08586	22.4
85.02858	3.1
85.06518	6.1
91.05445	20.9
92.09368	1.4
93.07011	100.0
95.04927	20.9
95.08570	59.6
97.06499	16.2
97.10116	7.3
98.14359	1.4
99.64761	1.5
105.07003	18.3
106.24588	1.6
107.08568	29.8
109.06487	8.2
109.10126	33.2
111.08051	38.2
111.11725	1.7
116.98586	2.9
117.06931	1.7
119.08549	8.4
120.72651	1.6
121.06425	2.0
121.10106	35.6
123.08054	6.3
123.11662	18.7
125.09602	3.3
131.08466	2.0
133.10088	7.3
133.67299	1.4
135.07993	1.8
135.11679	7.2
137.09564	3.1
139.11139	8.9
145.10086	3.6
147.11650	2.8
149.09575	1.7
149.13167	11.2
151.11211	1.6
159.11620	7.2
161.13165	5.8
163.14680	2.1
165.12750	1.4
167.10661	2.0
177.12708	1.7
198.15094	1.5
209.18901	6.6
215.17992	1.6
241.87502	1.6
271.24045	2.8
289.25134	6.8
307.26114	11.9
325.27371	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	325.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.87843	1.8
55.01847	8.0
55.05500	21.7
57.07051	8.4
67.05485	22.4
69.03407	4.2
69.07042	59.3
70.88406	1.8
71.04951	3.3
71.08598	1.9
79.05461	17.8
81.07025	100.0
83.08582	12.6
85.02888	4.6
85.06509	10.8
88.08568	2.0
91.05435	8.4
93.07012	42.1
95.04902	3.5
95.08570	53.5
96.78934	1.9
97.06506	10.1
98.82774	1.7
99.08035	4.2
105.06987	14.1
107.08556	30.9
107.78680	2.1
109.06458	7.4
109.10123	32.0
111.08047	31.1
111.11686	4.5
113.60133	2.0
118.60660	1.8
119.08525	12.9
121.10121	23.4
123.11658	20.9
125.09553	1.9
127.07568	2.2
127.11174	2.6
131.08525	2.0
133.10039	4.5
135.11647	18.3
137.13205	12.4
137.89282	1.9
145.10065	7.0
147.11673	3.9
149.13156	3.9
151.11115	4.3
153.12738	16.7
155.28008	1.9
159.11644	2.3
161.13115	2.7
180.35388	1.8
271.24438	2.3
289.25037	9.3
307.26126	8.4
311.66107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2729
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01858	10.3
55.05487	22.3
57.07062	12.2
67.05481	25.4
69.07040	38.8
71.04960	4.5
73.23302	1.8
79.05454	15.2
79.11720	2.0
81.07020	100.0
83.04980	2.2
83.08589	16.8
85.06512	18.8
91.05442	8.2
93.07010	34.5
93.56919	1.9
95.04966	3.8
95.08565	66.1
95.09145	3.4
97.06500	9.1
97.10110	2.3
99.08064	3.2
105.07007	10.8
107.08571	30.8
109.10130	27.8
111.08042	38.9
119.08549	8.2
121.10091	19.8
123.08081	3.2
123.11681	15.9
126.66412	2.3
131.08488	2.5
133.10101	11.2
135.11684	8.6
137.02281	2.0
137.13245	8.9
139.11188	2.6
146.77663	1.8
147.11592	4.2
149.13232	3.6
151.11217	3.2
159.11673	4.1
161.13202	3.2
163.14743	2.5
175.14775	2.2
183.57144	2.2
203.17976	2.9
249.40926	1.9
282.04999	2.2
287.49545	2.2
289.25107	13.3
299.85416	2.5
307.26245	11.6
314.51184	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2728
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03928	2.9
55.01857	2.0
55.05498	32.2
57.03416	5.3
57.07061	11.4
59.04977	2.6
67.05483	24.2
67.94972	1.1
69.03401	7.4
69.07042	77.8
71.04969	5.4
71.08625	1.2
73.30556	1.1
79.05470	16.8
81.07024	65.9
83.04939	2.5
83.08589	29.7
85.06509	2.4
89.98923	1.0
90.92053	1.1
91.05453	15.6
92.08669	2.7
93.07003	100.0
95.04935	22.6
95.08572	62.1
95.09088	1.6
97.06494	8.0
97.10111	8.9
99.08138	1.4
105.06995	12.8
107.04884	1.6
107.08559	26.9
109.06487	6.7
109.10126	24.9
111.08041	34.1
114.71006	1.3
117.06997	2.0
119.08556	7.7
121.10111	28.6
123.08036	5.5
123.11646	14.5
125.09554	5.8
131.08521	2.6
133.10083	6.3
135.11658	6.4
137.13231	2.7
139.11102	2.9
145.10075	2.7
147.11658	2.8
149.09552	2.2
149.13196	11.5
151.11177	1.8
158.08763	1.2
159.11607	2.4
161.13190	2.4
167.14272	1.3
173.13170	1.8
177.12752	1.8
189.16092	1.4
195.13797	1.4
205.43968	1.3
209.18953	4.3
271.24243	2.7
289.25150	4.7
295.26242	1.9
307.26276	13.6
325.27243	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	325.273
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03933	1.7
55.01845	4.8
55.05283	1.0
55.05499	15.8
55.88751	0.9
56.09949	1.0
56.93266	0.8
56.96537	0.9
57.07049	9.2
57.45950	0.8
59.04969	1.7
59.12780	0.9
60.22306	1.0
60.53930	0.8
61.10462	0.9
61.36521	0.9
64.31738	1.1
66.90701	0.9
67.05482	22.6
69.03406	2.4
69.06677	2.0
69.07043	53.0
71.04961	7.3
73.02888	2.3
76.54164	0.9
77.73610	0.9
79.05458	18.1
81.07025	100.0
83.04919	2.4
83.08600	10.6
85.02871	2.3
85.06507	5.2
91.05443	6.5
93.06425	1.7
93.07011	43.4
94.40645	1.3
95.04935	3.9
95.08566	43.8
95.52575	0.9
97.06484	9.9
97.10099	1.7
99.08042	2.4
101.06009	1.4
101.52307	1.2
105.07003	16.6
107.08563	41.2
109.06473	5.9
109.10130	43.7
111.08044	39.7
111.11674	4.6
119.08539	12.0
121.10109	16.2
123.08039	1.8
123.11657	22.1
125.09564	6.1
131.08508	1.5
133.10063	10.7
135.11632	15.4
137.09554	1.3
137.13171	7.7
139.11143	4.9
145.10077	4.3
147.11617	5.9
149.13174	6.2
151.11118	13.1
153.12695	23.1
154.12236	1.7
159.11617	4.4
161.13190	4.8
163.11209	1.5
163.14754	4.2
165.12706	4.0
166.70676	1.0
169.12228	1.6
173.13165	1.3
175.14769	4.1
177.12701	2.3
181.12175	13.5
187.14781	1.3
189.16330	1.3
215.17860	1.3
245.22484	1.8
271.23938	1.4
277.24942	1.4
289.25113	19.8
299.17075	1.0
307.26205	16.5
325.27295	4.1
331.86993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	6.1
55.05500	13.5
56.96553	2.1
57.07056	4.2
58.27637	0.7
59.04977	4.3
64.32044	0.9
67.05481	32.3
69.03399	3.2
69.07045	13.8
71.04964	13.2
71.08598	1.0
74.52945	0.8
78.81309	0.7
79.05447	11.0
79.07984	0.7
81.07024	71.2
83.04977	0.8
83.08603	6.1
85.02881	1.0
85.06506	3.8
91.05442	5.9
93.07008	19.8
95.04958	2.0
95.08571	100.0
97.06495	4.6
97.10126	1.2
98.97583	1.3
99.08067	1.8
105.06998	9.9
107.04944	0.9
107.08554	17.3
107.09210	0.9
109.06460	1.1
109.10133	21.3
111.08041	23.9
119.08542	8.7
121.10101	12.9
123.11655	16.6
125.09576	1.7
127.11147	1.5
131.08554	1.3
131.93051	0.8
133.10072	4.1
135.11668	6.4
137.13210	35.2
139.11130	1.0
141.09027	0.9
145.06615	0.9
145.10141	1.8
147.11647	9.0
149.13228	11.9
153.12703	1.6
159.11652	3.6
161.13158	1.1
163.14778	1.3
165.12769	3.1
173.13174	1.5
177.16426	1.0
183.13722	0.9
189.16318	0.9
191.17915	1.1
203.17908	2.0
215.17784	0.9
218.64551	0.8
237.18463	1.9
237.22083	1.5
276.22940	0.9
277.25168	8.9
289.25192	5.2
295.26028	1.5
307.26257	10.1
311.80597	0.9
325.07452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1387
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.15189	0.3
53.03939	0.4
54.81068	0.3
55.01828	0.3
55.05503	0.3
55.51992	0.4
56.96551	4.3
57.03414	1.8
61.02903	0.8
62.11417	0.4
65.87782	0.3
67.05483	0.8
69.03396	2.0
69.83676	0.4
71.04949	0.9
73.02874	0.8
79.05467	0.6
81.03376	0.7
81.06998	0.4
83.04948	0.7
85.02874	5.9
86.03194	0.4
89.03876	0.9
91.05441	2.8
93.07014	5.5
95.04941	1.5
97.02853	1.8
98.97549	0.8
99.04423	0.7
103.05417	2.2
107.04909	0.4
109.06459	0.5
111.04386	1.4
115.05431	0.6
116.98601	0.8
117.03344	1.3
118.06491	4.2
121.06459	83.1
127.03851	2.1
128.98566	0.5
133.07544	5.1
134.99536	0.4
135.04349	1.6
137.02322	4.2
137.03249	0.6
137.06023	0.4
138.09084	11.0
139.03918	0.6
145.02811	1.4
145.05168	2.7
145.07562	100.0
146.05237	0.8
146.08302	2.5
147.09120	0.5
155.00128	0.4
161.01129	0.6
163.03847	5.2
163.08603	69.2
164.04129	0.6
164.09000	0.4
172.05074	0.6
172.95143	0.6
173.01129	0.6
179.02214	0.5
187.07457	1.5
189.00644	0.6
201.05331	0.5
203.02122	0.5
205.00087	0.5
211.02751	0.5
223.01192	0.5
231.02802	2.0
244.59415	0.4
259.05890	3.4
325.13818	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01850	0.9
55.05499	0.7
57.03414	7.3
60.84912	0.5
61.02901	4.2
67.05474	6.3
68.05804	1.1
69.03397	11.0
69.07037	5.6
70.07345	0.7
71.01302	0.7
71.04947	3.6
73.02866	2.8
75.04452	0.8
80.65445	0.5
81.03363	1.0
81.07041	0.9
85.02869	5.9
91.05468	0.7
93.06985	0.6
97.02857	1.3
99.04401	0.7
103.05427	0.8
107.80666	0.5
109.02827	0.5
109.10119	28.6
109.10877	1.0
110.10449	16.2
118.06495	1.1
119.33533	0.6
120.08051	0.9
123.04416	0.5
124.07567	0.6
127.03853	0.9
127.11138	9.9
128.11467	3.6
132.06792	0.9
133.36449	0.5
134.03099	0.9
136.07497	1.3
137.07878	2.8
145.04967	1.0
145.07555	11.0
146.08371	1.0
147.09122	98.2
154.08604	0.6
159.09145	2.9
160.09894	0.6
163.03824	1.0
164.06990	0.8
173.07022	1.0
176.82562	0.6
180.03696	0.9
191.08086	100.0
195.92989	0.6
263.13834	1.1
281.14850	32.2
289.11633	0.9
307.12750	7.1
325.13803	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30856	0.2
53.03930	2.6
54.51591	0.2
54.81358	0.2
55.01848	2.8
55.05491	0.3
56.45834	0.2
57.03423	3.9
59.04978	0.3
59.45217	0.2
61.02885	1.5
63.32334	0.2
67.05466	1.1
68.05804	0.4
68.15641	0.2
69.03404	17.8
69.07028	1.0
70.07388	0.2
71.01308	1.0
71.04963	6.8
73.02866	1.0
75.04427	0.3
80.05737	0.2
81.03388	16.7
83.08578	1.3
85.02873	2.1
86.03210	0.3
87.04422	0.2
91.05421	1.2
97.25648	0.3
99.04419	5.5
109.09414	0.3
109.10120	7.5
109.10861	0.3
110.10462	3.6
116.04888	0.5
117.05439	1.0
118.06499	6.7
127.11158	2.9
128.11493	1.8
132.06773	0.4
135.09128	0.2
145.07567	10.7
145.12180	3.9
145.95433	0.2
146.12523	2.0
147.09134	12.2
148.06288	0.4
151.85783	0.2
155.34550	0.2
159.09045	0.2
161.07088	0.3
162.07805	2.2
163.08543	1.5
173.07042	17.0
175.08603	7.1
185.06996	0.3
187.08586	0.3
190.07327	0.3
191.08087	100.0
197.49425	0.3
205.09698	1.0
213.10240	0.2
215.11679	0.3
233.09109	1.2
289.11755	1.3
307.12766	19.1
325.13812	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	325.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79292	0.1
56.96534	0.9
58.52998	0.1
62.26467	0.1
98.97548	5.9
100.97101	0.2
101.00824	0.9
101.49266	0.2
116.98576	6.3
119.01880	7.0
123.30663	0.2
134.99629	4.5
136.04515	0.2
137.02910	3.7
153.00731	1.0
158.01299	0.2
158.99850	0.9
176.02528	0.2
177.00891	16.4
182.99780	0.3
192.98996	0.2
193.04039	0.2
195.01970	0.4
200.02576	0.3
201.00702	1.2
210.99831	0.3
216.98842	0.3
217.03989	3.5
218.03517	0.8
219.01932	30.9
220.02118	0.6
221.01543	0.2
222.01949	0.2
225.00777	1.9
234.97676	0.2
234.99919	4.5
240.98914	0.7
242.03596	0.2
243.01897	5.5
248.98480	0.2
249.98668	0.2
251.13165	0.2
253.01012	1.9
258.99890	7.3
259.02438	0.4
259.99902	0.8
260.04541	3.6
261.02960	100.0
262.03024	1.7
263.03091	0.3
264.98727	0.2
273.98688	0.2
274.97687	0.2
275.04416	0.3
277.00952	11.0
278.01041	1.2
279.00485	6.1
282.99869	9.9
283.99884	0.8
284.04559	2.7
291.99518	0.4
301.00949	27.9
302.01312	1.4
302.05594	13.0
303.01022	0.2
303.05972	0.2
319.02008	2.1
325.01981	1.9
325.07117	0.2
343.02039	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46185	0.3
53.03918	0.3
55.01852	0.3
55.05476	1.4
56.44970	0.2
57.03408	0.7
59.80051	0.3
61.02897	0.6
63.35542	0.3
67.05481	15.1
69.03414	2.2
69.06678	0.6
69.07040	15.5
71.01327	0.2
71.04960	4.0
73.02851	1.0
73.06503	0.4
79.05453	1.2
81.03368	0.5
81.07024	5.3
82.33852	0.2
83.08585	1.3
85.02880	5.3
85.06475	0.3
87.04472	0.3
91.05440	0.5
93.06977	0.5
95.04945	0.6
95.08546	0.3
97.02834	1.5
103.03948	0.3
104.24632	0.3
105.03339	0.4
107.04910	1.2
107.08566	0.5
109.02840	0.6
109.10117	100.0
111.11674	0.5
115.03909	0.6
117.15360	0.3
123.04386	0.5
124.07542	0.6
125.02301	0.4
127.03909	0.3
127.11142	29.3
133.02821	2.7
133.04942	1.5
136.07520	9.6
137.07875	6.2
143.08873	0.3
145.07571	0.4
145.12184	0.4
147.09177	2.8
151.03839	1.2
154.08545	2.5
155.08911	1.9
161.02246	1.2
164.06999	3.3
165.07367	2.9
179.03326	4.1
179.05394	1.4
182.08096	0.3
191.08093	3.5
221.05684	0.4
222.06215	0.5
250.05757	0.7
281.14902	0.3
296.06149	1.2
322.91879	0.3
324.05725	1.2
324.16000	0.4
325.13763	1.6
336.20459	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	0.5
54.80656	0.6
55.01858	0.7
55.05490	5.7
55.69709	0.4
56.96547	0.6
57.03418	13.0
59.04964	2.2
60.82742	0.5
61.02897	0.9
67.05482	36.8
69.03391	3.6
69.07034	7.5
71.04964	17.3
73.02885	1.1
74.32066	0.5
79.05472	0.6
81.03373	1.3
81.07032	7.6
83.08591	11.4
85.02871	13.6
85.06519	5.0
89.03890	2.8
91.05431	1.0
97.02841	3.3
97.10148	1.0
99.08044	2.4
103.03869	0.6
107.08573	0.9
109.02845	2.4
109.10121	88.4
109.44392	0.5
117.03337	8.1
118.06542	1.4
119.04852	0.7
123.04375	0.6
127.03911	2.1
127.11148	100.0
137.07944	0.9
144.04379	0.7
145.02805	17.6
145.12184	17.0
147.04344	2.1
149.05960	3.1
162.05458	2.7
163.03888	0.8
177.05405	17.6
222.06142	0.6
226.05292	0.6
226.95520	0.6
250.05751	0.8
296.06219	1.1
324.05432	0.9
324.12451	0.9
330.33633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01864	0.8
55.05493	0.8
55.61676	0.7
57.02554	0.7
57.03411	1.5
57.07060	1.1
61.02911	7.2
67.05479	3.3
69.03407	10.8
71.04954	4.0
73.02886	1.6
81.03384	3.6
81.07015	1.8
85.02372	1.5
85.02874	36.7
85.06515	100.0
91.03929	1.6
95.08544	0.7
97.02870	9.8
99.04424	1.3
99.08038	1.6
107.08518	1.0
109.02846	3.1
109.06512	1.2
109.10131	1.0
113.05956	3.4
116.26746	0.7
127.03857	7.1
127.07499	10.6
145.04926	9.4
145.08560	32.4
147.04338	1.0
163.05937	3.7
167.67665	0.8
180.08694	0.9
229.63800	0.8
324.15286	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	324.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90376	0.3
53.03914	2.2
55.00932	0.3
55.01844	1.7
57.03419	8.8
59.04951	0.6
61.02647	0.4
61.02904	5.4
69.03037	0.6
69.03402	17.1
71.01309	1.8
71.04960	4.3
73.02883	2.2
74.02275	0.3
75.04435	1.9
81.03372	4.9
81.07035	4.6
85.02877	1.3
85.06522	2.7
87.04394	0.5
97.02806	0.4
97.06509	0.5
99.04418	5.3
99.08047	2.1
109.06477	3.5
110.07132	0.6
117.05462	1.4
118.06492	1.6
127.07513	7.4
130.06471	1.4
135.09027	0.3
145.07552	5.6
145.08577	3.5
147.09129	3.5
163.08595	1.4
172.08627	29.8
173.07018	5.4
175.07271	1.4
175.08614	4.6
189.08904	1.3
189.10335	0.4
190.09685	100.0
191.08087	51.2
202.09734	1.4
214.09784	2.3
215.11685	0.4
227.10365	0.3
228.11169	0.4
232.10739	0.6
233.09081	0.4
288.13477	0.4
289.11707	0.6
306.14340	1.7
307.12766	18.0
324.15408	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	323.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.5
54.80681	1.1
55.05497	49.0
57.06785	2.6
57.07058	61.4
58.51524	1.2
67.05479	21.0
69.07043	100.0
69.07420	3.3
70.46301	1.2
71.04970	1.6
71.08601	36.5
73.06509	1.7
79.05460	11.0
81.07030	40.6
83.04939	1.9
83.08591	60.0
85.06515	9.7
85.10160	18.8
91.05440	6.1
91.81326	1.3
93.07024	16.4
95.04952	1.8
95.08571	51.4
95.09135	2.3
97.06489	12.8
97.10137	37.6
105.06998	18.8
107.08554	17.3
109.06495	2.9
109.10125	29.2
111.08074	5.0
111.11691	17.8
115.07491	5.2
119.08535	16.6
121.10107	17.1
123.08009	2.9
123.11682	13.3
125.09592	2.9
125.13248	7.4
127.07547	2.1
133.10086	18.7
135.11653	9.3
137.09529	5.8
137.13205	8.6
139.11130	2.2
141.08992	2.4
147.11658	21.1
149.13243	3.4
151.11142	7.5
153.12686	2.2
161.09595	6.8
161.13168	13.4
163.14713	2.1
165.12672	10.0
175.14859	2.5
179.14291	9.4
181.40118	1.3
183.13722	3.5
188.96741	1.5
193.15877	2.4
197.15335	5.7
213.18520	1.6
217.19513	2.3
263.27194	2.3
287.27316	6.3
305.28238	5.9
317.40536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2573
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
54.80902	1.6
55.01844	2.4
55.05499	26.8
56.96526	2.8
57.03412	3.5
57.07047	10.3
59.04976	1.9
67.05484	33.4
69.03391	9.0
69.06679	2.6
69.07044	70.8
71.04942	11.8
71.08574	3.0
74.17599	1.9
74.32647	1.9
79.05466	23.4
81.07027	100.0
83.04943	10.1
83.08599	13.4
85.06543	2.2
85.22671	1.7
90.33231	1.9
91.04995	1.5
91.05458	21.7
93.07012	70.8
95.04949	19.7
95.08572	63.3
97.06499	8.7
97.10132	2.5
98.97594	2.4
103.24725	1.6
105.06999	33.4
105.17005	1.7
107.08563	39.7
109.06475	11.1
109.10130	36.5
111.08035	8.9
111.11658	2.5
117.06952	3.4
119.08527	19.3
121.10111	36.9
123.07993	10.2
123.11663	22.9
125.09584	4.0
129.06834	2.2
131.08508	9.7
133.10100	17.7
135.07993	3.0
135.11618	7.1
137.09547	8.6
137.13199	10.6
139.11131	9.5
145.10089	8.8
147.11653	9.8
147.76111	1.9
149.09602	4.2
149.13214	3.3
151.11125	8.3
153.12611	2.7
157.10121	3.5
159.11555	4.0
161.09528	2.1
165.12790	2.2
167.10646	3.4
175.11185	1.9
185.13181	2.1
188.46190	1.9
193.15883	1.8
287.23639	3.3
305.24634	11.8
323.25616	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	323.2573
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.00298	2.2
55.01865	3.0
55.05494	24.2
57.03411	2.6
57.07056	9.5
58.64238	1.6
59.04975	4.4
67.05487	42.9
69.03403	9.7
69.07043	45.8
71.04966	10.5
79.05469	23.6
81.03385	2.8
81.06550	3.3
81.07026	90.5
83.04958	8.4
83.08601	8.6
85.06525	10.1
90.08848	1.7
91.05440	16.2
93.07001	70.1
95.04951	16.8
95.08569	100.0
97.06490	15.5
105.06992	31.9
107.08559	39.9
109.06493	11.2
109.10121	31.8
111.08057	16.7
111.08714	1.8
111.11694	2.6
114.35719	1.7
117.06945	2.0
119.08527	20.9
121.10100	37.2
123.08034	7.5
123.11669	24.3
125.09677	3.0
127.11191	2.4
131.08513	4.5
133.10062	15.4
135.11673	17.2
137.09598	4.0
137.13182	7.4
139.11136	11.5
145.10036	15.0
147.11667	14.5
149.13239	8.2
151.11200	3.1
159.11638	8.4
161.13287	3.4
165.12794	4.6
167.10600	3.5
177.12665	1.9
187.14848	2.2
201.16408	3.7
223.16948	2.1
256.37247	1.9
269.22470	2.7
287.23679	4.4
305.24637	14.2
323.05273	2.2
323.25644	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	323.2573
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
51.99392	1.8
53.00277	2.8
54.81224	2.2
54.83026	1.8
55.01862	2.7
55.05497	46.4
55.93605	1.9
56.96529	4.4
57.03426	2.5
57.07047	17.1
58.36141	1.9
59.04978	3.7
67.05478	34.3
69.03405	5.0
69.07043	53.7
71.04962	16.2
73.06527	3.6
79.05483	22.4
81.07032	100.0
81.34306	2.1
83.04957	32.7
83.08578	13.9
85.06510	11.3
91.05448	19.2
93.07014	63.0
95.04920	21.0
95.08564	74.0
97.06474	14.1
97.10139	5.2
98.97523	4.9
105.06992	34.1
107.08559	46.7
109.06497	16.8
109.10119	37.2
111.08045	20.0
111.11684	2.7
116.98573	2.2
119.08514	24.2
121.06440	2.7
121.10081	34.1
123.08050	3.1
123.11651	18.0
125.09571	9.2
131.08463	3.1
133.10088	22.0
135.11612	9.8
137.09570	8.9
137.13158	4.2
139.11098	3.1
143.08507	2.5
145.10060	11.4
147.11630	11.3
149.13223	11.2
151.11086	4.6
156.07159	2.2
157.10080	2.9
159.11661	9.7
161.13203	2.6
167.10570	3.4
171.11520	2.8
189.16273	3.8
213.16116	2.7
229.61630	2.8
245.22330	2.3
287.23593	4.3
305.24701	21.9
323.04706	2.4
323.25858	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	323.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	1.8
53.03902	1.5
55.05509	10.4
56.96542	1.8
57.07048	8.1
59.04956	1.6
63.80100	0.9
65.03907	1.3
67.05480	17.9
68.16652	1.1
69.03409	1.7
69.07045	19.0
71.04963	13.4
79.05460	11.1
81.07024	100.0
83.08597	2.8
85.06517	5.9
87.04436	1.1
91.05447	12.7
93.07012	30.7
95.04929	55.2
95.08572	69.7
97.06509	2.4
97.10120	1.6
98.97543	7.8
99.08073	1.4
105.06996	30.9
107.08539	18.9
109.06480	2.4
109.10127	19.4
111.08022	6.0
114.35587	1.1
116.98579	7.1
119.08536	16.4
121.10096	14.2
123.07998	1.4
123.11661	19.3
131.08498	7.0
133.10114	9.8
134.99596	5.2
135.11653	4.8
137.13196	34.1
141.12697	1.5
141.37190	1.1
143.08479	2.8
145.10059	9.9
147.11639	21.2
149.13220	1.5
153.12686	2.1
157.10063	5.5
159.11612	11.6
161.13165	8.3
165.12695	4.7
171.11644	4.8
173.13136	4.8
185.13312	1.4
199.14703	2.0
201.16328	9.6
213.16330	4.8
258.99658	1.4
277.00787	5.7
287.23630	12.3
305.24585	7.4
323.25699	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2573
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
54.80298	1.7
55.01858	4.8
55.05500	27.3
57.03411	3.8
57.07053	13.0
59.04974	3.1
67.05480	47.2
69.03403	7.2
69.07043	72.6
71.04971	11.9
71.08603	2.0
79.04061	1.8
79.05465	33.4
81.07029	100.0
83.04958	8.4
83.08595	12.4
85.02904	2.1
85.06512	4.5
85.68904	1.8
91.05438	19.7
93.07005	73.0
95.04917	13.5
95.08573	77.7
95.09145	3.3
97.06480	12.2
97.10132	4.3
99.04414	2.2
99.08067	2.4
103.93845	1.8
105.07001	31.3
107.08561	47.9
109.06474	14.4
109.10132	30.2
111.08063	16.0
111.11696	2.9
117.06942	2.8
119.08551	22.6
121.10098	36.9
123.08037	7.6
123.11682	23.8
125.09584	4.1
131.08534	10.2
132.78676	1.9
133.10088	17.9
135.11649	12.9
137.09613	2.7
137.13187	8.0
139.11172	8.0
145.10101	9.6
147.11627	13.2
147.17012	1.9
149.09508	2.8
149.13156	4.3
151.11133	9.1
153.12755	3.5
153.79068	2.2
155.10638	2.2
157.10078	2.2
159.11656	7.8
161.13281	2.6
165.12645	2.0
167.10643	8.8
173.13242	2.8
185.13290	1.9
189.16414	3.3
201.16451	2.7
205.17593	2.3
269.22513	2.0
287.23703	2.5
305.24673	18.1
323.25803	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	323.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71339	0.2
53.03922	0.4
55.01849	0.5
55.05486	0.5
57.03412	0.5
59.30888	0.2
65.03924	0.3
65.49947	0.3
67.05474	1.5
69.03410	0.3
69.07027	0.4
71.04961	1.3
79.05460	2.6
81.07031	3.3
82.07362	0.4
83.04948	1.2
85.02870	1.1
85.06505	0.4
86.09602	0.3
91.05448	3.5
92.09335	0.3
93.07005	2.9
95.04939	1.5
95.08560	1.7
96.08109	0.4
97.06454	0.4
105.06993	0.4
107.08549	2.6
108.08076	1.5
108.08839	0.6
109.10117	1.1
110.06003	1.3
110.24548	0.4
119.08521	0.4
122.05992	1.4
123.04427	0.4
124.07555	6.1
125.09579	2.2
126.05477	1.5
126.09930	0.5
136.07532	100.0
137.02274	0.4
138.09073	0.5
140.07010	1.2
141.06941	0.3
142.08592	4.9
143.10626	0.5
147.04288	0.3
152.07051	1.9
154.08583	27.4
164.07005	38.5
165.06946	4.3
170.08093	0.4
176.06149	0.4
177.06917	0.6
179.03349	0.3
182.08058	6.7
193.06548	2.1
195.95526	0.3
205.06395	1.1
211.07436	0.6
221.05882	6.1
233.05898	0.3
239.06921	1.8
246.22037	0.3
249.05370	7.2
249.07695	0.5
267.06396	1.6
269.20966	0.4
277.04837	3.8
279.06256	0.4
295.05881	4.8
305.04395	0.5
305.14859	1.8
323.05380	7.8
323.15918	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	322.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.6
55.05486	4.5
66.71686	0.7
67.05443	0.8
69.03392	3.5
69.07027	1.0
71.04963	3.5
76.02331	0.7
79.05460	7.0
81.07012	4.3
83.04956	5.5
83.08598	5.3
85.02869	3.9
85.06496	1.0
91.05431	1.4
92.09397	0.9
95.04907	0.8
95.08553	1.0
97.02827	0.8
97.10102	3.4
105.06973	1.6
107.08560	75.8
109.06492	1.0
118.06525	1.1
125.09588	100.0
129.14539	0.7
143.10632	9.7
196.74017	0.8
197.06015	0.8
212.57292	0.7
221.05864	1.1
239.06686	0.9
294.40765	0.9
323.05325	1.5
329.36481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06020	2.3
77.73997	2.9
132.40459	3.1
175.11430	2.9
207.51167	2.9
310.04471	3.2
323.07288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.2
55.05490	19.8
57.03418	7.7
59.04976	1.6
61.02907	3.8
67.05485	13.8
67.50007	1.8
69.03407	11.1
69.07027	1.9
70.06567	1.9
71.04957	9.9
79.05462	47.0
81.03410	1.9
81.07026	100.0
83.04964	19.6
83.08593	8.7
85.02863	27.3
85.06533	7.7
87.04430	1.9
91.05434	21.4
93.07001	2.2
95.04914	2.5
95.08586	8.0
96.08926	2.4
97.02826	2.8
97.06483	2.0
97.10143	10.1
105.06989	11.7
107.08559	82.8
109.06519	7.2
111.04433	2.3
119.04909	2.2
120.05152	2.9
120.08078	3.7
124.07527	2.0
125.09586	97.3
126.68136	1.5
127.03873	3.5
130.64922	1.7
136.07538	35.4
141.09067	2.6
143.10625	43.9
147.04367	8.2
148.04745	7.6
153.76794	1.6
154.08611	8.0
160.07516	3.2
164.07024	13.2
165.06927	2.1
171.48772	1.7
182.08128	2.7
193.06320	2.0
221.05878	3.9
249.05453	7.8
277.04852	2.3
295.05865	6.4
322.09909	2.8
323.05353	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	322.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
55.05487	4.7
57.03406	1.5
59.04982	1.2
59.83773	0.8
61.02905	2.0
65.86842	1.0
66.12694	0.8
67.05473	6.5
69.03400	4.8
69.07030	2.3
71.04973	1.3
72.64946	0.8
73.32710	0.8
74.96312	0.9
78.26987	0.8
79.05460	54.5
81.03378	1.3
81.07024	16.4
83.04945	18.4
83.08578	4.3
85.02881	13.6
85.06533	1.2
86.09701	1.0
91.05463	7.9
92.27073	1.0
93.07022	1.2
95.04939	1.8
95.08546	4.6
97.02856	5.2
97.10139	1.6
98.31485	1.0
105.07001	5.5
107.04931	1.2
107.08559	82.3
109.06480	3.4
112.74713	0.9
119.06067	1.1
124.51867	1.0
125.09584	100.0
127.03854	1.1
139.88574	1.1
143.10651	2.0
160.07532	12.7
160.66968	1.0
192.78941	1.0
198.36560	0.9
200.56206	1.0
202.80595	1.1
207.30667	1.0
207.42752	0.9
276.14267	1.6
304.13568	5.0
322.14749	2.2
322.25735	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2417
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
55.05266	1.7
55.05487	14.5
56.96539	1.8
59.04977	11.8
64.32505	2.0
67.05486	24.7
69.03403	12.4
69.07043	21.4
71.04964	9.0
79.05452	21.6
81.07024	72.5
83.04959	2.4
83.08591	4.6
85.06499	3.1
87.04454	2.2
87.59388	2.1
91.05444	25.8
93.07004	100.0
95.04926	78.7
95.08569	51.4
97.06503	14.7
105.06992	33.8
107.08553	39.8
109.06483	12.9
109.10125	20.5
111.08059	3.1
117.06988	2.3
119.08527	30.9
121.10102	36.7
123.08009	3.3
123.11669	20.3
126.71270	1.8
131.08514	10.9
131.77644	1.9
133.10083	10.3
135.11674	11.1
137.13210	3.0
139.11122	19.4
141.06941	2.2
145.02779	2.7
145.10081	16.5
147.04402	3.8
147.11676	16.3
149.09622	3.1
149.13185	4.6
151.11086	2.9
157.10069	4.7
159.11656	24.8
161.13211	4.5
165.12669	3.8
167.10652	4.5
169.10226	2.3
173.13200	4.6
175.14809	4.0
201.16286	4.3
209.58641	2.1
215.17896	7.8
250.11397	1.8
267.20969	2.3
303.22964	14.7
316.75266	1.9
321.24231	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	321.2416
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
53.03933	2.1
55.01856	2.0
55.05495	21.8
56.96551	2.7
57.07050	10.3
59.04980	3.0
67.05480	21.8
69.03398	41.8
69.03733	3.4
69.07027	16.4
71.04962	50.1
73.06517	7.0
77.03880	1.7
79.05460	35.0
81.07022	66.0
83.04944	9.4
83.08588	8.8
85.06514	29.5
91.05437	23.8
93.06998	96.4
95.04923	21.4
95.08569	27.7
97.06498	6.8
97.10136	10.8
98.97525	2.8
105.07003	36.5
107.04881	2.2
107.08554	100.0
109.06483	11.1
109.10117	14.6
117.06954	4.1
118.41195	1.8
119.08522	33.3
121.06460	18.3
121.10095	61.7
123.08027	3.3
123.11622	14.3
125.09581	44.5
131.08531	12.5
133.10078	11.0
135.08012	39.3
135.11636	26.7
137.09534	3.1
137.13255	2.5
139.11145	3.6
142.07764	1.9
143.08568	4.1
143.10628	64.7
145.10052	27.7
147.04347	2.4
147.11636	7.9
149.09578	3.8
151.11118	2.5
157.10088	4.0
159.11595	15.5
161.09579	4.3
163.07509	2.2
163.11116	33.4
167.10669	2.9
170.68379	2.0
171.11623	3.4
172.35789	1.6
173.09430	3.2
173.13216	3.1
175.14728	3.0
187.11099	4.1
243.17404	2.0
256.71722	2.3
303.19504	3.0
303.23026	3.7
321.24106	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2414
Annotation	11,12-EET
Peak:m/z	Relative Intensity
50.72228	1.3
53.00278	1.3
53.03924	3.1
53.64945	1.2
55.01835	1.5
55.05491	7.0
56.96537	2.4
57.07054	2.3
57.39474	1.4
62.55426	1.3
63.00189	1.3
67.05485	15.4
69.03396	2.6
69.07041	9.6
70.06587	1.7
71.04971	12.1
72.43920	1.4
79.05463	33.1
81.06548	3.4
81.07028	100.0
82.55134	1.8
88.30859	1.9
91.05444	15.6
91.32679	1.6
93.07013	40.0
95.04948	3.7
95.08575	12.6
98.97567	2.1
105.06982	23.5
107.08561	22.9
108.85885	1.6
109.06503	19.6
109.10107	12.8
116.81286	1.5
117.06992	2.4
119.08540	19.6
120.37524	1.5
121.06413	2.6
121.10143	13.9
123.08053	3.8
123.11668	1.9
129.06964	2.1
131.08493	3.5
133.10110	8.9
135.08005	8.2
135.11656	6.1
142.18234	1.6
143.08482	6.6
143.10654	2.5
145.10078	13.3
147.04332	2.4
147.11635	9.1
151.10954	1.8
157.10101	9.3
159.11671	3.9
159.76376	1.7
161.09573	1.6
161.13190	1.9
163.11174	6.0
171.11606	2.0
173.13318	1.4
175.14702	2.2
199.14771	9.6
217.15648	2.3
281.45322	1.5
285.22113	1.6
303.22906	2.4
320.30533	7.3
321.16681	2.1
321.30719	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1536
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.18609	2.7
53.03925	5.0
54.81296	3.8
55.05497	6.3
57.03414	8.6
61.02898	20.4
62.38210	3.3
67.05475	18.2
69.03405	39.8
69.07039	3.9
71.04958	34.4
73.02888	7.8
79.05463	7.4
81.03389	15.1
81.07030	33.6
83.04953	30.8
85.02876	100.0
85.06524	31.6
86.82093	3.6
91.00433	3.3
93.02573	4.0
95.04945	4.9
95.08572	80.6
97.02878	30.8
97.06495	9.1
99.04458	5.0
99.08048	16.7
101.05968	7.8
105.07014	7.2
109.02840	5.5
113.09615	31.7
114.73526	4.0
115.07494	3.7
119.04877	3.9
123.08024	40.3
125.37851	4.6
127.03870	14.3
141.09064	93.5
145.04982	5.2
145.08556	9.4
147.04274	7.1
159.10114	16.2
201.12030	3.9
303.13141	4.8
328.59299	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	320.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.5
56.96535	39.5
57.03413	14.7
57.07054	13.1
67.05474	29.3
68.63966	5.6
69.07032	10.4
79.05447	25.5
81.07029	34.6
85.06499	29.2
86.66084	6.6
91.05437	23.8
95.08570	13.2
95.65972	7.0
96.08894	7.2
97.06494	15.4
98.78444	6.6
98.97546	62.7
105.06995	35.8
107.08572	7.7
109.10085	10.2
115.01173	6.1
115.05421	14.4
116.98590	62.4
119.08489	9.7
121.10030	7.4
123.04382	85.0
128.06181	9.3
129.06941	30.7
131.04817	13.7
131.08470	26.5
133.06413	8.4
134.99626	46.6
141.06975	13.1
143.08545	25.7
145.06441	29.8
145.10129	16.3
149.05911	25.9
151.07527	14.5
153.06966	13.4
155.08490	15.4
157.06456	27.2
157.10165	10.1
158.30675	6.6
159.07982	31.7
160.05078	47.9
161.05920	92.1
163.07503	11.8
163.11086	10.1
163.58739	8.2
165.06960	13.0
166.07729	8.9
167.08549	26.1
169.06490	8.3
171.07997	8.1
173.05959	48.3
173.09572	7.4
174.06688	9.0
175.07462	65.5
176.04700	10.7
177.05424	14.1
177.09120	7.2
180.09253	12.7
181.06512	22.1
181.10056	16.4
183.07977	14.6
185.05959	13.4
185.13191	9.6
186.06697	12.3
187.07545	48.2
188.08345	11.2
189.09067	95.2
194.07262	7.6
195.08012	29.5
197.05937	14.7
197.09587	15.0
198.06693	9.9
199.07520	14.3
201.09053	100.0
203.10593	9.6
205.08476	25.6
208.08737	9.4
209.09615	10.9
210.06621	25.9
211.07471	15.8
211.14665	8.0
212.08339	12.9
213.09056	49.5
215.07028	7.3
215.10568	29.4
215.31734	7.7
217.12086	7.6
219.10086	77.2
223.07449	33.6
223.11098	14.6
225.08990	10.6
227.10603	15.6
229.12328	8.6
230.09314	15.8
231.10147	10.1
237.12619	14.2
238.09782	49.1
239.10600	11.4
239.14127	8.2
241.08351	7.7
241.12149	61.9
255.13676	29.3
256.10699	8.6
257.15228	67.3
259.13132	39.6
267.13748	26.2
285.14844	32.1
297.10019	56.9
315.11035	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.1
53.51651	0.7
55.01849	2.0
55.05492	1.1
57.03412	4.8
61.02890	7.1
67.05470	9.5
69.03401	14.8
69.07029	1.0
69.17469	0.6
71.04951	1.9
71.60542	0.6
72.08090	0.9
73.02873	3.8
79.05464	7.4
81.03387	9.1
81.07027	9.9
85.02872	71.2
85.06478	0.9
86.02396	1.2
91.05434	1.8
93.05745	1.3
93.07017	0.9
94.06558	2.6
95.04916	4.9
95.08554	1.6
96.04464	0.9
97.02849	41.0
97.06435	1.2
99.04401	1.5
100.89684	1.0
103.03918	5.9
107.07295	1.0
108.08083	20.1
109.02849	11.8
109.06448	1.9
110.06020	1.4
112.07573	1.2
115.03774	0.8
121.10075	0.9
122.05997	6.2
122.09599	1.1
125.05942	10.3
126.05453	9.9
126.09124	5.6
127.03893	11.5
136.07527	31.3
140.07021	37.4
145.04916	12.4
150.09099	7.6
152.07014	24.6
152.82574	0.9
154.08575	8.2
157.12154	1.1
163.05936	4.9
164.07005	36.5
174.09126	1.1
178.08559	23.3
182.08060	100.0
192.10182	1.0
200.31378	0.9
202.08528	0.9
206.08051	41.2
211.44017	0.8
218.08035	4.3
236.09161	3.3
248.09021	9.2
266.10141	1.1
284.11121	1.6
301.11639	1.1
302.12253	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86869	0.7
56.96546	9.0
57.03401	2.1
59.27911	0.7
61.02896	3.5
65.07426	0.8
69.03400	6.1
70.06546	1.0
71.04953	1.1
73.02878	2.1
81.04496	8.4
84.04478	1.1
84.08112	1.3
84.96015	1.6
85.02866	8.9
97.02865	5.7
98.97556	9.5
101.00853	2.1
110.07137	5.7
112.99010	0.9
116.98613	5.0
119.01895	8.5
122.06013	0.9
125.07058	1.4
127.04973	1.3
129.03073	5.4
131.00114	3.3
131.01868	1.4
133.03464	5.8
134.99606	1.1
135.03235	0.9
136.06148	5.6
137.02907	1.5
143.00131	1.8
143.01811	1.8
145.03413	3.9
146.99692	1.1
147.04982	0.9
149.01157	1.0
151.04462	1.1
155.01889	1.4
156.06480	1.0
157.03444	3.1
157.04688	2.0
157.06985	1.0
157.09708	1.6
158.99673	0.9
159.05058	1.1
161.01196	2.1
161.02901	4.2
173.02850	2.1
175.04512	1.7
177.00624	1.1
179.02280	1.4
187.04491	1.0
219.01645	1.1
221.04967	6.0
223.06592	1.7
237.02646	1.6
241.07718	1.1
245.06306	1.3
257.05017	1.2
259.06656	3.6
273.09515	1.1
301.08926	8.8
318.60944	1.5
319.09930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	0.4
56.96546	8.7
60.11277	0.3
61.32042	0.3
71.95243	0.7
77.76922	0.3
97.02853	0.5
98.97545	100.0
99.23332	0.3
103.11592	0.3
113.03466	0.6
116.98580	84.8
117.98915	0.4
119.01817	0.3
134.99609	53.0
136.00067	0.5
140.00136	0.4
153.00644	8.1
153.87650	0.3
158.01210	0.5
164.18764	0.4
177.00873	1.9
178.00961	0.4
179.00623	6.0
190.95316	0.5
192.98596	0.9
194.43475	0.4
204.02592	0.9
205.02211	5.5
206.25656	0.4
206.56407	0.4
208.96170	0.4
216.98682	0.4
219.01904	2.2
220.02159	0.5
221.01743	0.8
230.93196	0.6
234.99709	2.1
235.02933	0.5
240.98415	3.2
244.96211	0.4
247.03220	0.7
253.04173	0.6
254.93195	0.8
258.99646	33.8
259.99799	0.9
263.02798	0.5
263.65222	0.4
272.94153	3.1
274.97369	1.9
277.00717	84.7
278.00916	5.9
279.01184	0.5
282.01279	0.5
282.19919	0.4
290.95468	2.5
291.02606	0.4
292.98395	1.7
294.05911	0.4
294.98584	0.5
295.01718	1.5
295.05368	2.7
300.02261	0.8
301.00818	0.9
336.98486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	0.4
56.96546	8.7
60.11277	0.3
61.32042	0.3
71.95243	0.7
77.76922	0.3
97.02853	0.5
98.97545	100.0
99.23332	0.3
103.11592	0.3
113.03466	0.6
116.98580	84.8
117.98915	0.4
119.01817	0.3
134.99609	53.0
136.00067	0.5
140.00136	0.4
153.00644	8.1
153.87650	0.3
158.01210	0.5
164.18764	0.4
177.00873	1.9
178.00961	0.4
179.00623	6.0
190.95316	0.5
192.98596	0.9
194.43475	0.4
204.02592	0.9
205.02211	5.5
206.25656	0.4
206.56407	0.4
208.96170	0.4
216.98682	0.4
219.01904	2.2
220.02159	0.5
221.01743	0.8
230.93196	0.6
234.99709	2.1
235.02933	0.5
240.98415	3.2
244.96211	0.4
247.03220	0.7
253.04173	0.6
254.93195	0.8
258.99646	33.8
259.99799	0.9
263.02798	0.5
263.65222	0.4
272.94153	3.1
274.97369	1.9
277.00717	84.7
278.00916	5.9
279.01184	0.5
282.01279	0.5
282.19919	0.4
290.95468	2.5
291.02606	0.4
292.98395	1.7
294.05911	0.4
294.98584	0.5
295.01718	1.5
295.05368	2.7
300.02261	0.8
301.00818	0.9
336.98486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08400	0.6
51.08721	0.6
53.03931	1.6
54.12943	0.7
55.01847	4.5
56.56371	0.8
57.03415	9.7
59.79832	0.7
61.02907	13.7
64.00938	0.7
67.05489	1.2
69.03407	30.9
69.07034	1.1
70.18448	0.9
71.04958	3.5
73.02898	6.8
79.05463	3.7
81.03387	13.2
81.07018	1.6
83.01303	0.9
85.02876	100.0
87.04433	3.8
87.54720	1.1
91.03905	5.3
91.05434	7.1
93.07023	7.4
95.08572	2.1
96.04463	4.5
96.08099	3.8
97.02847	27.3
97.05222	2.0
97.06490	1.5
99.04424	4.8
103.03932	1.0
103.05424	25.0
109.02855	7.3
109.06459	1.4
110.06007	9.8
110.09639	5.6
111.08027	1.4
114.97678	0.8
115.12725	1.0
117.06993	0.9
120.08086	1.6
121.06455	72.9
126.09115	12.6
127.03871	16.8
138.08038	1.2
138.09088	28.8
138.10104	1.3
139.07487	4.1
145.04913	21.1
156.10147	86.6
163.05983	4.7
233.56233	1.2
247.09692	1.1
265.10641	1.7
300.21661	1.4
318.15439	1.6
318.22562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25639	0.2
51.61281	0.2
53.03915	0.7
55.01840	0.6
55.05495	0.3
57.03418	2.2
59.04993	0.3
60.12120	0.2
61.02897	2.5
67.05459	0.6
69.03400	6.4
69.07039	0.3
71.04953	0.7
73.02876	0.6
74.06060	0.4
79.05450	0.5
81.03379	1.8
81.07003	0.3
84.04469	0.4
85.02870	20.4
86.09673	2.0
91.03886	0.3
91.05434	3.5
93.07001	8.4
95.04916	1.1
95.08568	1.4
95.71735	0.3
96.04453	1.2
96.08100	0.5
97.02855	6.4
97.05222	1.1
97.17195	0.3
99.04386	1.4
100.07526	0.4
102.55698	0.3
103.03941	0.5
103.05424	4.5
107.04907	0.4
109.02838	1.6
109.06485	0.3
110.06004	1.6
110.09637	1.9
117.06999	0.4
121.06454	100.0
126.09122	3.3
127.03857	3.1
128.10602	0.5
129.44913	0.3
131.08566	0.3
133.06419	0.3
135.07974	0.7
138.05450	0.6
138.09111	6.6
139.07491	5.9
145.04868	2.6
145.06444	0.5
151.07498	0.3
156.06586	0.3
156.10141	19.3
159.07974	0.3
163.07411	1.1
168.10117	0.5
180.08636	0.5
180.10133	0.4
187.07462	0.6
205.08604	0.5
247.09575	1.2
286.96872	0.3
300.21579	0.4
318.15564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.8
55.01847	1.9
57.03421	3.1
61.02647	0.4
61.02906	6.0
63.05734	0.4
67.05473	0.4
69.03405	9.8
71.04969	1.1
71.47738	0.4
73.02880	2.4
81.03400	3.9
85.02876	43.3
87.04424	0.9
91.03909	2.7
93.07024	0.7
95.04930	56.7
97.02854	11.1
99.04418	1.7
103.05541	0.4
105.04467	1.0
109.02852	3.7
121.02819	30.8
121.06455	14.0
127.03874	6.1
136.77359	0.5
138.05435	1.8
138.09052	0.8
139.03853	100.0
139.07472	2.6
145.04897	8.2
156.10158	2.7
163.05956	1.0
180.08597	2.6
187.07507	0.9
205.08517	0.6
229.08646	0.6
231.67336	0.4
257.86136	0.5
265.10641	0.6
283.07971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
54.30104	1.2
55.01204	1.1
55.01865	1.5
57.03411	5.6
61.02902	13.0
69.03406	23.6
70.06565	6.8
71.04971	3.3
73.02886	2.7
79.05505	1.5
81.03403	10.1
85.02876	100.0
87.04413	1.7
90.27123	1.3
91.03912	5.6
91.05451	6.3
93.07001	35.1
97.02854	22.6
99.04433	2.7
103.03888	2.0
103.05437	1.6
105.06998	2.4
109.02843	6.8
109.78756	1.1
111.45673	1.4
121.06454	97.3
127.03884	19.0
131.08574	1.6
134.08591	1.3
138.05406	1.7
138.09094	2.0
139.07498	1.6
145.04922	17.3
156.10222	2.9
159.07974	2.3
163.05939	5.4
179.06947	1.4
187.07419	13.7
205.08612	5.5
217.08473	1.6
247.09528	3.2
265.10571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01849	1.2
57.03422	7.3
60.42375	1.0
61.02905	11.7
62.87041	0.8
64.32562	1.2
65.35262	1.0
69.03409	18.3
70.06548	7.0
71.04520	0.8
71.04952	4.7
71.32928	0.8
73.02885	4.8
81.03383	8.6
85.02875	100.0
87.04442	1.9
91.03915	4.3
91.05463	1.6
93.06996	5.3
95.04961	1.3
97.02852	21.9
99.04430	1.6
103.05414	1.5
109.02857	8.4
117.00578	0.9
121.02827	14.5
121.06462	63.7
121.07338	2.1
127.03864	16.2
129.07014	1.0
139.03833	10.3
141.06931	1.0
145.04932	20.1
145.06422	1.6
156.93999	1.2
159.08029	1.8
163.05965	4.7
175.07451	2.2
187.07477	14.1
196.64134	1.0
205.08493	4.4
229.08492	1.9
247.09540	4.0
278.15521	0.9
283.43701	1.4
294.30954	1.2
341.25552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20119	0.3
51.48670	0.3
53.03912	2.8
54.07809	0.3
55.01844	1.6
57.03405	2.4
58.87080	0.4
61.02904	5.7
67.05473	0.9
69.03038	0.4
69.03407	10.9
71.04947	0.6
73.02872	3.0
80.44863	0.5
81.03387	4.3
85.02876	37.6
87.04424	1.9
91.03902	2.3
92.09282	0.5
95.04929	54.7
97.02849	11.7
99.04411	0.9
109.02856	2.6
111.04423	0.7
115.54304	0.4
121.02827	27.3
121.06469	12.7
127.03849	5.8
132.16505	0.5
138.05424	1.0
138.09113	0.6
139.03854	100.0
139.07481	2.8
145.04886	5.3
156.10144	0.7
163.06038	0.8
180.08534	1.6
187.07527	0.8
190.27789	0.4
240.50520	0.5
246.39890	0.5
265.10391	0.5
318.15588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.1
53.03922	0.3
63.26387	0.2
75.79019	0.2
85.02877	0.3
87.60596	0.2
91.05450	2.4
92.09377	0.3
93.07014	5.8
95.04923	1.3
98.97543	0.4
100.70494	0.2
103.05427	3.0
105.04454	0.2
108.77499	0.2
110.06025	0.2
115.03971	0.1
116.98615	0.2
121.06464	100.0
122.35503	0.2
138.05476	2.3
138.09100	14.2
156.06493	1.0
163.03851	0.8
206.51527	0.2
264.71985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2102
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03905	4.2
55.05498	32.4
56.96554	5.7
57.07048	21.9
57.18878	4.0
59.04966	6.9
67.05482	76.3
69.03389	5.7
69.07024	25.2
70.06548	10.4
71.04974	4.4
79.05445	23.5
81.07024	51.0
83.08575	17.5
88.07588	8.1
91.05454	33.8
93.07016	39.9
94.09833	4.7
95.01889	5.9
95.04950	34.7
95.08560	43.4
97.06490	7.1
100.02445	53.2
102.09153	5.4
102.42257	4.4
105.07005	43.0
107.08543	63.3
109.06475	26.7
109.10119	100.0
117.06921	11.0
118.03482	45.9
118.04218	3.7
119.08536	82.9
120.27672	4.6
121.06454	6.0
121.10079	24.1
123.03999	6.6
123.08028	33.6
129.06949	6.8
131.08530	23.3
133.10088	25.6
135.07962	10.6
137.09589	37.5
141.05026	9.9
143.08481	8.9
145.10089	25.8
147.11673	10.8
149.09607	7.2
151.07463	46.0
157.10043	9.4
159.11606	9.2
161.09612	7.3
171.11656	18.1
175.11206	8.0
175.14651	5.4
177.08923	5.6
185.13150	5.8
188.11627	4.5
189.12730	17.1
207.13731	9.9
219.47916	4.5
224.21397	4.2
241.19536	7.3
256.26245	28.7
295.18518	4.9
299.20190	7.7
316.28491	5.9
317.20917	65.1
317.27948	6.0
318.30005	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	317.195
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.55721	0.6
53.03922	1.4
53.33234	0.5
54.81195	0.6
55.01851	1.0
55.05245	0.6
55.05494	13.8
57.03413	3.8
57.07058	17.6
61.02898	1.1
64.32818	0.6
65.03890	0.6
65.22193	0.5
67.05482	22.2
67.92061	0.6
68.30177	0.6
68.49967	0.5
69.03397	6.0
69.07042	27.4
71.04939	0.8
71.08601	2.8
73.06508	2.5
79.05453	6.8
81.03390	3.2
81.07025	100.0
83.04965	1.4
83.08588	4.6
83.36686	0.6
85.02869	12.0
85.06513	31.1
91.05438	1.6
92.22160	0.7
93.07009	8.4
95.04925	4.0
95.08570	82.4
97.02865	5.6
97.06503	1.4
97.10106	1.3
99.08046	4.2
105.06992	3.3
107.04893	0.8
107.08561	4.5
109.02874	0.7
109.06457	1.1
109.10136	8.2
111.04398	1.2
111.08020	1.4
111.11678	9.2
119.08538	2.6
121.10076	2.8
123.04356	0.9
123.08012	0.9
123.11714	0.8
125.45821	0.8
127.03883	0.8
131.08446	1.3
133.10083	1.3
135.07956	1.2
135.11650	0.9
137.05928	0.9
137.09567	0.7
137.13206	47.8
138.16435	0.6
139.11159	0.9
143.08527	0.8
145.10083	0.8
147.11467	0.6
149.13243	0.9
151.11139	0.7
153.01793	0.9
153.12611	0.6
155.14287	3.1
159.11606	0.8
161.13255	0.6
165.09077	0.8
167.14191	1.1
177.12700	0.9
239.16382	1.3
263.16205	0.8
281.17416	2.9
317.06372	5.3
317.19482	0.7
320.98657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1013
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
52.63186	0.3
55.01840	0.3
55.05470	0.4
55.07724	0.3
59.98160	0.3
61.50583	0.3
65.41222	0.3
66.43154	0.3
67.01515	0.3
67.01839	5.1
68.99752	0.8
69.03432	0.4
71.04964	0.4
79.05432	0.7
81.03370	0.4
81.07031	0.5
83.04961	0.4
89.03883	10.5
91.05427	1.7
93.06998	0.6
93.99039	0.4
99.04428	0.7
100.70715	0.3
105.06974	0.3
107.08533	0.4
111.04413	5.1
114.77151	0.4
117.03336	11.8
121.06475	0.7
122.03548	0.5
123.04404	0.5
125.02279	2.0
125.05945	1.6
131.04858	0.4
133.06406	0.3
134.03555	2.5
135.04373	8.6
137.05943	5.2
139.03821	0.4
141.05374	0.5
145.02809	11.6
149.05931	12.3
151.03886	0.6
151.07544	0.5
153.05453	0.5
162.03059	0.5
163.03847	12.8
165.05388	1.6
167.03337	100.0
173.05971	0.4
177.05406	54.1
180.04150	0.4
185.04387	6.5
193.04927	5.6
201.05429	1.5
219.06393	1.2
299.09164	0.4
301.07114	0.4
317.10095	37.9
338.21777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39573	1.2
56.96542	2.7
57.03426	2.3
65.03922	11.6
69.03408	11.1
70.06554	3.4
79.05479	1.7
81.03387	2.9
84.08118	1.5
85.02881	10.9
86.45549	1.3
92.57565	1.2
93.03362	12.2
97.02871	3.5
98.97508	10.1
101.45041	1.5
107.04914	14.7
107.81590	1.2
109.02842	2.7
110.97540	1.7
111.04406	54.8
116.98550	2.4
123.04408	3.0
127.03960	1.6
128.98586	2.0
134.99553	1.8
135.04387	11.9
137.02246	18.8
139.03847	2.2
144.79848	1.2
146.99689	1.6
153.05417	5.9
155.03172	100.0
155.08134	1.8
163.03865	7.5
170.99626	2.2
185.04114	21.9
237.02779	5.8
256.01801	1.6
279.07455	9.0
297.08768	1.6
317.08356	82.5
317.11926	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	317.0838
Annotation	2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
Peak:m/z	Relative Intensity
56.96552	3.3
57.03429	1.7
58.55629	1.3
61.02898	2.0
65.03925	11.9
69.03400	6.9
70.06580	3.0
81.03409	2.9
84.08104	1.9
85.02853	13.9
86.09663	1.7
91.05449	1.5
93.03387	10.6
97.02869	6.9
98.97572	10.6
102.73246	1.7
107.01754	2.0
107.04960	9.1
109.02867	3.3
111.04411	55.8
116.98587	3.1
119.01865	2.1
123.04409	2.1
129.83977	1.6
133.99901	1.6
135.04407	6.3
137.02278	16.6
145.04947	1.7
146.99611	2.5
147.04422	3.5
152.16544	1.5
153.05479	2.1
155.03178	100.0
163.03885	4.1
172.95168	2.3
185.04153	22.0
185.05632	2.1
197.01187	2.1
237.02780	3.2
239.83302	1.6
268.85626	1.6
279.07510	2.3
317.08405	80.4
317.11984	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	317.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26152	6.9
55.05508	10.2
55.32055	6.2
56.96544	36.3
57.03416	56.8
59.04970	9.8
59.44427	6.2
60.01283	6.3
61.02897	49.4
67.05484	9.5
69.03400	59.5
70.06555	15.7
71.04969	33.5
73.02890	13.8
73.46127	6.6
75.40802	6.9
81.00040	6.3
83.04962	46.2
83.31160	6.1
84.04465	6.3
84.08109	17.1
85.02884	82.1
86.06022	8.6
86.09633	12.0
86.49450	7.1
89.03842	8.1
91.44553	6.6
94.75864	7.8
96.70897	8.0
97.02853	36.9
98.97549	71.1
99.04411	9.7
101.05413	6.7
101.05970	71.6
107.04922	7.1
111.02019	11.7
111.04400	14.8
112.07612	14.8
112.99020	8.0
115.98392	7.0
116.98575	42.1
119.01860	56.5
121.01649	9.4
125.07061	13.5
127.03886	17.5
129.03036	46.1
130.98906	35.1
131.02689	13.0
136.06111	10.4
137.02802	11.9
137.08090	10.5
138.03659	12.8
143.01816	11.5
143.99661	18.5
145.03534	8.2
146.91801	15.6
149.01067	10.9
153.00174	59.3
153.06508	13.1
153.17641	7.2
155.03137	32.2
157.03387	18.3
158.03365	6.6
158.99538	24.8
161.01163	11.2
161.02916	16.2
163.03839	37.7
171.07542	16.3
172.95154	12.8
173.01192	8.4
185.02821	9.5
187.04503	10.4
187.72066	8.8
188.04463	9.0
189.06078	15.4
191.06522	8.3
214.04059	12.2
226.03033	54.1
239.04353	40.7
243.72859	9.3
251.02402	10.4
252.02402	11.1
257.05341	15.6
273.07742	8.5
285.05649	36.0
316.18494	11.3
317.06079	100.0
317.08508	84.9
317.12079	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	316.284
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.42094	0.5
55.05495	7.2
56.05022	5.9
57.03386	0.7
57.07041	2.9
60.04504	100.0
61.54997	0.5
65.27953	0.5
65.70677	0.5
67.05483	9.3
69.07054	6.3
72.04471	2.5
74.06041	2.6
79.05480	5.0
80.04967	0.8
81.07034	8.6
82.06548	1.4
83.04935	0.7
83.08585	3.7
86.06025	0.9
87.04445	1.0
90.05470	0.6
91.05436	2.6
92.09294	0.7
93.06999	3.8
95.08578	9.4
96.08157	0.6
97.10108	1.1
105.06990	2.3
107.08554	2.6
109.10131	3.4
112.07549	0.6
119.08511	0.7
121.10103	1.2
123.11633	0.7
133.10094	1.0
135.11595	0.7
160.42291	0.5
193.83591	0.6
250.25345	1.1
262.25122	0.8
280.26248	7.4
298.27277	10.2
299.25772	0.6
316.28372	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2839
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03911	0.8
55.05497	8.6
55.93093	0.8
56.96558	8.2
57.03408	5.6
57.07043	1.6
58.06567	3.5
64.32092	0.9
65.03896	0.9
67.05479	11.5
69.03392	1.0
69.07037	7.9
70.06557	3.4
71.08587	5.7
71.95663	0.8
72.07740	1.9
72.08127	55.4
75.07538	0.8
79.05463	10.3
80.07424	0.8
81.07030	16.7
83.04954	1.3
83.08615	3.2
84.08112	9.7
85.02861	1.1
85.06473	1.2
85.08899	10.5
85.10144	1.6
86.09661	1.4
90.16653	0.9
91.05457	1.5
93.07021	9.4
95.04889	1.0
95.08575	15.5
97.06495	6.7
97.10127	2.0
98.09658	11.8
98.97550	4.4
99.08065	1.6
105.06979	4.5
107.08582	6.4
109.10103	3.4
112.11145	1.3
113.09602	1.4
116.98569	1.6
119.08546	3.8
121.10141	6.9
124.11199	1.1
135.11642	1.8
143.00153	1.8
151.97163	0.9
152.14256	0.9
161.01144	1.9
161.41888	1.0
163.03859	1.9
168.17404	17.9
170.99582	1.2
173.02303	3.3
212.60809	0.9
215.06950	1.7
249.02802	1.4
259.09650	3.0
260.09995	1.3
269.40442	1.0
280.26208	6.1
298.27313	49.3
316.28360	100.0
317.11026	1.0
317.28839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2523
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.01852	1.7
55.05252	1.2
55.05498	25.3
57.03407	1.9
57.07049	4.8
59.04968	1.1
65.03902	1.3
67.05484	86.3
69.07045	28.8
71.04961	8.7
79.05008	1.2
79.05460	23.6
81.07027	100.0
83.04951	1.5
83.08596	14.3
85.06518	6.5
91.05459	14.4
93.07014	26.4
95.04917	0.9
95.08571	85.1
97.06505	6.1
97.10138	6.5
98.97548	1.1
99.08051	1.8
105.06998	11.4
107.08556	16.1
107.40411	0.7
109.06488	1.6
109.10124	36.0
111.08042	1.9
112.86664	0.7
117.06997	1.9
119.08540	11.9
121.10092	15.7
123.08044	1.3
123.11643	14.7
125.09546	1.2
129.47238	0.9
131.08534	5.7
133.10059	7.5
135.11647	12.5
137.09602	1.4
137.13170	5.8
139.11140	0.9
145.10080	4.7
147.11584	7.4
149.09505	1.1
149.13255	4.1
153.12622	0.8
159.11661	4.5
161.13185	7.0
165.12706	1.0
173.11661	5.2
173.13203	3.6
179.14224	0.9
181.12140	0.8
187.14743	3.1
209.15256	0.9
214.23491	0.8
231.71115	0.9
243.21025	5.0
248.07249	0.8
261.22028	12.5
279.23096	31.7
297.24051	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	316.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62300	0.5
53.03926	0.8
54.84110	0.5
55.01848	1.2
57.03411	1.3
57.07049	1.0
61.02902	4.1
65.03904	0.5
68.21876	0.5
69.03400	10.1
70.06560	1.0
72.08126	1.2
72.42716	0.6
73.02885	0.9
79.05449	1.2
80.04964	0.7
81.03391	4.5
81.07029	5.3
82.06532	1.4
84.08116	3.2
85.02878	27.2
85.06520	1.4
86.09673	4.8
87.04437	1.4
91.05451	6.9
93.05753	1.2
93.06982	1.2
93.10514	0.5
95.04935	0.7
96.08075	0.8
97.02833	8.9
99.04443	4.4
102.09146	2.5
108.08083	30.8
109.02866	2.4
109.06486	0.8
115.03888	3.9
119.04916	0.8
123.06736	1.3
124.07550	23.7
126.09225	0.6
127.03865	4.3
136.07533	18.6
137.05934	100.0
137.85373	0.5
145.04897	0.8
154.08578	70.9
159.06470	4.3
162.05435	7.8
163.03745	0.8
176.09195	0.9
178.08575	0.7
216.12189	6.9
316.13974	1.5
316.21130	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	315.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47490	1.1
53.03926	3.2
55.01863	1.6
55.05294	1.1
55.05499	16.9
57.03404	7.6
57.07040	7.0
58.62822	1.3
59.04965	1.7
61.02892	3.4
63.19391	1.2
67.05485	20.5
67.14069	1.2
69.03404	18.3
69.07053	13.6
71.01337	1.3
71.04962	2.3
79.05471	21.6
81.03380	7.1
81.07030	63.0
82.75749	1.3
83.04965	15.6
83.08586	3.0
85.02878	27.4
85.06503	1.5
87.04415	2.3
91.05447	29.9
93.07012	100.0
95.04942	11.4
95.08577	57.5
97.02864	7.0
97.06492	8.7
99.04420	3.2
105.06995	19.8
107.04944	1.4
107.08561	99.5
109.02827	2.3
109.06469	7.5
109.10139	14.4
111.04414	1.8
117.06963	2.2
117.73577	1.4
119.08555	7.9
121.10114	2.9
123.04383	1.9
123.08038	1.7
123.11657	42.4
127.03833	1.8
129.05434	2.4
131.08510	6.8
133.10106	3.2
135.07980	1.5
135.11652	36.7
137.13213	2.5
141.59996	1.6
143.08530	2.9
145.10095	2.5
147.11655	2.7
151.11137	6.1
153.12692	6.0
157.10120	2.5
165.12741	3.1
206.86485	1.4
230.24355	1.6
237.00371	1.6
261.14719	2.6
279.16113	1.7
291.63477	1.6
297.16919	2.2
310.96689	1.5
315.17825	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	315.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	4.2
53.03920	5.4
54.80916	4.1
55.01853	24.3
55.05500	56.9
57.02819	3.8
57.03423	39.9
57.07072	5.8
61.02895	18.6
62.61488	4.6
67.05474	30.9
69.03411	47.4
69.07040	29.1
71.01336	6.2
71.04964	45.9
73.02890	23.3
79.05458	35.5
80.29823	4.0
81.03377	22.5
81.07034	79.1
83.04975	6.2
83.08615	7.2
85.02882	75.9
86.60285	3.9
87.04440	7.7
87.43922	4.8
91.05454	64.8
93.07027	88.7
95.04925	21.2
95.08566	37.5
97.02854	25.2
97.06464	5.8
102.41946	4.5
105.06997	70.3
107.04929	10.7
107.08553	100.0
109.06496	44.9
109.10110	37.7
111.08066	6.6
115.03922	6.6
115.05402	5.8
117.06971	26.1
119.08535	50.6
121.06445	10.1
121.10082	17.5
123.08023	24.1
127.03841	5.4
129.06923	8.4
130.07724	4.5
131.08530	31.3
133.04909	10.3
133.06427	7.2
133.10121	6.3
134.92056	4.3
135.08005	21.8
135.11642	36.9
137.09532	7.3
144.09267	5.3
145.10118	18.5
147.08017	29.2
147.11609	8.2
149.09647	7.5
151.11267	7.0
153.07245	6.4
153.12701	10.2
159.11624	7.3
165.12694	55.5
173.09566	21.7
177.12770	6.9
189.12639	7.2
219.13654	10.4
231.13799	6.9
261.14755	7.8
279.15775	8.3
315.17902	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	315.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	4.2
53.03920	5.4
54.80916	4.1
55.01853	24.3
55.05500	56.9
57.02819	3.8
57.03423	39.9
57.07072	5.8
61.02895	18.6
62.61488	4.6
67.05474	30.9
69.03411	47.4
69.07040	29.1
71.01336	6.2
71.04964	45.9
73.02890	23.3
79.05458	35.5
80.29823	4.0
81.03377	22.5
81.07034	79.1
83.04975	6.2
83.08615	7.2
85.02882	75.9
86.60285	3.9
87.04440	7.7
87.43922	4.8
91.05454	64.8
93.07027	88.7
95.04925	21.2
95.08566	37.5
97.02854	25.2
97.06464	5.8
102.41946	4.5
105.06997	70.3
107.04929	10.7
107.08553	100.0
109.06496	44.9
109.10110	37.7
111.08066	6.6
115.03922	6.6
115.05402	5.8
117.06971	26.1
119.08535	50.6
121.06445	10.1
121.10082	17.5
123.08023	24.1
127.03841	5.4
129.06923	8.4
130.07724	4.5
131.08530	31.3
133.04909	10.3
133.06427	7.2
133.10121	6.3
134.92056	4.3
135.08005	21.8
135.11642	36.9
137.09532	7.3
144.09267	5.3
145.10118	18.5
147.08017	29.2
147.11609	8.2
149.09647	7.5
151.11267	7.0
153.07245	6.4
153.12701	10.2
159.11624	7.3
165.12694	55.5
173.09566	21.7
177.12770	6.9
189.12639	7.2
219.13654	10.4
231.13799	6.9
261.14755	7.8
279.15775	8.3
315.17902	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	315.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01852	2.0
55.05501	6.3
56.21889	0.5
56.96547	17.6
57.03420	7.3
58.03749	0.5
59.04964	1.0
61.02904	6.9
66.03417	0.6
67.05480	0.6
69.03403	12.3
69.07037	0.5
69.40266	0.4
70.06545	0.8
71.01315	0.7
71.04965	6.7
73.02889	3.6
74.97548	0.5
75.04440	0.7
76.57980	0.5
79.05492	0.5
81.03376	2.8
83.04946	3.1
84.96011	2.4
85.02879	19.0
86.03192	2.7
86.09676	5.1
87.04430	1.9
87.09998	0.7
89.05989	3.0
95.01294	2.7
96.01535	0.5
97.02859	7.4
98.01230	0.9
98.03156	0.7
98.97536	16.0
99.04418	8.9
100.04722	0.9
101.00832	2.2
101.02365	0.8
102.02378	1.0
105.02094	0.5
107.06034	5.6
108.08062	0.8
109.02860	2.4
109.07577	0.7
110.97514	1.1
111.00163	0.6
112.99104	2.1
113.02325	3.2
116.98568	9.7
117.05462	4.6
118.05793	1.2
119.01869	6.4
120.01978	0.8
125.03613	0.7
127.00636	0.5
127.03870	13.8
128.04228	0.6
128.98586	1.2
131.00125	2.9
131.01810	3.9
131.03415	0.7
132.10185	0.9
133.01605	0.8
133.03435	2.9
134.05948	1.1
134.99614	4.1
135.05531	13.1
136.07573	0.8
137.02740	0.5
140.04958	0.8
141.02139	0.7
142.96355	0.7
143.00124	3.0
143.01852	2.1
144.03358	0.8
145.01643	1.2
145.03374	3.9
145.04910	4.9
146.03471	0.5
146.99597	0.8
147.03101	1.0
147.05049	0.6
149.01181	1.0
149.02917	0.9
151.04524	0.6
152.07042	0.8
153.06548	100.0
155.01801	0.8
157.01683	0.7
157.03410	1.1
158.99635	3.0
159.03238	2.8
159.05022	0.9
161.01184	2.6
161.02898	3.0
163.02704	2.3
163.04224	0.5
164.06999	17.2
169.98337	0.5
170.05063	0.6
171.01248	0.8
173.01192	0.6
173.02942	3.4
175.02667	1.0
175.04449	2.1
177.00700	3.7
177.04237	1.9
178.04843	4.5
179.02306	0.9
181.09573	0.5
185.01245	1.2
185.02888	2.0
187.02759	1.8
189.00575	2.0
189.02399	0.8
189.04054	0.9
189.06003	0.7
191.02228	0.6
191.03899	0.7
201.06091	0.6
202.98550	0.7
203.02139	2.2
203.04039	2.2
205.00145	0.8
205.03677	0.7
212.05167	1.8
217.00133	0.6
219.01678	3.1
221.05179	2.5
221.35318	0.6
227.17177	0.6
230.97997	0.9
237.02631	3.9
247.04739	0.7
248.99063	5.3
249.99417	3.4
251.02489	0.7
255.03871	0.5
267.00146	2.9
268.00455	2.1
297.10803	0.9
315.07294	4.1
315.10522	8.4
333.08417	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1066
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
53.03927	2.7
55.01869	1.7
56.41541	0.7
57.03415	5.9
61.02898	7.8
67.49519	0.5
69.03400	15.9
69.07034	0.8
71.04967	0.9
73.02893	2.6
81.03384	6.6
81.36981	0.8
85.02874	43.6
86.03230	0.7
87.04428	2.8
89.06006	2.8
91.03936	1.7
97.02845	10.7
99.04413	1.1
99.82380	0.7
103.03887	5.8
109.02859	4.4
127.03868	4.8
135.09145	1.7
145.04938	2.8
153.05417	100.0
153.10202	4.1
163.03847	1.0
189.71971	0.7
217.57947	0.7
298.15692	0.9
315.10620	1.1
315.14011	12.6
318.34598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56874	0.6
53.03918	0.9
56.96542	1.0
57.03408	1.5
59.04982	53.5
59.79047	0.7
60.05304	5.3
61.02896	1.1
69.03394	1.7
79.05482	1.3
81.03365	1.0
84.55855	0.7
85.02883	11.2
85.30920	0.8
92.62994	0.9
95.04913	1.9
97.02840	1.9
98.97545	2.0
107.03477	0.9
107.04926	42.0
107.05650	1.9
109.02816	0.9
116.98580	1.8
117.09104	5.7
125.54503	1.0
127.03848	1.1
134.99532	2.2
135.04379	28.3
135.10100	6.8
136.10463	1.4
152.21057	1.0
152.33443	1.0
153.05319	25.8
185.04150	3.6
315.10413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40618	0.6
55.05481	4.1
56.30482	0.7
57.03415	6.5
58.06564	3.7
59.04959	1.2
67.05478	7.5
69.07015	3.1
69.59016	0.8
70.06548	4.5
71.04965	3.0
72.08122	37.2
72.87041	0.8
72.89539	0.7
79.05460	7.3
80.03885	0.7
81.07019	10.0
83.08564	1.3
84.08115	20.3
85.08880	10.5
86.09694	0.8
91.05452	8.7
92.09308	1.2
93.06999	13.0
95.04926	3.4
95.08573	6.6
97.06553	0.7
98.09644	13.8
100.11219	1.2
103.05415	1.3
104.05662	0.9
105.06972	7.0
107.04915	100.0
107.08551	4.3
109.06432	1.0
109.10096	1.9
112.11196	1.1
117.06947	1.2
119.08517	3.2
121.06452	26.5
121.10122	1.3
124.11163	1.3
131.08524	1.0
133.06424	0.9
133.10175	0.9
137.05951	3.4
146.00067	0.8
147.11592	0.8
151.07492	1.7
153.05385	0.9
159.08006	4.2
161.13168	1.1
163.07469	2.9
171.07973	1.4
177.09027	11.0
177.10425	1.0
178.26057	0.9
189.09027	9.7
189.11293	0.9
208.20515	9.4
221.87668	0.8
257.11569	1.0
272.57321	0.8
278.24756	1.6
283.13126	16.4
296.16251	4.8
296.25714	40.6
314.17365	58.0
314.26758	74.4
315.12939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.268
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
53.00257	0.7
53.03915	0.9
55.05478	4.4
56.05025	1.3
57.03404	7.3
58.06569	4.8
59.04977	1.0
64.00353	0.7
67.05484	11.2
69.07026	3.8
70.06555	1.5
71.04966	6.4
72.08121	54.5
79.05453	11.0
81.07027	12.5
83.08589	1.6
84.08112	8.3
85.08887	16.4
86.09673	1.2
89.06020	1.2
91.05446	9.5
93.06994	9.7
95.04939	1.2
95.08554	10.0
98.09655	16.3
105.07001	6.8
107.04911	5.7
107.08546	4.3
108.28815	0.9
109.10124	3.8
112.11193	2.0
117.06989	4.1
119.08507	3.3
121.06435	1.8
121.10107	3.9
124.11177	1.2
133.10110	1.3
135.11673	1.3
137.05939	1.5
138.12692	1.0
145.10167	0.9
147.11644	1.1
151.07571	1.0
161.13142	1.0
195.82147	0.8
204.03343	0.9
208.20526	10.5
211.31644	1.0
245.95724	0.8
278.24692	1.8
296.25708	49.9
296.29025	2.0
314.17389	4.1
314.26767	100.0
315.26996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
57.03419	1.3
61.02893	4.0
69.03397	5.2
69.06995	0.7
72.31915	0.7
73.02886	1.0
73.06527	100.0
85.02881	22.5
87.04427	0.8
89.05996	33.2
97.02857	8.9
107.07010	0.8
109.02894	1.0
116.98545	0.7
117.09093	7.3
127.03844	2.9
131.39029	0.8
135.10121	81.2
139.45926	0.7
145.04950	1.1
145.06436	2.8
147.04372	4.8
149.06079	0.9
173.05914	0.8
187.41351	0.7
197.05914	3.1
215.06891	0.8
243.06441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.4
55.01849	4.1
55.05477	0.9
56.49075	0.6
56.96542	4.3
57.03418	16.6
59.04983	7.1
59.50778	0.6
61.02906	8.4
64.32096	0.7
65.88200	0.7
69.03402	13.3
69.07040	1.4
71.01332	10.2
71.04966	22.6
73.02883	17.0
75.04458	6.3
77.99611	0.7
81.03380	7.7
83.04924	1.6
85.02874	46.3
86.09676	18.1
87.04422	3.6
88.11049	0.7
89.06002	14.8
91.03916	1.5
97.02863	15.3
98.97547	7.0
99.03767	1.6
99.04423	40.8
101.02348	1.1
108.08092	8.3
109.02891	2.8
110.97574	0.9
112.99104	1.6
116.98584	3.9
117.05453	100.0
119.01816	1.1
123.04385	0.9
127.03892	9.3
128.98531	0.9
131.00156	1.0
132.10127	6.0
133.04921	1.3
134.05948	0.9
134.99525	1.1
135.06470	5.3
136.07494	1.1
143.00166	1.0
145.04916	11.6
147.02980	1.2
152.07051	8.6
153.06538	8.3
158.99648	0.9
161.02942	1.4
163.05934	1.4
164.07028	1.0
175.94046	0.9
177.00685	1.0
178.04668	0.8
189.04155	0.8
219.01726	1.9
221.05119	0.8
237.02702	4.9
248.99060	1.1
261.31528	0.8
267.00089	1.1
267.62869	0.9
314.12567	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	314.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
56.96534	2.6
57.03409	3.7
59.48301	0.5
61.02905	5.0
69.03408	8.0
69.41085	0.5
71.04961	20.5
73.02876	0.9
81.03381	3.5
83.04958	0.6
85.02879	30.0
86.09669	3.3
87.04434	0.7
89.05995	100.0
91.03887	1.1
94.55563	0.5
97.02859	8.0
97.55345	0.6
98.97568	0.7
99.04417	4.3
109.02834	2.6
117.05447	3.4
117.09035	0.6
127.03885	2.9
129.05389	0.5
132.10135	0.8
135.04338	0.8
135.06491	17.9
136.06096	1.3
138.58047	0.6
145.04929	2.6
152.09126	3.2
163.03847	3.5
180.08630	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53153	0.2
53.03904	0.3
55.01846	0.7
55.05481	2.2
56.96534	1.7
57.03146	0.5
57.03418	10.8
61.01123	0.6
61.02899	2.1
62.06062	0.4
69.03401	9.5
69.07035	5.0
70.06560	0.8
71.04966	15.4
72.01463	0.3
73.02881	0.7
75.02648	0.3
75.04454	0.7
79.05437	0.3
81.03391	1.9
81.07029	7.1
83.04939	2.0
85.02879	10.7
86.99031	0.5
87.04421	2.1
89.03912	0.3
89.05997	17.9
89.13607	0.3
89.84318	0.3
97.02853	42.2
98.97550	0.5
99.04415	1.7
99.08057	45.8
103.03909	1.4
111.04427	1.8
112.04757	0.4
115.03884	0.7
115.16440	0.4
116.86329	0.3
116.98521	0.7
117.05447	0.4
117.09084	14.5
119.03525	0.5
127.03870	1.5
129.05428	1.4
135.04401	1.1
135.05415	0.5
135.06467	5.2
135.10124	9.5
136.06140	100.0
137.04535	1.2
139.03780	0.5
143.00128	0.7
143.01605	0.8
145.02850	0.6
145.04930	0.7
147.06494	0.5
148.06200	0.5
152.10652	1.7
163.03783	4.1
164.05612	6.8
178.07195	2.1
179.03691	1.4
234.06647	0.3
250.42212	0.4
261.09631	0.5
279.10773	0.6
296.08026	2.2
303.05334	0.4
314.09064	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	313.2364
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
54.81340	2.9
55.01851	14.5
55.05489	46.9
55.93329	2.8
57.03400	3.8
57.07038	3.1
67.05481	70.3
69.07038	100.0
71.04956	4.3
73.06504	15.0
79.05463	60.7
81.07025	93.5
83.04919	5.3
83.08595	19.5
85.06524	7.7
91.05446	32.0
93.07013	53.4
95.04924	6.0
95.08562	47.5
97.06487	16.7
97.10137	20.2
99.08066	5.6
105.06991	41.1
107.08549	50.1
109.10120	24.2
115.07518	13.9
117.07001	5.2
119.08549	20.5
121.10104	32.5
125.09595	17.8
131.08508	18.1
133.10092	19.0
135.11667	35.0
135.12526	4.7
143.08557	5.7
145.10049	4.3
147.11649	21.7
149.13194	6.1
157.10143	3.6
161.13194	6.1
189.11151	4.8
201.69751	3.8
259.20557	5.4
277.21634	28.5
295.22562	23.8
313.23889	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.236
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03934	4.1
54.80907	2.2
55.01857	24.7
55.05499	55.8
56.96553	3.8
57.03422	2.7
67.05484	100.0
69.03416	5.8
69.07043	54.6
71.04956	11.8
77.76933	2.4
79.05460	54.0
81.03398	4.1
81.07027	88.3
83.04948	21.9
83.08592	19.1
85.06525	3.4
85.96145	2.3
91.05450	36.5
93.07011	80.0
95.04951	4.3
95.08571	75.2
96.15751	2.2
97.06499	17.9
97.10132	24.4
98.97501	3.8
102.02565	2.7
105.06998	25.1
107.08568	40.2
109.06500	4.6
109.10114	46.3
109.70391	2.5
116.98575	4.7
117.06935	4.9
119.08532	25.8
121.10108	47.3
123.08029	11.6
123.11710	5.5
125.09585	14.1
131.08562	4.1
133.10091	20.4
134.99591	3.4
135.11642	28.0
137.05940	18.9
137.09573	31.1
139.11147	12.9
145.10065	10.6
151.11118	4.1
163.11151	3.1
175.14835	4.2
181.12244	5.1
189.11163	5.0
225.53813	2.5
241.19426	4.3
245.02832	3.6
249.22034	3.1
259.20355	9.3
277.18112	4.9
277.21509	46.1
295.22626	36.8
297.07538	6.2
297.67941	2.7
313.10608	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21841	2.0
53.03936	2.7
55.01875	2.6
55.05494	23.2
57.07057	6.5
58.06826	2.6
59.04982	3.6
67.05482	44.0
69.03388	3.7
69.07048	20.0
71.04954	3.6
79.05462	38.6
81.07031	47.5
83.04963	3.9
83.08601	3.5
85.06540	3.0
91.05450	62.9
93.07018	84.9
95.04936	39.9
95.08578	31.8
96.06015	2.4
97.06506	10.8
103.05399	4.2
105.07001	100.0
107.08555	38.8
107.47980	3.0
109.06502	10.6
109.10123	20.0
115.05455	3.9
117.06995	14.1
119.08548	72.6
121.06502	16.7
121.10120	32.5
122.07294	4.3
123.07998	4.3
128.06207	11.5
129.06982	15.9
130.07779	4.1
131.08551	39.2
132.09248	3.2
133.06448	2.9
133.10098	49.7
135.07959	5.0
135.11755	3.6
137.09584	15.2
141.06950	5.0
142.07771	20.0
143.08557	34.0
144.09291	12.3
145.06487	2.7
145.10081	54.9
147.08043	4.7
147.11678	11.1
148.67018	2.4
149.09512	3.8
154.07692	3.2
155.08539	10.7
156.09282	21.9
157.10097	30.3
158.10863	20.7
159.11662	16.7
167.08589	3.7
169.10095	14.2
170.10898	12.3
171.11646	37.6
173.13193	31.8
175.11183	2.9
175.14751	4.8
179.08568	5.4
180.09155	3.3
181.10144	10.6
182.10857	6.2
183.11638	10.2
185.13223	10.5
186.13942	3.4
187.14838	4.5
193.10031	4.1
194.10944	3.3
195.11613	6.4
195.15886	2.9
196.12407	3.6
197.13260	5.8
199.14763	10.6
205.70389	2.7
209.13211	10.2
211.14619	8.5
220.12410	3.2
267.20956	3.9
275.34460	2.6
283.76846	2.7
295.20474	10.2
313.21512	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	313.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01858	3.0
55.05499	14.5
56.96539	2.2
57.03430	8.6
57.07045	2.4
61.02890	2.2
61.77613	1.3
63.96558	1.0
65.03933	1.5
65.15613	1.0
67.05483	42.6
69.03410	24.9
69.07046	7.1
71.01330	1.7
71.04973	6.7
73.02888	2.6
74.66356	0.9
79.05455	16.1
80.06267	1.2
81.03391	23.6
81.07027	75.6
83.04964	1.7
83.08595	2.4
84.95976	1.2
85.02872	15.5
85.06505	1.2
91.05463	15.0
91.43577	1.1
93.07007	31.9
95.04949	10.9
95.08572	100.0
97.02854	20.2
97.06482	8.4
99.04411	7.1
105.07008	23.2
107.04906	2.3
107.08559	34.2
107.09238	2.1
109.02837	2.7
109.06489	13.9
109.10126	22.9
111.04395	2.4
111.08018	1.5
113.02298	1.5
113.05958	6.2
117.06990	2.1
119.04868	1.4
119.08538	10.3
121.02851	1.3
121.06473	2.6
121.10113	9.9
123.08075	5.6
123.11660	57.7
125.05925	2.3
127.03857	2.8
129.06981	4.8
131.08537	5.9
133.06471	2.5
133.10043	8.9
135.04393	1.2
135.08017	6.2
135.11664	9.4
137.05919	10.9
139.07492	2.0
142.07765	1.8
143.00128	1.3
143.08517	5.6
145.10086	6.6
147.08015	2.3
147.11678	7.3
149.05835	1.9
149.09604	5.6
151.07516	2.0
151.11136	13.7
157.10043	2.9
159.11665	5.1
161.01224	1.9
161.09576	5.4
161.13156	1.5
163.03842	1.4
163.07446	1.9
163.11165	8.1
165.12807	1.8
169.12213	2.7
171.11647	1.5
173.09583	1.6
175.11150	2.5
179.06982	4.3
179.10686	1.9
181.12152	4.9
189.12735	2.0
199.11104	1.6
201.89111	1.3
213.12683	1.6
215.09120	10.4
217.12201	1.4
229.12177	1.9
247.13411	1.7
259.13254	1.8
277.14307	6.9
295.15292	8.1
313.16489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01853	4.3
55.05490	16.8
55.33292	1.9
56.96553	3.0
57.03421	8.1
57.07045	3.7
65.84065	1.7
67.05484	34.0
69.02760	1.5
69.03404	20.3
69.07039	15.7
70.40829	1.6
71.01314	1.7
71.04971	3.6
73.02876	2.3
75.74557	1.8
75.85857	1.6
79.05453	22.7
81.03375	25.5
81.07021	74.9
83.04954	3.0
83.08606	2.0
85.02867	17.9
85.06506	2.3
91.05437	17.2
92.08701	4.5
93.07002	33.9
95.04930	12.4
95.08571	100.0
97.02849	39.1
97.06519	10.1
98.97552	1.9
99.04425	7.1
105.07000	25.2
107.04924	7.3
107.08549	43.5
109.02865	2.8
109.06506	13.6
109.10119	27.6
111.04434	6.5
111.08026	3.2
113.05964	6.6
117.07001	2.9
119.04881	1.9
119.08548	18.7
121.06442	4.2
121.09394	1.7
121.10088	14.2
123.04359	2.5
123.08038	8.1
123.11661	55.3
125.05923	3.1
125.09604	2.4
127.03914	2.8
129.05379	2.0
129.06952	8.0
131.08551	10.5
133.06409	2.0
133.10039	12.5
135.04378	2.7
135.08057	2.8
135.11633	14.3
137.05898	14.5
137.09602	2.6
139.03922	2.7
143.08525	3.4
145.06447	2.1
145.10080	9.6
147.11655	8.1
149.05917	2.6
149.09612	4.0
151.07500	7.9
151.11131	12.9
153.12677	3.0
157.10071	3.6
159.08014	2.7
159.11647	7.1
161.01178	2.9
161.09575	9.2
163.07629	2.5
163.11143	11.1
165.12738	3.2
169.12128	2.0
175.11133	2.9
177.12627	2.4
179.06979	3.7
179.10571	2.6
181.12245	12.9
187.11072	3.7
189.09039	3.8
193.12292	2.9
197.08080	2.5
213.12630	2.4
215.09038	12.1
247.13223	4.1
249.02721	2.3
259.13254	4.1
267.03702	3.2
277.14288	7.0
295.15350	7.0
313.16370	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	313.1638
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
51.64377	1.3
53.03940	5.4
53.47156	1.6
55.01852	2.2
55.05492	13.8
57.03412	7.2
57.07051	3.8
61.02910	2.2
66.22662	1.5
67.05480	41.1
69.03410	20.8
69.07038	10.8
71.04965	6.9
73.02885	2.3
79.05448	15.4
81.03388	23.5
81.07024	81.5
83.08563	1.9
85.02881	17.0
91.05455	13.0
91.50773	1.6
93.07000	21.2
95.04926	11.8
95.08569	100.0
97.02860	19.7
97.06483	3.4
99.04404	8.8
105.06982	17.3
107.08564	34.0
109.02818	3.3
109.06501	12.9
109.10112	25.7
113.05989	4.1
114.16376	1.5
117.06940	2.0
119.08553	15.2
121.06414	2.4
121.10104	11.9
122.08698	1.5
123.08018	6.9
123.11656	61.8
125.05949	2.2
127.03880	8.3
129.06960	2.0
131.08490	8.6
133.06367	2.4
133.10094	12.5
135.04414	1.8
135.08008	3.7
135.11655	13.2
137.05966	12.0
142.07736	2.0
143.08481	3.4
144.71227	1.7
145.04900	2.0
145.10098	3.5
147.11649	2.9
149.09550	3.1
151.07498	3.0
151.11113	15.2
158.07228	1.8
159.08008	2.1
159.11655	2.9
160.08702	2.1
161.09531	8.1
163.11150	10.2
169.12207	3.2
173.09459	2.0
175.11081	3.4
179.10640	3.1
187.11133	2.8
189.09148	1.7
197.08051	3.0
213.12630	1.9
215.09061	13.4
229.12125	2.7
243.25090	1.6
247.13187	2.3
259.13000	3.1
277.14285	6.8
295.15286	14.4
303.09955	1.7
313.16199	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.2
55.01852	8.6
55.05493	14.4
56.96556	17.2
57.03410	5.2
57.07042	8.8
58.04627	1.8
59.04978	2.8
61.02895	2.3
67.05483	44.5
69.03388	22.7
69.07035	10.6
71.01311	2.0
71.04955	7.4
73.02893	2.8
79.05463	21.7
81.03400	23.8
81.07024	84.5
83.04951	3.5
83.08582	3.3
83.22080	1.9
85.02888	15.9
85.06528	2.1
91.05458	17.9
93.07008	33.8
95.04916	13.2
95.08567	100.0
97.02856	24.5
97.06499	8.8
98.97552	2.5
99.04423	7.7
101.36119	1.8
105.06971	27.4
107.08556	53.7
109.02862	2.9
109.06482	17.3
109.10124	32.6
111.04387	4.1
113.05995	3.0
115.07543	3.8
117.06949	2.9
119.04861	2.2
119.08544	23.1
121.06464	4.9
121.10101	12.0
123.08028	14.6
123.11655	53.3
125.05950	4.9
127.03872	3.7
129.06998	3.1
131.08490	4.2
133.06445	4.8
133.10101	18.2
135.07994	9.5
135.11644	19.2
136.83875	2.1
137.05914	9.7
137.09549	3.1
142.07669	2.8
143.08549	4.2
145.06406	2.5
145.10098	9.1
147.07982	8.7
147.11665	12.7
149.06006	2.6
149.09560	9.4
151.07478	21.9
151.11153	15.1
155.08499	2.9
159.11668	4.3
161.09537	11.5
163.07507	3.3
163.11150	16.7
165.09082	3.0
169.12274	2.7
175.11136	4.5
177.12686	3.7
179.06985	2.3
179.10533	2.6
181.12135	8.3
187.11218	2.6
189.12688	5.1
193.08560	5.1
197.07976	2.8
198.45538	2.0
207.13728	3.8
213.12723	3.0
215.09076	15.6
217.12219	4.6
229.12086	4.3
231.13863	3.4
235.13261	2.6
241.10905	3.1
247.13249	3.4
249.14784	14.5
253.11043	9.5
257.14597	2.8
259.12241	9.3
271.12042	22.4
277.14285	2.8
295.15344	9.0
312.24902	9.6
313.16254	8.6
313.19946	8.8
313.25229	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	313.1638
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03930	4.2
55.01841	2.8
55.05494	16.9
56.96552	4.7
57.03417	8.5
57.07055	2.7
59.58451	1.7
63.74813	2.0
65.17268	2.0
67.05480	40.5
69.03403	24.7
69.07036	16.0
71.04969	5.2
74.77548	2.1
79.05448	24.1
81.03393	27.8
81.07032	85.2
83.04954	4.1
83.08572	2.4
85.02870	13.8
91.05440	16.4
93.07007	37.0
95.04944	17.4
95.07954	3.3
95.08574	100.0
97.02850	36.8
97.06492	9.5
98.97518	2.1
99.04433	4.7
99.67236	2.2
105.06995	29.5
107.04918	3.6
107.08559	50.5
107.80098	1.9
109.02850	2.8
109.06481	13.4
109.10114	29.7
111.04420	3.1
111.07970	2.2
113.05959	3.2
117.06959	7.2
119.08553	20.5
121.06498	9.5
121.09313	2.3
121.10104	14.7
123.04369	3.5
123.08031	8.6
123.11656	53.3
127.03899	2.9
131.08528	4.7
133.10092	11.3
135.04469	2.7
135.08018	5.2
135.11639	13.7
137.05956	12.5
137.09512	3.8
142.07718	4.3
143.00125	3.3
143.08546	9.2
145.10112	13.0
147.11674	11.4
149.06010	2.9
149.09613	4.5
151.07495	4.8
151.11148	15.8
153.12727	4.5
155.08379	2.0
157.10112	4.2
159.11661	2.9
161.01195	3.4
161.09549	9.6
163.11139	13.9
165.12741	3.4
169.12210	4.3
173.09488	2.8
175.11107	8.4
177.12741	4.3
179.07011	2.9
181.12173	12.8
183.11679	2.2
193.12183	3.4
199.13152	2.2
215.09152	12.0
222.69470	2.4
247.13318	3.7
259.13208	5.2
277.14194	9.9
285.04480	3.0
295.15350	16.9
313.16580	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	312.1295
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
50.35173	0.2
53.03915	0.2
55.05481	0.3
57.03422	1.8
59.04965	0.4
60.61993	0.2
69.03387	1.5
69.07040	1.5
70.06547	1.5
71.04942	0.5
71.06087	0.5
72.05275	0.2
73.06526	0.2
79.51361	0.2
82.66418	0.2
82.85036	0.2
83.08589	0.3
85.02870	2.0
87.04419	0.3
88.28385	0.2
92.09309	0.3
95.37553	0.2
97.02840	0.8
97.06450	0.4
102.24415	0.2
104.45557	0.2
110.03486	5.7
110.05966	0.3
113.63758	0.2
115.03848	0.3
115.07523	3.1
115.86695	0.2
128.04498	1.3
133.08594	0.3
135.03014	0.3
136.07532	0.8
137.08157	3.2
143.04913	0.4
145.04890	0.3
150.06552	0.2
153.04031	3.3
161.05896	1.0
162.07677	1.2
165.06433	0.9
170.22595	0.2
170.58652	0.2
178.07133	0.4
180.08734	100.0
181.07079	0.2
189.05367	0.5
204.10139	0.2
217.98892	0.3
235.05917	0.5
269.62817	0.2
284.54620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66756	0.8
52.85072	0.9
53.03928	14.3
54.09322	0.9
55.01843	2.6
56.96537	2.1
57.03417	14.9
57.07076	1.2
61.02902	12.4
67.05444	1.4
69.03405	20.4
69.07035	4.8
70.02914	1.0
71.04967	27.5
73.02889	5.1
74.09690	10.7
79.05453	10.6
81.03392	8.0
82.96301	1.0
83.04948	5.5
85.02876	100.0
86.09673	1.7
87.04430	9.8
91.03919	4.2
93.03415	1.0
95.04904	1.9
97.02856	23.4
97.06500	17.1
98.97540	5.2
99.04417	5.0
105.05457	4.1
109.02844	9.2
109.42153	1.3
111.04411	10.3
111.05097	0.9
113.05971	1.4
114.06338	1.1
115.03893	5.9
115.07523	4.4
121.02838	1.3
127.03860	16.6
129.05460	4.7
133.04919	58.8
133.05945	1.9
133.08560	8.1
136.06129	5.0
139.03847	4.1
145.04927	21.8
157.04965	1.5
163.05978	6.3
186.72665	1.0
237.02763	1.4
253.86839	1.1
263.07657	3.3
325.71286	1.1
332.22495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.03024	0.4
57.03414	2.2
59.04995	0.5
61.02900	3.1
69.03400	6.5
69.07050	0.5
71.04958	1.1
72.30891	0.5
73.02889	1.2
76.01420	0.4
81.03368	4.2
85.02876	17.9
87.04434	32.6
90.02448	0.6
90.82765	0.5
97.02861	6.8
97.06464	0.5
98.98503	0.5
99.04415	0.9
102.41068	0.5
109.02837	2.5
115.03889	100.0
115.07484	3.7
120.83630	0.5
121.04977	0.5
122.42760	0.5
127.03886	5.8
133.04916	21.6
133.08551	1.0
142.56445	0.5
145.04878	4.0
150.07611	2.8
180.08595	3.3
203.59740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.6
54.81604	2.5
55.01842	3.6
55.05496	29.4
57.03410	4.9
57.07047	20.0
63.10595	3.1
67.05162	3.5
67.05488	53.2
69.07046	62.2
79.05459	36.8
81.03397	3.7
81.07020	48.0
83.08572	6.7
84.98050	2.9
91.05440	49.4
93.06432	4.0
93.07011	87.7
95.04932	71.7
95.08566	100.0
97.06483	20.9
105.06991	79.0
105.30685	3.2
107.08572	37.4
109.06474	14.3
109.10132	23.5
111.04456	5.6
111.18081	2.8
114.74055	3.0
117.06974	19.2
117.22495	3.2
119.08530	62.4
121.06433	16.3
121.10105	37.0
123.07951	10.9
123.11613	5.1
129.06935	5.7
130.07684	4.5
131.08530	26.0
133.10091	34.7
135.07988	5.5
135.11632	6.7
142.07732	12.8
143.08528	12.6
144.09386	4.1
145.10048	37.8
147.11667	15.8
153.05403	3.6
157.10051	24.1
159.11658	36.7
161.09541	5.2
169.10045	4.9
171.11618	7.2
173.13191	15.8
177.16328	4.8
182.10997	3.9
183.11630	7.0
187.14738	4.5
189.16318	5.5
197.13193	4.1
209.11685	24.7
211.14748	4.3
214.16913	3.3
215.17863	4.5
235.33435	3.4
237.11090	5.1
239.91029	3.2
311.23538	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	311.148
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
50.46801	0.8
51.14331	0.7
53.03930	4.9
55.01840	1.1
55.05483	4.8
57.03404	5.8
61.02888	1.1
64.05309	0.9
65.03899	1.0
67.05473	4.0
69.03404	24.3
71.04967	2.0
75.04439	2.0
79.05461	35.1
81.03384	8.2
81.07020	6.7
82.49055	1.0
83.04918	1.3
85.02873	9.1
91.05440	25.8
93.07005	100.0
95.04931	14.4
95.08565	6.3
97.02878	9.8
99.04370	1.4
101.02318	0.9
103.02290	1.1
103.05464	1.8
104.14748	0.9
105.04465	1.6
105.06995	18.9
107.04924	2.0
107.08561	17.9
109.02876	2.0
109.06477	2.2
109.10170	1.0
111.08041	2.4
115.05471	1.2
117.06989	1.5
119.08521	10.4
121.06431	4.4
121.10095	73.4
123.08006	1.5
127.03872	2.5
129.06929	2.5
131.08522	11.8
133.10121	1.3
139.11134	1.1
141.06990	1.0
143.08412	1.4
145.04971	0.9
145.09995	1.7
149.09569	11.7
159.08020	1.6
161.05873	1.3
161.09592	1.3
167.10614	8.0
174.06721	4.4
175.07434	1.2
189.09019	4.5
191.10558	1.5
201.09085	1.6
293.13782	10.8
311.15039	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	311.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79473	0.6
53.03921	4.0
55.01860	1.4
55.05478	3.8
57.03410	5.0
61.02887	1.1
65.03899	0.9
67.05473	4.8
69.03404	21.4
69.07030	1.4
71.04955	2.0
73.02902	1.0
75.04452	1.2
79.05460	30.5
81.03385	15.6
81.07033	8.6
85.02879	12.7
91.05444	24.1
93.07007	100.0
95.04922	10.8
95.08563	4.9
97.02865	8.7
97.06487	1.0
98.23153	0.9
99.04397	1.7
101.05982	0.8
102.08014	0.8
103.03947	0.8
103.05428	1.7
105.04491	1.4
105.06995	20.7
107.04967	1.0
107.08555	13.9
109.02843	4.9
109.06506	1.3
111.08059	1.5
116.06178	1.7
117.06934	1.5
119.08533	19.2
121.06500	3.7
121.10098	60.8
123.08045	4.1
127.03891	1.5
131.08516	8.8
133.10149	1.0
137.06017	1.2
137.31544	0.8
145.10020	1.5
147.08012	0.9
149.09567	18.8
149.13153	0.8
167.10677	5.8
293.13736	3.4
311.14926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.5
55.01858	3.6
55.05493	14.6
56.64478	0.8
56.88953	0.7
57.03423	8.1
57.07043	1.0
59.01367	0.7
61.02900	0.9
67.05482	6.7
69.03400	29.9
69.07028	4.2
71.04971	2.2
73.06510	1.8
74.05950	0.7
75.04471	1.9
75.26234	1.0
79.05458	31.8
81.02948	1.4
81.03388	25.8
81.07026	13.2
82.50259	0.7
83.04945	1.9
85.02877	14.2
91.05440	32.8
93.07005	100.0
95.04947	9.5
95.08552	9.7
97.02854	8.5
97.06516	3.7
99.04417	5.4
99.72624	0.9
103.05414	3.8
105.04532	1.0
105.06994	34.5
107.04904	1.8
107.08556	17.7
109.02821	6.9
109.06500	4.1
109.10097	3.8
111.04443	1.1
111.08065	3.3
115.05401	1.4
116.06221	3.4
117.06992	4.0
119.08537	51.2
121.06464	6.7
121.10099	89.3
123.08031	5.8
127.03910	1.9
129.06982	1.9
131.08524	10.9
133.02792	1.2
133.07617	3.5
133.10106	4.5
135.11659	1.7
137.09613	0.9
139.11148	2.2
145.10091	5.1
147.04375	1.1
147.11671	1.6
149.02289	29.5
149.09575	30.6
157.10130	0.9
159.11720	0.9
167.10674	8.0
174.76755	0.9
275.19962	5.7
283.15256	1.0
287.87292	1.1
291.37921	1.1
293.13623	8.5
293.21078	1.4
311.14691	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	310.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82059	0.5
53.03922	1.3
54.16610	0.5
55.01844	1.5
55.05487	1.4
56.96551	5.6
57.03413	4.0
61.02900	5.0
63.66441	0.5
65.68984	0.7
67.05481	11.0
68.98186	0.5
69.03407	9.8
71.01312	0.7
71.04964	74.5
73.02895	2.2
81.03386	4.7
83.04955	3.5
85.02874	44.0
85.06521	1.5
87.04462	1.0
91.03927	2.4
95.04928	34.4
97.02843	8.1
98.97532	10.0
99.04398	3.7
102.06342	0.8
109.02847	3.4
111.02039	0.9
113.02360	0.8
113.05966	100.0
116.98551	4.5
119.01844	0.9
120.02523	4.0
121.01624	1.3
127.03843	8.6
128.98524	0.8
129.03053	6.1
130.08586	0.8
131.00148	0.8
131.06985	20.4
134.99597	1.5
136.06131	1.0
138.03569	2.6
143.00130	1.2
145.03447	0.6
145.04904	6.5
146.99567	0.8
147.04387	0.8
148.09654	1.2
161.01141	1.5
163.05902	0.9
175.02487	1.0
177.00702	0.8
179.02200	0.6
214.04099	0.8
219.01686	0.7
223.06660	1.1
225.06038	0.8
239.04269	3.1
242.07524	0.8
261.65790	0.7
275.11224	1.2
293.12317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42863	0.6
53.03934	5.7
55.01842	1.4
55.05486	8.1
57.03416	6.4
59.04969	1.6
60.08047	0.6
61.02905	1.2
63.03361	0.8
67.05482	6.6
69.03401	32.3
69.07036	1.7
71.01314	0.9
71.04967	3.7
73.02885	3.6
75.04452	1.0
79.05456	35.2
79.25707	0.7
81.03387	26.8
81.07027	9.3
83.04951	1.1
83.08569	0.9
85.02870	15.2
91.05442	33.3
93.07002	100.0
95.04929	8.4
95.08558	5.5
95.80164	0.7
97.02853	10.8
99.04414	4.7
103.05373	1.3
105.04498	1.2
105.06996	27.5
107.04922	2.0
107.08549	18.0
109.02831	8.2
109.06493	3.3
109.10109	3.2
111.08043	3.9
115.05456	1.0
116.06226	3.5
117.06989	4.3
119.08538	37.4
121.06474	5.6
121.10096	81.0
122.55179	0.9
123.08017	5.1
127.03883	5.7
128.06137	0.7
129.06955	3.3
131.08513	11.6
133.07552	1.5
133.10080	5.1
143.62738	0.8
145.10078	1.4
147.11661	1.6
149.02299	9.0
149.09557	29.4
159.11682	0.8
161.09573	2.0
167.10661	5.8
275.19901	6.5
293.13705	7.3
316.58646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01855	1.1
56.65142	0.5
57.03407	3.6
57.07058	9.1
58.43245	0.4
59.04972	1.3
61.02897	6.1
65.03899	0.8
67.05479	20.2
69.03400	11.4
69.07044	1.9
71.04964	20.2
73.02883	2.4
81.03387	4.9
85.02873	47.1
85.06509	10.5
87.04416	1.0
91.03930	3.3
91.89609	0.5
92.08659	0.5
95.04928	31.7
97.02853	14.0
99.04415	1.3
101.02328	0.5
109.02825	3.7
111.04451	0.7
113.05965	100.0
114.07713	0.6
115.03850	0.5
127.03854	8.4
131.06993	77.0
145.04927	9.5
149.08054	0.6
163.05943	1.9
172.68881	0.6
293.12335	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01868	0.8
57.03411	1.3
57.07054	3.3
59.04985	0.9
61.02909	3.7
63.64562	0.5
64.32702	0.7
65.03912	0.6
67.05479	11.4
69.03394	3.7
69.07042	0.8
71.04965	100.0
73.02883	1.4
79.05387	0.6
81.03380	1.7
81.18011	0.7
85.02876	19.1
85.06523	8.7
92.09321	1.1
94.73508	0.7
95.04931	22.3
97.02866	4.6
99.08068	0.8
103.84480	0.7
109.02834	0.8
113.05968	99.3
127.03880	1.3
131.06995	72.0
136.06142	0.7
145.04921	1.6
165.37024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2779
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03929	2.4
55.01861	3.1
55.05499	40.7
56.96545	2.1
57.03403	2.1
57.06817	1.8
57.07053	17.9
59.04981	3.8
64.31647	2.0
67.05479	45.9
68.33454	1.5
69.03423	3.3
69.07044	72.6
70.97842	1.8
71.04976	7.8
71.08607	2.6
79.05472	22.1
81.07027	85.7
83.04952	3.5
83.08591	32.7
85.06503	2.9
91.05428	16.5
93.07011	53.6
95.04963	3.4
95.08572	100.0
97.06477	4.0
97.10139	8.5
105.07007	17.4
107.08554	34.3
109.06498	2.0
109.10133	30.3
111.08034	46.9
111.11705	2.2
119.04884	10.4
119.08548	8.4
121.10091	23.9
123.11677	24.5
125.09587	2.4
131.08551	3.6
133.10089	12.8
135.11658	11.5
137.09644	2.6
137.13251	3.2
139.11230	2.5
144.48102	2.2
147.04327	24.7
147.11653	4.7
147.25992	2.0
147.66605	1.9
149.13196	17.2
151.11215	2.2
151.14839	2.8
155.30106	2.2
161.13260	3.4
163.14796	4.0
164.69032	2.0
167.07707	2.0
203.17859	2.1
204.88068	1.9
259.51974	2.0
273.25647	3.8
291.26688	4.5
309.27847	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	309.2781
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.00278	0.8
53.03922	1.3
55.01862	6.3
55.05248	1.4
55.05497	30.4
57.07059	12.3
59.04966	5.5
65.03907	1.0
67.05482	40.4
69.03399	1.9
69.07043	61.7
71.04967	6.7
71.08584	1.8
73.06527	2.1
73.15403	0.8
76.09772	0.8
79.05460	14.8
81.07026	77.0
83.04930	1.8
83.08588	30.8
84.73201	0.9
85.06498	4.5
89.05985	1.0
89.60689	0.8
91.05455	9.1
93.07008	43.7
95.04922	3.7
95.08569	100.0
97.06502	7.5
97.10129	6.2
99.08055	2.1
105.06985	13.1
107.08561	39.0
109.06480	1.8
109.10123	20.6
111.08046	41.2
111.08816	1.3
111.11638	1.9
116.64011	0.9
119.08539	7.2
121.10095	19.6
123.07999	1.2
123.11651	19.4
125.09536	3.1
130.76534	0.8
133.10059	5.1
135.11621	8.1
137.13220	4.8
139.11153	1.5
143.75827	1.0
147.04373	0.9
147.11647	5.0
149.13226	16.3
151.11189	1.3
151.14775	1.4
153.12651	1.1
161.13217	4.3
163.14742	5.3
165.12675	1.1
167.14264	1.8
177.16330	1.6
189.16245	1.8
191.17908	1.1
203.17896	1.8
206.07074	0.9
209.18970	1.0
217.19556	1.1
251.79065	0.9
261.25620	1.1
273.25729	3.0
279.26709	1.3
291.26788	12.2
309.27823	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	309.2781
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.27412	1.1
53.34398	1.0
55.01856	10.0
55.05244	1.5
55.05498	35.8
57.03410	1.4
57.07054	14.9
59.04983	7.3
59.88359	1.2
60.55858	1.1
65.62793	1.1
67.05479	38.8
69.03407	6.4
69.07043	76.0
71.04967	12.9
71.08613	2.1
71.43459	1.2
79.05456	18.6
79.17897	1.3
81.07025	94.8
81.45781	1.2
82.45969	1.1
83.04979	2.6
83.08587	37.4
85.06509	10.2
89.62394	1.4
91.05444	10.5
92.08692	2.7
93.06426	2.3
93.07010	52.3
95.04928	4.8
95.08570	100.0
97.06493	7.8
97.10142	6.6
98.97601	1.4
99.08077	1.6
105.06990	17.7
107.08556	31.6
109.06474	1.8
109.10124	37.8
111.08051	58.8
111.11677	6.5
119.08541	11.0
121.10095	20.8
121.96172	1.1
123.11665	26.9
125.09583	5.3
131.08493	1.1
133.10086	6.8
135.11639	8.7
137.09679	1.2
137.13190	8.9
139.11108	2.9
147.04378	1.5
147.11678	8.3
149.13214	15.4
151.11137	1.9
153.12743	1.5
161.13200	6.0
163.14731	2.1
165.12685	2.0
168.42418	1.1
209.19003	2.4
217.19498	1.9
249.26357	1.3
273.25742	5.6
279.26776	1.8
291.26797	14.4
309.27823	12.5
315.71185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2417
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.00275	1.9
53.03932	3.7
55.01850	8.6
55.05243	1.9
55.05497	36.3
56.64740	1.4
57.03412	6.8
57.07053	4.3
58.30342	1.5
59.04984	1.9
63.36129	1.6
63.38824	1.5
67.05483	70.4
69.03414	3.1
69.07043	29.0
69.98473	1.5
71.04939	2.9
71.08606	73.5
73.06522	1.7
75.72263	1.7
79.05465	64.2
81.03393	14.2
81.07025	70.0
82.36692	1.5
83.04956	26.2
83.08583	10.7
85.06509	3.2
91.05444	44.9
92.08522	2.9
93.07012	100.0
95.04932	15.9
95.08573	55.2
97.06503	19.2
97.10138	3.5
99.08060	34.6
105.06989	26.5
107.04906	10.2
107.08554	44.0
109.06497	2.8
109.10136	19.6
111.08037	3.5
117.07008	2.9
118.16225	2.0
119.08546	26.6
121.10107	32.6
123.08005	2.7
123.11689	2.9
124.76646	2.2
127.11158	2.4
129.06967	2.1
131.08626	3.2
133.10072	13.2
135.11649	34.8
137.09592	7.9
139.11086	2.3
141.09073	4.2
143.08522	2.5
145.10088	7.1
147.11650	7.8
149.13234	10.6
149.80551	1.8
151.11137	31.3
159.11649	3.4
161.13235	13.3
161.72003	2.2
163.11130	10.2
165.12720	1.9
165.80060	1.8
167.10645	3.2
171.11707	2.3
177.12717	2.7
179.14264	86.2
185.13211	2.8
189.12840	1.7
193.45659	1.8
203.32695	1.7
221.15396	2.0
235.16919	2.2
241.19415	2.1
243.69313	2.3
259.20474	2.2
277.21539	64.5
309.24149	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	309.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80229	0.3
53.03924	0.3
55.01854	1.4
55.05484	1.8
57.03414	2.0
67.05490	2.3
69.03403	1.4
69.07044	3.6
71.04971	4.0
79.05470	5.7
80.78015	0.3
81.03384	0.7
81.07030	3.5
83.04950	2.4
83.08596	1.6
85.02534	0.2
85.02892	4.0
85.06536	0.7
89.70949	0.4
91.05457	4.0
92.08621	0.4
93.07013	5.4
95.04939	1.5
95.08575	4.4
97.06496	100.0
98.97551	0.3
99.04416	0.4
105.06998	5.2
107.04900	0.5
107.08567	5.1
108.73514	0.3
109.02856	0.5
109.06470	3.4
109.10136	1.8
111.08050	2.5
117.06989	1.4
119.04894	1.5
119.08539	6.3
121.06426	2.2
121.10107	2.5
123.08002	2.2
125.09596	0.5
126.44064	0.4
127.07517	0.5
128.06161	0.3
129.09070	3.6
131.08522	3.1
133.10085	3.0
135.08037	2.7
135.11589	0.4
137.09583	2.9
139.07541	0.4
142.07710	0.5
143.08501	1.7
145.10095	2.7
147.04376	3.3
147.08092	0.5
147.11668	1.4
149.09592	1.5
149.13155	0.5
155.08618	0.4
155.10641	0.5
156.09341	0.6
157.10078	1.9
158.99602	0.4
159.07959	0.5
159.11606	2.9
161.09555	0.7
161.13249	0.4
163.11180	0.4
165.09062	1.2
171.11664	0.5
173.09554	0.4
173.13235	1.6
185.13206	0.7
191.14339	0.4
197.13216	0.5
215.14258	0.6
231.17427	0.4
233.15262	0.5
251.16463	0.7
255.17297	0.4
270.87491	0.3
273.18552	1.6
279.10083	0.3
291.19479	1.9
309.20612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2052
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.74333	5.2
52.27054	5.3
53.03922	7.2
54.80906	5.7
55.01851	15.7
55.05493	51.0
56.96560	8.0
58.94016	7.2
67.05482	100.0
69.03391	7.8
69.07036	42.1
69.57797	5.3
71.04961	6.9
79.05483	58.6
81.03396	15.1
81.07023	73.9
83.04980	8.7
85.65079	5.9
91.05444	50.1
93.07009	55.8
95.04919	12.5
95.08575	89.9
97.06495	6.9
98.97529	8.0
105.07027	47.8
106.39700	6.0
107.04935	27.0
107.08571	33.6
109.10111	47.0
116.31912	6.8
117.06968	7.2
119.08566	12.6
121.10110	11.8
123.08042	10.8
129.06883	8.1
131.75220	6.5
133.10094	33.2
146.48799	8.4
147.11598	6.7
151.11147	7.3
159.11658	8.0
161.09726	7.5
195.61502	7.2
199.06471	6.1
203.16823	6.3
273.18561	9.6
293.25821	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	309.2054
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03920	7.2
55.01848	26.9
55.05497	84.1
57.03186	4.2
57.03418	68.1
57.07042	6.4
59.04955	3.7
61.35328	2.8
65.03891	3.4
67.05479	52.8
67.54720	3.0
69.07050	29.5
71.04947	4.8
74.39433	3.2
79.05455	71.1
81.07028	100.0
83.04943	20.9
83.08581	31.5
85.06519	15.9
91.05456	54.7
92.08679	7.2
93.07024	47.0
95.04966	25.7
95.08580	34.3
97.06478	4.5
97.10143	26.3
99.08044	7.0
100.11202	13.7
103.93177	3.4
105.06986	46.5
106.78909	3.7
107.04935	45.4
107.08543	29.7
109.06485	35.0
109.10135	18.0
111.04406	5.1
115.05409	4.9
117.06982	32.4
119.08559	62.6
121.06469	26.2
121.10087	13.7
123.08019	5.3
123.11660	3.6
125.09583	20.3
129.06960	18.6
131.08513	23.7
133.06456	5.2
133.10031	5.7
135.07997	7.9
135.11606	4.0
137.09601	4.2
140.10062	3.8
142.07753	3.7
143.08516	6.0
145.10115	25.1
147.07986	25.8
147.11655	8.2
149.09586	4.9
153.09056	4.1
157.10114	3.8
159.11652	5.9
161.09529	14.5
169.10040	3.7
173.13173	5.4
182.15332	30.5
189.11140	6.8
210.14838	20.9
219.13782	5.4
239.19586	3.8
250.91017	4.4
255.17133	4.0
269.93106	3.8
273.18265	37.8
291.19431	89.6
298.14420	4.0
307.29810	3.5
309.20407	4.6
313.61005	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	309.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88178	1.7
55.05476	2.6
56.96543	2.2
61.02896	3.9
67.05465	12.3
69.03387	11.2
69.07040	2.7
70.06564	2.6
71.04948	2.7
79.05454	2.6
80.04046	1.8
81.03387	3.0
81.07012	2.8
82.06549	2.6
82.61972	1.9
83.08586	4.9
84.08115	2.0
85.02857	10.7
85.06518	2.2
86.09637	2.1
91.05427	15.4
96.04447	8.8
97.02838	3.4
98.97569	2.4
105.06966	1.9
108.08083	3.1
109.06488	2.5
110.05997	8.4
111.04440	2.8
116.98544	1.9
117.07014	2.5
119.04890	26.1
122.06025	7.5
124.07527	3.9
129.09064	8.0
131.08479	2.3
136.07538	20.9
140.07018	2.6
146.05975	3.3
147.04362	68.2
150.05463	2.8
151.17021	2.0
154.08586	3.6
158.08444	2.1
158.09653	9.6
160.07585	2.5
160.09956	2.2
160.11186	3.0
163.03944	3.1
167.07249	2.9
173.06993	4.8
174.09070	9.4
175.12206	11.5
177.05386	2.3
185.08180	3.1
186.09064	28.4
187.08562	4.9
188.09323	28.4
188.10814	3.2
191.11737	4.8
192.07884	5.9
193.13347	3.1
199.08670	2.3
200.10764	4.5
201.06566	3.7
203.08305	2.9
203.11711	52.2
204.10146	8.4
208.02779	4.8
208.09798	3.4
209.10687	36.4
213.07823	14.3
213.10158	4.4
214.08725	3.5
215.08078	46.2
215.11565	2.4
216.08730	20.4
219.11102	3.0
221.12779	14.5
222.07803	9.4
227.08066	29.6
227.11665	7.4
228.10286	14.9
229.09683	49.0
231.11214	60.4
237.10136	16.7
240.08827	12.6
241.09550	3.2
242.10411	16.3
243.11266	8.9
246.11171	17.2
249.12218	67.7
255.11162	47.0
256.09601	12.8
260.11459	51.3
261.12302	2.7
273.12238	56.0
274.10574	25.3
289.11322	2.7
291.13251	61.7
309.07190	2.3
309.14328	100.0
309.17868	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2212
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.59316	0.1
51.22452	0.1
54.47846	0.1
54.58960	0.1
56.58419	0.1
57.07058	0.3
58.02931	0.2
60.61358	0.1
66.04710	0.2
69.07031	0.7
71.08597	0.7
79.05435	0.7
81.07026	1.6
82.50668	0.1
85.10157	0.2
85.22593	0.2
88.07599	0.2
91.05448	0.7
92.08762	0.2
94.03757	0.1
94.04160	2.5
95.08565	0.7
95.52911	0.1
107.04916	0.3
109.06467	0.3
111.45610	0.2
118.15409	0.2
122.02704	0.3
122.03604	9.6
124.08813	0.2
131.90775	0.2
134.81029	0.2
137.05936	100.0
168.72542	0.2
172.16890	1.0
184.16931	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.18622	0.3
57.03417	0.7
61.02893	2.0
64.01642	0.3
64.32552	0.3
67.05464	0.4
69.03400	4.9
70.98752	0.3
71.04948	0.6
73.02891	0.5
76.70536	0.3
80.88434	0.3
81.03378	2.3
81.07019	0.5
85.02874	8.1
91.03936	0.5
91.05440	5.9
94.91779	0.3
97.02847	4.3
98.92047	0.3
99.04405	0.4
99.25473	0.3
109.02855	1.3
117.05713	0.6
118.06495	100.0
123.04412	0.5
125.04893	0.3
127.03857	0.6
145.04865	0.4
146.05960	100.0
147.06392	0.3
158.06012	0.4
167.08694	0.3
177.60405	0.4
241.24135	0.4
300.63333	0.3
307.32159	0.3
308.11154	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	308.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
54.80968	0.3
55.01854	0.4
57.03408	1.2
61.02907	1.5
66.63124	0.2
67.05467	1.2
67.59512	0.2
69.03400	4.3
70.15713	0.2
71.04963	0.2
73.02881	0.8
81.03387	1.3
81.07036	0.3
85.02873	8.7
85.06509	1.2
86.54089	0.2
87.04426	0.3
91.03879	0.3
91.05431	1.5
93.07012	3.3
95.04922	0.7
95.08578	0.2
97.02843	2.7
99.04395	0.3
109.02859	1.1
111.08045	2.0
118.06509	1.3
127.03864	1.6
128.04907	0.3
129.09036	0.3
135.04260	0.2
138.47482	0.2
145.04942	0.9
146.05962	100.0
147.06314	0.4
155.29205	0.2
163.03799	0.4
242.51503	0.2
273.08401	0.2
308.11240	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2623
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03931	1.6
54.80296	1.4
55.05495	17.8
55.10210	1.4
56.96538	10.6
57.07042	9.1
59.04951	1.7
61.02267	1.5
67.05474	26.9
69.03380	3.4
69.06683	2.0
69.07040	51.4
70.06554	3.2
71.04959	3.0
71.08594	2.8
78.73837	1.4
79.05453	15.1
81.07025	100.0
83.04939	3.3
83.08579	6.8
85.06509	3.8
86.56182	1.7
88.61214	1.4
91.05425	7.3
93.07008	41.3
94.25137	1.5
95.04902	8.3
95.08562	38.9
97.06496	15.6
105.06995	20.5
107.08559	39.0
109.06455	10.2
109.10118	39.1
111.08047	24.2
111.11657	2.0
119.08523	10.7
121.10096	18.9
123.11683	19.3
124.58209	1.6
131.08528	2.1
132.10199	2.4
133.10083	7.3
135.07964	3.4
135.11636	11.0
137.13185	3.7
139.11101	7.6
143.00064	2.2
145.10049	3.0
147.11627	5.9
149.13196	2.5
151.11160	16.1
153.12692	6.4
153.55125	1.6
157.49644	1.4
159.08096	1.7
159.11578	2.6
161.01160	3.0
161.13142	2.8
163.11221	2.1
163.14745	1.8
165.12695	3.5
171.84209	1.5
175.14760	1.6
175.41739	1.6
189.36102	1.6
231.01747	2.0
241.08473	1.6
245.22552	1.8
249.02661	2.5
259.09741	1.8
289.25092	9.5
307.26367	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2624
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.57107	1.6
55.05240	2.6
55.05495	36.4
57.07061	20.6
59.04974	16.0
66.82598	1.6
67.05479	33.1
69.07041	46.7
71.04958	19.4
71.08606	2.4
73.34306	1.8
75.35542	1.7
79.05453	22.7
81.07024	91.3
81.36378	1.9
83.08581	14.7
85.27150	1.7
91.05437	24.7
93.06424	4.1
93.07009	100.0
93.73347	1.8
95.04964	4.2
95.08565	90.9
97.06493	7.7
97.10136	9.1
105.07002	32.0
107.08557	88.3
109.06461	3.2
109.10119	77.1
111.08034	2.5
111.11687	3.1
119.08543	30.3
121.10095	42.3
123.07995	3.1
123.11679	25.7
125.09620	4.4
127.11147	12.4
131.08505	3.6
133.10077	22.1
135.11646	25.6
137.05928	16.3
137.13237	3.7
138.06273	9.0
143.10638	10.0
145.10104	8.7
147.11630	22.7
149.13222	51.5
151.11136	2.9
151.14754	10.8
153.12675	4.2
159.11682	10.0
161.13168	13.5
163.14746	7.2
165.12717	2.2
175.14760	3.5
177.16292	2.1
179.14119	2.1
187.14824	4.3
189.16365	3.4
201.16478	2.2
203.17894	23.0
205.19490	8.7
217.19487	2.6
261.02844	3.7
271.24075	10.5
289.25269	14.5
307.26218	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	307.2621
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03940	1.7
53.57261	1.8
53.86681	1.5
55.01861	3.0
55.05492	13.9
55.72084	1.6
56.96542	11.4
57.07048	15.0
67.05486	29.2
69.03387	3.5
69.07040	53.2
70.06553	11.9
71.04960	2.9
71.06899	3.7
71.08595	2.7
79.05455	16.3
81.07025	100.0
81.33311	1.7
83.04951	3.4
83.08573	12.4
85.06509	8.9
88.07574	3.4
89.33879	1.8
91.05428	4.5
92.08693	3.9
93.07015	51.3
95.04935	7.1
95.08567	63.0
97.06481	17.9
97.10115	3.2
97.10943	1.9
105.07002	18.9
107.08565	39.0
109.06487	9.0
109.10126	33.7
111.08054	23.4
111.11681	2.0
117.06976	2.3
119.08524	11.6
121.10083	14.6
123.11668	22.6
125.09614	3.6
132.10205	3.3
132.17935	1.9
133.10112	10.6
135.07976	7.2
135.11617	10.7
137.13197	10.8
139.11066	2.0
143.00060	2.1
145.10085	3.5
147.11604	4.3
149.13239	7.4
151.11125	9.6
153.12703	11.9
159.11617	4.7
161.01135	2.7
161.02281	2.8
163.03867	6.9
163.14728	2.5
165.12640	2.5
173.02271	2.8
173.13258	2.2
177.12674	10.2
177.59012	2.0
181.12236	2.5
189.00792	2.3
201.20355	7.7
215.06970	1.9
227.08685	2.2
244.22661	3.6
245.23000	18.3
249.02846	2.5
259.09515	4.0
271.24057	2.5
285.05267	2.1
289.25174	9.4
307.26483	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2623
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.82941	1.1
51.19922	1.1
52.78021	1.3
53.03931	2.4
55.01847	2.5
55.05497	18.9
56.96550	12.4
57.07045	6.1
59.04966	2.1
67.05480	23.1
69.03391	3.5
69.06684	1.7
69.07046	51.2
69.07417	2.5
70.06554	2.2
71.04964	5.9
71.08582	1.5
79.05462	16.7
81.03394	2.6
81.07029	100.0
83.04950	3.3
83.08585	10.4
85.06492	5.9
88.07597	1.3
91.05455	12.3
93.07014	42.0
95.04921	7.6
95.08573	38.4
96.56499	1.3
97.06494	10.6
97.10110	2.3
99.04413	1.5
105.06997	24.4
107.08556	35.7
109.06487	10.5
109.10114	36.9
111.08048	21.7
111.11678	3.5
116.45123	1.4
119.08527	10.3
121.10109	13.9
123.07971	2.2
123.11660	19.4
125.05937	2.1
131.08496	2.2
132.10133	2.6
133.10074	12.3
135.08005	3.1
135.11699	9.8
137.09578	1.9
137.13196	6.1
139.11169	9.3
143.00089	1.9
147.11642	8.7
149.13228	5.7
151.11160	14.5
153.12708	8.3
159.11668	2.1
161.01147	2.1
161.13185	1.6
163.03784	2.2
165.12727	3.1
169.12167	1.7
172.13721	1.3
173.02295	2.1
175.14772	1.7
183.33537	1.4
190.27975	1.6
279.48868	1.4
289.25052	9.7
307.26285	35.0
329.61078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2624
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
50.82635	1.3
51.26531	1.2
51.90789	1.2
55.01870	6.0
55.05497	30.1
56.96550	7.1
57.03416	3.1
57.07061	38.3
59.82127	1.5
67.05489	30.2
69.03399	3.6
69.07045	51.6
71.04971	7.8
71.08618	3.5
71.11239	1.7
72.51548	1.5
79.05479	20.4
81.07029	100.0
82.18987	1.4
83.04977	3.4
83.08583	23.3
85.06516	9.4
91.05450	11.0
92.09328	3.2
93.07010	40.2
95.04932	6.6
95.08570	78.4
97.06498	13.2
97.10139	7.9
98.97572	2.3
105.07030	17.7
107.08561	37.0
109.06496	9.0
109.10120	28.9
111.08057	44.9
117.06963	1.8
119.08511	12.9
121.10124	25.0
123.08030	3.4
123.11665	20.6
125.09636	1.9
129.84271	1.5
131.08534	2.8
133.10080	16.4
135.08073	2.7
135.11618	11.2
137.09590	2.5
137.13226	16.3
139.11171	3.4
145.10107	2.8
145.19212	1.8
147.11641	8.6
149.09602	8.5
149.13228	8.9
151.11163	7.9
159.11633	6.5
161.13199	3.7
163.11162	6.3
163.14775	1.9
165.12691	3.0
165.16353	1.7
173.13255	1.8
175.14807	2.2
177.12744	3.4
177.16342	2.5
183.13599	1.9
186.95909	1.6
189.16330	3.7
191.17892	2.4
192.12932	1.9
201.20311	2.0
207.17395	2.2
209.18935	6.3
245.22937	6.4
249.02834	1.9
259.71893	1.8
271.24222	6.9
289.25183	20.3
302.19568	2.2
307.26358	46.7
310.98242	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2623
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03922	5.2
53.25735	1.2
55.01842	1.9
55.05495	31.1
56.30794	1.2
56.96552	1.3
57.03412	6.7
57.07061	15.0
59.04977	2.3
60.20780	1.1
60.72136	1.3
67.05485	20.0
69.03386	3.1
69.07042	87.3
71.04959	9.3
71.08572	2.3
72.49281	1.2
74.84221	1.4
76.64861	1.2
79.05466	18.6
81.07026	54.6
83.04951	5.2
83.08592	26.4
85.06490	1.4
87.04386	1.7
88.07600	7.9
89.23339	1.1
91.05446	17.5
93.07007	100.0
95.04924	24.2
95.08566	59.0
97.06499	11.2
97.10124	7.1
105.06982	14.2
105.07648	1.8
107.08564	32.7
109.06494	5.1
109.10132	17.7
111.03204	1.2
111.08021	12.6
111.11628	1.8
117.07001	2.1
119.08537	10.5
121.06453	2.6
121.10094	33.1
123.08015	5.7
123.11684	11.0
125.09583	6.9
131.08536	3.0
133.10069	7.3
135.11658	6.4
139.11111	2.7
142.92456	1.6
145.10080	6.2
147.11670	5.3
149.09590	1.6
149.13194	12.0
159.11627	5.4
161.13205	1.5
163.14891	1.3
167.14232	2.1
175.14726	1.7
185.15161	2.0
195.17299	1.4
215.21939	6.4
259.24527	1.7
271.24026	2.0
289.25104	5.7
289.54465	1.7
298.44357	1.6
307.26373	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	307.2624
Annotation	Crinitol
Peak:m/z	Relative Intensity
54.55025	1.6
55.01846	3.5
55.03732	1.6
55.05493	36.3
57.03410	3.9
57.07058	17.2
57.37192	1.5
59.04975	1.9
59.38431	1.5
67.05484	21.1
69.03409	3.2
69.07041	98.7
71.04961	6.8
71.08598	2.0
76.55512	1.6
79.05460	19.8
81.07024	63.3
83.04939	3.0
83.08198	2.1
83.08592	32.8
85.06505	3.3
91.05441	17.8
92.08684	8.9
93.06422	4.2
93.07006	100.0
95.04922	29.5
95.08566	64.7
97.06477	12.1
97.10112	4.1
105.07001	19.7
107.08572	29.3
109.06464	3.6
109.10122	18.2
111.08013	9.6
111.11707	3.5
119.08545	10.4
121.10102	35.3
123.08018	3.6
123.11653	16.8
131.08502	4.3
133.10042	8.4
135.11655	3.7
137.09514	2.2
139.11140	3.8
145.10052	4.8
147.11632	4.6
149.09570	2.2
149.13220	12.2
159.11623	4.8
167.14191	3.9
185.15404	2.2
271.24112	3.7
286.67175	2.2
289.25192	2.8
307.26138	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	307.2259
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
54.27532	1.5
55.01858	12.8
55.05494	25.1
57.07056	2.9
64.32916	2.1
67.05480	21.6
69.03412	1.9
69.07040	16.8
70.24206	1.5
72.77887	1.8
79.05460	14.8
81.07021	23.7
83.08580	8.7
91.05436	10.4
91.15428	1.5
92.08691	3.0
93.07001	15.5
95.04917	11.7
95.08567	24.0
97.06496	3.9
97.10153	2.6
105.06995	15.4
107.04894	2.0
107.08563	11.4
109.06487	100.0
109.10120	8.7
111.08011	9.1
111.46830	1.5
117.06956	1.9
119.08535	10.1
121.06474	3.7
121.10108	7.3
123.08006	4.2
125.09586	2.2
131.08514	6.7
133.10107	2.7
137.09529	7.2
143.72992	1.9
145.10095	2.8
149.09546	2.9
163.11194	3.0
165.12628	3.3
173.13220	2.9
228.98175	1.9
237.12674	1.9
251.16394	13.3
287.13492	1.7
289.21426	3.5
307.22595	67.4
329.92529	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2623
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05494	43.1
56.96536	8.1
57.03419	6.4
57.07038	6.2
67.05476	29.6
69.07043	91.7
71.60596	4.7
79.05471	26.8
81.07032	71.5
83.08601	28.9
91.05446	38.8
92.08611	16.6
93.07018	100.0
93.24825	4.3
95.04930	27.9
95.08564	75.9
97.06504	9.6
97.10168	5.7
105.07008	24.2
106.46774	4.8
107.08570	32.1
109.10119	32.6
111.08005	6.4
119.08563	23.5
121.10110	29.8
123.11643	20.1
128.06195	6.8
129.07137	4.7
131.08575	7.0
133.10115	20.8
135.11652	6.9
137.13242	4.7
143.08569	9.0
145.10088	9.3
149.13231	11.1
156.09299	5.6
157.10114	6.2
167.08484	4.4
196.94588	5.0
202.63567	5.0
235.60332	5.4
247.14531	5.3
257.27878	5.0
261.03186	6.8
288.60870	5.0
307.26279	23.5
314.93027	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	307.2261
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
51.86111	0.5
53.03901	0.7
55.01862	5.9
55.05246	0.8
55.05497	15.0
57.03423	0.6
57.07053	0.9
59.04976	1.0
67.05491	10.8
69.03416	0.9
69.07039	9.5
70.97654	0.6
71.04960	0.9
72.24333	0.6
79.05467	7.9
81.07024	13.5
83.04949	3.2
83.08589	3.8
85.06510	0.9
91.05465	5.3
91.80567	0.6
92.08633	1.0
93.07014	10.7
95.04942	10.9
95.08571	10.3
97.06511	4.9
97.10117	2.6
105.07013	7.3
107.08582	5.8
109.06493	100.0
109.10116	3.8
117.06969	0.7
119.08536	4.9
121.06448	4.6
121.10129	5.4
123.08009	4.2
123.11650	0.6
125.09637	0.9
131.08507	3.3
133.10069	3.2
135.08034	2.7
135.11612	0.8
137.09563	0.9
145.10088	3.8
147.11644	1.5
149.09560	3.3
149.13225	0.9
151.11137	1.2
159.11658	1.0
163.11145	1.2
165.12688	2.4
171.11591	0.7
173.13197	1.2
191.14339	1.1
251.16385	13.8
289.21445	7.2
307.22580	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57537	1.4
50.61061	1.2
53.00283	1.8
53.03734	1.3
53.03932	24.6
55.01648	1.2
55.01860	19.8
55.05245	1.5
55.05494	26.3
57.03425	10.8
57.07059	2.1
59.04975	2.4
61.06312	1.3
67.05482	58.6
69.03395	1.8
69.07041	42.7
71.04974	2.5
78.49174	1.3
79.05462	56.0
81.03383	45.9
81.07022	100.0
83.04947	8.3
83.08581	10.1
85.06501	8.2
91.04900	2.6
91.05442	54.5
93.07001	53.8
95.01298	8.1
95.04922	20.8
95.08569	44.0
97.06490	27.1
97.10122	2.6
99.04401	2.4
105.06991	75.5
107.04908	25.4
107.08569	19.8
108.91536	1.9
109.06478	14.3
109.10114	7.5
111.08031	2.3
117.06964	17.2
119.08538	34.7
121.06445	7.6
121.10074	12.9
123.04337	2.2
123.07999	9.3
125.09565	2.2
129.06952	2.9
131.08499	28.0
133.10074	34.2
135.07986	8.1
135.11639	14.8
137.09650	1.7
141.06941	3.6
143.08533	1.8
145.06430	2.9
145.10107	14.9
147.11644	11.8
149.09615	11.7
149.13234	8.3
157.10068	2.0
159.11655	19.4
165.09021	2.7
165.12753	2.6
169.09961	1.9
177.12665	12.1
179.14227	9.0
187.11102	8.6
195.11362	2.5
209.15295	2.8
219.17346	19.6
239.17839	2.0
247.20409	2.0
257.18842	3.1
275.19946	49.7
307.22504	12.0
307.77927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	44.8
55.67945	5.7
56.96536	17.4
57.03410	7.4
57.07058	7.5
59.98510	5.8
64.19283	6.3
65.03852	6.0
67.05481	61.0
69.03438	8.1
69.07038	37.0
71.06423	6.3
78.81310	8.2
79.05479	57.4
80.67844	6.6
81.07026	100.0
83.08570	8.7
84.08258	7.0
86.09686	6.3
91.05444	53.0
93.07014	59.7
95.04926	71.3
95.08564	94.9
97.06506	14.4
101.54550	7.3
105.06984	94.9
107.08559	45.5
109.10106	10.3
115.05470	8.4
117.06981	32.3
119.08565	76.8
121.10115	13.7
123.11642	7.8
128.06194	16.8
129.06963	35.4
130.07755	7.9
131.08510	37.8
132.66675	8.2
133.10063	86.3
137.13222	25.8
141.06921	16.1
142.07727	38.4
143.08508	59.4
144.09323	13.2
145.10085	33.6
147.11684	15.2
153.06905	9.4
154.07785	9.7
155.08508	17.4
156.09326	35.2
157.10075	55.3
159.11658	34.6
167.08453	69.6
168.09366	13.4
169.10066	41.2
171.11632	14.3
173.11566	6.8
173.13176	11.2
179.08513	16.2
181.10057	16.7
182.10883	42.3
183.11617	15.9
192.09264	13.6
193.10072	14.6
194.10858	6.9
195.11613	35.4
197.13177	26.2
203.08568	8.3
206.10881	14.9
207.11763	15.0
209.13168	30.3
219.01826	7.7
219.11665	12.8
221.13155	15.3
229.10069	8.2
233.13072	14.2
235.14821	10.3
261.02963	17.1
263.18088	9.2
307.20407	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	307.1896
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03917	1.3
55.01842	1.0
55.05493	11.6
56.96542	1.3
57.98384	0.8
65.03915	0.8
66.42129	0.8
67.05483	14.5
69.03394	3.8
69.07035	9.1
71.04970	1.6
79.05462	12.1
81.07027	27.9
83.04966	0.9
83.08585	1.2
85.06503	5.5
86.32543	0.8
91.05444	13.1
93.07011	26.3
95.04917	2.1
95.08012	1.5
95.08570	22.2
97.06487	3.4
105.07001	24.2
107.04931	1.1
107.08562	27.1
108.05708	0.9
109.06484	4.3
109.10130	8.4
111.08010	2.1
117.06988	2.1
119.08538	23.5
121.06472	13.4
121.10115	12.5
122.07241	7.4
123.08035	14.0
123.11641	3.5
125.09591	1.2
128.06258	0.8
131.08527	10.3
133.10094	16.2
135.08015	100.0
135.11617	1.9
137.09583	15.5
139.11137	4.5
142.07716	1.5
143.08505	3.9
144.09319	1.2
145.10081	12.8
147.08006	2.0
147.11630	4.6
149.09541	1.7
151.07495	1.6
151.11078	2.2
155.08557	1.6
156.09297	1.1
157.10062	3.7
158.10861	1.0
159.07979	6.0
159.11667	16.0
160.08708	1.1
161.09550	7.6
161.13196	1.5
163.07430	1.2
163.11023	0.9
169.10081	1.4
171.11632	2.0
172.08757	1.6
173.09540	5.4
173.13193	8.9
175.11115	2.1
175.14742	3.8
181.08519	5.1
183.11731	2.0
185.13228	3.9
187.11095	5.7
201.12639	4.2
201.16335	1.4
203.14215	1.3
213.12711	1.8
215.17877	3.6
225.16251	1.8
243.17303	5.1
247.13321	1.1
261.18411	4.2
271.16855	4.0
289.17886	11.5
300.53882	0.9
307.19000	3.1
307.26535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65940	0.6
55.05268	0.9
55.05500	12.1
56.96561	6.0
57.07064	1.1
59.04980	1.2
62.20528	0.6
64.70397	0.7
67.05489	10.3
69.03396	3.5
69.07042	8.9
70.06562	1.8
71.04960	3.6
71.08578	0.8
76.55341	0.8
79.05460	13.2
81.07027	24.7
83.04961	1.6
83.08596	1.4
85.02847	0.9
85.06507	4.1
85.15759	0.7
88.07616	3.4
91.05457	13.2
92.08720	1.5
93.07004	23.7
95.04925	4.1
95.08575	22.5
97.06503	4.0
105.07004	21.3
107.04910	1.7
107.08560	22.3
109.06495	4.4
109.10117	9.4
111.08060	1.1
113.09587	1.4
114.09176	2.7
115.05396	1.1
117.06982	4.8
119.08541	21.4
121.06446	12.0
121.10088	13.1
122.07226	6.0
122.99378	0.8
123.04365	2.8
123.08006	15.5
123.11658	1.3
125.09612	1.7
128.06181	1.2
129.06978	1.4
130.07706	1.3
131.08498	10.7
132.10164	4.3
133.06447	0.8
133.10060	16.1
135.08014	100.0
135.11603	3.4
137.09575	14.8
139.11133	3.3
143.00125	1.2
143.08530	4.0
144.09326	3.2
145.10068	14.3
147.08028	3.3
147.11629	4.0
149.09610	3.7
151.07489	3.2
151.11111	0.9
153.43881	0.8
155.08504	1.3
156.09261	1.6
157.10133	6.0
158.10928	1.1
159.07996	5.8
159.11609	14.3
161.01250	0.8
161.09607	9.1
161.13190	1.8
163.03903	1.1
163.07506	1.3
169.10097	1.7
171.11674	3.5
173.09576	6.4
173.13162	11.4
175.11128	3.4
175.14740	4.2
179.00125	1.0
179.06923	0.8
181.08487	4.0
183.11613	3.4
185.01154	1.0
185.13170	3.4
187.11147	6.1
189.12659	1.1
194.13872	1.0
197.01166	4.5
201.12677	4.8
201.16335	3.3
203.14217	1.7
211.11037	0.9
213.12683	2.8
215.02209	1.4
215.06845	1.2
225.16360	3.1
229.15886	1.1
237.62956	0.8
241.08562	1.3
243.17332	5.8
247.13225	1.5
249.02748	1.4
253.15776	1.0
261.18329	3.3
264.04694	1.5
271.16742	1.8
289.17834	11.7
306.26355	8.8
307.18961	4.6
307.26746	7.7
328.36426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31049	0.4
53.03907	2.3
55.01832	2.9
55.05479	1.9
57.03416	6.5
61.02879	2.3
67.05490	4.0
69.03046	0.6
69.03400	18.2
69.07022	0.9
71.01295	0.6
71.04972	6.9
73.02867	1.0
81.03381	6.9
81.07001	3.4
83.08582	1.1
85.02866	1.7
87.71192	0.5
91.05419	2.7
93.07008	1.2
95.08569	0.8
99.04414	5.3
105.07002	0.7
107.08547	0.7
109.06453	0.7
109.10103	4.1
114.02156	0.5
117.05410	0.9
118.06489	5.9
119.08467	1.7
127.11160	0.6
129.06808	0.6
131.04878	1.2
131.08514	0.5
133.10106	0.5
136.07535	0.8
138.09102	0.6
141.41982	0.5
145.07561	8.6
147.09106	7.3
163.08601	3.0
164.06946	1.1
173.07028	16.3
175.08588	5.6
191.08081	100.0
219.47101	0.6
229.15613	0.6
231.11356	0.7
235.30090	0.5
282.53143	0.5
289.11700	0.7
304.96069	0.6
306.26288	0.5
307.12769	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	306.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02948	0.3
62.05758	0.4
63.00997	0.4
69.07046	2.4
69.98084	0.5
79.05437	0.6
81.07041	0.6
93.07022	0.8
94.04161	2.2
122.03609	7.6
137.05937	100.0
139.55873	0.5
182.15364	1.9
190.07202	0.5
271.09885	0.5
306.20651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25125	1.4
54.80980	2.3
55.01860	19.2
55.05494	14.3
57.07048	12.9
64.32594	1.8
65.68964	1.6
67.05483	25.7
69.03397	4.1
69.07034	21.2
70.06535	1.9
71.04984	2.4
71.08611	13.5
74.49493	1.5
79.05465	15.7
81.07021	37.7
83.04954	2.3
83.08579	3.3
83.60232	1.7
85.06493	2.7
91.05454	19.3
92.42044	1.6
93.07010	30.1
95.04931	28.2
95.08573	38.9
97.06493	12.8
97.10117	2.3
99.08061	4.0
102.68525	1.6
105.07014	15.6
107.08555	18.9
109.06483	57.0
109.10117	11.9
117.06967	3.7
119.08517	17.7
121.06452	17.2
121.10099	8.8
122.03613	2.0
123.08003	8.1
131.08511	14.5
133.10063	7.3
135.07985	10.5
137.05931	15.7
137.09579	7.3
145.10098	13.1
147.11630	7.5
149.09525	2.3
149.13182	1.8
153.12724	2.1
154.12134	2.8
157.09991	1.9
161.13231	1.9
163.11136	9.6
163.14777	2.5
165.12694	100.0
171.13925	1.8
173.13228	7.3
175.11046	2.8
177.12694	2.3
191.14191	12.6
208.16896	2.3
221.15279	2.8
271.20490	2.4
289.21530	44.9
306.24139	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2467
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.05490	22.8
67.05466	10.3
69.06990	8.4
79.05476	10.3
81.07014	61.8
91.05418	19.3
92.08695	12.0
93.07000	51.1
95.08573	16.0
105.06968	48.3
107.08565	100.0
109.10153	13.6
117.06935	10.3
119.08540	61.4
121.10087	38.7
122.33459	9.9
125.40247	9.5
131.08517	12.0
133.10103	12.0
145.10081	17.0
147.11636	19.7
149.13187	62.4
157.10153	9.7
201.16333	12.8
268.71353	11.9
305.24533	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	306.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
57.03410	1.5
61.02886	0.6
63.02346	0.3
67.48315	0.2
69.03401	3.6
71.04963	0.5
73.02867	0.5
78.03415	0.6
80.04985	0.7
81.03386	1.6
85.02871	11.7
85.06462	0.4
87.04438	0.3
90.03399	4.7
91.04181	0.4
97.02845	1.6
98.99975	2.9
99.04411	0.5
101.02340	0.3
101.61318	0.3
106.71542	0.3
107.08553	0.5
108.08931	0.3
109.02886	0.6
117.46712	0.3
125.09564	0.6
126.01022	100.0
126.05451	3.2
127.01804	4.0
127.03856	2.4
128.02592	2.4
143.10632	0.6
143.42381	0.3
144.02069	63.0
145.04842	0.4
147.04298	0.4
186.03140	1.1
230.34816	0.3
288.06122	1.1
306.07254	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	305.2468
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.56835	1.7
51.08933	1.6
53.00282	1.6
53.03931	4.6
55.05493	29.3
56.96535	4.3
57.07047	9.4
58.57079	1.4
59.04972	13.0
59.14465	1.7
67.05486	18.2
69.03406	3.4
69.07043	24.7
71.04971	22.9
71.08611	1.9
79.05457	22.8
81.07030	64.4
83.08581	10.8
84.38399	1.8
85.06527	8.6
91.05438	30.8
93.07009	97.9
93.29211	1.9
95.04938	53.5
95.08575	35.9
97.06493	4.3
97.10114	9.9
98.97534	2.5
99.08064	4.7
105.07000	55.3
107.08566	100.0
109.06477	8.8
109.10115	30.8
117.06984	4.3
119.08541	66.8
121.10108	40.6
123.07981	2.9
123.11675	10.5
125.09573	12.8
127.07513	2.6
127.11131	6.8
130.90463	1.7
131.08548	14.3
133.10089	25.5
135.08134	2.1
135.11647	3.8
137.00156	1.9
137.09607	2.0
137.13210	2.0
143.08546	8.6
143.10628	13.0
144.09302	2.5
145.10072	44.1
147.11639	27.9
149.13190	51.3
150.62479	1.9
151.11110	3.0
157.10104	13.8
159.11636	30.6
161.13229	8.9
165.12744	2.2
169.12242	2.1
171.11636	8.4
173.13234	9.7
185.13155	2.8
186.45119	2.0
189.16345	4.0
199.14809	4.3
201.16362	24.2
213.16264	3.1
215.17993	6.9
269.22601	7.6
287.23569	19.3
305.21350	2.8
305.24628	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	305.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.6
55.05496	14.9
57.03405	2.2
57.07059	3.4
59.74564	1.9
60.36667	2.1
61.84310	2.1
67.05477	20.2
69.03384	8.7
69.07048	21.7
71.04969	22.4
79.05463	32.0
81.07030	51.6
83.04942	8.5
83.08578	4.4
85.02854	2.9
85.06512	14.9
91.05438	24.7
93.07007	52.8
95.04928	12.7
95.08570	72.0
97.06525	3.3
97.10128	2.5
105.07002	45.8
107.08570	33.7
109.06524	15.0
109.10117	12.8
111.08015	3.3
115.05435	2.8
117.06973	14.3
119.08537	39.7
119.43151	2.3
121.06443	22.8
121.10097	20.7
123.08038	29.4
123.11632	3.9
125.09571	9.3
128.06178	2.6
129.06927	2.8
131.08524	38.6
133.10121	36.9
135.08008	100.0
135.11644	3.2
137.09554	14.0
141.06949	3.7
142.07756	4.9
143.08496	11.7
143.10605	4.3
144.09343	2.7
145.10094	27.3
147.07986	12.5
147.11621	12.8
149.09578	4.0
149.13176	3.6
150.95778	2.3
151.07523	2.8
155.08464	8.5
156.09273	3.0
157.10028	12.6
158.10881	4.6
159.07977	25.5
159.11644	48.9
161.09581	19.8
161.13152	2.7
165.08965	2.2
168.09302	3.5
169.09975	2.8
170.10834	2.5
171.07980	3.5
171.11627	10.6
172.08728	11.0
173.09587	13.6
173.13179	36.7
175.11151	3.9
177.09045	2.4
179.06935	3.3
183.11647	15.0
185.09520	12.9
185.13234	2.3
186.10324	5.3
187.11105	9.8
189.12552	3.3
193.10106	3.4
199.11081	10.8
199.14767	8.3
201.12712	39.3
201.16422	3.3
209.13184	3.3
211.11099	11.8
213.16260	4.4
217.15903	2.7
227.14224	3.1
229.12141	11.8
241.15836	13.5
247.13165	3.8
251.14098	8.6
252.99986	2.6
259.16779	12.2
269.15222	22.7
287.16208	13.6
287.23593	2.8
305.17310	17.1
305.24503	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	305.2467
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.00280	5.2
54.80761	3.6
55.05490	25.7
56.19320	3.6
56.56588	3.4
56.96551	8.1
57.07063	32.2
58.07381	4.5
59.04976	8.3
67.05480	23.0
69.03401	5.7
69.07034	27.9
70.06558	10.2
71.04961	8.5
71.06908	7.9
71.08588	5.0
79.05452	18.9
81.07018	64.8
83.04953	4.0
83.08597	8.4
88.07601	21.7
89.05615	3.7
89.07905	9.1
91.05436	24.3
93.07005	72.4
95.08551	36.6
99.08041	7.0
105.06369	4.0
105.06999	39.6
107.08556	100.0
109.06486	6.6
109.10136	24.6
119.08517	40.3
121.10085	42.6
123.11632	7.6
125.09572	10.4
130.52315	4.0
131.08554	8.0
133.10078	22.4
135.11618	6.1
137.05893	5.3
143.08586	4.9
143.10629	8.3
145.10121	38.9
147.11626	28.6
149.13184	47.8
157.10071	6.3
159.11618	31.4
161.13228	5.9
171.11711	4.8
173.13191	7.9
187.14839	3.9
189.16350	4.7
199.14697	4.2
201.16333	21.3
283.25177	4.6
287.23688	20.5
304.31058	68.9
305.24713	22.2
305.31354	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	305.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19015	1.1
53.03936	2.7
55.01846	6.1
55.05490	12.6
57.03414	8.6
57.07051	6.6
59.04975	1.7
61.02890	9.3
63.63651	1.2
67.05481	1.6
69.03401	29.2
71.04959	70.8
73.02887	2.5
73.06517	9.2
74.87989	1.4
79.05456	8.2
81.03375	9.5
81.07012	6.7
83.04955	15.2
83.08585	12.0
85.02868	50.6
85.06514	29.2
87.04431	1.5
91.05451	2.9
93.60531	1.4
95.04926	9.4
97.02857	15.7
97.10123	18.8
99.04427	1.8
105.07005	2.8
107.08555	79.2
109.02827	5.7
109.06473	2.8
125.05934	2.4
125.09583	100.0
127.03870	6.7
136.07536	3.3
137.02109	1.4
137.09602	1.8
143.10623	81.8
143.11755	3.1
145.04945	2.2
162.18726	1.3
163.03821	2.0
167.10585	6.4
206.99210	1.5
215.07799	1.4
235.90512	1.3
241.53729	1.5
312.53339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.7
53.03927	1.8
53.89376	1.5
55.01854	8.2
55.05499	23.8
57.03413	10.6
57.07050	9.5
59.04974	7.0
61.02897	11.2
63.12220	1.5
64.00139	1.4
64.90308	1.6
65.03923	1.8
67.05482	21.8
67.59476	1.4
69.03403	32.6
69.07041	21.8
70.75162	1.6
71.01315	2.7
71.04964	66.8
73.02908	1.7
73.06519	9.7
79.05467	22.5
79.72404	1.5
81.03371	15.7
81.07027	49.1
82.24451	1.9
83.04944	22.2
83.08605	15.3
85.02878	63.8
85.06513	33.0
87.04417	3.5
87.56391	1.5
91.05436	20.9
93.07008	47.4
95.04925	44.4
95.08569	35.3
95.89952	1.5
95.92371	1.5
97.02848	19.3
97.06509	8.2
97.10117	15.4
99.08044	2.9
101.15529	1.8
103.03899	2.2
105.07004	27.1
107.04897	2.0
107.08558	100.0
109.02870	7.8
109.06489	13.4
109.10131	19.7
111.08025	6.4
117.06931	4.0
119.08533	21.6
121.06495	11.7
121.10108	21.6
123.04395	2.2
123.08042	9.2
123.11680	8.8
124.07533	2.8
125.09582	80.7
127.03881	10.7
131.08603	5.3
133.10075	9.5
135.11667	8.7
137.05931	7.8
137.09576	35.4
143.08548	1.8
143.10634	77.8
145.05002	3.4
145.10066	13.6
147.11679	9.8
149.09605	3.1
149.13203	6.6
151.07527	2.5
151.11221	1.9
157.10023	2.6
159.11627	3.3
161.13211	2.9
165.12787	2.2
167.10655	13.4
171.11565	1.8
179.10545	3.8
185.13312	3.1
191.10606	2.1
201.16385	2.4
209.11661	12.9
211.66946	1.7
221.11624	6.1
223.60446	1.7
233.11629	3.4
239.12624	6.3
251.12758	7.0
269.13885	4.0
287.14706	4.2
287.23611	6.9
305.15930	2.0
305.24637	14.2
312.21304	1.8
319.24182	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1587
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03919	4.9
54.80716	0.9
55.01847	2.7
55.05495	13.0
56.04802	1.0
57.03414	7.5
57.07057	5.7
59.04971	1.2
61.02901	10.4
61.88825	1.0
64.09673	1.1
67.05473	6.5
69.03407	21.1
69.07035	1.2
71.04572	2.4
71.04965	63.1
73.02882	2.1
73.06519	8.6
79.05452	7.7
81.03371	8.7
81.07004	7.1
83.04951	17.5
83.08592	11.2
85.02876	52.6
85.06515	32.8
85.65897	1.1
87.04432	1.3
91.05451	2.2
92.08695	4.0
93.06981	1.5
95.04948	12.1
95.08556	1.6
95.38425	1.0
97.02855	16.4
97.10136	17.3
98.20904	1.1
99.04432	2.9
107.04928	2.7
107.08561	76.7
108.05236	2.7
109.02840	2.5
111.04392	1.4
125.09590	100.0
127.03844	5.5
137.09552	1.6
143.10629	87.0
145.04973	2.2
154.40750	1.3
167.10622	6.3
167.56706	1.3
261.50595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1587
Annotation	Creoside I
Peak:m/z	Relative Intensity
52.83896	1.1
53.00275	1.3
53.03923	2.8
55.01847	5.4
55.05493	16.8
57.03412	6.3
57.07057	11.3
59.04971	2.7
61.02900	8.1
61.34457	1.2
64.63493	1.3
67.05483	12.7
69.03400	29.1
69.07040	10.7
71.04964	75.6
71.08604	1.4
72.16267	1.4
73.02853	2.7
73.06519	9.3
79.05447	8.9
81.03377	7.5
81.07014	24.1
83.04952	18.5
83.08595	12.2
85.02363	2.8
85.02869	56.5
85.06007	2.3
85.06509	37.1
87.04498	1.2
88.23875	1.4
91.03914	1.8
91.05445	10.9
93.07006	16.6
95.04948	19.5
95.08556	13.6
97.02860	16.3
97.06488	2.2
97.10129	22.2
99.04443	2.8
103.03902	2.3
105.06976	9.9
107.08557	80.0
109.02813	2.6
109.06439	5.8
109.10107	8.2
117.07023	1.6
119.08530	6.7
121.06477	2.0
121.10078	6.6
123.08025	2.3
125.09584	94.6
127.03876	7.8
131.08519	1.6
135.08134	1.5
135.11647	2.0
137.02299	2.0
137.05920	1.9
137.09541	5.2
143.10623	100.0
145.04951	1.8
145.10066	3.0
151.01320	1.3
151.11157	1.8
157.10007	2.0
167.10573	11.5
191.10556	2.3
209.11740	3.3
305.24536	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01859	4.9
55.05501	24.7
57.03415	10.4
57.07059	3.3
59.04988	3.8
59.80471	2.3
61.02898	10.5
63.29979	2.0
67.05476	22.1
69.03405	29.0
69.07052	20.5
71.04967	80.4
73.06530	10.9
79.05473	22.4
81.03389	18.1
81.07023	46.8
83.04956	17.0
83.08575	17.9
85.02876	53.9
85.06519	36.2
91.05439	20.5
91.38828	2.9
93.07009	44.8
95.04933	39.1
95.08564	31.1
97.02848	14.1
97.10106	20.9
99.04420	2.4
105.07004	30.0
107.08560	100.0
109.02846	4.6
109.06510	4.1
109.10107	17.5
111.08060	3.5
119.08563	27.1
121.06486	5.3
121.10104	23.1
123.08059	3.2
123.11617	4.0
125.09582	84.7
127.03893	5.7
131.08508	3.9
133.10081	13.1
135.11647	5.5
137.05969	4.3
137.09563	22.0
143.08546	2.8
143.10637	94.0
145.04889	4.7
145.10085	5.6
147.11700	16.1
149.09608	4.2
149.13188	8.3
157.10071	4.1
159.11615	10.1
167.10631	9.0
173.09671	2.3
177.16313	2.7
185.13121	2.7
191.98956	2.3
201.16321	5.4
209.11711	4.0
230.59326	2.7
257.85602	2.3
287.14706	3.1
287.23636	2.9
305.24725	9.5
317.92157	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	305.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57123	0.1
50.77990	0.1
53.03930	0.9
55.05485	0.2
65.03905	0.2
67.05474	1.4
69.07027	0.3
69.32100	0.1
71.04950	0.3
77.03906	0.2
79.05457	0.8
81.03392	0.2
81.07027	1.9
91.05445	3.5
93.05757	0.7
93.07011	3.2
94.06548	0.8
95.04919	1.7
95.08556	1.0
96.08090	0.9
97.06472	0.2
105.04464	0.3
106.06533	0.2
107.08549	0.6
108.08083	1.7
109.10126	0.3
109.70154	0.1
116.34483	0.1
119.08540	0.2
121.10068	0.2
122.05971	2.5
124.07546	10.5
125.09587	0.1
126.05475	1.5
133.10077	0.2
135.11670	0.2
136.07532	100.0
137.02304	0.2
138.09097	0.3
140.07022	1.3
143.10580	0.2
152.07024	12.1
153.01749	0.2
159.11606	0.2
164.07002	53.4
170.08055	1.9
173.13167	0.2
182.08064	7.2
196.16353	0.1
245.12875	0.2
287.13770	3.3
303.44150	0.1
305.14810	1.2
305.24756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.80562	0.2
56.67412	0.2
65.03895	0.3
65.34450	0.2
67.05472	1.2
69.07042	0.3
78.26448	0.2
79.05473	0.4
81.06609	0.2
81.07021	1.8
87.12273	0.2
91.05444	3.9
93.05770	0.3
93.07007	2.8
94.06560	0.4
95.04928	1.8
95.08565	0.4
96.08081	0.3
96.81328	0.3
97.83722	0.2
105.07028	0.4
107.08553	0.4
108.08075	2.3
109.10134	0.3
122.05967	2.0
124.07550	9.2
126.05444	1.8
130.24832	0.2
136.07527	100.0
140.06987	1.7
145.20613	0.3
152.07019	10.1
162.13791	0.2
164.06998	55.1
170.08008	1.7
182.08057	7.7
245.12715	0.4
287.13809	3.1
305.14795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0647
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03952	0.4
56.96595	0.4
57.03465	0.3
59.13125	0.3
62.75178	0.3
67.01871	1.3
68.99760	9.2
69.03426	0.7
69.07063	0.3
71.01363	0.5
81.03416	1.9
81.07045	0.7
85.02910	0.5
93.03383	0.4
95.04993	0.5
97.02872	0.6
98.97557	0.6
103.69874	0.3
109.02849	2.1
111.04436	2.2
121.02840	0.6
123.04380	5.7
127.03859	6.0
137.02298	100.0
137.03372	6.6
139.03835	0.4
143.10614	0.4
147.04315	0.4
149.02274	5.3
153.01773	67.8
157.06337	0.4
164.06982	0.5
167.03337	0.7
175.30936	0.3
179.03317	7.9
185.05865	0.7
195.02792	1.2
213.05258	1.5
231.06482	4.2
259.05896	3.0
287.05029	0.6
305.05524	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	305.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01855	1.8
55.05490	1.7
55.93503	1.1
56.04998	1.3
56.96548	100.0
57.03413	5.5
59.04966	0.8
61.02904	7.6
62.62191	0.7
69.03403	14.3
69.07026	0.9
70.06571	1.9
70.98089	8.1
71.01328	1.2
71.04965	4.9
71.72273	0.7
71.95231	1.4
72.08117	1.5
72.93747	1.4
73.02879	4.1
74.97579	3.9
79.05470	1.1
80.04988	1.4
80.93420	0.9
81.03385	6.6
83.04951	4.0
84.08115	1.5
84.95998	17.4
85.02374	1.1
85.02875	31.9
87.04413	1.6
88.99120	5.5
92.09303	1.5
95.01293	0.9
95.04926	4.5
97.02853	32.1
97.06501	1.0
98.97545	94.2
98.98374	2.7
99.04424	5.3
101.02338	1.4
102.97028	1.8
104.01274	1.4
107.00115	0.8
109.02840	4.9
110.97571	4.0
111.02101	1.1
111.04409	0.9
112.99100	4.0
113.05952	1.6
115.03923	0.9
116.07057	0.8
116.98582	92.1
117.35601	0.7
119.01809	8.0
119.04879	0.8
120.02542	4.2
121.01660	1.0
123.05541	1.6
124.03909	1.8
124.95447	3.9
124.99096	4.0
125.02312	66.7
127.03873	4.8
128.02249	1.0
128.98558	9.2
129.03044	4.8
131.00143	6.9
131.01820	1.7
133.01686	1.0
133.03394	1.8
134.99608	70.7
136.06139	4.2
137.02919	1.2
138.03625	1.3
138.97282	1.2
140.00201	1.0
140.98520	1.7
141.01065	1.0
141.06540	3.9
142.96494	8.1
143.00137	10.7
143.02113	1.4
143.03342	36.4
144.98061	1.3
145.01689	2.8
145.03378	3.5
145.04857	2.7
146.99593	7.7
147.03166	1.5
149.01181	4.9
150.96785	1.4
153.00635	11.4
154.94139	1.1
156.03500	1.0
157.03409	1.5
158.01193	1.3
158.99617	11.8
159.03200	1.2
160.97549	4.5
161.01167	17.1
161.02908	5.0
161.06512	1.1
162.99088	1.9
163.04214	1.0
165.00690	1.9
170.95970	1.1
171.03989	1.0
172.95158	1.0
172.97531	6.3
173.01186	3.6
173.02777	2.6
174.99002	1.5
175.02776	1.6
175.04529	1.9
177.00656	28.6
178.98628	1.3
179.02222	6.6
184.97565	1.0
185.01143	3.5
185.02789	1.5
186.99055	3.2
188.97006	14.5
189.00653	5.3
189.02298	1.6
190.98563	22.3
191.02263	3.1
191.97044	1.0
192.96521	3.6
193.00098	6.1
195.01666	3.5
197.03125	0.9
201.00728	3.8
202.05949	5.9
202.56152	1.4
202.98596	4.8
203.02208	8.5
203.03897	2.4
205.00169	3.6
206.98050	12.8
207.01752	1.8
208.99654	7.2
210.97624	1.9
211.01161	1.1
212.97108	1.0
214.98491	1.4
219.01649	6.2
220.99615	3.9
221.03204	1.8
221.05109	3.4
230.98013	11.1
232.99640	5.7
233.98256	0.9
237.02742	5.4
245.05000	4.8
248.99080	66.2
255.56606	1.0
259.06448	1.2
263.00565	6.3
267.00128	63.0
281.01685	8.9
281.05246	1.1
299.02820	1.0
305.01898	3.8
305.05713	8.5
305.11960	64.5
305.59137	0.9
309.01303	1.4
323.03003	1.2
323.06339	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	304.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36489	0.2
53.03926	0.3
55.05468	0.4
56.96534	0.3
57.03412	0.5
61.02905	0.5
65.64175	0.2
67.05480	0.5
69.03397	1.1
69.07040	0.4
70.06564	6.7
73.02875	0.3
79.05462	2.6
81.03395	0.6
81.05759	2.1
81.07024	3.0
85.02876	3.2
86.09714	0.3
92.61601	0.2
94.06522	1.1
95.04932	1.1
96.04454	0.5
96.08092	13.0
97.02850	0.6
98.83997	0.3
106.06511	1.0
107.40734	0.3
112.07587	3.4
124.07547	100.0
124.13790	0.3
142.08594	66.9
212.18506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.6
56.96540	0.5
57.03416	0.7
61.02899	0.7
66.08470	0.3
67.05450	0.4
69.03393	3.7
70.06205	0.4
70.06557	5.7
71.04949	0.3
79.05450	6.5
80.04997	0.4
81.03373	0.8
81.05775	4.0
81.07024	4.7
82.06506	0.3
83.04948	0.3
85.02873	4.9
86.09677	0.3
87.04424	0.4
92.08691	0.6
94.06493	1.7
95.04942	0.5
96.04449	0.8
96.08089	12.9
97.02845	1.9
98.97570	0.4
106.06527	0.7
109.02818	0.5
112.07558	4.3
113.69313	0.3
124.07544	100.0
125.05921	0.4
127.03838	0.5
140.07002	0.5
142.08589	20.8
153.58214	0.3
158.08060	0.4
191.88171	0.4
206.87251	0.3
209.44212	0.4
304.13937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.3
53.03940	1.7
54.80978	0.9
55.01851	1.2
55.05495	2.0
56.98943	0.8
57.03425	7.6
58.06581	2.2
60.04520	9.5
61.02907	5.8
67.05481	1.9
67.95392	1.0
69.03411	21.9
69.07043	70.3
70.06562	1.7
71.04958	1.8
71.08598	37.0
72.08139	1.1
78.68739	0.9
79.05495	1.8
81.03378	11.6
81.07025	2.1
84.04498	5.2
85.02875	72.4
86.02417	10.1
86.06066	1.2
91.05436	1.6
93.07010	2.5
96.04451	1.3
96.08109	6.7
97.02852	43.3
97.06506	8.8
99.04386	1.7
103.03900	4.3
107.04950	1.4
109.02853	12.7
114.09135	30.0
123.04348	2.1
127.03882	10.9
137.02278	1.3
137.05933	1.4
138.09116	6.0
142.08594	100.0
145.04910	4.5
147.99171	1.2
156.10161	2.4
167.06996	12.9
168.07309	10.6
180.10115	1.2
184.09625	60.0
189.31102	1.0
208.09656	14.4
220.09590	2.6
250.10666	6.3
304.05438	2.2
304.13953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1947
Annotation	[4aS-(4aalpha,5alpha,6alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
55.01857	1.2
55.05485	3.1
57.07054	5.0
59.04985	1.8
59.99077	1.0
65.72289	0.6
67.05480	9.3
69.03410	5.9
69.07034	3.4
71.04980	1.7
76.01080	0.7
79.05461	7.0
81.07031	12.0
83.04924	1.5
85.06519	4.2
86.72526	0.7
88.02179	4.1
88.07584	4.3
91.05462	7.4
93.07014	10.5
95.04934	14.3
95.08567	26.5
97.02858	1.1
97.06480	3.3
104.99251	0.8
105.07007	15.8
107.08572	8.6
108.05627	0.8
109.06501	8.5
109.10125	3.6
111.04398	0.9
111.08048	1.3
111.66058	0.8
113.05975	0.9
116.05259	1.9
117.06985	1.8
119.08536	16.8
121.06461	5.2
121.10101	3.3
122.07253	5.1
123.08028	44.6
125.05978	0.8
128.06216	1.2
129.06941	2.9
131.08548	5.8
133.06465	5.7
133.10094	17.3
135.08038	5.3
135.11655	4.5
137.05933	1.6
137.09549	6.0
141.06944	0.9
142.07761	3.4
143.08554	6.1
144.09206	1.0
145.06435	1.4
145.10089	7.2
147.08028	7.2
147.11626	3.0
147.44318	0.8
148.08769	5.4
149.09584	3.2
151.03894	1.1
151.07504	38.1
155.08495	1.4
156.09300	3.1
157.10069	7.4
159.07990	1.6
159.11636	7.5
160.08769	1.1
161.09558	8.7
161.13226	1.8
163.11140	1.4
165.09119	5.3
167.07001	3.0
168.09294	1.6
169.10080	3.2
171.11682	3.2
173.09599	3.3
173.13164	3.6
174.10358	1.0
175.11142	4.8
179.10605	5.2
183.11644	3.3
185.09474	1.1
186.10284	1.4
187.11143	3.3
189.12688	9.4
190.13385	0.8
195.11638	1.5
197.11641	1.2
201.12714	3.3
203.10570	1.2
203.14246	1.6
207.13756	13.7
209.13145	1.4
211.10995	1.1
221.15356	0.9
229.12106	3.4
247.13287	1.1
254.28304	1.4
285.18134	1.2
295.86661	0.9
302.30319	1.6
303.04868	5.8
303.19443	100.0
303.30612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
53.03925	0.4
54.16306	0.3
55.01849	1.3
55.05490	0.7
56.28688	0.3
57.03407	0.7
62.97679	0.3
65.03912	1.9
67.01839	0.5
67.05468	1.7
68.99767	6.5
69.03407	0.7
69.07046	0.7
70.06552	1.3
71.04954	0.6
79.05465	2.6
80.05808	0.4
81.03386	1.9
81.07015	4.2
83.04959	0.7
84.08100	0.5
85.02876	0.7
91.05428	2.4
92.05760	0.3
93.03362	1.8
93.07027	2.6
95.04932	2.7
95.08556	2.6
97.02820	0.6
97.06493	0.8
105.03344	0.6
105.07007	1.4
107.04927	0.5
107.08553	1.9
109.02845	3.7
109.06475	0.4
109.10122	0.4
111.00760	4.5
111.04401	0.5
115.05424	0.6
117.07004	1.4
119.08542	0.6
121.02843	4.6
123.04385	2.2
123.08031	0.8
125.09499	0.5
127.03854	1.6
129.07001	0.4
131.04890	0.6
131.08504	0.4
133.02823	0.5
133.06464	0.4
135.04353	1.4
135.08008	2.0
137.02307	18.5
137.03410	1.7
137.05934	2.8
141.09048	0.7
141.77332	0.3
145.06448	2.1
149.02333	1.2
149.05896	0.5
153.01773	20.4
153.09091	0.8
155.04860	1.6
155.06001	0.3
157.06435	0.3
159.04315	0.7
161.05907	6.3
162.06310	4.8
163.03848	2.9
163.07394	1.2
165.01778	15.6
166.02551	0.8
171.10135	0.8
173.05913	3.5
177.05406	0.4
179.06912	1.4
179.51192	0.3
180.07269	1.3
182.08353	0.6
183.02835	4.1
183.04366	1.9
187.03835	2.1
191.03416	0.7
195.02844	0.7
195.09157	0.5
196.09862	2.4
201.05420	9.7
204.07240	0.4
205.04890	1.4
211.12198	1.7
211.52750	0.3
219.06514	1.3
222.08350	1.3
228.04121	2.1
229.04880	18.6
229.13248	1.3
239.11684	1.7
245.04399	0.7
247.05943	3.4
257.04346	14.3
257.12720	0.8
258.05081	0.3
266.21027	0.6
267.21225	0.4
274.04565	4.0
275.05383	3.5
275.13818	1.3
284.22137	1.5
285.03925	3.0
285.12256	4.6
302.23248	0.6
303.04886	100.0
303.13211	15.4
303.23318	0.6
304.05087	0.7
310.87805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0858
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
55.01870	0.5
55.05495	1.0
57.03421	0.4
65.03928	0.6
66.15404	0.3
67.01834	5.9
67.05468	1.4
67.25173	0.4
68.02625	0.5
68.99783	0.9
69.03410	0.8
69.07037	1.7
71.04987	0.6
71.09785	0.4
78.99998	0.4
79.05487	3.5
81.07026	3.5
83.04951	1.8
89.03878	6.0
91.05448	2.1
93.06987	3.3
95.04934	2.0
95.08577	1.1
98.97602	0.8
99.04453	0.6
102.06560	0.4
104.41930	0.4
105.06996	3.0
107.04929	2.5
107.08565	2.7
107.38199	0.4
109.10123	0.9
111.04414	7.6
117.03346	9.7
119.08554	3.3
121.10033	1.5
122.03602	0.5
123.04390	2.6
125.02316	2.2
130.07802	0.5
131.04904	0.5
133.10095	0.6
135.04372	21.3
135.05403	0.7
135.08031	0.7
137.02328	1.8
137.05937	8.4
137.09570	0.6
138.40054	0.5
139.03873	2.3
143.08493	0.5
145.02814	13.9
145.03938	0.6
145.10100	2.5
147.04420	0.6
147.11673	1.8
151.03793	0.4
153.01752	0.7
154.92195	0.4
157.10094	0.8
159.04376	2.0
159.11623	1.7
161.13150	0.6
163.03848	57.3
165.05466	0.5
167.03345	100.0
185.04401	6.3
187.03850	2.1
193.04913	3.5
197.06023	0.4
199.14749	0.6
205.04907	0.8
229.04906	1.8
280.10480	0.5
285.07358	0.6
303.04874	7.7
303.08478	47.8
303.23038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01873	1.9
56.96551	32.5
57.03409	3.2
57.44577	1.7
61.02899	3.9
67.05478	8.3
69.03407	16.3
70.06568	20.1
71.04952	2.6
71.06908	3.0
73.02878	3.8
81.03391	4.5
82.03700	2.4
83.75439	1.9
85.02882	23.4
94.06537	2.8
95.04910	4.9
97.02846	9.4
98.97531	9.3
100.20210	1.9
109.02846	17.0
110.07131	22.4
111.04348	2.7
112.07565	11.8
116.07010	2.4
116.98557	10.5
119.01846	3.2
122.05988	10.8
123.04391	54.5
123.06307	3.1
127.03872	5.2
134.99608	2.1
135.04512	2.0
137.02315	3.8
137.05928	3.6
138.43124	2.0
139.03893	3.9
140.03406	5.1
140.07016	3.6
141.03685	3.4
141.03870	3.6
141.05209	100.0
142.08577	9.7
142.78864	2.5
146.51248	2.0
147.04353	2.7
152.01268	2.0
153.01804	20.8
154.74850	2.2
155.00137	12.1
163.03925	2.6
165.01830	4.0
173.01161	14.7
177.05453	4.2
185.04138	21.1
203.91673	2.1
205.00232	2.5
205.93730	2.2
214.13678	2.2
229.04887	3.4
237.02762	4.4
285.03769	2.2
297.01294	2.5
303.05005	29.2
303.10464	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0489
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01831	0.5
65.03920	0.6
68.99760	4.3
73.19887	0.4
81.03375	0.7
85.96005	0.3
93.03359	0.8
95.04924	1.8
97.46487	0.4
105.03336	0.4
109.02837	2.5
111.00755	3.3
121.02820	3.1
122.46148	0.4
123.04380	1.4
131.04906	0.5
135.04387	0.7
137.02296	14.3
137.03282	0.7
145.06453	0.5
149.02298	1.5
153.01770	15.6
155.04861	1.9
161.01828	0.4
161.05911	1.4
163.03874	1.7
165.01781	5.7
166.02542	0.6
173.05960	3.1
179.03491	0.5
183.02823	2.8
183.04378	1.4
187.03880	0.5
195.02762	0.7
201.05408	7.3
205.04819	0.6
211.03819	0.6
219.02872	0.5
219.06441	0.4
229.04887	13.4
247.05888	2.1
257.04340	9.5
274.04626	2.0
275.05469	0.5
285.03815	2.4
303.04883	100.0
304.05170	0.5
311.48392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48183	0.2
54.80741	0.2
56.96530	1.3
64.32071	0.2
65.29807	0.2
67.69964	0.2
89.92669	0.2
98.97546	10.1
99.97901	0.9
100.97153	0.3
100.97933	0.4
101.00835	1.1
102.96798	0.3
116.98577	8.9
117.98893	1.0
118.98165	0.4
118.99001	0.4
119.01876	9.6
120.01984	1.2
120.97800	0.3
134.99623	4.5
135.59085	0.2
135.99930	0.4
137.02896	4.5
138.03041	0.4
153.00734	1.4
158.99863	0.3
177.00883	21.5
178.00958	6.1
193.04008	0.4
195.02016	0.3
201.00793	1.3
202.01016	0.4
203.02449	0.8
217.04008	4.2
218.04065	1.4
219.01933	32.6
220.02032	10.4
225.00746	1.4
226.00836	0.8
242.03391	0.3
243.01872	5.2
244.01971	1.8
256.96567	0.2
260.04514	0.3
261.02936	100.0
262.03082	39.6
263.03052	0.4
267.41101	0.2
274.97437	0.4
275.04483	0.3
277.00711	0.3
279.00571	4.2
279.97989	0.4
280.00772	2.8
284.00037	0.2
284.04538	1.5
284.99667	0.3
285.04745	1.0
302.05496	1.1
303.00766	1.2
303.06119	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	302.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.4
54.81560	1.0
55.01835	1.1
55.05497	1.0
57.03399	6.1
60.64384	1.0
61.02905	7.9
61.58457	0.9
63.65276	1.0
65.03916	2.5
65.11755	1.1
67.05479	50.5
69.03403	29.6
69.07042	75.0
69.07416	2.8
70.02911	1.4
70.06557	7.8
73.02889	1.7
81.03395	11.3
83.01271	1.4
85.02367	2.4
85.02877	63.8
86.02417	1.1
94.06528	4.8
94.85487	1.1
95.04336	2.3
95.04930	68.0
97.02852	44.9
99.04412	1.8
103.03889	4.9
109.02852	14.0
112.06796	2.3
112.07568	59.3
113.05955	8.1
122.05978	5.7
123.04363	2.0
124.07543	5.3
127.03873	8.7
130.55585	1.3
136.07506	1.9
138.05516	1.1
140.07019	100.0
145.04893	4.4
152.07014	1.8
154.08519	5.7
171.89528	1.3
178.08592	1.9
182.08080	44.8
192.66939	1.2
206.08101	11.6
218.07941	1.9
248.09053	7.4
302.11646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.01858	2.0
55.05479	1.7
57.03416	13.0
60.71713	1.1
61.02892	7.4
67.05474	15.7
68.64189	1.1
69.03400	14.2
69.07036	7.3
69.15599	0.9
70.06554	5.3
71.04951	1.4
72.08119	4.7
73.02900	1.5
79.05470	12.3
81.03387	12.9
81.07031	17.4
83.08614	1.2
85.02872	83.1
86.02412	1.8
86.04924	1.1
91.05432	8.3
92.09367	3.1
92.23701	1.1
93.05746	1.2
93.07017	5.4
94.06528	4.8
95.04929	8.9
95.08565	2.0
96.04478	1.1
97.02853	51.6
97.06479	5.3
103.03889	7.1
105.06998	4.4
107.07300	1.9
107.08597	1.1
108.08091	29.0
109.02854	14.9
109.06455	2.4
112.07598	2.2
115.04023	1.2
118.06542	1.3
119.08511	1.6
121.10089	1.4
122.05978	14.9
125.05926	14.6
126.05453	10.2
126.09103	5.8
127.03894	11.5
133.21004	1.1
136.07536	36.7
140.07018	39.4
145.04945	6.5
145.10088	1.6
150.09088	11.1
152.07039	30.8
154.08562	9.1
164.07002	35.1
171.11290	1.6
172.10735	1.3
178.08551	27.7
182.08058	100.0
184.61502	1.2
194.15378	2.6
206.08051	30.2
212.16469	1.1
218.08118	4.8
236.09045	1.8
248.09013	7.2
248.19960	1.3
266.20911	4.3
284.22171	9.9
291.78311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71309	1.3
53.09426	1.3
54.81064	1.6
55.06667	1.1
61.02844	1.5
69.03391	3.0
71.41689	1.5
76.55537	1.5
92.09261	1.4
96.32043	1.3
97.94497	1.8
101.00843	10.8
119.01875	36.4
133.03339	3.0
134.05942	8.5
135.06303	2.0
137.02879	7.1
141.06511	10.0
145.03444	11.8
152.07025	10.8
153.07397	1.6
156.97427	42.3
157.03415	18.4
161.02885	2.4
164.07051	2.1
174.98474	85.1
175.04474	10.1
180.97394	6.1
181.05411	1.5
182.99112	1.8
194.98940	2.4
198.98454	91.7
205.05510	9.2
210.98470	2.6
213.00026	67.9
216.99518	38.0
220.70232	1.3
222.70306	1.5
223.06522	5.8
224.99966	7.8
231.01118	14.5
243.02596	1.7
285.02011	6.6
303.03134	100.0
321.04196	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00888	0.3
52.80516	0.3
53.03940	3.3
53.55084	0.3
55.01844	0.6
55.33665	0.3
55.68425	0.4
57.03407	0.6
61.02900	1.8
65.03925	0.6
67.05469	0.6
69.03395	3.5
73.02881	0.6
77.58616	0.3
81.03353	1.4
85.02879	12.0
95.04932	82.4
97.02837	2.5
105.04478	0.7
109.02827	0.9
109.93932	0.4
111.04417	1.4
121.02825	41.7
127.03858	1.5
128.31383	0.4
139.03857	100.0
145.04942	1.6
150.58783	0.4
236.47701	0.5
239.63452	0.5
301.12473	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0863
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
50.02924	0.2
50.58702	0.2
52.21866	0.2
53.00280	0.2
53.03920	0.5
54.80470	0.2
55.01836	0.4
56.41488	0.2
56.96537	1.0
57.03410	0.9
61.02910	1.6
63.39736	0.2
69.03075	0.3
69.03401	4.1
70.06566	1.6
71.04964	0.2
73.02867	1.0
78.03414	0.9
81.03387	1.9
84.08105	0.2
85.02870	9.1
87.04432	0.4
91.03934	0.4
94.02859	0.2
95.04964	0.3
97.02844	3.0
98.97535	0.3
99.04426	0.8
100.18138	0.2
107.04880	0.2
109.02841	1.2
110.33723	0.2
110.59627	0.2
122.02370	1.5
122.05898	0.2
127.03840	1.0
127.08704	0.3
134.06004	0.5
134.88783	0.2
134.99651	0.2
140.03380	100.0
140.07019	1.3
142.08630	1.8
142.45163	0.2
145.02808	0.3
145.04944	0.8
152.07022	1.6
153.01811	0.3
163.03827	1.4
220.47871	0.2
249.02541	0.2
302.08743	1.9
302.11557	0.3
302.15814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	5.3
56.96523	5.3
57.03407	7.2
61.02910	10.4
61.52637	4.3
63.69039	3.6
69.03400	21.9
70.06546	6.0
73.02895	8.3
77.80248	4.3
85.02876	88.8
95.04958	4.7
97.02855	30.2
98.97540	5.1
100.01107	4.0
109.02819	9.2
113.38133	4.7
116.98569	4.8
121.07589	21.2
126.23364	4.6
127.03849	8.5
134.99582	5.8
139.08621	82.7
145.04968	20.6
157.60986	5.2
163.06033	8.0
184.32712	4.5
206.60782	5.4
238.27737	5.0
301.12433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1064
Annotation	Gymnogrammene
Peak:m/z	Relative Intensity
54.80764	0.3
55.01852	0.3
55.05487	0.5
56.96545	0.3
67.01846	6.3
67.05476	0.5
68.02629	0.3
68.99771	1.2
69.03403	0.4
69.07048	0.5
72.08131	0.6
79.05479	2.1
81.07009	0.5
83.04971	0.3
91.05434	0.6
95.04916	0.6
95.08569	0.6
99.04390	0.4
103.05415	1.3
105.07008	2.1
107.08541	0.4
109.06487	1.6
111.04416	4.3
116.98627	0.3
118.04140	2.4
121.06494	2.4
124.01533	0.3
124.24939	0.3
124.57948	0.2
133.06447	26.9
135.04341	0.4
135.07979	0.7
135.11684	0.3
137.05913	2.4
139.03831	0.5
161.05928	43.7
167.03339	100.0
185.04402	4.3
193.04893	1.0
193.25735	0.3
203.06975	0.7
213.34174	0.3
249.18961	0.3
258.05106	1.2
282.27744	0.6
286.04587	2.4
300.28772	1.7
301.07086	3.3
301.10577	39.5
301.29080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0699
Annotation	Peltochalcone
Peak:m/z	Relative Intensity
53.03924	0.6
54.63454	0.6
54.80672	0.7
55.01859	6.5
55.05495	0.8
61.20133	0.6
62.21481	0.6
63.00568	0.6
63.27271	0.5
67.05481	2.5
68.99763	4.1
69.03407	5.0
69.07039	1.2
79.05457	11.2
81.03375	2.5
81.07027	3.9
86.09657	0.8
89.03883	1.4
91.05432	1.5
93.03368	1.5
93.07008	1.2
95.04928	7.0
95.08573	1.2
98.97536	1.1
103.05440	1.0
105.06992	1.2
107.04921	12.2
109.02867	0.8
115.05415	0.8
117.03351	3.5
117.06985	0.7
119.08559	1.1
121.71030	0.6
123.04352	0.7
127.03812	1.1
129.06947	1.1
131.04904	3.5
133.10023	0.8
135.04362	29.4
135.11710	0.7
137.01233	1.4
137.02298	37.9
137.03299	2.0
144.71632	0.7
145.02766	5.8
145.06482	0.8
147.11615	0.7
149.05962	1.2
153.06966	1.1
157.06383	2.3
163.03839	48.8
165.01816	3.6
165.05435	14.7
165.06833	1.3
169.06425	0.7
170.15364	1.2
171.04376	1.1
175.07404	0.7
177.05450	0.8
181.06490	2.8
183.02859	3.7
185.05908	2.9
187.03830	6.1
189.05553	1.0
191.03322	100.0
198.06581	0.7
213.05302	6.7
217.04913	6.8
226.06190	0.9
241.04874	3.9
241.08534	0.7
259.05914	17.7
301.06973	11.8
301.10583	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	301.091
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.59524	0.3
51.92070	0.4
53.03936	3.3
54.46811	0.4
55.01854	0.5
57.03408	0.8
58.01614	0.3
61.02898	1.0
65.03896	1.0
65.83623	0.4
66.21500	0.5
67.05486	0.8
69.03408	3.2
73.02863	0.5
81.03384	2.1
82.41347	0.4
85.02879	10.6
91.20058	0.4
92.09525	0.4
95.04932	80.5
97.02843	3.3
98.28574	0.4
99.04418	0.5
105.04497	2.4
109.02785	0.4
111.04444	0.9
121.02822	40.3
127.03891	1.9
139.03857	100.0
139.08661	2.4
145.04913	0.9
254.75417	0.6
285.13382	0.5
301.12445	12.6
307.96103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0912
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.03924	1.1
55.01848	1.0
56.96530	0.5
57.03412	3.3
61.02905	4.1
64.32653	0.8
65.03918	16.1
66.70806	0.6
69.03418	8.4
70.06557	1.4
70.98504	0.7
71.04977	1.5
78.93421	0.7
81.03390	4.1
85.02878	27.8
93.03374	19.9
95.04934	0.7
97.02874	7.3
99.04485	0.9
109.02849	3.4
111.04410	100.0
116.98627	0.8
121.07596	4.6
122.70494	0.8
127.03851	3.5
128.13789	0.6
137.02290	1.3
139.03862	82.1
139.08607	5.1
145.04912	1.2
153.01822	0.7
168.45552	0.8
217.95045	0.7
231.90916	0.8
301.12411	17.2
309.23672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2891
Annotation	Sphingosine
Peak:m/z	Relative Intensity
55.05491	9.4
56.05001	0.9
56.96537	1.1
57.03416	5.6
57.07049	0.8
58.06574	4.4
58.95176	0.6
59.04994	0.8
61.91167	0.6
63.37706	0.7
65.29854	0.6
65.70915	0.7
67.05481	18.4
69.07039	9.2
70.06554	3.1
72.08123	40.1
79.05468	6.1
79.83904	0.6
81.07025	16.6
83.08575	4.3
84.08118	7.8
85.06504	1.3
85.08887	10.1
86.09680	1.3
91.05464	1.3
92.09290	0.8
93.06985	6.9
95.04935	0.9
95.08573	12.1
97.03930	0.7
97.10110	1.2
98.04218	0.7
98.09649	11.0
107.08559	4.8
109.10109	5.5
112.11184	1.4
117.35368	0.7
121.10102	1.6
123.11633	1.7
164.55594	0.9
264.26706	3.6
282.27808	66.8
300.28867	100.0
308.85559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	8.0
58.35419	0.3
83.04967	0.4
98.97544	100.0
113.33401	0.4
116.98579	61.7
118.98215	0.4
119.01884	0.6
134.31932	0.3
134.99612	24.3
140.00160	0.4
153.00648	3.7
155.07033	0.4
201.19858	0.4
221.85365	0.4
234.99812	0.6
238.92885	0.4
239.45857	0.4
240.98615	1.4
258.99643	25.4
277.00705	67.2
294.98447	0.5
295.01764	1.3
300.02322	0.5
300.09909	0.8
321.45972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91407	1.9
55.01847	3.7
55.05484	14.1
56.96536	8.7
57.03418	18.7
57.07037	2.2
58.87493	2.0
59.04979	2.0
65.71192	1.8
67.05484	41.9
69.07048	19.8
71.05002	6.9
78.46586	1.9
79.05454	24.9
81.07028	100.0
83.04947	9.2
83.08598	3.6
85.06509	11.0
91.05452	39.7
93.07014	20.2
95.04927	4.5
95.08572	30.1
97.06472	12.6
98.97562	11.1
99.08025	2.5
105.07005	44.9
107.04958	2.7
107.08549	13.3
109.06493	8.2
109.10154	3.3
116.98643	6.7
119.08545	36.6
119.09317	3.2
121.10100	17.4
123.07946	2.7
123.11650	19.7
129.06960	9.3
131.08534	9.8
133.10071	13.9
142.07744	2.8
145.10022	2.5
147.10509	2.4
147.11653	55.4
149.09547	2.3
157.10129	11.1
165.12691	29.1
172.72966	2.2
175.11050	4.4
193.12135	4.4
204.54558	2.3
222.21808	2.3
281.22162	2.5
298.27731	2.7
299.06049	3.3
299.18417	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	299.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41140	0.6
53.00292	0.8
53.03914	0.7
54.98891	0.8
55.05498	18.4
57.07045	5.5
61.33829	0.7
65.78939	0.9
67.05482	23.6
69.07042	22.9
70.27212	0.8
71.08546	1.0
78.64678	0.8
79.05452	5.2
79.72282	0.8
81.07028	33.9
83.08585	10.0
89.13995	0.8
91.05434	5.8
93.07013	22.3
95.08569	80.8
95.14264	0.8
95.19062	1.0
97.10130	9.0
103.31791	0.8
105.06992	25.4
107.07886	1.3
107.08563	26.4
109.10117	38.3
111.11796	0.9
117.06908	1.4
119.08533	21.6
121.10104	24.2
123.11667	13.9
131.08517	4.9
133.10106	18.9
135.11636	13.6
137.13205	5.6
145.10081	8.6
147.11635	24.7
149.13219	11.4
159.11607	6.0
161.13210	25.7
163.14784	6.4
173.13162	4.6
175.14758	9.3
177.16362	5.7
186.10443	0.9
187.14746	1.8
189.16315	16.2
191.17831	8.7
201.16289	9.9
203.17908	18.4
215.17928	8.6
217.19444	9.6
229.19461	4.6
230.24771	1.5
242.84416	1.0
243.20992	5.1
257.22510	2.1
258.24252	4.9
299.27228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0904
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
54.98541	0.3
59.42947	0.3
59.77411	0.3
62.40431	0.4
65.46541	0.4
67.05460	0.8
72.08118	0.6
72.25166	0.3
78.14146	0.5
93.11865	0.4
124.01521	1.8
133.06451	2.3
167.03326	4.4
171.67514	0.5
197.05881	0.8
201.05394	0.8
213.05312	0.5
227.07062	0.7
241.04933	0.7
256.07208	62.0
280.26297	0.6
281.26556	0.6
284.06683	26.1
298.27148	0.7
299.09030	100.0
300.09338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0907
Annotation	3',7-Dimethoxy-3-hydroxyflavone
Peak:m/z	Relative Intensity
51.39154	0.1
55.05481	1.0
56.96570	0.2
57.07055	0.3
61.42231	0.2
69.07034	1.1
74.52172	0.2
76.46143	0.2
79.05452	0.3
81.06995	0.2
83.08581	0.3
95.08589	0.3
97.10118	0.4
119.08602	0.2
124.01524	2.0
133.06430	2.6
134.07312	0.4
135.04359	0.3
138.16609	0.2
159.04343	0.4
167.03328	3.5
185.04460	0.5
197.05923	1.2
201.05267	0.3
211.07430	0.9
213.05354	0.8
227.07004	0.8
240.26788	5.3
241.04921	0.4
255.06372	0.3
256.07208	64.9
257.07523	0.4
258.27792	2.3
284.06689	25.1
297.07672	0.2
299.09036	100.0
300.09369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2732
Annotation	Cassine
Peak:m/z	Relative Intensity
51.43907	0.8
55.05490	13.3
56.04987	1.1
57.03168	0.8
57.03405	7.7
58.06565	3.6
67.05478	22.4
69.07046	3.8
70.06550	4.0
72.07740	1.5
72.08120	42.8
79.05453	11.0
81.07019	17.7
83.08570	1.2
84.08098	7.0
85.08888	16.4
90.28793	1.1
91.05433	7.7
93.06998	12.5
95.04884	1.7
95.08561	13.7
98.09635	17.4
99.05514	1.1
105.06973	4.2
107.08557	4.6
109.10112	6.1
109.36462	1.0
110.09641	1.4
112.11209	2.3
114.77466	0.9
119.08537	4.8
121.10085	2.5
124.11221	1.2
126.54764	0.9
167.82658	1.0
168.27313	1.0
208.20552	6.1
233.05246	1.0
243.18944	1.0
262.25146	1.4
280.26245	59.4
298.27283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34341	0.4
53.03924	1.1
55.05496	28.7
55.05770	0.9
57.03413	5.5
59.04983	6.9
61.02903	3.2
69.03401	4.7
72.71453	0.5
73.06528	12.4
81.03383	1.3
83.04955	6.6
85.02873	18.3
87.04430	0.8
91.05417	0.7
97.02842	4.3
98.97575	1.1
101.05980	100.0
109.02871	0.9
119.07014	26.0
124.03902	2.0
127.03905	3.0
136.06133	2.3
136.09613	0.5
145.04942	2.3
180.08569	0.6
227.93480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2733
Annotation	Cassine
Peak:m/z	Relative Intensity
55.05500	4.7
56.05003	0.5
57.03401	3.7
57.07037	0.6
57.70861	0.6
58.06563	3.4
65.03898	0.7
67.05119	0.6
67.05482	22.4
69.07037	3.3
70.06552	3.7
72.07737	1.3
72.08128	38.7
75.40193	0.5
79.05462	11.6
81.07019	16.5
83.08578	1.0
84.08114	4.7
85.06508	1.0
85.08904	12.3
86.09679	1.0
89.78906	0.5
91.05442	5.7
92.08652	0.8
93.07005	11.7
95.04919	0.8
95.08027	0.7
95.08571	11.6
96.08089	0.7
98.09655	10.6
105.06992	4.1
107.08516	4.9
109.10098	5.2
112.11194	1.0
119.08522	2.9
121.10084	2.6
123.11645	1.0
133.10101	1.2
135.73148	0.6
140.14273	0.7
153.21954	0.6
184.20740	0.6
196.19847	0.6
200.95569	0.7
205.34384	0.6
264.93860	0.7
280.26248	57.9
298.27298	100.0
305.11362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81065	0.7
55.01859	0.9
55.05493	15.1
57.03421	8.9
57.80250	0.6
58.98529	0.6
59.04979	78.3
59.68481	0.5
61.02906	1.6
64.51688	0.6
65.67400	0.7
69.03397	6.0
70.03748	1.1
71.04979	0.9
73.02879	0.9
73.06521	8.6
81.03390	1.1
83.04958	9.1
85.02879	14.6
87.04427	1.1
91.13153	0.7
91.32451	0.7
92.08754	1.0
97.02862	3.7
98.97550	0.9
101.05978	100.0
104.63082	0.7
111.04453	0.8
114.35936	0.6
119.07006	22.6
119.07797	1.2
123.75423	0.7
129.71350	0.7
131.46719	0.7
135.02934	1.2
136.06172	3.4
136.09662	3.0
145.04909	1.2
147.04303	1.2
149.04526	0.7
152.05641	17.8
153.04025	3.3
156.53654	0.7
166.07164	9.6
180.08678	1.5
288.59277	0.8
292.98410	0.9
314.83542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.096
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.87586	0.1
55.01858	0.2
61.00845	0.3
61.01128	6.1
63.29530	0.2
69.03386	0.3
75.02674	4.6
80.00112	0.2
88.09393	0.2
92.22077	0.2
97.02806	1.5
107.28500	0.2
116.25937	0.2
119.03498	1.0
136.06137	100.0
137.04579	0.8
138.84807	0.2
145.03148	0.8
150.80313	0.2
163.04146	0.5
221.40517	0.2
231.17705	0.2
233.98593	0.2
257.77609	0.2
271.75305	0.2
298.09589	3.1
309.50555	0.2
313.10007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2417
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.01851	0.8
55.05496	20.9
56.96551	1.2
57.03411	1.3
57.07050	4.0
64.45783	0.8
66.18806	0.9
67.05480	71.4
69.07043	18.3
71.04963	15.5
71.08597	1.6
79.05463	20.6
81.07024	100.0
83.08607	10.5
85.06517	10.4
91.05453	12.8
93.07005	23.5
95.04924	1.2
95.08568	81.4
97.06485	5.0
97.10143	5.6
98.97545	3.7
99.08053	6.1
105.07005	9.9
107.08569	12.8
109.10127	30.7
111.08030	1.8
116.98589	5.4
117.06995	1.7
119.08541	8.6
121.10099	12.9
123.08041	1.6
123.11682	11.7
131.08513	6.0
133.10091	7.5
134.99615	1.9
135.11665	7.8
137.13237	4.5
145.10080	2.0
147.11635	5.6
149.09534	1.3
149.13235	2.3
159.11581	2.0
161.13185	8.4
163.14676	1.2
165.12671	1.6
179.14285	1.8
185.52045	0.9
187.14679	1.8
206.39555	1.1
261.22052	6.2
274.97314	1.4
279.23129	10.6
292.98471	4.4
297.24210	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	297.2416
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.80802	2.0
55.01837	2.4
55.05497	24.5
57.03410	13.2
57.07055	35.2
63.52057	2.1
65.82177	2.3
67.05479	43.3
68.99744	3.2
69.07035	23.0
71.01309	15.8
71.04999	7.7
71.08590	25.5
79.05446	16.7
81.07019	44.7
83.08601	12.0
91.05428	6.0
93.06996	15.4
95.08575	40.8
97.10136	5.7
103.69427	2.1
107.08541	13.0
109.10120	15.0
111.08038	2.7
113.05994	3.1
121.10138	3.0
123.87556	2.4
125.09587	3.8
125.12093	2.6
134.90892	2.7
135.11612	4.7
140.41925	2.4
141.12711	2.7
169.15833	16.5
178.34241	2.6
183.13731	100.0
197.35571	3.2
217.03795	3.1
251.23596	19.1
279.23111	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	297.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19564	3.2
52.66618	3.0
53.03927	3.7
54.09727	2.9
55.05489	23.5
56.00401	3.1
57.07051	14.2
58.02937	18.5
64.82162	3.3
67.05482	42.9
69.07062	33.6
71.08569	3.7
71.93300	3.3
79.05463	29.6
79.05861	3.1
81.07024	50.8
83.04986	4.9
83.08544	4.4
87.09196	3.3
91.04973	3.5
91.05450	31.5
92.08674	11.9
93.07015	55.4
95.04928	18.7
95.08569	80.4
97.06482	8.7
105.06997	100.0
105.09280	4.5
107.08565	36.2
109.06482	4.3
109.10117	23.2
117.06956	13.4
119.08530	62.6
121.06468	8.4
121.10094	89.8
123.08060	4.0
123.11694	37.4
129.06987	6.1
131.08475	26.5
133.07571	3.8
133.10100	44.4
135.08012	4.6
135.11647	4.9
142.07727	30.1
143.08516	8.9
145.10112	42.0
147.07967	5.0
147.11629	21.1
155.08499	3.7
156.09346	4.0
157.10054	36.2
158.10864	4.3
159.11636	21.6
161.09587	6.6
161.13257	4.9
173.13155	4.5
175.11179	8.3
175.14764	6.7
179.08376	4.3
189.13121	3.7
193.44843	4.5
296.29288	5.2
297.21841	11.0
297.29596	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	297.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	8.7
54.80968	2.0
55.01847	7.6
55.05490	11.2
57.03423	18.5
61.02896	11.9
64.85643	1.7
67.05474	21.8
69.03403	53.5
69.07035	9.6
71.01321	2.8
71.04958	7.2
72.62283	1.7
73.02869	10.6
75.40429	1.9
79.05460	21.7
81.03382	17.8
81.07018	33.8
83.04975	7.5
85.02871	40.9
87.04472	2.2
91.05428	24.8
93.07004	82.2
95.04940	16.9
95.08578	25.8
97.02853	26.9
97.06474	8.3
99.04409	4.6
103.03938	6.4
105.06997	49.8
107.08559	100.0
109.02825	4.0
109.06448	4.7
109.10126	20.5
109.92767	1.9
111.04383	2.5
111.06661	1.9
117.06978	12.6
119.08531	28.1
121.06430	4.7
121.10100	35.2
123.04366	3.6
123.07978	4.1
123.11639	3.3
127.03874	10.4
129.06938	4.3
131.08530	10.3
133.06401	2.5
133.10100	22.7
135.07977	3.5
135.11641	71.2
137.09555	2.8
142.07748	3.3
143.08560	7.6
145.10072	12.8
147.11633	15.7
153.12717	23.9
155.08531	1.9
157.10042	2.7
159.11626	9.9
163.11142	2.2
165.12689	3.2
171.11734	3.1
173.09515	2.7
175.11136	3.4
177.12610	4.2
187.11166	2.4
189.57092	1.9
201.12674	3.9
206.36346	2.0
215.66801	2.0
219.13843	3.0
243.13618	2.9
261.14761	10.1
279.15820	10.9
297.16867	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	297.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83606	0.4
53.00295	0.7
53.03931	0.9
55.01864	0.5
55.05491	5.9
56.96549	5.6
57.03419	32.6
59.04974	0.9
60.55051	0.5
61.02900	3.9
65.03931	0.6
68.43140	0.5
69.03407	14.7
69.07044	14.4
70.03723	0.6
70.11002	0.5
71.04966	37.6
72.05299	1.0
73.02881	1.3
75.04453	2.4
79.05464	3.4
81.03398	2.5
81.07026	24.2
83.04955	5.3
85.02878	22.3
86.03221	2.5
87.04443	3.0
89.03867	4.4
89.05998	3.0
91.05452	0.9
93.03356	0.7
95.04918	1.0
97.02853	4.4
98.03162	0.6
98.97548	14.2
99.04420	5.4
99.08057	100.0
100.04782	1.3
103.74834	0.5
107.01759	0.7
107.04921	2.6
107.10670	0.6
109.02843	1.0
111.04382	4.0
115.03897	1.3
116.98573	11.1
117.03344	4.5
117.05450	4.4
117.09093	28.6
117.09929	0.9
118.05785	2.6
119.07008	0.6
121.06459	2.2
123.04408	0.9
127.03896	1.2
128.98599	1.1
129.03079	0.7
129.05470	3.1
131.00174	0.8
132.95758	0.8
134.99617	5.4
135.04353	9.2
135.10118	10.5
136.06140	0.9
136.07564	1.2
139.03853	3.1
139.71414	0.6
143.00153	0.9
145.02771	4.6
145.04930	1.2
146.99608	2.1
147.04350	1.1
149.01186	3.2
149.05988	0.9
153.00749	0.9
156.83867	0.6
158.99629	2.2
161.01189	3.5
163.03839	25.9
163.08633	1.2
164.04219	1.1
164.07083	2.3
166.04918	0.8
167.02200	0.7
167.06955	0.9
173.01122	0.7
177.00700	3.5
177.05460	1.3
179.02232	2.8
187.04456	0.7
188.98427	0.7
191.02237	0.7
197.03128	2.5
197.22104	0.5
209.08054	0.5
237.02748	1.0
239.04298	8.5
240.04716	0.7
255.01517	0.8
257.05350	2.2
297.14481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2576
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03930	1.2
55.05490	8.4
55.16442	0.8
56.04998	0.8
56.96530	1.3
57.03404	4.9
58.06565	5.5
67.05479	19.7
69.03391	1.3
69.07034	2.4
70.03728	1.2
70.06548	6.0
71.04953	4.9
72.07731	1.8
72.08122	43.2
78.06744	0.9
79.05458	22.2
81.07010	20.3
81.91718	1.0
83.08557	1.8
84.08107	7.0
85.06519	1.2
85.08892	22.4
86.09666	2.2
91.05447	22.9
93.06994	21.0
94.44057	0.9
95.04910	3.9
95.08566	8.6
96.08097	1.3
97.06440	1.3
98.09665	22.1
98.59957	1.0
99.00540	1.0
105.06997	13.7
107.08546	6.2
109.10102	4.3
110.09702	0.9
112.11133	1.5
117.06966	3.8
119.08514	6.5
121.10069	2.0
131.08504	4.5
133.10049	1.8
135.11723	1.0
141.85809	1.1
145.10100	1.2
166.15860	1.6
173.72179	0.9
206.18976	1.7
248.23607	4.3
260.23599	5.0
278.24677	57.5
296.25714	100.0
311.58359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04477	0.5
52.45924	0.5
52.52319	0.5
53.03933	1.2
55.05495	11.3
56.01780	0.5
57.03424	5.2
59.04983	1.0
61.02901	3.3
65.36569	0.5
69.03407	5.4
69.07037	2.8
71.04974	0.9
71.41730	0.5
73.02879	1.4
79.05468	10.0
81.03389	2.3
81.07027	67.5
82.87444	0.6
83.08552	0.6
83.73270	0.5
85.02879	20.1
97.02852	6.1
99.08057	100.0
109.02864	2.3
115.03852	0.7
117.09089	21.7
120.19660	0.5
127.03870	4.3
128.07358	0.5
135.04407	0.6
136.00493	0.6
138.82262	0.6
145.04922	3.4
163.05977	1.2
164.04335	0.7
167.14847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
54.92427	0.7
55.01855	3.6
55.05492	3.9
57.03420	14.4
61.02910	14.2
68.99937	0.9
69.03402	28.5
69.07054	1.5
70.06568	1.3
71.04966	3.8
73.02895	6.6
79.05465	6.6
81.03385	9.5
81.07024	36.6
85.02876	100.0
86.03223	1.3
87.04469	1.8
91.03928	4.9
92.09251	1.1
97.02278	1.6
97.02853	22.8
97.03436	1.3
99.04429	4.7
99.08060	4.7
109.02827	8.0
109.98893	0.9
115.03934	1.0
117.09081	1.3
127.03865	18.8
129.78130	0.9
145.04906	26.1
163.05971	9.0
222.06273	1.2
243.12236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.5
55.01846	4.0
55.05514	0.7
56.96548	0.9
57.03426	7.5
61.02653	0.8
61.02905	12.6
66.39069	0.9
67.05468	1.1
69.03407	26.3
69.07014	0.9
71.04964	40.0
73.02881	4.6
78.30930	0.8
79.25773	0.8
79.42461	0.9
81.03383	12.1
81.07008	1.6
83.04940	1.5
85.02875	100.0
86.09645	0.9
87.04430	6.0
89.06025	1.0
91.03934	5.9
95.04924	1.1
95.06056	1.7
96.63683	0.9
97.02859	27.7
97.06496	5.1
98.06810	0.9
98.97539	1.8
99.04421	64.1
99.08038	1.7
102.60855	0.8
109.02863	7.3
115.07515	1.8
117.05453	94.4
121.06448	5.2
122.06742	1.2
127.03869	16.3
137.02284	0.9
145.04930	18.4
163.03815	4.3
163.05983	7.4
176.76723	0.7
197.86395	0.8
221.88065	1.0
250.10745	1.0
279.10672	1.9
296.11099	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.226
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.97666	2.1
52.71667	1.9
53.03929	27.1
55.01844	5.7
55.05493	36.7
57.07046	12.1
59.51571	1.9
64.33103	1.9
67.05166	2.8
67.05485	61.0
69.07041	49.5
71.08582	3.4
79.05466	41.2
81.03383	100.0
81.07027	52.6
83.04950	20.8
83.08578	12.2
91.05443	28.9
91.43745	2.4
93.06998	42.0
95.04921	46.0
95.08000	2.5
95.08554	21.2
97.06491	5.1
97.10127	5.3
104.19889	2.2
105.07001	25.6
107.08566	27.3
109.06486	4.8
109.10126	19.8
112.24831	2.3
116.55585	2.5
117.06983	3.0
119.08532	13.7
121.10067	11.3
123.07958	2.8
123.11564	2.5
125.09600	5.6
133.10083	13.4
135.08022	2.9
135.11649	10.0
143.08519	3.5
147.11661	4.2
151.11133	28.1
161.13205	12.5
165.12669	4.5
165.16217	2.2
171.11703	3.0
175.14894	2.3
177.12599	2.7
185.13144	3.5
241.19337	3.7
245.99942	2.7
259.20508	3.0
277.21524	81.3
288.12927	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2261
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03922	4.6
55.01839	5.5
55.05499	24.5
67.05481	75.2
69.07036	20.8
71.04960	49.8
71.08590	3.8
79.05002	4.5
79.05458	87.3
81.07026	78.6
83.04939	5.4
83.08579	6.6
87.23296	2.6
91.05450	33.1
93.07005	100.0
95.04922	11.3
95.08568	56.5
97.06493	21.5
105.06989	19.7
107.08560	52.0
109.06457	4.7
109.10126	17.1
111.08080	2.9
114.35033	3.0
119.08533	15.0
121.10097	68.3
123.08035	3.3
123.11675	3.7
131.08495	11.0
133.10040	11.3
135.11662	45.2
145.10139	5.9
147.11574	4.0
149.13179	6.5
159.11633	5.9
197.74998	2.8
204.81984	2.9
253.34520	3.0
277.21573	39.2
295.22552	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	295.2262
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.93370	3.8
55.01854	21.1
55.05498	72.4
57.03410	8.7
57.07066	17.1
62.63316	3.7
63.74683	3.6
67.05485	68.8
69.03396	6.4
69.07053	39.9
71.08595	21.0
76.82322	4.1
79.05457	58.6
79.25651	4.2
81.07024	100.0
83.04965	25.5
83.08599	25.4
91.05450	50.6
93.07014	67.0
95.04929	20.9
95.08572	58.0
97.06512	8.4
97.10148	5.0
99.08080	18.3
105.06977	32.4
107.08562	26.8
108.46642	4.6
109.06501	8.0
109.10136	9.2
111.08023	7.3
113.09641	5.0
119.08533	10.1
121.10109	19.4
123.11647	8.5
129.06969	5.2
131.08522	10.7
133.10068	22.0
135.11589	8.9
139.11154	6.6
145.14757	4.3
147.11665	9.4
148.04420	4.4
149.13205	7.4
161.13171	5.9
261.08954	4.4
277.21512	35.1
295.22638	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.226
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02362	0.8
52.23076	0.7
53.00286	1.5
53.03700	1.0
53.03930	23.5
55.01852	12.8
55.05246	1.7
55.05494	36.4
57.03414	1.9
57.07059	10.0
59.04980	0.6
65.03906	1.0
67.05479	72.4
69.03408	1.8
69.07042	48.8
71.04951	4.6
71.08591	5.1
79.05457	47.1
81.03384	100.0
81.07024	66.4
83.04947	21.6
83.08585	10.8
85.10138	3.8
88.50333	0.8
90.13427	0.9
91.04888	1.5
91.05441	27.6
93.07005	40.3
93.07587	1.6
95.04926	50.0
95.08571	22.1
97.06480	6.2
97.10121	6.8
99.08054	2.0
104.47964	0.8
105.06994	26.1
107.04926	1.6
107.08559	25.2
109.06469	9.5
109.10118	16.9
111.08039	4.3
117.06966	4.0
119.08531	12.9
121.06424	1.0
121.10109	7.6
123.08015	3.3
123.11707	6.1
125.09576	7.4
129.06953	1.8
129.79353	0.8
130.81795	0.8
131.08516	5.5
133.06483	1.4
133.10080	16.5
135.07982	6.4
135.11626	6.7
137.09500	1.1
143.08488	1.2
145.10074	2.1
147.11630	10.4
149.09567	1.6
149.13194	5.1
151.11119	33.9
151.71294	0.8
153.09106	1.4
157.10065	1.9
161.13156	9.2
163.14726	1.7
165.12689	9.8
171.11606	3.8
173.13152	1.0
175.11148	1.7
175.14725	3.2
177.12686	1.9
179.10645	1.1
179.14220	4.5
185.13216	1.6
189.11075	0.9
189.12686	1.2
207.13741	1.6
217.19423	0.9
219.88983	0.8
231.20970	8.2
235.16795	1.1
241.19464	3.5
249.22067	2.0
259.20468	4.5
277.21515	73.1
295.22665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2261
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03924	7.0
53.76974	1.3
55.01851	7.8
55.05497	40.8
57.03413	7.7
57.07060	13.0
65.03889	2.1
67.05485	85.9
69.07047	33.3
71.04968	2.8
71.08204	2.4
71.08607	67.9
73.06528	1.4
79.05003	2.9
79.05463	77.6
81.03403	10.3
81.07029	72.4
83.04953	26.6
83.08593	22.3
85.06496	5.3
91.05447	48.0
93.07011	97.4
95.04928	22.2
95.08575	55.8
97.06490	17.5
97.10139	11.5
99.08066	34.6
103.05414	1.6
105.04456	1.5
105.07002	51.9
105.07678	2.7
106.07819	2.0
107.04897	10.6
107.08562	41.7
109.06476	5.2
109.10128	20.6
111.08085	4.5
113.09606	1.5
117.06989	6.1
119.08549	20.7
121.10105	29.5
123.11664	2.0
125.09567	2.0
129.06953	3.2
131.08540	2.2
132.25702	1.2
133.06465	9.5
133.10075	15.1
134.07201	5.4
135.08032	13.1
135.11649	33.1
136.70177	1.5
137.09566	5.4
141.09070	5.4
143.08571	2.6
145.10057	5.9
147.11635	6.0
149.13226	8.3
151.07486	2.1
151.11133	20.7
153.12740	3.0
159.11633	1.8
161.13208	14.0
163.11131	7.9
163.14677	1.5
165.03584	7.8
175.14723	1.7
177.12691	2.3
179.14253	100.0
189.12704	2.1
199.14737	2.7
235.16647	2.8
259.20535	2.9
277.21521	50.8
295.22473	1.7
307.49716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.226
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.00290	2.0
53.03924	1.6
55.01860	10.6
55.05241	1.7
55.05499	40.1
57.03407	2.4
57.07055	2.3
62.53344	1.1
65.03928	1.4
67.05113	2.0
67.05481	56.0
69.07046	94.9
71.04964	6.8
71.10990	1.4
73.06501	1.2
77.22184	1.0
77.28195	1.3
79.05466	48.2
81.03403	2.5
81.07027	100.0
83.04949	9.2
83.08581	14.8
83.57965	1.1
85.06516	7.5
86.64645	1.0
91.05445	27.9
93.07008	50.3
95.04927	6.1
95.08566	49.6
97.06495	13.5
97.10147	5.5
99.08055	9.2
100.87523	1.3
105.06998	28.4
107.08565	29.9
109.06488	7.2
109.10137	13.5
111.04406	2.3
111.08077	2.5
112.92204	1.2
113.09627	1.8
117.06961	2.4
119.08528	21.8
121.06431	1.3
121.10093	27.6
123.08010	9.7
123.11666	6.2
125.09576	13.1
128.06084	1.2
129.06966	3.0
131.08536	7.9
132.94321	1.4
133.10081	11.9
135.11641	22.1
137.09561	1.2
137.13060	1.1
139.11153	1.7
143.08543	4.7
145.10092	6.7
147.11655	16.1
149.13211	6.8
157.10060	2.2
159.11652	4.8
161.13132	8.3
163.14784	2.1
171.11639	7.1
173.13202	2.5
175.14760	2.3
179.14157	1.9
189.12671	2.4
195.13658	1.5
207.13884	1.4
216.29543	1.3
241.19360	3.0
259.20514	6.7
277.21509	33.0
295.22488	20.0
309.14908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1015
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.40245	0.9
55.01849	1.9
57.03418	69.9
59.04976	2.1
61.02901	15.8
63.18398	0.9
69.03403	73.5
71.01319	13.6
73.02886	100.0
79.05444	1.6
81.03362	3.6
85.02875	71.4
87.04443	9.7
88.75082	0.9
92.81422	1.2
97.02853	56.1
99.04442	1.6
101.02313	1.1
103.03925	1.9
107.08550	1.6
109.02863	2.6
115.03895	43.5
117.33469	1.1
119.04926	1.6
127.03862	9.4
133.04924	13.5
137.05931	1.1
141.45396	1.2
145.04900	10.9
147.04413	1.4
149.87169	1.3
223.06017	1.7
241.06932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85845	0.1
55.01846	0.2
55.05474	0.3
56.31390	0.1
56.96541	0.1
57.03411	1.3
57.04541	1.0
59.04964	0.2
61.02897	0.9
69.03407	4.5
69.07037	0.7
71.04949	0.1
73.02875	0.9
75.04429	0.1
81.03387	0.8
85.02878	7.9
87.04429	1.0
87.08075	0.8
91.03905	0.2
92.09271	0.2
94.04024	3.4
96.05581	0.3
97.02843	2.3
97.10104	0.2
99.04442	0.3
101.02341	0.2
106.04000	0.2
108.04303	0.2
109.02869	0.6
109.05076	0.2
112.05055	0.7
115.03899	0.7
119.03479	0.2
121.05028	0.3
123.06625	2.4
126.46124	0.1
127.03884	1.1
133.04988	1.4
135.04378	0.2
135.05368	0.5
136.07619	0.1
145.04892	1.3
148.06107	0.3
150.07706	100.0
151.06236	0.2
165.06917	0.2
221.05911	2.2
249.05450	0.7
267.03891	0.2
295.06049	1.0
295.11377	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1017
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.17078	0.8
51.64852	0.8
53.00280	0.8
54.58023	0.9
55.01857	4.0
55.05495	0.9
56.96550	2.2
57.03421	73.0
59.04983	2.2
61.02907	16.0
65.07091	0.8
67.05472	1.1
68.52922	0.8
69.03406	73.1
71.01328	16.1
73.02889	100.0
81.03397	4.4
85.02876	73.0
87.04448	4.0
91.05396	1.0
95.08558	0.9
97.02857	62.7
99.04423	1.7
109.02847	3.7
110.05257	1.5
110.06008	44.3
115.03899	44.3
120.08072	1.9
121.02837	5.0
123.04385	1.1
127.03854	9.4
133.04910	11.4
140.06996	7.9
142.08607	2.0
145.04967	6.7
154.08646	1.1
155.16022	1.0
156.10217	1.9
161.60876	0.8
163.06035	1.2
168.96875	1.0
178.08553	1.5
221.05840	2.1
231.11234	1.3
241.06996	3.7
241.97644	1.0
249.05360	1.6
280.98486	1.1
295.06018	2.0
295.16336	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1016
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.32182	1.0
53.03931	2.6
54.40641	1.1
54.80976	1.3
55.01859	3.0
55.05489	2.8
57.03150	2.5
57.03419	67.9
59.04971	1.8
61.02905	18.3
69.03407	68.5
69.07031	1.3
71.01330	11.1
71.04969	3.0
73.02885	100.0
81.03379	6.8
81.07005	2.1
81.09793	1.6
84.72174	1.3
85.02876	88.7
87.04439	11.3
91.03949	1.7
91.05439	6.2
92.08754	1.6
93.06998	2.0
95.04887	2.3
97.02858	63.4
97.10161	1.3
99.04414	2.2
103.03913	1.9
109.02857	6.3
109.06473	1.2
115.03889	45.7
119.04897	3.2
123.04330	1.5
124.07558	2.5
127.03848	10.8
133.04942	13.4
136.07547	33.5
142.08679	2.6
145.04909	13.0
148.04739	2.0
154.08565	14.2
165.06960	2.7
221.05904	30.4
241.07079	2.2
249.05426	14.6
249.09247	1.6
259.08215	2.0
264.10791	1.4
279.64789	1.3
295.05890	16.8
295.10352	1.8
295.16223	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1018
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00286	2.1
53.03918	1.3
55.01860	1.5
56.96548	9.3
56.96778	1.0
57.03421	60.5
59.04975	2.7
61.02897	8.4
67.05471	5.5
69.03407	100.0
69.07037	6.2
71.01315	7.5
71.04958	2.7
73.02499	2.1
73.02891	50.8
75.04438	5.3
79.05455	1.9
81.03374	8.5
81.07017	8.1
83.04987	1.7
85.02876	81.9
87.04440	38.2
91.05453	2.1
93.07015	1.8
95.04855	1.5
95.08581	3.1
97.02854	63.8
97.06500	7.9
98.97523	2.4
99.04419	5.1
101.79314	1.5
103.03936	2.4
105.06983	4.9
107.08546	5.0
111.04341	1.4
115.03894	43.3
119.08552	1.7
121.10104	2.6
123.07993	1.8
127.03871	7.3
128.98579	2.2
133.04919	29.5
133.10066	1.3
141.00757	1.2
143.00133	1.6
145.04904	6.8
145.10023	1.4
150.59213	1.3
153.74760	1.7
163.03835	1.8
169.04800	1.6
177.00624	1.4
203.99933	1.3
243.70451	1.3
295.18567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01845	3.6
55.05491	1.3
57.03163	1.2
57.03422	28.7
59.04972	4.7
61.02914	10.3
61.43596	0.7
63.88720	0.7
69.03406	80.3
69.07040	7.4
69.07373	0.8
69.15017	0.8
71.01292	1.4
71.04961	4.4
73.02876	10.0
75.04441	3.0
81.03393	14.7
83.04964	1.8
85.02877	100.0
86.83950	0.9
87.04440	26.0
87.08075	4.2
91.03913	4.1
94.04018	2.0
95.04875	1.3
97.02856	44.8
98.87032	0.8
99.04409	7.2
101.02337	1.1
102.89975	0.8
103.03895	5.7
109.02833	7.3
115.03891	23.0
123.04384	2.1
123.06626	1.7
127.03877	13.7
133.04924	19.4
135.04395	0.8
145.04913	16.2
150.07706	75.8
154.29236	1.0
163.05971	1.4
169.04927	1.2
221.05911	6.3
234.68269	0.9
249.05269	1.9
277.09232	2.6
278.11075	0.9
295.05856	4.1
295.11319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0592
Annotation	Euplectin
Peak:m/z	Relative Intensity
55.01857	0.9
56.96540	0.8
57.03423	14.3
59.04967	1.0
61.02907	3.6
68.29243	0.9
69.03409	15.1
69.07034	1.2
71.01323	1.6
72.05811	0.8
73.02890	17.7
81.03384	0.8
85.02879	14.9
85.06454	0.7
85.76951	0.7
87.04446	1.6
91.05470	0.7
97.02857	12.7
105.07040	1.1
115.03899	9.5
127.03883	1.5
133.04938	4.2
145.04964	1.0
147.04422	0.9
163.03836	0.9
165.06967	6.9
193.06425	3.6
199.10255	0.8
201.95064	0.8
203.04794	0.9
221.05908	100.0
249.05379	36.2
250.06139	3.2
267.06387	5.3
277.04916	3.6
281.04211	1.2
285.07251	5.5
295.05936	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	294.2056
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05482	0.2
57.07046	0.6
58.02925	0.1
63.10123	0.1
65.03905	0.1
67.05467	0.6
69.27882	0.1
71.08586	0.6
79.05447	0.6
81.07038	1.7
81.37231	0.1
82.91993	0.1
89.26611	0.1
91.05428	0.6
92.09348	0.4
94.04147	2.8
107.04900	0.6
109.06462	0.2
122.03605	9.8
123.11678	1.0
137.05934	100.0
138.06248	0.2
158.15324	1.1
170.15381	1.1
173.11806	0.1
182.85043	0.1
189.04236	0.2
246.04149	0.1
306.25125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61805	0.2
56.96558	0.3
57.07042	1.1
59.53648	0.2
60.82965	0.2
61.90340	0.2
66.83831	0.2
70.79793	0.2
71.08583	0.9
73.95466	0.2
77.77712	0.2
79.05441	0.5
81.07038	0.9
91.05453	1.0
94.04153	2.7
107.04913	0.4
122.03601	9.0
129.03519	0.2
137.05933	100.0
138.57036	0.2
141.12712	1.2
142.82614	0.2
156.86830	0.2
158.15314	1.2
241.84525	0.2
245.44237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03176	0.5
55.01854	3.4
55.05488	2.3
57.55173	0.7
59.55745	0.5
67.05479	3.9
69.03385	0.8
71.04967	1.0
79.05459	4.9
81.07024	48.1
83.04955	5.7
85.02885	5.7
85.06510	4.1
91.05445	3.7
93.06988	4.7
97.02875	1.2
99.04399	1.0
109.06488	76.7
111.04411	36.5
119.04901	3.6
127.07517	31.3
129.05406	0.7
137.05937	100.0
155.06979	28.2
161.80978	0.6
167.74840	0.6
173.08035	88.4
191.09038	2.3
248.09050	0.7
263.63190	0.7
295.74622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96370	0.2
53.03934	0.4
55.01852	4.7
55.05494	1.2
56.96550	3.1
57.03417	1.9
61.02895	2.1
61.68916	0.3
66.94476	0.2
67.05469	2.0
68.04999	0.4
69.03401	8.1
69.06678	0.6
69.07043	18.1
70.06558	0.4
71.04958	1.6
72.04460	0.4
72.08128	1.1
73.02882	1.9
73.06519	0.6
75.68288	0.2
79.05456	6.8
80.13284	0.3
81.03383	2.0
81.07020	1.8
82.06604	0.3
83.04931	0.6
84.08118	0.6
85.02873	13.2
85.06504	0.4
86.06030	0.5
86.09676	1.5
87.04453	0.7
91.03928	0.4
91.05413	0.4
93.06988	0.5
95.04944	0.5
95.08566	0.6
96.04486	0.3
97.02873	4.9
97.06493	100.0
98.09660	0.4
98.46521	0.3
98.97552	3.7
99.04400	0.7
99.08098	0.4
103.03977	0.3
105.03876	0.4
105.06985	0.4
109.02843	0.7
114.05525	0.5
114.09121	0.7
115.03908	2.2
115.07529	48.6
116.98560	1.9
119.01777	0.4
120.08096	0.6
121.06438	0.4
126.04390	0.6
127.03880	2.4
127.70030	0.4
128.02206	0.3
128.07010	0.4
128.98610	0.6
130.04980	0.5
132.06505	0.6
132.10165	1.8
133.08577	0.5
134.99588	0.6
135.04382	0.3
145.04941	1.2
146.99564	0.6
147.03114	1.3
155.04611	1.9
156.03531	0.6
158.99591	0.7
161.04791	1.7
163.02641	0.4
163.03824	1.1
164.05180	0.6
165.04308	0.5
168.05382	1.8
173.04857	0.4
177.00668	1.9
177.05876	3.1
179.05931	0.4
184.08162	0.3
191.05894	1.5
207.05403	0.3
213.08888	0.3
219.01694	0.5
232.11745	1.4
237.02769	0.7
249.08084	0.5
258.20633	0.4
276.21545	1.4
277.12717	0.5
294.11465	2.1
294.22565	2.4
294.61569	0.5
309.08661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03928	6.3
54.81440	1.2
55.01851	10.7
55.05254	1.9
55.05498	44.5
56.96537	2.7
57.03410	3.1
57.07056	2.2
58.27973	1.7
60.16745	1.2
65.03205	1.2
65.03905	8.9
67.05485	81.7
69.03391	2.8
69.07043	30.2
71.04972	24.8
79.05461	75.4
81.03378	3.7
81.07028	100.0
83.04952	18.2
83.08583	15.8
84.52706	1.3
85.06504	6.8
89.60937	1.3
91.00585	1.4
91.04903	3.1
91.05447	71.4
91.06023	2.5
93.07010	50.9
95.04929	24.3
95.08572	49.3
97.06484	18.3
97.10132	7.5
105.06997	52.1
107.08566	30.9
109.06475	17.2
109.10131	10.3
111.08051	11.2
117.06975	10.9
119.08539	35.9
121.10104	20.6
123.08023	27.2
123.11661	11.1
131.08511	14.5
133.10094	24.1
134.12027	1.5
134.99608	1.7
135.11647	7.4
137.09570	7.0
143.08498	3.1
145.10103	9.0
147.11629	18.5
149.09534	2.2
151.11018	2.4
159.11624	6.0
161.13260	8.2
165.12738	1.6
170.25641	1.6
171.11682	2.9
173.13293	1.7
174.63850	1.6
197.13229	1.9
211.14607	1.7
249.18501	2.7
257.18863	2.2
267.33023	1.6
275.19980	22.3
293.21011	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2102
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03920	7.1
55.01845	3.6
55.05495	31.1
56.96555	2.9
57.03415	33.8
59.04982	4.5
60.07875	2.4
67.05479	48.2
69.03415	20.5
69.07030	26.8
71.04947	19.8
73.58079	2.4
75.04433	4.8
79.05457	57.7
81.03394	4.2
81.07022	67.6
83.04962	38.5
83.08570	11.5
85.06506	7.3
91.05438	40.7
93.07008	87.4
95.04926	15.5
95.08566	71.8
97.06499	41.1
98.97532	16.6
105.06986	85.7
107.04905	4.3
107.08557	77.6
109.06492	23.0
109.10114	64.2
111.08055	24.7
116.98582	10.9
117.06942	5.7
119.08540	84.4
121.06441	36.8
121.10091	61.9
122.07233	12.0
123.07991	17.6
123.11610	5.8
125.09548	11.7
125.21075	2.8
127.07485	5.8
131.08495	25.0
133.06450	6.5
133.10081	80.0
135.08046	21.1
135.11617	21.5
137.09576	100.0
139.11212	4.1
142.07825	3.3
143.08493	6.6
144.09296	5.0
145.06407	4.1
145.10098	34.2
146.07225	3.7
147.08035	6.9
147.11644	26.9
149.09593	25.5
149.13210	5.2
151.11133	19.5
155.10651	20.7
156.09314	5.2
157.10063	11.4
159.07983	4.3
159.11603	23.8
161.09579	17.5
161.13243	4.5
163.11087	4.4
173.13159	28.0
175.11139	3.5
175.14769	12.8
177.00659	6.0
183.11696	4.7
184.12321	3.4
187.14810	3.8
191.14220	3.2
199.14771	6.4
201.12657	11.5
203.14281	5.2
205.15852	5.7
215.17851	4.5
217.15714	4.3
219.13716	3.1
233.18886	3.3
257.18939	12.3
275.19949	38.2
293.21024	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2102
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.47769	3.3
53.03929	5.7
55.01853	4.5
55.05499	31.1
56.57173	3.7
57.03416	30.8
57.07041	5.0
61.59012	3.8
63.64131	3.5
67.05470	45.8
69.03395	22.5
69.07037	22.4
71.04960	15.6
73.68980	4.2
75.04437	8.5
79.05457	45.9
80.67843	3.6
81.03386	6.8
81.07015	62.0
83.04948	45.2
83.08577	9.2
85.06490	6.7
90.62358	3.9
91.05438	34.5
92.08597	7.4
93.06998	100.0
95.04912	17.1
95.08562	72.9
97.06490	22.0
105.06989	80.8
107.04935	8.9
107.08557	54.0
109.06463	26.9
109.10109	69.8
111.08061	26.4
119.08520	86.2
121.06453	28.3
121.10110	51.8
122.07275	18.4
123.07992	8.0
123.11654	5.8
125.09608	6.2
127.07498	19.2
131.08511	22.9
133.10081	93.9
135.08005	6.2
135.11649	16.8
137.09549	82.7
145.10089	29.7
147.08009	8.6
147.11661	19.9
149.09566	30.1
151.11134	35.4
155.10608	28.6
157.10063	8.1
158.10866	5.5
159.11621	8.8
161.09557	16.6
161.13228	9.9
163.11086	6.1
165.12672	5.4
173.13184	34.4
175.14737	4.5
185.13242	6.3
191.14250	6.3
201.12727	5.7
203.14247	7.7
234.31207	4.4
257.18906	7.4
275.19937	32.1
293.20975	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	293.2104
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03943	4.1
55.05499	53.0
56.96560	5.9
57.07081	7.1
63.78051	4.4
64.64546	4.4
65.54234	3.9
67.05486	58.6
69.03391	22.5
69.07040	22.3
71.04958	24.2
71.08600	4.8
77.34256	4.9
79.05473	54.1
81.07024	96.0
83.08562	5.3
85.06527	7.7
91.05432	69.2
92.09351	8.8
93.07011	100.0
95.04922	8.8
95.08564	70.4
97.06506	8.7
105.06989	83.6
107.04945	5.7
107.08566	98.6
107.43587	4.7
109.06493	24.6
109.10117	33.0
114.36003	5.8
116.98610	7.3
117.06963	11.1
119.08540	92.7
121.06447	37.6
121.10099	71.7
123.08031	76.4
123.11710	6.7
125.09590	5.9
131.08534	39.7
133.10097	58.0
135.08012	75.9
135.11656	24.3
137.09584	44.6
142.07756	6.4
143.08498	10.5
145.06447	7.6
145.10054	43.7
147.08003	12.2
147.11642	22.5
149.09590	31.0
156.09299	8.0
157.10034	7.5
159.07927	7.5
159.11636	31.8
161.09436	8.2
161.13208	7.5
163.11133	10.7
165.09053	43.8
171.11650	9.6
173.13164	26.8
175.11197	8.9
175.14735	8.9
199.14696	7.3
215.17751	6.5
232.41843	5.2
257.18896	11.7
263.19885	5.5
275.19910	36.3
293.20905	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	293.2103
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.54958	2.1
53.03933	3.7
55.01855	11.4
55.05497	53.2
57.03409	5.0
57.07045	5.3
63.13384	2.4
67.05486	61.7
69.03405	13.0
69.07047	35.4
70.73484	1.9
71.04967	12.8
78.64822	1.9
79.05460	63.1
81.03384	12.4
81.07027	100.0
83.04955	15.6
83.08593	4.1
85.02837	2.7
85.06508	10.0
91.05446	59.8
93.07017	84.8
95.04916	26.4
95.08578	60.3
97.06466	14.8
97.10126	3.9
98.97548	3.3
103.05434	9.0
105.07006	68.1
107.04913	13.8
107.08555	57.7
109.06493	21.5
109.10130	32.3
111.08051	11.5
116.98599	3.0
117.06979	14.7
119.08548	63.8
121.06464	25.4
121.10096	46.3
123.08060	19.4
123.11642	9.2
125.09594	10.8
127.02635	2.7
128.06160	3.5
129.06953	10.8
131.04898	11.2
131.08502	37.5
133.10074	36.5
135.08034	24.9
135.11673	13.2
137.09570	28.0
137.13251	2.8
143.08513	9.0
145.06471	5.5
145.10107	34.5
147.08076	3.1
147.11633	18.5
149.09537	21.2
149.13255	3.9
151.11060	5.2
157.10095	4.8
159.08026	9.7
159.11632	20.9
161.09579	3.1
161.13136	3.6
163.11111	10.0
165.09021	4.6
169.10046	3.6
171.11610	2.7
173.09535	3.6
173.13234	25.9
175.11203	3.3
175.14743	4.9
177.12628	2.6
189.16487	2.9
191.14241	3.6
199.14796	3.3
201.12646	3.1
215.17833	3.7
233.18971	3.2
239.17766	3.2
257.18872	27.6
275.19977	77.0
293.21222	19.3
293.23944	2.8
302.30713	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2103
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03921	2.6
55.01844	6.3
55.05498	24.4
56.96543	2.7
57.03414	19.2
57.07046	9.8
58.83822	1.3
59.04971	3.7
61.41979	1.4
65.03942	1.4
67.05482	44.2
69.03397	16.8
69.07043	24.1
71.04973	17.0
75.04440	3.5
79.05457	48.0
81.03345	1.9
81.07025	65.9
83.04945	19.8
83.08583	10.6
84.95952	1.8
85.02868	12.9
85.06501	13.7
89.41605	1.5
91.05437	44.2
93.07008	81.6
95.04924	10.2
95.07967	2.2
95.08571	65.4
97.02810	1.7
97.06490	100.0
97.10136	1.6
98.97544	24.3
99.04437	1.8
99.08031	6.1
100.11291	1.8
101.05994	13.5
105.06990	74.7
105.07686	3.4
107.04917	7.2
107.08557	90.3
109.06477	23.5
109.10116	52.5
110.10464	1.4
111.08057	15.2
113.09608	6.8
115.05424	2.3
116.98564	15.2
117.06989	8.9
119.08536	75.7
121.06457	23.8
121.10101	75.8
122.07246	8.1
123.08026	15.2
123.11662	10.8
125.09587	9.1
128.06195	2.2
129.06960	3.0
129.09097	1.9
130.07768	1.7
131.00150	2.9
131.04877	2.0
131.08525	28.8
133.06439	2.9
133.10086	63.1
134.99600	1.9
135.08018	22.5
135.11649	20.1
137.09578	62.7
139.11130	6.3
142.07697	6.1
143.08528	14.2
144.09305	2.7
145.06436	3.0
145.10074	29.2
146.07188	1.8
147.08012	9.8
147.11662	23.9
149.09564	25.5
149.13222	6.9
151.11139	10.6
155.10547	11.1
156.09291	2.7
157.10091	13.0
158.10840	3.7
158.99579	6.1
159.07982	2.9
159.11632	27.9
161.09558	14.8
161.13205	9.8
163.11148	7.4
169.10094	3.4
171.11656	7.3
173.09523	2.1
173.13177	24.1
175.11163	3.1
175.14752	16.0
177.00624	9.1
177.12723	3.5
183.11525	6.8
184.12405	2.1
185.13139	3.0
187.11121	2.2
187.14729	6.7
189.16173	2.2
191.02373	1.8
191.14293	2.8
199.14714	15.8
201.12694	6.4
203.14282	3.1
205.15819	2.8
215.14360	1.9
215.17818	2.6
217.15858	10.8
229.10719	2.3
233.18936	3.1
235.16846	8.2
239.17928	2.4
257.18948	17.5
263.10242	2.3
263.19778	2.5
275.20016	36.1
293.21091	23.4
293.24274	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1223
Annotation	Itoside L
Peak:m/z	Relative Intensity
50.64715	0.5
53.03939	0.6
55.01860	3.0
55.05504	0.6
56.96544	0.6
57.03419	6.7
57.07055	12.2
58.39021	0.5
59.04976	2.9
59.92028	0.5
61.02896	5.8
65.03920	1.3
67.05479	27.6
69.03398	14.2
69.07035	1.3
71.04957	12.0
73.02884	1.5
79.05470	0.5
81.03374	5.4
85.02870	52.8
85.06506	15.2
87.04438	0.9
91.03910	1.4
91.05444	1.3
95.04925	35.0
95.55347	0.7
97.02847	9.3
98.97526	1.3
99.04403	2.5
109.02843	3.9
111.04411	0.7
113.05961	100.0
116.98611	2.4
119.04877	1.1
127.03853	7.7
131.06987	48.0
134.99596	0.7
143.00117	0.6
145.04929	5.1
147.04375	4.7
161.07005	2.4
163.03853	4.7
177.05411	2.8
219.01625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1225
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.00299	0.8
53.03921	0.5
55.01861	1.2
55.05500	1.3
56.96543	3.6
57.03409	4.2
57.07069	2.4
59.04992	0.8
59.82495	0.6
61.02900	2.5
63.05125	0.6
67.05486	10.1
69.03397	11.4
69.07043	5.2
71.01324	6.0
71.04967	100.0
73.02889	1.1
77.81605	0.6
79.05472	0.9
81.03389	3.3
81.07003	0.7
83.04954	3.0
85.02884	22.0
85.06515	62.2
87.04441	1.2
89.02361	11.1
91.03917	0.9
91.05459	1.2
95.04926	8.7
96.74888	0.6
97.02878	5.2
98.97543	4.1
99.04449	0.9
101.05969	0.8
109.02865	1.0
110.97487	0.7
111.04404	3.2
113.05972	82.2
116.98586	2.8
119.04897	3.2
127.03855	2.9
129.05455	1.2
131.06999	67.3
134.99620	2.5
135.04350	0.7
145.04933	1.1
145.28729	0.6
146.99641	0.8
147.04366	6.9
153.00710	0.6
155.04753	1.0
158.99615	1.2
161.01172	1.0
161.07083	1.0
163.03880	1.2
177.00673	1.1
219.01653	1.4
237.02724	2.8
258.37476	0.8
266.37051	0.7
279.07455	0.8
293.11560	0.8
293.14893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.0
57.03405	3.1
57.07066	5.7
59.04989	1.1
61.02896	1.7
62.47693	0.6
65.03917	1.0
67.05482	26.5
69.03394	5.6
69.07028	0.8
70.63445	0.6
71.04975	7.1
81.03388	3.2
85.02881	19.4
85.06519	11.9
87.04471	0.7
92.08721	1.5
95.04927	34.0
95.05537	1.3
97.02856	3.9
98.97540	1.2
99.04418	0.7
107.04882	1.1
109.02831	1.5
113.05971	100.0
116.43587	0.7
127.03908	2.6
131.06993	29.9
134.99739	0.9
145.04997	0.7
147.04453	1.0
163.03743	0.9
177.05507	0.9
220.13522	1.0
227.25307	0.9
295.64310	0.8
304.43292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2103
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01855	12.4
55.05500	68.3
57.07039	10.2
59.04980	5.3
64.79027	5.0
67.05485	46.1
69.07036	9.3
71.12051	4.9
79.05465	100.0
81.07028	49.0
83.04963	38.2
83.08578	7.3
91.05453	34.6
93.07001	65.4
95.04901	10.4
95.08567	11.2
97.10114	8.2
105.06998	26.9
105.90418	5.6
107.04949	42.2
107.08570	46.3
109.10085	12.2
111.08071	6.1
119.08564	29.0
121.10107	13.1
125.09605	11.1
126.15413	5.5
131.08527	5.7
133.10045	8.2
145.10080	9.6
147.11674	6.0
149.09618	48.7
151.98180	5.8
157.59007	5.2
275.20016	43.8
284.80603	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	293.2104
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.24150	1.2
51.05739	1.1
53.00276	1.1
53.03934	38.3
53.04185	1.9
55.01859	16.8
55.05494	26.4
57.07054	3.6
65.03899	1.5
67.05482	66.6
69.07047	39.8
71.04948	1.8
79.05462	47.2
81.03387	70.5
81.07026	85.1
83.04962	12.3
83.08607	6.2
91.05448	65.4
93.07015	37.6
95.01285	13.0
95.04946	23.5
95.08569	50.8
97.06489	12.0
97.10119	2.7
99.08032	1.7
103.05462	2.0
105.06999	100.0
107.04931	23.9
107.08552	17.2
109.06503	7.7
109.10144	6.6
111.08050	1.9
117.06967	18.3
119.08543	40.6
121.06436	6.7
121.10118	8.2
123.04364	2.2
123.08033	17.0
125.09518	1.6
128.06187	1.6
129.07010	2.4
130.07730	1.4
131.08524	23.1
132.19629	1.4
133.10075	41.0
135.08038	2.0
135.11635	15.0
137.09547	2.6
139.28885	1.4
141.06976	3.2
143.08543	6.6
145.06447	8.7
145.10088	14.2
147.11673	13.7
149.09564	2.4
149.13203	3.0
155.08511	1.7
157.10136	2.5
159.11641	8.9
161.13164	2.1
163.11159	2.9
169.10075	3.1
177.12706	6.6
179.14262	8.7
181.04861	1.7
187.11113	6.5
191.10541	1.8
193.74214	1.8
195.13797	2.0
237.11183	6.5
257.18994	3.2
275.19958	44.2
293.21063	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	293.2103
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.00797	0.9
53.00275	1.2
53.03933	1.6
54.93013	0.8
55.01868	8.0
55.05497	23.4
57.03413	2.3
57.07042	4.7
60.22733	0.9
65.03905	1.3
67.05482	50.4
69.03385	1.8
69.06679	1.8
69.07043	44.0
71.04952	2.3
76.55576	1.0
79.05455	31.4
81.03378	1.7
81.07025	56.1
83.04937	13.7
83.08587	9.2
85.06535	1.8
91.05443	33.9
92.09341	2.4
93.07007	45.6
95.04927	17.2
95.08569	38.8
97.06480	6.7
105.06997	39.4
107.04930	9.7
107.08559	27.5
109.06500	17.2
109.10111	13.7
117.06985	11.6
119.08524	20.7
121.06455	17.9
121.10120	12.8
123.08039	7.3
123.11623	2.3
129.06963	1.9
131.08521	20.9
133.06474	1.9
133.10088	25.8
135.07988	6.7
135.11644	8.6
137.09528	2.1
143.08536	1.7
145.06413	2.3
145.10077	17.0
147.07957	4.8
147.11647	16.4
149.09560	7.9
149.13200	2.0
151.11124	8.5
155.08444	1.7
157.10060	4.3
159.07970	1.4
159.11633	8.6
161.09492	1.3
161.13208	2.3
163.11124	6.8
170.50645	1.0
171.11642	2.4
173.09607	1.2
173.13228	7.2
175.11118	1.0
177.12651	1.9
182.68697	1.1
183.11595	2.4
187.11140	1.3
191.14201	1.7
201.12675	1.5
207.13832	1.2
215.14285	1.6
219.11523	1.2
219.13683	4.6
229.19531	1.4
239.17815	4.0
247.20444	1.3
251.12782	1.7
257.18903	14.9
275.19943	100.0
293.21014	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	293.1158
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
55.01852	6.4
55.05487	2.8
55.42647	2.3
57.03422	2.2
60.04495	2.7
61.01134	18.0
62.66655	2.2
67.05463	2.7
71.04956	2.2
71.06075	2.5
72.04491	28.9
73.02859	3.7
78.03766	53.2
81.03387	6.3
81.07033	3.9
84.08094	4.5
85.02886	41.8
86.06035	6.4
86.09691	2.7
91.05435	3.2
98.02374	3.7
99.04419	28.0
102.03735	67.1
103.02142	6.2
103.03905	57.0
109.02822	14.0
110.06013	5.1
114.05473	4.5
120.04715	10.8
126.05470	55.4
127.03876	22.5
131.06355	29.7
132.04753	27.8
147.05875	3.0
149.07397	92.3
152.06979	6.1
154.08672	3.2
154.75305	2.9
160.13821	3.0
164.67967	2.5
173.80006	2.7
175.05334	3.7
180.06491	30.3
198.07567	3.8
216.08711	2.7
231.11472	3.8
290.00186	3.2
293.11548	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01841	2.8
55.05488	6.5
56.96546	64.9
57.03418	11.9
57.24812	1.5
61.02901	9.8
67.05470	3.6
68.89388	1.4
69.03406	23.5
70.98085	31.0
71.04967	34.1
73.02884	4.2
74.97569	7.6
81.03376	7.3
83.04922	6.9
84.04485	1.8
84.95996	10.1
85.02874	48.4
86.03214	2.2
87.04423	3.0
88.98618	2.0
88.99127	38.7
91.03967	1.4
95.04946	13.7
97.02860	21.6
97.06598	1.8
98.97546	100.0
99.04414	9.9
100.99094	2.0
101.00863	2.2
102.52487	2.0
107.00173	16.0
108.74037	1.7
109.02832	3.1
110.97506	12.7
112.99074	3.5
113.02316	2.1
113.05981	20.2
116.98583	55.2
119.01852	25.2
121.01583	7.1
121.97432	1.5
127.03861	11.5
128.98564	30.0
130.08621	2.6
131.00121	10.8
131.01852	3.4
131.06897	1.9
131.08875	2.1
133.01634	3.8
133.03404	3.2
134.99617	24.5
136.05997	1.8
137.02850	2.3
140.98573	3.9
143.00089	11.3
143.01845	3.1
145.01642	2.2
145.03442	3.7
145.04915	6.8
146.99597	65.0
149.01128	8.6
153.00562	2.5
157.03384	2.7
158.99593	16.7
161.01183	10.9
161.02869	7.1
162.99026	3.0
163.02654	6.7
163.04341	3.3
165.00658	63.2
170.99588	3.9
173.01155	8.0
173.02809	2.3
174.99092	6.9
175.02692	7.1
175.04390	1.7
177.00665	15.3
179.02217	2.6
183.01703	9.6
185.02946	1.7
187.04492	3.0
189.00702	18.3
189.02315	2.9
190.98561	2.3
191.02185	5.9
201.00674	10.5
203.03899	2.2
207.01665	23.3
219.01703	10.7
221.05049	3.0
233.01299	3.3
237.02695	26.9
245.64911	1.6
251.02321	10.7
266.14731	1.7
269.05362	8.9
274.97336	8.5
279.03659	2.1
292.98398	8.8
293.05347	11.0
311.06409	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	293.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18724	0.8
55.01855	1.7
55.13591	0.9
56.32959	0.8
56.96547	63.5
57.03425	7.7
61.02898	6.3
62.71139	1.0
66.53184	1.0
67.05466	4.6
69.03407	17.7
70.03745	1.4
70.06554	1.4
70.98096	30.2
71.04964	40.8
71.95256	1.0
72.04478	1.1
73.02871	2.3
74.97573	6.2
81.03375	5.0
83.04946	1.0
84.96006	11.5
85.02875	34.8
86.03168	1.0
88.99120	37.3
88.99626	1.9
95.04927	16.9
97.02860	15.9
98.03194	1.3
98.97543	100.0
99.04410	3.4
101.00817	1.7
101.02395	1.1
103.02425	1.0
107.00153	11.6
109.02831	1.2
110.97532	27.7
111.01974	0.9
112.99084	5.9
113.05969	29.2
116.98585	62.7
119.01872	7.4
121.01614	2.2
127.00620	1.6
127.03866	6.7
128.98563	47.8
130.08582	7.1
131.00134	12.1
131.01855	1.9
131.06976	3.8
131.08948	1.6
133.01610	1.1
133.03340	1.2
134.99608	20.7
137.02901	2.1
140.98552	13.6
143.00110	9.1
143.01897	1.0
145.01639	2.2
145.03386	1.6
145.04901	2.1
146.99605	76.2
147.04982	1.9
149.01189	9.0
152.98579	3.9
153.00684	4.4
154.03818	1.1
155.00092	1.0
155.01895	1.2
157.01776	1.0
157.03316	1.7
158.99614	21.4
161.01166	12.3
161.02768	3.7
163.02658	6.5
163.04295	1.5
165.00652	66.9
170.99594	14.3
171.00999	1.5
173.01138	5.9
173.02701	0.9
174.99091	5.5
175.02798	3.4
175.04396	1.2
177.00644	14.2
179.02266	1.3
182.99564	2.1
183.01764	11.5
185.02866	1.2
187.02756	1.1
189.00648	31.2
189.05939	1.3
191.02298	7.6
193.00171	2.2
201.00633	26.4
201.06010	1.5
207.01698	31.1
219.01707	20.8
221.04971	2.3
233.01270	2.2
237.02727	35.0
251.02100	2.2
251.04497	12.2
255.03830	4.2
259.06409	1.6
261.02817	1.3
269.05319	12.7
274.97507	8.9
279.03790	5.9
291.09128	1.4
292.98392	7.3
293.05438	33.1
293.10831	1.6
311.06396	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	291.2675
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03940	1.2
53.49411	0.8
53.89931	0.8
54.31602	0.8
54.80901	1.1
55.01855	1.4
55.05254	1.1
55.05494	31.2
57.07061	10.6
65.81338	1.0
67.05479	44.3
69.06687	2.3
69.07040	48.1
71.04955	4.3
71.08601	1.8
79.05454	17.4
81.07022	76.2
83.08586	24.6
85.06496	4.3
85.10167	1.2
89.91241	1.1
91.05424	9.6
93.06424	2.3
93.07000	47.2
95.04908	4.9
95.08566	100.0
97.06491	4.8
97.10110	5.3
105.06995	15.3
107.08558	32.4
109.06459	1.8
109.10115	32.6
111.08057	9.3
111.11688	1.3
116.46510	1.0
119.08533	10.6
121.10096	21.4
123.11658	24.1
125.09575	1.9
133.10071	6.9
135.11653	9.7
137.13219	4.1
140.27336	1.0
147.11618	5.6
148.90810	1.0
149.13202	15.8
151.25549	1.2
161.13203	6.1
163.14766	5.8
167.14366	1.1
177.16418	2.2
188.41721	1.2
199.83133	1.0
203.17838	1.5
205.57527	1.0
217.19447	1.9
259.04837	1.1
273.25641	7.6
291.26703	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	291.2675
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.01836	2.2
55.05251	1.3
55.05496	32.5
57.03408	2.0
57.07039	9.2
59.04971	1.3
67.05482	43.5
69.03389	1.4
69.06680	1.9
69.07043	55.4
71.04964	5.4
71.08600	1.7
79.05457	20.5
81.07027	98.9
83.04903	4.6
83.08591	25.9
83.89734	1.3
85.06525	2.4
91.05431	9.3
91.64816	1.4
93.07007	48.1
95.04897	3.2
95.08569	100.0
97.06507	5.4
97.10120	10.7
99.08024	2.4
105.06994	19.8
107.08561	45.9
109.06508	1.9
109.10125	48.2
111.08091	10.6
111.11712	1.8
119.08540	15.0
121.10105	30.4
123.04410	1.6
123.11668	27.1
123.57603	1.5
125.09586	1.8
133.10089	10.5
135.11629	14.8
137.09570	3.3
137.13193	9.7
139.03845	5.5
139.11163	1.9
147.11624	7.9
149.13219	17.9
151.11200	1.5
161.13214	5.6
163.14781	10.6
165.31558	1.4
175.14828	1.9
177.16280	5.8
189.16286	1.8
191.17836	2.1
203.17921	1.6
204.02678	1.3
217.19489	2.6
273.25711	10.0
291.26718	28.0
298.15002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2311
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03926	3.2
55.01854	1.4
55.05495	21.8
57.07048	3.1
58.09409	1.4
67.05480	37.9
69.07044	18.2
69.53925	1.4
69.81402	1.6
72.31340	1.5
74.97345	1.2
79.05006	2.9
79.05462	78.4
81.07027	37.5
83.04954	2.1
83.08572	3.3
85.06509	2.0
90.41840	1.5
91.05447	31.6
93.07011	100.0
95.04945	11.7
95.08576	21.1
97.06479	1.8
105.06988	16.2
107.08562	41.8
109.06487	2.2
109.10110	10.0
117.07028	2.3
119.08538	12.5
119.16737	1.6
121.10110	30.1
124.25043	1.5
131.08505	3.8
133.10074	11.0
135.11635	30.2
143.08502	2.4
145.10078	1.8
147.11670	3.4
149.13257	13.4
163.14769	2.4
175.14836	1.9
236.00865	1.5
257.29233	1.8
259.20557	2.1
291.23087	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	291.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.6
55.05494	10.1
56.30505	1.8
67.05479	7.7
68.21185	1.4
69.03400	3.3
69.07037	13.1
71.04964	36.4
71.24004	1.6
72.08115	3.2
73.06543	4.3
73.08456	1.8
79.05440	13.8
79.79522	1.9
81.07024	25.1
83.04951	4.2
83.08597	3.6
85.06513	10.1
85.41391	1.7
86.19172	1.6
89.79465	1.5
91.05444	14.3
93.07011	50.6
95.04933	11.9
95.08569	17.2
97.06506	9.2
97.10139	6.6
98.97553	2.7
99.08060	1.7
105.06998	53.1
107.08563	34.3
109.06494	1.9
109.10133	26.1
116.98546	2.2
117.06999	2.7
119.08543	22.0
121.10098	100.0
123.08038	2.3
123.11657	6.8
125.09572	32.4
127.11143	3.2
131.08516	3.9
133.10086	99.7
135.11674	7.2
139.03842	7.0
143.10638	68.3
145.10101	9.7
147.11624	16.1
149.13188	3.5
151.07623	2.4
151.11124	13.2
156.52057	1.6
159.11623	13.7
161.13211	4.2
171.11633	1.7
189.16333	32.0
195.10042	1.8
201.16353	8.2
207.17363	10.2
219.17384	18.8
237.18437	9.3
254.25005	2.0
255.19553	9.2
273.20520	3.3
273.26022	2.4
291.19601	2.9
291.27066	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	291.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.6
55.05494	10.1
56.30505	1.8
67.05479	7.7
68.21185	1.4
69.03400	3.3
69.07037	13.1
71.04964	36.4
71.24004	1.6
72.08115	3.2
73.06543	4.3
73.08456	1.8
79.05440	13.8
79.79522	1.9
81.07024	25.1
83.04951	4.2
83.08597	3.6
85.06513	10.1
85.41391	1.7
86.19172	1.6
89.79465	1.5
91.05444	14.3
93.07011	50.6
95.04933	11.9
95.08569	17.2
97.06506	9.2
97.10139	6.6
98.97553	2.7
99.08060	1.7
105.06998	53.1
107.08563	34.3
109.06494	1.9
109.10133	26.1
116.98546	2.2
117.06999	2.7
119.08543	22.0
121.10098	100.0
123.08038	2.3
123.11657	6.8
125.09572	32.4
127.11143	3.2
131.08516	3.9
133.10086	99.7
135.11674	7.2
139.03842	7.0
143.10638	68.3
145.10101	9.7
147.11624	16.1
149.13188	3.5
151.07623	2.4
151.11124	13.2
156.52057	1.6
159.11623	13.7
161.13211	4.2
171.11633	1.7
189.16333	32.0
195.10042	1.8
201.16353	8.2
207.17363	10.2
219.17384	18.8
237.18437	9.3
254.25005	2.0
255.19553	9.2
273.20520	3.3
273.26022	2.4
291.19601	2.9
291.27066	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	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03920	2.3
54.80953	1.2
55.01854	3.0
55.05497	18.0
56.96536	1.1
57.03428	1.2
57.07049	5.7
67.05484	20.6
69.03405	6.6
69.07044	32.3
71.04963	2.4
79.05460	32.2
81.03401	1.4
81.07027	42.5
83.04983	9.1
83.08586	9.9
85.02854	1.2
85.06493	1.2
91.05442	22.7
93.07012	59.4
95.04942	8.1
95.08578	31.2
97.06493	6.4
97.10130	6.2
98.97553	7.9
102.55495	1.2
105.06995	36.0
107.04926	5.6
107.08553	30.6
109.06485	29.3
109.10122	15.9
111.08043	3.1
111.11680	5.2
116.98563	2.6
117.06963	4.8
119.04868	1.2
119.08544	24.2
121.06504	3.0
121.10101	79.3
123.04402	11.5
123.08017	6.8
123.11713	5.0
125.09575	5.5
125.93575	1.2
129.06908	2.1
130.04099	1.1
130.07721	1.4
131.08539	7.8
133.06508	2.5
133.10100	16.0
135.08022	8.2
135.11647	7.4
137.09573	12.2
137.13240	1.8
139.03830	15.9
139.11128	2.1
142.07745	1.7
143.08505	5.1
145.10074	7.1
147.04414	3.0
147.08006	1.8
147.11629	8.5
149.09563	17.7
149.13255	5.2
155.08521	2.1
156.09306	5.3
157.10080	6.0
158.19206	1.3
158.52534	1.4
159.07980	1.7
159.11581	1.6
161.09581	4.7
161.13152	1.7
167.10617	100.0
169.09999	2.7
171.11653	6.3
173.09578	1.4
173.13196	5.7
175.11153	2.6
175.14734	2.1
191.10651	1.5
191.14265	5.7
197.13155	6.9
199.11150	1.5
199.14798	1.6
203.17883	1.3
213.16426	1.6
215.14275	2.2
225.51198	1.3
233.15224	9.8
255.17334	2.3
273.18475	10.5
273.25775	1.7
291.19418	6.3
291.26691	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.05500	10.6
55.15660	1.1
57.07055	1.8
57.09185	1.1
59.04985	1.7
66.18414	1.1
67.05480	5.6
69.03413	2.7
69.07033	1.4
71.04966	5.5
79.05467	16.9
81.07040	15.2
83.04934	2.7
83.08597	16.0
85.02859	1.6
85.06532	1.7
91.05441	7.3
92.09330	2.8
93.07014	19.1
95.04917	10.9
95.08573	22.4
97.06494	8.6
104.48196	1.5
105.07011	13.2
107.04923	34.0
107.08553	13.5
109.06484	8.7
109.10132	2.9
111.08046	41.7
113.09612	2.8
117.06998	2.3
119.08559	11.4
121.06424	3.3
121.10110	12.1
122.07272	2.0
123.08017	47.9
125.09608	2.2
131.08517	10.6
133.06548	1.6
133.10062	15.0
135.08029	5.7
135.11627	1.8
137.09525	1.8
138.15331	1.5
143.08551	2.7
145.10109	6.5
147.08015	1.9
147.11630	7.5
149.09518	11.1
151.07497	100.0
155.10619	1.6
157.10088	8.9
158.10852	1.8
159.07985	2.1
161.09526	2.3
163.11107	1.9
171.11710	1.9
173.13194	10.7
175.11147	6.7
177.09132	2.0
179.10565	2.3
189.12662	21.8
191.14236	28.5
192.11417	9.0
197.11682	5.9
197.13277	2.1
207.13727	58.5
215.14333	2.0
221.11066	1.4
232.39713	1.6
233.15300	56.1
249.18251	1.8
272.74887	1.3
273.18396	5.9
288.24570	1.3
291.19437	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1947
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03920	1.6
54.81096	1.6
55.01861	4.2
55.05492	19.5
56.38372	1.6
56.96562	1.8
57.03415	4.3
57.07068	1.8
59.04974	1.8
67.01849	1.6
67.05486	19.0
69.03409	26.0
69.07045	25.3
71.04964	61.7
76.27077	1.7
77.19299	1.4
79.05467	33.3
79.66046	1.8
81.03372	7.3
81.07025	22.3
83.04952	21.7
83.08601	3.9
85.02872	21.0
85.06518	2.5
91.05445	22.4
93.06999	24.9
95.04936	37.6
95.08551	22.8
97.06497	14.3
98.97525	3.4
99.04417	100.0
105.06998	27.8
107.04919	11.0
107.08554	40.0
109.02879	1.8
109.06477	35.0
109.10118	20.5
111.08053	10.5
112.05898	1.7
116.98591	3.0
117.06952	7.8
119.08536	27.7
121.06487	11.5
121.10088	31.3
122.07245	2.6
123.04394	11.8
123.08024	14.2
123.11630	3.1
125.09571	12.4
129.07010	7.9
131.08546	14.5
133.10078	22.9
135.07994	19.8
135.11674	7.9
137.05864	2.0
137.09581	37.0
139.03870	21.0
139.11162	3.2
143.08522	11.0
145.10100	17.8
147.04382	3.4
147.08000	4.4
147.11667	9.9
149.09576	10.5
149.13133	3.1
153.09091	3.0
156.09341	3.3
157.10077	10.1
159.08005	24.0
159.11610	3.7
161.09607	3.3
163.03702	2.2
163.11124	33.8
171.11644	7.7
173.09543	8.8
173.13216	10.0
175.11200	6.8
177.09160	2.1
185.13182	2.6
187.11145	2.4
187.14694	2.8
189.12666	10.3
191.14268	9.0
197.13205	2.9
199.11061	4.2
213.16200	2.9
215.14319	11.7
217.02463	2.5
231.17448	2.3
233.15460	2.1
249.18367	2.4
255.17346	8.9
273.18436	22.9
291.19440	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1947
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.05496	20.4
56.96539	3.7
63.19718	2.0
65.03894	2.3
65.20999	2.2
66.70012	2.4
67.05489	29.5
68.71847	2.1
69.03400	13.3
69.07042	5.3
71.04955	2.1
71.61281	2.1
79.05466	29.5
81.07027	32.5
83.04958	55.1
83.08592	4.4
85.06534	2.8
91.05454	34.8
93.07012	57.1
95.04925	11.6
95.08579	22.5
98.97559	6.2
99.08060	3.1
105.07000	62.7
107.04931	10.7
107.08556	36.2
109.06470	22.1
109.10126	26.0
111.08044	15.9
115.05444	3.3
116.98566	3.1
117.06959	3.8
119.08533	61.7
121.06443	17.4
121.10103	24.5
122.07267	16.3
123.04408	3.9
123.08031	15.9
125.09603	3.2
127.07520	25.5
128.98575	3.5
129.07001	5.6
130.07695	4.9
131.08522	15.3
133.06450	17.9
133.10080	91.0
135.07997	21.3
137.09561	100.0
138.09955	2.8
139.03835	5.3
142.07736	3.4
143.08501	15.5
145.10072	13.7
147.08015	15.3
147.11652	5.5
148.08771	5.4
149.09596	11.5
151.07454	3.0
153.09035	13.5
156.09293	9.7
159.08084	4.8
159.11647	5.3
161.09593	24.5
161.13107	7.8
170.10893	3.5
171.11633	10.4
173.13231	6.2
175.11086	3.2
175.14807	5.9
185.13228	4.6
189.12706	5.4
199.11139	4.1
203.14203	5.0
213.16216	2.4
217.15823	11.8
255.17270	4.3
273.18427	14.3
291.19394	35.2
308.20798	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1946
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.52353	0.8
54.80756	0.9
55.01847	1.6
55.05489	11.2
56.96518	1.0
57.07059	7.9
57.90315	0.7
59.04970	3.9
67.05479	9.4
69.03400	4.3
69.07036	2.0
70.06538	2.0
71.04948	5.8
79.05443	11.8
80.02477	0.8
80.24564	1.0
81.07019	11.7
83.04937	1.9
83.08577	5.7
85.06506	4.9
88.07574	2.1
91.05443	12.6
93.07006	16.9
95.04920	10.1
95.08572	17.8
97.06482	5.5
98.97489	1.4
105.06995	20.5
107.04897	6.8
107.07888	1.0
107.08565	16.1
109.06489	15.7
109.10117	5.4
111.08044	29.2
117.06967	4.6
119.08532	20.2
121.06430	2.2
121.10074	11.7
122.07202	1.4
123.08022	49.5
123.11665	1.5
129.06960	3.7
130.07727	1.6
131.08517	12.8
133.06458	3.9
133.10103	10.2
135.08017	11.4
135.11615	2.1
137.09532	3.8
142.07713	3.8
143.08545	6.5
144.09277	1.4
145.10085	19.9
147.07994	1.7
147.11650	10.7
149.09546	5.2
151.07497	100.0
155.08508	0.9
155.10622	1.6
156.09282	5.9
157.10040	8.9
158.10878	1.6
159.07985	3.7
159.11598	8.5
160.08823	0.9
161.09537	5.5
161.13184	4.0
163.11121	2.3
169.10033	1.3
170.10858	1.5
171.11601	8.3
173.09570	2.2
173.13205	7.4
174.10373	1.3
175.11130	7.0
177.12639	1.7
179.10553	3.8
182.10828	1.6
185.13184	1.1
187.11090	3.6
187.14775	3.7
189.12672	29.5
191.10634	1.2
191.14264	6.7
192.11433	6.7
197.11615	6.9
197.13281	4.0
203.14255	1.2
207.13739	49.3
209.38199	1.0
210.80771	0.9
211.14928	1.7
215.14262	5.3
217.12148	1.2
228.23199	3.6
229.23509	1.8
231.17256	2.1
233.15295	15.1
255.17113	1.4
273.18390	5.5
290.26743	5.3
291.19418	25.6
291.27106	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	291.1067
Annotation	Osmundalin
Peak:m/z	Relative Intensity
53.03925	1.7
55.01848	1.9
55.05488	1.9
56.96537	2.8
57.03419	15.7
61.02893	4.9
69.03410	11.5
76.54971	1.4
79.14334	0.9
81.03383	2.6
83.04944	7.8
83.08603	2.6
85.02440	1.5
85.02883	26.2
87.04430	1.6
87.97713	1.0
88.71113	1.0
91.05477	1.3
93.07009	1.3
97.02834	5.9
98.97545	2.6
101.06004	14.4
109.02768	1.5
109.94713	1.1
111.04398	4.7
111.08067	2.4
127.03873	2.1
129.05440	100.0
129.08997	4.0
154.00891	1.3
163.03934	1.3
290.94586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0855
Annotation	Epicatechin
Peak:m/z	Relative Intensity
53.64951	0.6
55.01843	2.7
65.03902	0.6
66.78712	0.7
67.05479	2.8
68.99744	1.3
78.24761	0.6
85.02866	0.9
88.69047	0.8
91.05444	1.3
93.03377	1.7
95.04919	3.5
111.04396	5.1
115.05438	1.2
119.04894	9.0
123.04385	67.1
133.06448	1.5
137.02336	1.0
139.03853	100.0
143.04852	1.7
147.04364	23.3
151.03812	1.4
161.05937	10.5
165.05391	9.1
177.05426	0.8
179.06990	3.4
207.06462	6.5
291.08511	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0856
Annotation	Epicatechin
Peak:m/z	Relative Intensity
53.03915	0.5
53.08164	0.3
53.56922	0.3
54.41401	0.3
55.01637	0.3
55.01856	3.4
55.05490	0.9
56.96536	0.7
57.03411	1.9
57.80742	0.3
58.06575	0.9
61.02880	0.4
64.12361	0.3
65.03893	1.6
67.05477	4.0
68.67429	0.3
68.99753	1.7
69.03386	1.5
69.07021	0.6
71.04958	1.6
71.13876	0.3
79.05444	2.0
80.76777	0.4
81.03365	0.7
81.07019	1.5
83.04964	3.5
83.05374	0.4
84.08118	0.7
85.02851	1.6
91.05436	3.5
93.03359	0.8
93.06994	1.9
95.04944	4.0
95.08579	0.7
97.02845	0.7
97.06466	1.6
97.92324	0.4
98.97542	0.8
105.03357	0.8
105.06985	0.6
107.04930	1.8
107.08537	0.5
109.10159	0.4
111.04411	5.6
112.35004	0.4
115.05427	2.7
117.05451	0.4
118.00045	0.4
119.04910	8.3
121.02793	0.6
121.06506	0.4
123.04386	70.8
124.15852	0.4
127.03869	0.9
128.98581	0.7
129.05476	0.4
131.04865	0.7
131.08528	0.4
133.06433	1.4
135.04362	0.8
137.02287	1.7
137.05888	0.7
139.03856	100.0
143.04892	4.2
147.04364	28.7
149.06075	0.4
149.09457	0.4
151.03854	1.7
151.07535	0.6
151.11151	0.5
153.05406	0.6
161.05907	10.3
163.03854	2.3
165.05402	8.7
169.04869	0.8
177.05391	0.9
179.06952	3.3
181.04915	0.5
189.00624	0.5
189.03844	0.5
189.05316	2.7
203.03316	1.4
207.06499	5.3
219.01807	0.5
231.02737	0.5
237.14841	0.7
238.29666	0.4
249.07426	0.4
254.21223	0.9
272.22046	0.4
273.07507	0.8
291.05359	0.7
291.08432	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57901	3.8
54.81131	4.9
56.96546	100.0
63.42179	4.1
84.96009	5.2
92.08655	4.4
94.67086	4.2
98.97555	51.1
105.49117	4.3
114.35938	4.1
116.98563	31.7
124.99093	22.8
134.99622	10.3
141.02217	4.6
143.00116	71.1
145.01651	6.5
152.98569	5.6
159.03258	7.0
161.01132	50.0
169.01602	9.9
170.99591	21.6
185.01198	25.8
187.02635	6.5
189.00645	50.3
202.61343	4.8
203.02187	23.5
207.01709	4.8
213.00589	16.0
216.87289	4.6
231.01651	21.6
249.02733	42.0
267.03683	8.6
278.56354	5.0
285.04614	7.4
291.03662	15.8
309.04797	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21140	0.5
51.62075	0.5
52.01740	0.5
53.03918	1.4
55.01850	1.6
55.05486	3.9
55.80898	0.6
56.96547	100.0
57.03410	3.2
59.04979	0.8
59.31444	0.6
61.02901	3.8
64.44774	0.7
67.05491	0.8
69.03401	12.2
69.07037	0.8
70.06560	1.2
70.83200	0.6
71.04964	4.1
71.95222	1.3
72.08129	1.0
73.02901	2.7
74.06042	0.8
74.97570	4.9
76.80849	0.6
79.05463	1.1
81.03391	3.2
83.04950	3.6
84.04478	1.4
84.96001	36.2
85.02876	23.8
85.06489	1.1
86.03217	1.1
86.09668	1.3
87.04407	1.1
88.75623	0.6
95.01287	0.9
95.04913	1.0
96.04476	4.0
97.02859	14.7
98.97548	34.4
99.04417	3.3
100.07587	2.5
100.99120	1.1
101.00806	1.1
102.97027	5.1
103.00616	0.9
109.02872	1.5
110.06009	3.8
110.97560	2.6
111.04413	3.1
112.07584	1.5
112.13213	0.7
112.99105	3.8
113.02359	1.1
113.05960	1.3
114.05503	3.0
114.06266	0.9
115.00657	4.4
116.98580	29.0
119.00133	1.0
119.01872	12.6
120.01907	0.8
120.98053	1.4
121.01608	7.1
121.03411	1.0
121.06454	4.2
124.99067	8.5
127.03901	8.2
127.04782	1.0
128.02267	1.4
128.07071	3.9
128.98557	3.5
129.05481	1.6
131.00124	4.6
131.01862	3.7
133.01678	6.6
133.03400	1.3
134.99606	21.0
136.06158	0.7
137.02902	4.1
139.02661	2.8
140.98543	1.6
143.00116	26.4
143.01895	2.9
144.98055	4.2
145.01665	1.3
145.03424	3.0
145.04926	1.2
146.99612	3.3
149.01242	2.7
149.02873	1.4
151.02773	1.3
151.04507	0.8
153.00699	5.0
157.03436	0.9
158.99593	7.7
159.03207	1.3
159.04956	0.9
161.01163	56.8
161.02881	7.3
162.99077	9.3
163.02673	3.3
163.04514	1.0
164.42743	0.9
165.00650	1.5
167.02139	0.7
167.12595	0.9
167.35562	0.8
168.98024	1.7
170.99606	3.5
173.01324	0.9
173.02910	2.7
174.99081	3.9
175.02710	0.9
175.04358	1.7
177.00655	10.2
179.02228	16.8
181.00172	4.5
184.02740	0.8
185.01135	2.6
185.02773	1.3
186.99071	8.0
187.02710	2.9
187.04471	1.4
187.54169	0.9
188.97073	1.7
189.00743	7.9
189.02341	1.4
189.04224	1.0
190.98569	2.8
191.02211	1.6
191.03928	0.9
192.96519	3.5
193.00142	6.2
195.01714	2.7
196.54539	6.2
201.05966	1.0
202.98555	2.8
203.02200	4.2
203.03958	2.5
205.00079	9.0
207.01768	3.8
210.06470	0.8
210.97581	3.5
212.97139	1.6
213.12958	0.9
217.00102	1.0
219.01704	3.0
221.04999	1.4
223.01187	12.2
223.04672	0.9
223.50902	0.7
230.98047	7.5
231.01701	4.0
231.14160	3.1
237.02704	6.2
245.05054	1.3
248.04349	1.1
248.08037	1.6
248.97076	1.3
248.99083	69.0
249.02667	3.7
267.00137	71.7
267.03406	3.2
272.00665	1.3
279.03824	0.9
285.01355	1.0
291.00143	4.2
291.03619	1.5
291.10016	5.1
309.01205	6.4
309.04874	4.2
309.08234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.7
55.01842	5.3
56.96549	25.9
57.03414	9.1
61.02656	0.9
61.02910	15.4
64.31979	1.0
69.03402	27.6
71.04971	2.4
72.08111	1.6
73.02879	7.8
74.06021	1.1
81.03397	9.3
84.08138	1.1
84.96003	6.1
85.02875	100.0
86.09657	2.2
87.04414	5.0
90.87044	1.0
91.03905	7.1
97.02854	37.4
98.97559	13.1
99.04406	4.1
107.04868	1.1
109.02904	7.3
110.05977	1.0
116.98585	10.6
121.06449	1.3
124.99050	2.0
127.03884	22.6
128.04213	1.3
128.06982	2.1
128.98581	1.1
129.05428	4.3
131.04858	1.5
134.99600	5.9
137.05904	1.5
143.00095	10.7
145.04915	24.8
147.04335	2.0
153.00687	1.5
157.38329	1.1
161.01187	16.8
162.99089	2.3
163.05942	7.1
174.98979	1.5
177.00551	2.0
179.02161	4.2
180.08595	2.4
193.00102	2.5
205.00154	1.2
208.09723	1.2
223.01147	2.1
237.02721	1.6
248.99089	1.9
267.00073	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	290.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
54.58822	1.2
55.01855	3.2
55.38390	1.1
56.24165	1.1
56.96543	22.6
57.03416	8.1
57.42317	1.4
61.02905	14.3
69.03402	27.4
70.06539	1.5
71.04967	6.0
72.08139	1.8
72.28434	1.4
73.02888	7.0
73.06146	1.6
74.05988	1.4
81.03387	11.5
82.06544	1.7
84.96017	1.8
85.02878	100.0
85.06459	1.5
86.06042	1.2
86.09672	2.6
87.04433	3.3
91.03916	8.8
92.09321	3.0
94.51178	1.4
95.04931	1.7
97.02847	31.5
98.97561	11.6
99.02015	1.4
99.04381	5.2
100.07609	1.9
109.02850	8.9
111.04433	1.4
115.00676	1.4
115.03139	1.3
116.98575	7.8
119.01833	1.5
120.08034	1.3
121.06513	1.4
127.03863	21.3
128.04263	2.4
128.07048	2.1
128.98563	1.8
129.05432	2.5
134.99631	6.7
143.00096	10.2
145.04926	23.1
146.99657	1.4
147.04337	1.4
157.83560	1.5
158.99669	1.9
161.01172	12.8
162.99054	1.7
163.05949	5.8
167.87582	1.5
177.00659	2.2
179.02266	2.3
180.08607	2.2
193.00148	2.5
204.99963	1.9
223.01335	2.6
230.13803	5.9
231.14186	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2519
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.00289	3.1
54.81023	2.1
55.05492	21.5
56.96524	2.9
57.07043	10.0
62.67369	2.1
62.96056	1.9
65.03893	2.2
67.05488	23.6
69.06725	2.3
69.07043	36.5
70.06553	5.3
71.04972	26.8
79.05471	26.9
81.07025	85.7
83.08566	10.7
88.07592	3.8
91.05453	21.5
93.07010	100.0
95.08574	65.0
97.10152	4.1
99.08030	3.1
105.06995	50.1
106.08609	2.7
107.07896	4.0
107.08561	87.5
108.22832	2.2
109.06496	2.8
109.10119	63.1
117.06927	3.2
119.08537	42.6
121.10100	83.6
123.04343	2.6
123.11654	21.6
127.11159	27.0
128.28386	2.4
131.08519	9.8
133.10088	32.2
135.11656	29.8
135.53093	2.3
137.13277	3.4
145.10085	16.4
147.11624	32.9
149.13194	47.4
153.01842	2.7
159.11644	12.4
159.59909	2.0
161.13206	16.4
163.03906	2.1
163.14732	12.9
173.13188	14.2
175.14722	12.1
187.14746	16.3
191.17888	9.3
193.15802	2.5
201.16327	11.7
203.17917	43.2
215.17896	10.4
243.21033	2.2
271.24075	26.8
288.28857	14.6
289.25110	35.9
289.29123	17.9
314.92392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2517
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03922	4.6
55.05493	8.1
56.96568	1.0
57.03413	0.9
57.07051	4.5
62.03107	0.7
63.57588	0.7
63.65968	0.7
64.32252	0.9
65.03892	1.2
67.05481	9.1
67.34444	0.9
69.03416	1.1
69.07043	14.2
74.55737	0.9
78.30598	0.8
79.05463	10.1
81.07026	24.4
83.08603	6.3
83.54354	0.8
85.06532	1.0
87.56451	0.8
90.42282	0.9
91.05444	21.7
92.09424	2.0
93.07006	100.0
95.04930	23.9
95.08562	19.3
97.06482	1.5
105.04459	1.6
105.06992	13.3
107.08568	17.3
109.06501	0.9
109.10121	8.3
111.08012	1.9
119.08535	9.6
121.10094	12.4
123.11646	7.1
131.08527	3.8
133.10081	7.3
135.04401	1.7
135.11613	2.1
145.10075	4.7
147.11620	4.5
149.13214	3.9
153.01820	6.4
159.11617	4.9
161.13205	5.9
163.03880	4.3
163.11118	1.0
163.14754	1.2
173.13191	1.4
175.14714	3.0
177.16139	1.1
195.17303	1.4
215.17836	1.8
249.47742	0.8
252.26627	1.0
253.27205	1.0
264.30698	0.8
271.23938	6.4
288.28998	1.2
289.07013	3.4
289.25125	14.3
289.28564	1.9
312.37546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2518
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.71424	2.9
54.41482	2.9
55.05498	31.1
57.07049	20.4
67.05483	45.7
69.07039	56.7
71.04951	8.6
79.05478	34.2
81.07028	100.0
82.45870	3.9
83.04969	7.7
83.08592	17.2
85.06548	6.5
91.05452	29.5
93.07011	91.7
94.99144	3.9
95.08573	83.3
97.10148	7.4
105.07009	59.6
107.08562	95.2
109.06468	5.2
109.10132	75.2
112.65965	3.9
117.07022	5.9
119.08559	52.8
121.10106	60.7
123.08019	4.6
123.11661	26.5
125.09583	5.7
131.08539	14.9
132.67352	3.7
133.10103	38.8
135.11647	31.0
137.13249	5.2
145.10051	20.7
147.11646	32.8
149.13202	25.9
153.01770	5.6
159.11652	26.5
161.13208	21.8
163.14816	7.0
173.13190	15.8
175.14766	15.9
187.14709	8.6
189.16301	17.6
191.17911	5.9
201.16336	7.2
203.17955	8.5
207.17401	6.1
215.17848	6.8
229.19337	4.4
271.24191	28.3
278.56052	3.9
289.22247	4.2
289.25070	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	289.2518
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
52.20670	3.6
55.05491	25.4
56.78842	3.2
57.07056	9.6
57.20409	3.1
58.76048	3.5
64.53858	3.4
67.05486	28.6
69.03433	5.0
69.07039	32.1
71.04952	7.6
79.05461	27.5
81.07030	100.0
83.08585	16.8
85.06511	4.4
85.90092	3.8
91.05440	23.2
93.07017	63.0
95.04893	6.1
95.08577	59.8
97.10168	4.3
105.06992	37.1
107.08550	52.1
107.91991	3.8
109.06506	4.6
109.10126	52.6
119.08527	41.5
121.10094	54.5
123.11677	9.0
127.11167	9.7
130.48505	3.6
131.08533	5.9
133.10081	20.9
135.11646	22.3
137.13271	5.7
145.10075	17.6
147.11646	27.1
149.13225	41.7
159.11612	16.9
161.13225	9.0
163.14735	7.8
173.13193	5.8
175.14812	6.0
177.16344	4.7
187.14767	16.0
189.16376	5.9
201.16348	9.9
203.17897	7.8
265.66660	4.0
268.86642	4.7
271.24094	29.6
289.25070	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2518
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05272	1.8
55.05492	26.5
55.06470	1.5
56.96532	1.6
57.07041	10.7
61.39833	1.5
63.06321	1.9
66.87225	1.6
67.05476	37.6
69.03396	8.6
69.07040	40.2
71.04960	1.8
79.05464	26.8
81.07024	100.0
83.08587	12.3
85.06539	2.3
89.03909	2.0
91.05447	19.4
93.07006	54.6
95.04938	1.9
95.08573	92.3
97.06477	8.0
97.07085	1.8
97.10125	3.0
104.81243	2.1
105.06992	32.0
107.04942	1.8
107.08556	59.6
109.06478	4.0
109.10120	54.9
111.11670	2.8
117.06947	2.1
119.08527	32.5
121.10093	36.1
123.08025	3.3
123.11647	24.8
125.09566	3.1
127.11177	2.7
131.08508	8.4
133.10109	15.9
135.11635	21.9
145.10094	6.9
147.11656	14.0
149.13223	23.5
151.11139	2.6
153.01849	1.9
159.11612	11.7
161.13184	16.6
163.03923	2.6
163.14772	10.6
173.13196	8.4
175.14766	7.4
177.16359	2.0
187.14758	4.3
189.16316	4.5
201.16364	6.6
203.17953	3.1
205.19255	2.4
206.19530	1.8
215.17989	6.9
271.24149	16.5
278.68427	1.9
289.25125	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	289.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34188	6.3
55.05500	51.6
57.07070	96.7
59.04984	14.1
67.05489	57.4
69.07033	77.1
71.08607	45.2
79.05449	20.5
81.07013	70.9
83.04955	47.4
85.06544	16.1
85.10172	13.9
91.05453	46.8
93.06989	74.8
95.04916	12.1
95.08572	100.0
97.06476	11.9
101.08511	8.6
105.07004	70.6
107.08580	54.0
107.33985	8.3
109.10128	40.6
112.79245	7.5
117.07006	11.7
119.08550	92.9
121.10120	36.4
123.11661	14.5
131.08536	44.8
133.10048	64.7
143.08484	19.4
145.10078	77.8
147.11693	36.0
153.01785	10.1
157.10034	36.2
159.11638	41.4
161.13200	71.0
171.11621	10.5
173.13245	40.8
175.14742	78.9
187.14764	20.8
205.92432	10.0
213.16393	12.7
215.18005	9.7
249.47968	10.8
271.20566	16.2
289.18683	9.1
289.21399	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	289.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	5.6
55.01850	5.1
55.05499	35.8
57.03389	4.4
57.07048	7.6
59.04976	6.0
59.96129	3.5
61.02900	9.5
66.75837	3.6
67.05483	51.1
69.03418	27.1
69.07041	41.4
71.04964	84.1
72.08135	4.0
79.05457	28.0
81.07022	93.7
82.85207	4.3
83.04953	31.6
83.08590	7.1
83.52625	3.8
85.06506	7.8
87.04434	6.9
91.05434	35.6
92.09404	7.5
93.07002	92.8
95.04927	42.9
95.08575	61.9
97.06489	26.3
99.08021	4.6
105.07006	57.0
107.04893	4.5
107.07984	4.4
107.08566	68.7
109.06479	29.6
109.10132	69.5
109.43189	3.7
111.04385	6.6
111.08086	5.4
113.05976	17.4
119.08547	48.9
119.21310	3.9
121.06490	7.5
121.10085	65.7
123.04379	20.2
123.08007	27.2
123.11650	6.8
125.05967	4.5
125.09579	20.6
127.07511	5.1
127.11167	35.8
129.06877	6.5
130.12254	4.2
131.08524	18.0
133.10072	35.2
135.04384	15.8
135.08081	4.3
135.11702	5.4
137.09567	100.0
139.11140	7.0
145.10104	33.3
147.11613	42.1
149.09546	42.0
149.13199	5.7
151.11151	4.7
153.01794	17.5
155.10622	31.2
157.10097	7.0
161.09531	6.3
163.03828	8.7
163.11104	16.2
165.12674	8.5
167.10638	8.7
168.06725	5.3
171.11568	4.1
175.11104	4.2
175.14717	5.1
187.14561	4.4
193.15822	6.9
197.06033	7.8
197.10646	19.0
199.13200	8.2
207.28860	3.8
213.99896	4.4
217.15787	26.2
223.16812	18.6
225.05347	4.0
235.16808	32.9
243.06245	5.1
243.11382	6.0
253.17859	36.7
271.06042	5.8
271.10776	4.2
271.18951	24.7
281.90924	4.3
289.06772	9.1
289.11731	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	289.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31102	1.1
50.52320	1.3
53.03923	2.6
55.01849	10.0
55.05490	14.9
56.96524	1.3
57.03419	1.3
57.07064	1.6
59.94775	1.3
63.09885	1.3
67.05476	25.3
67.17591	1.4
69.03390	8.0
69.07044	21.5
71.04961	19.5
71.17667	1.3
73.06498	2.6
79.05457	27.1
81.07021	79.3
82.87809	1.4
83.04950	31.5
83.08582	8.6
85.06500	9.0
91.05427	23.3
93.06996	89.0
95.04916	28.7
95.08565	55.2
97.06491	44.2
99.04414	31.4
100.52217	1.5
101.05976	1.6
101.95317	1.4
105.06992	63.5
107.04932	3.0
107.08559	44.6
109.06483	42.2
109.10118	9.0
111.08035	38.2
113.05969	7.8
117.06946	7.1
119.08530	34.3
121.06455	100.0
121.10125	7.3
123.04380	2.8
123.08022	8.5
123.11649	21.9
125.05927	21.9
127.07463	13.0
129.06956	9.1
131.08514	8.7
133.06462	5.6
133.10075	35.9
135.04398	2.9
135.08015	18.7
137.05916	3.1
137.09532	1.6
137.13173	1.7
139.07477	24.7
141.05482	2.7
142.07721	6.6
143.06989	9.4
143.08546	10.0
145.10088	8.9
147.07993	8.5
147.11635	71.6
149.13226	2.2
151.11113	14.6
155.07024	1.4
155.08530	1.9
156.09299	3.5
157.06462	1.6
157.08583	6.0
157.10054	20.9
159.06482	11.6
159.07707	1.4
161.05948	1.8
161.09615	1.6
161.13226	13.2
165.06923	2.1
165.12679	25.7
166.07739	1.5
169.12189	30.0
169.45297	1.4
171.07985	2.0
171.11601	17.4
173.09538	2.8
175.11116	46.9
178.16385	1.4
181.10078	6.9
182.68491	1.6
189.12660	25.2
193.12170	29.7
193.13737	1.9
199.11099	30.4
207.13731	8.7
211.13235	24.7
217.12163	72.8
229.14310	11.4
235.13197	63.6
239.83130	1.7
253.14243	39.6
271.15399	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0911
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.75014	0.1
53.03925	0.3
55.01855	0.2
57.03415	0.3
57.43465	0.2
61.02894	1.1
61.72184	0.2
64.16255	0.2
65.10571	0.1
69.03403	2.4
69.68809	0.2
73.02877	0.2
81.03374	1.0
85.02877	4.6
89.22052	0.2
91.05466	0.2
97.02854	1.6
99.04385	0.2
109.02840	1.0
127.03872	100.0
128.04216	0.2
145.04890	0.4
147.04337	0.4
174.39482	0.2
177.06795	0.2
185.87056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25790	1.6
51.50920	1.6
53.03932	2.3
55.01850	7.7
55.05496	15.5
57.03407	2.2
57.07061	1.6
67.05488	20.0
69.03403	3.7
69.07034	25.1
71.04962	21.8
73.06527	2.0
79.05457	35.2
81.07022	71.9
83.04949	29.3
83.08575	12.4
85.06519	13.1
91.05437	29.8
92.09375	2.4
92.63898	1.9
93.07004	100.0
95.04917	26.8
95.08569	46.6
97.06489	42.4
99.04417	36.5
101.86064	1.8
105.06990	53.9
107.04881	3.6
107.08556	53.6
109.06482	38.1
109.10135	9.4
111.08034	37.1
113.05970	8.1
117.06985	4.7
119.04915	2.8
119.08536	29.2
121.06452	100.0
121.10114	10.2
123.04345	8.0
123.08015	8.8
123.11653	15.9
125.05936	20.8
127.07529	14.5
129.06972	8.1
131.08534	9.7
133.06435	2.2
133.10075	37.5
135.04366	11.3
135.08049	17.7
135.11588	2.3
137.05879	3.5
137.09572	3.5
139.07487	30.3
142.07765	3.2
143.06976	7.5
143.08517	10.0
145.10075	11.0
147.08017	9.1
147.11627	66.1
149.09630	3.9
149.13348	2.4
151.11137	11.5
153.01767	18.5
156.09190	2.1
157.08736	3.4
157.10095	23.9
159.06471	13.3
159.07846	1.8
161.13185	12.1
163.03844	4.3
165.06877	2.6
165.12643	17.6
166.07806	2.3
169.12152	28.4
171.02946	2.6
171.11642	19.3
173.09454	2.7
175.11108	46.6
181.10042	2.8
189.12704	22.1
193.12172	33.0
199.11131	23.6
207.13745	10.8
211.13220	26.7
217.12146	61.9
219.74763	2.0
227.22156	2.1
229.14311	8.7
235.13193	53.1
240.37486	2.3
253.14246	40.0
271.15121	2.6
289.06195	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0698
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.33366	0.2
55.01859	0.3
58.60210	0.2
62.79198	0.2
65.03905	0.3
67.01838	3.0
68.99763	2.9
69.03403	1.9
76.64017	0.2
79.05442	1.0
83.01285	0.2
89.03880	4.9
92.09296	0.4
93.03341	0.9
95.04899	0.4
97.02840	1.2
107.04926	2.1
107.76451	0.2
108.41521	0.2
111.00772	2.9
111.04414	2.3
117.02530	0.4
117.03335	9.2
123.04377	5.4
123.52752	0.2
125.02284	0.4
131.04865	0.3
135.04361	16.5
137.02255	0.3
137.05905	0.3
139.03859	1.4
145.02800	13.0
145.03825	0.4
150.79890	0.2
151.03880	1.1
153.01773	100.0
153.77490	0.2
159.04326	1.2
161.05936	0.3
163.03836	49.6
164.07024	0.5
169.06325	0.3
171.02803	3.8
177.05377	0.3
179.03329	4.8
181.60754	0.2
187.03835	2.0
205.04893	1.8
209.98099	0.2
247.05943	0.4
271.05841	1.3
289.06949	42.3
290.07513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0699
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
50.79610	0.1
52.39269	0.1
53.00273	0.1
53.03919	0.1
55.01844	0.2
57.78963	0.1
65.03911	0.2
65.81182	0.1
67.01516	0.2
67.01844	3.6
68.99761	2.6
69.03394	1.2
69.23268	0.1
74.60047	0.1
77.03896	0.2
79.01810	0.2
79.05460	1.1
81.03365	0.2
81.07043	0.1
83.01304	0.2
88.79769	0.1
89.00283	0.1
89.03313	0.2
89.03877	5.4
91.05438	0.3
93.03367	0.7
93.06981	0.1
95.04914	0.3
97.02868	1.0
107.04915	2.3
107.08619	0.1
111.00777	2.3
111.04397	2.9
117.03344	8.5
119.04797	0.1
123.04386	4.8
125.02286	0.5
127.03862	0.3
129.01859	0.1
131.04822	0.2
133.44830	0.1
135.04370	17.0
136.68747	0.1
137.02258	0.4
137.05913	0.5
137.37929	0.1
139.03867	1.8
145.02805	11.3
145.03821	0.4
149.05978	0.1
151.03877	1.1
153.01779	100.0
159.04333	1.2
161.05901	0.6
163.03844	49.5
164.06999	1.4
168.94389	0.1
171.02820	4.0
177.05434	0.4
179.03345	3.8
187.03864	1.5
201.05418	0.3
205.04936	1.5
223.05981	0.1
243.06227	0.2
247.05884	0.5
253.05017	0.5
271.05905	1.6
271.14453	0.2
289.06964	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	289.0699
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
51.17741	0.2
55.01830	0.4
55.05471	0.4
65.03896	0.2
67.01838	3.5
67.05434	1.1
68.01717	0.3
68.99756	2.5
69.03411	1.9
69.07014	1.1
70.55737	0.2
79.05421	1.7
79.59947	0.2
81.03313	0.3
81.07019	2.3
83.01255	0.3
83.08567	0.4
89.03885	5.4
91.05432	0.5
93.03329	0.5
93.06966	0.5
95.08530	1.1
97.02819	1.1
98.97516	0.5
105.06942	0.5
107.04923	3.1
107.08528	0.7
109.06437	0.4
109.10143	0.4
111.00780	2.7
111.04421	2.6
117.03336	8.4
117.44313	0.3
121.10088	0.5
123.04373	5.7
127.03787	0.5
131.04895	0.3
135.04364	19.0
137.02252	0.3
139.03851	1.5
145.02803	12.1
145.03941	0.4
151.03827	0.6
153.01775	100.0
154.02113	0.5
155.02228	0.3
159.04362	1.7
161.05933	0.4
163.03838	51.1
171.02831	3.7
178.02486	0.3
179.03333	4.6
187.03851	1.6
205.04915	0.6
218.49046	0.3
271.05933	1.4
288.05688	3.5
289.06940	43.1
289.25168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0696
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
51.22982	0.4
54.18824	0.5
55.05485	0.6
59.87464	0.5
65.97617	0.4
67.01841	9.4
67.05470	0.7
68.99771	5.5
69.03396	2.5
69.07039	0.6
71.04948	1.0
72.08122	0.5
77.32938	0.5
79.05431	2.0
81.03357	0.5
81.06998	2.1
83.04926	1.1
89.03864	3.8
91.05450	0.8
93.06992	2.9
95.04909	1.9
95.08576	0.7
97.02877	0.7
105.06974	1.2
107.04907	1.1
107.08537	1.9
109.10083	2.0
111.00787	1.2
111.04415	1.2
117.03342	7.9
119.08506	0.8
121.10052	0.7
123.04391	4.6
127.03825	0.6
129.01819	0.9
133.10114	0.7
135.04372	15.4
137.05966	0.6
137.09523	1.0
139.03860	1.0
145.02806	9.1
153.01778	100.0
163.03842	32.7
163.05219	1.1
171.02806	21.9
175.14804	0.6
179.03328	4.9
187.03809	0.8
227.96707	0.5
288.25293	1.1
289.03723	1.1
289.06973	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2524
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.81998	1.6
53.17128	1.6
55.01856	2.2
55.05495	29.0
56.05011	9.0
57.03415	17.5
57.07056	2.6
58.06586	3.6
65.03928	2.3
65.98240	1.8
67.05478	81.3
68.99751	2.8
69.03391	3.0
69.07040	25.2
70.06567	32.5
71.04962	10.1
72.99162	1.8
76.34005	1.8
79.05464	60.3
81.07020	100.0
82.06556	9.2
83.04932	2.8
83.08599	4.4
84.08108	10.7
85.02878	2.1
85.06532	9.6
91.05444	35.9
93.07003	74.8
95.04922	7.4
95.08565	82.1
96.08086	31.7
97.02840	3.9
97.10114	4.7
98.09630	3.3
98.97558	2.2
99.08064	4.7
105.06995	36.4
107.08548	35.9
109.10123	29.9
110.09634	4.8
111.08064	2.7
116.98538	3.7
117.03320	2.4
119.08536	20.3
121.10104	25.5
123.11658	8.1
124.11158	2.8
125.09581	2.9
127.76093	2.4
133.10083	13.0
135.04373	10.2
135.11649	19.1
138.12646	2.5
139.11136	4.2
145.02818	3.4
147.11633	13.9
149.13255	3.9
153.01759	47.8
161.13222	9.1
162.70985	1.9
163.03835	20.8
171.02876	9.4
217.19618	2.1
234.22130	24.3
235.20465	2.4
252.23068	55.1
270.24152	71.3
288.05673	17.6
288.25217	95.5
289.06821	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	287.236
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
51.00632	2.0
55.05498	19.7
57.07041	14.9
67.05485	49.7
67.13070	2.3
69.07045	26.4
79.05461	37.0
81.07027	100.0
83.08576	3.6
85.06532	3.4
87.29496	2.5
91.05446	25.8
93.07008	69.3
95.04937	11.0
95.08567	48.8
99.08122	3.1
105.06997	56.1
107.08554	72.3
109.06470	5.9
109.10124	53.9
117.07012	5.0
119.08534	53.0
121.06489	2.5
121.10084	33.4
123.08021	12.8
123.11628	17.9
131.08556	21.5
133.10062	23.6
135.11639	33.5
137.09576	10.8
143.08539	10.1
145.10095	22.4
147.11690	28.4
149.13210	11.8
157.10037	5.7
159.11638	23.1
161.13220	10.4
161.37930	2.4
163.14709	3.0
165.12698	15.9
170.10806	3.0
171.11639	12.6
173.13167	14.3
175.14775	4.4
185.13182	4.9
187.14754	4.4
199.14728	4.3
213.16287	11.9
229.19435	4.4
265.56360	2.6
269.22540	19.8
287.05502	21.5
287.23599	46.8
308.56943	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	288.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01847	0.7
55.64582	0.3
57.03413	2.3
59.72633	0.3
61.02902	2.8
63.76243	0.4
65.03919	0.7
69.03413	6.0
71.04963	0.8
72.08134	0.4
73.02882	1.7
79.05464	0.7
80.48624	0.3
81.03379	2.5
85.02878	26.4
86.09698	0.4
91.05447	100.0
92.05751	0.4
92.09369	0.9
93.03365	0.4
93.07008	0.6
93.68089	0.4
95.04914	0.4
97.02856	18.0
99.04420	0.5
103.05433	0.9
105.07003	1.8
107.04884	0.4
109.02843	1.9
111.04402	0.6
115.03875	0.7
123.04416	1.6
127.03888	3.9
129.06955	1.5
131.04875	0.6
133.06462	0.5
135.04405	0.7
139.21198	0.4
143.08493	0.5
145.04941	3.4
145.06392	0.6
149.05925	0.5
153.06908	0.4
158.97311	0.6
161.04346	0.5
163.05919	0.6
180.08582	1.4
217.08447	0.6
231.97514	0.4
235.09566	0.4
251.74976	0.4
253.10574	0.5
288.01462	0.4
307.45145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.01865	1.0
55.05492	1.2
56.96553	1.9
57.03404	1.4
61.02885	1.4
64.32100	1.1
67.01879	1.0
69.03390	4.6
69.07032	2.0
70.06578	8.1
80.81177	1.3
81.03381	1.9
85.02861	7.6
97.02851	1.7
98.97517	2.1
99.04401	1.1
106.06548	1.1
107.04910	1.9
107.06049	2.5
112.07563	5.8
113.07880	1.3
116.07050	1.5
116.98569	1.5
121.02827	1.2
123.04356	2.2
124.03915	24.8
125.04229	21.7
125.07070	13.1
129.57950	1.0
130.08534	1.2
135.04372	2.6
153.01790	1.4
163.03914	2.4
177.00572	1.3
287.05530	8.2
287.10931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38736	0.5
55.01849	0.9
55.05490	0.8
57.03402	2.7
60.19313	0.6
67.05466	1.3
69.03404	1.1
70.06577	1.5
78.04681	1.1
78.36250	0.5
79.05468	11.6
80.14651	0.6
81.07030	1.2
85.63278	0.6
89.57627	0.6
90.49059	0.7
91.05455	4.7
93.07002	2.4
95.04925	4.3
103.05441	9.7
105.06998	9.4
107.04924	67.9
107.08555	2.5
114.09122	1.5
115.05410	4.2
117.07007	1.5
119.08539	1.0
120.05680	4.2
121.06449	1.0
121.10136	0.6
123.04385	6.1
123.08062	0.6
124.05160	4.2
125.05930	1.3
129.08241	0.7
131.04881	3.4
133.06453	2.4
135.04297	0.8
135.08015	18.7
137.05930	2.9
140.67969	0.7
145.07585	1.0
147.04372	3.1
149.05954	1.0
151.07443	0.7
152.04645	1.4
152.08257	0.8
153.01793	0.8
154.06213	3.1
163.07492	30.2
165.05475	1.1
167.06978	100.0
180.07779	3.7
193.08562	2.4
195.10106	19.5
211.09569	2.3
213.11169	18.7
287.05417	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	287.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.5
53.03915	2.1
55.01844	11.0
55.05492	15.1
56.96550	13.3
57.03417	17.4
57.07059	22.0
61.02890	8.9
65.03915	1.5
67.05482	37.6
69.03407	25.6
69.07050	29.2
70.06561	2.6
70.96088	1.5
71.04972	4.2
73.02872	3.9
73.90439	1.4
79.05452	21.2
81.03369	9.4
81.07026	62.9
83.04942	11.4
85.02862	11.4
85.06512	100.0
85.07024	3.4
87.04443	9.0
91.03869	1.8
91.05457	14.9
93.07014	28.3
95.04926	22.9
95.08565	35.2
97.02846	10.6
97.06497	15.1
98.97537	2.6
99.08060	10.4
105.07001	27.8
107.04908	2.2
107.08550	23.0
109.02836	6.9
109.06481	11.5
109.10120	14.5
111.04394	22.7
111.08023	3.2
115.03869	1.7
116.98569	2.4
117.06969	3.2
119.08528	14.0
121.06425	2.7
121.10090	11.1
123.04343	13.2
123.08020	7.5
123.11651	3.7
125.05946	11.5
125.09584	3.8
127.03806	2.4
131.08533	8.0
133.10083	7.7
135.04327	3.6
135.07986	6.8
135.11647	8.1
136.07513	3.6
137.09590	3.0
137.13217	2.9
139.11110	4.2
141.05429	12.6
143.00113	1.8
145.10089	10.2
147.08003	2.1
147.11653	7.7
149.09535	2.6
149.13185	7.5
151.07462	1.8
153.01770	6.6
153.09093	3.0
157.10042	3.1
159.07970	2.0
159.11598	2.3
161.13199	3.4
163.03867	6.6
164.04161	2.5
167.08456	2.3
173.13206	2.3
173.59428	1.6
175.11153	2.8
179.14217	2.1
189.00568	2.6
215.14320	3.0
221.15337	1.9
222.47031	1.8
233.15344	8.8
239.16321	2.8
251.16379	18.2
259.16409	1.8
263.56915	3.3
267.03766	2.2
269.17368	2.8
287.05396	48.9
287.18423	2.4
287.23926	3.1
288.05524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.5
53.03915	2.1
55.01844	11.0
55.05492	15.1
56.96550	13.3
57.03417	17.4
57.07059	22.0
61.02890	8.9
65.03915	1.5
67.05482	37.6
69.03407	25.6
69.07050	29.2
70.06561	2.6
70.96088	1.5
71.04972	4.2
73.02872	3.9
73.90439	1.4
79.05452	21.2
81.03369	9.4
81.07026	62.9
83.04942	11.4
85.02862	11.4
85.06512	100.0
85.07024	3.4
87.04443	9.0
91.03869	1.8
91.05457	14.9
93.07014	28.3
95.04926	22.9
95.08565	35.2
97.02846	10.6
97.06497	15.1
98.97537	2.6
99.08060	10.4
105.07001	27.8
107.04908	2.2
107.08550	23.0
109.02836	6.9
109.06481	11.5
109.10120	14.5
111.04394	22.7
111.08023	3.2
115.03869	1.7
116.98569	2.4
117.06969	3.2
119.08528	14.0
121.06425	2.7
121.10090	11.1
123.04343	13.2
123.08020	7.5
123.11651	3.7
125.05946	11.5
125.09584	3.8
127.03806	2.4
131.08533	8.0
133.10083	7.7
135.04327	3.6
135.07986	6.8
135.11647	8.1
136.07513	3.6
137.09590	3.0
137.13217	2.9
139.11110	4.2
141.05429	12.6
143.00113	1.8
145.10089	10.2
147.08003	2.1
147.11653	7.7
149.09535	2.6
149.13185	7.5
151.07462	1.8
153.01770	6.6
153.09093	3.0
157.10042	3.1
159.07970	2.0
159.11598	2.3
161.13199	3.4
163.03867	6.6
164.04161	2.5
167.08456	2.3
173.13206	2.3
173.59428	1.6
175.11153	2.8
179.14217	2.1
189.00568	2.6
215.14320	3.0
221.15337	1.9
222.47031	1.8
233.15344	8.8
239.16321	2.8
251.16379	18.2
259.16409	1.8
263.56915	3.3
267.03766	2.2
269.17368	2.8
287.05396	48.9
287.18423	2.4
287.23926	3.1
288.05524	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2362
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
53.00292	1.6
53.03925	3.6
55.05495	28.9
56.34809	1.6
57.03421	1.5
57.07050	4.0
67.05478	34.2
69.03407	59.0
69.07046	21.9
71.04958	10.3
71.08584	2.5
76.55479	2.0
77.06298	1.7
79.05463	28.1
81.07022	100.0
83.08600	9.1
84.34616	2.3
85.06496	2.1
91.05446	27.3
93.07005	77.0
95.04911	7.1
95.08568	70.9
97.06491	18.5
97.10164	3.0
105.06995	87.4
107.08556	91.0
108.76591	1.8
109.06495	15.8
109.10114	49.7
111.08059	6.9
117.06966	8.6
119.08537	85.2
121.06475	1.7
121.10091	68.8
123.08018	7.4
123.11658	18.1
125.09592	34.5
127.11143	2.0
129.06909	2.5
131.08525	17.9
133.10092	41.9
135.11661	22.0
137.09605	2.3
137.13228	1.8
142.07710	3.7
143.08514	10.1
145.10065	27.8
147.11630	38.8
149.13203	35.7
151.11108	4.3
156.09280	2.2
156.71750	1.9
157.10115	23.8
159.11647	30.0
161.13206	20.0
163.14742	16.0
171.11607	15.0
173.13200	23.4
174.25754	2.0
175.14737	13.0
177.12741	2.2
177.16310	3.4
185.13179	13.1
187.14771	11.8
189.13124	1.8
189.16266	3.6
199.14709	13.9
201.16431	9.5
203.17880	30.0
205.67902	1.9
213.16367	20.2
227.17830	8.5
229.19427	8.3
241.19467	2.2
269.22556	36.9
286.30893	2.9
287.05408	21.5
287.23602	53.0
287.31104	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	480-70-6
Peak:m/z	Relative Intensity
50.78440	1.5
55.01856	1.5
56.96522	1.5
57.03400	2.3
68.67487	1.4
68.99759	14.8
69.03390	8.5
69.07047	2.1
70.06555	7.7
71.04915	1.8
79.05452	15.5
81.03353	2.1
85.02856	9.0
91.05435	3.0
94.04125	2.5
95.04918	8.0
95.93851	1.7
103.05373	1.7
105.03337	3.7
107.03231	1.7
107.04919	28.3
109.02832	11.0
109.53033	1.9
111.00729	3.2
115.05402	3.2
118.42577	1.5
121.02822	22.1
121.77818	1.6
124.03928	25.6
125.04231	6.9
125.07047	3.1
127.03904	1.7
133.02800	9.7
135.04366	10.9
137.02295	13.8
141.06952	23.0
147.04335	7.2
149.02254	2.7
151.03932	2.7
153.01776	88.9
153.03026	3.1
157.06415	6.1
163.03867	2.1
165.00392	2.3
165.01768	58.3
169.06412	18.2
179.03394	2.0
183.02812	3.2
187.66217	1.8
193.01195	3.1
197.05843	24.8
201.05417	2.2
210.55292	1.6
213.05450	15.3
215.07112	2.5
225.05396	2.8
231.06436	12.6
241.04874	12.2
258.05112	2.6
259.06033	2.9
269.04337	19.6
287.05386	100.0
287.10318	2.7
287.15909	1.8
292.25937	1.8
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	Cyanidin
Peak:m/z	Relative Intensity
51.21928	0.1
55.01867	0.1
58.03255	0.1
60.35861	0.1
67.01839	2.3
68.99755	1.8
69.03381	0.1
70.07990	0.1
79.05450	0.5
89.03859	1.0
91.05479	0.1
92.58715	0.1
95.08516	0.1
101.75102	0.1
105.06972	0.1
107.04902	0.6
109.02843	0.1
111.00803	0.2
111.04375	0.2
115.05381	0.1
117.03339	1.4
117.77171	0.1
127.03838	0.1
129.01773	0.6
129.06967	0.2
135.04367	7.2
137.02277	1.6
139.05357	0.1
153.01775	17.4
157.06425	0.2
157.34073	0.1
161.02281	2.4
162.95023	0.1
167.04842	0.2
171.02835	1.9
171.04227	0.2
179.03299	0.8
185.05901	0.2
199.03862	0.1
203.03343	0.3
213.05389	0.7
231.06378	0.2
240.69754	0.1
241.04837	1.9
258.05087	0.1
269.04288	1.4
287.05389	100.0
288.05566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0541
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.74051	0.1
54.34674	0.1
64.11325	0.2
64.61095	0.2
67.01844	2.5
68.99749	1.4
73.44255	0.1
79.05455	0.3
79.49020	0.2
84.60198	0.2
89.03865	0.9
107.04894	0.4
117.03332	1.2
119.08526	0.2
123.31551	0.2
123.75054	0.2
129.01753	0.4
135.04364	7.1
137.02275	1.6
139.05392	0.2
153.01778	16.8
161.02277	1.7
169.96272	0.2
171.02827	1.5
179.03302	0.9
185.05946	0.3
213.05467	0.3
241.04906	2.6
259.05945	0.2
263.05298	0.2
269.04343	1.4
276.50778	0.2
287.05392	100.0
288.05719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0539
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03924	0.3
54.81109	0.4
55.01861	0.3
55.05508	2.3
56.96549	9.1
57.03413	1.3
63.87503	0.3
64.32671	0.3
65.03915	0.7
67.01850	0.6
67.05482	2.6
68.99758	2.5
69.03400	1.5
69.07028	2.1
70.06572	0.7
74.97588	0.3
78.12117	0.3
79.05460	4.4
81.03382	1.4
81.07021	3.6
83.04962	0.7
83.08584	0.4
85.02853	0.6
85.06498	1.6
86.09690	2.3
86.28006	0.4
90.03889	0.3
90.14104	0.3
91.05447	2.0
93.07021	2.9
95.04916	1.8
95.08582	3.1
97.02847	0.8
97.06518	4.5
98.06785	0.4
98.97545	1.4
105.03342	1.3
105.06981	1.6
106.58121	0.3
107.04910	1.9
107.08555	1.9
109.02846	1.4
109.10119	0.7
111.00771	1.6
111.04386	1.4
111.08076	0.5
115.05432	0.5
116.98565	0.6
117.03336	0.4
117.06928	0.4
119.08541	1.7
121.02831	8.6
121.10075	0.8
123.07977	0.4
124.99099	0.5
125.09572	0.4
128.10669	0.8
129.06996	0.4
131.08551	0.6
133.02840	1.4
134.05943	0.6
135.04350	1.5
135.11639	0.6
136.07556	0.6
137.02306	3.0
137.09538	0.5
141.02179	0.4
141.06900	0.5
143.00102	2.5
145.10040	0.5
147.04378	2.6
147.07997	0.4
147.11632	0.4
149.13162	0.5
152.07039	0.4
153.01788	15.0
157.06454	2.2
158.99579	0.5
159.03241	0.6
160.05119	0.6
161.01125	2.4
161.05952	2.7
162.06258	1.3
163.03857	4.3
164.04198	1.7
165.01776	4.4
170.99590	1.7
171.04393	0.6
174.06512	0.5
175.03914	0.4
176.04228	0.4
177.00668	0.5
183.02840	2.4
185.01216	0.7
185.05911	2.2
187.02658	0.4
189.00613	3.1
189.05417	0.6
189.08984	0.5
190.00963	0.4
195.08067	0.4
197.05798	0.4
203.02118	0.5
207.01749	0.4
213.00612	0.7
213.05417	4.4
215.06978	2.5
216.04163	0.4
216.07288	1.6
231.01714	1.9
231.06438	1.5
237.02803	0.5
241.04849	1.9
249.02699	1.3
250.03127	0.6
258.05170	2.2
259.05933	0.6
263.06580	0.7
263.56824	2.8
267.03720	0.8
268.22766	0.4
286.23703	1.6
287.05405	100.0
287.23917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01847	0.7
55.05481	2.1
56.96545	9.1
57.03405	0.9
65.03909	0.4
67.01832	0.4
67.05475	3.6
68.99764	3.3
69.03391	0.7
69.07034	3.0
70.06544	1.5
71.04942	0.7
73.02863	0.4
76.55331	0.3
79.05467	4.6
81.03370	0.8
81.07021	4.1
82.06494	0.4
83.04941	1.6
83.08582	0.5
85.02854	0.6
85.06499	2.0
86.09669	2.3
91.05431	2.8
92.09274	0.6
93.06994	2.5
95.04906	2.3
95.08527	2.0
97.02833	0.9
97.06499	3.3
98.06780	0.5
98.97528	1.9
103.05418	0.5
105.03339	0.9
105.06973	2.1
107.04941	1.8
107.08539	2.7
108.08959	0.4
108.60351	0.4
109.02855	1.6
109.06502	0.4
109.10120	0.7
111.00740	2.5
111.04390	0.8
113.16090	0.5
116.98564	0.7
117.06967	0.9
119.08540	0.6
121.02808	10.8
121.06450	0.5
121.10090	0.9
123.04401	0.5
123.07995	0.6
124.99086	0.5
125.69590	0.4
127.03845	0.5
128.10585	0.5
129.06950	0.6
133.02817	0.8
134.06001	0.5
135.04379	1.5
137.02322	3.0
141.06923	0.6
143.00117	1.5
143.08437	0.6
145.06442	0.5
145.10048	0.6
146.99580	0.5
147.04364	1.7
151.03873	0.5
152.06993	0.5
153.00603	0.8
153.01781	14.8
157.06427	2.7
159.03239	0.5
161.01151	2.7
161.05899	2.4
162.06093	0.6
163.03809	4.5
164.04224	1.4
165.01758	5.4
166.12645	0.4
170.99553	2.2
171.04285	0.4
173.05948	0.4
177.00598	0.4
179.02176	0.5
183.02786	2.4
185.01193	0.5
185.05878	1.7
187.02620	1.0
189.00580	3.2
189.05396	0.5
203.06946	0.4
213.00702	0.6
213.05424	5.0
215.06979	2.3
216.07190	0.8
229.04720	0.5
231.01712	1.7
231.06422	2.0
241.04897	3.1
249.02679	1.5
250.03014	0.6
250.21724	0.5
258.05112	2.2
259.05908	0.7
263.06763	0.7
263.17459	0.4
263.56821	2.0
267.03726	0.6
268.22620	0.6
269.04312	0.6
286.23798	2.2
287.05383	100.0
287.23804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3097
Annotation	ES-285
Peak:m/z	Relative Intensity
51.10437	0.5
53.96584	0.5
55.05497	9.6
56.05009	0.5
57.07056	9.2
58.06587	4.5
59.04961	0.8
69.07040	8.2
70.06556	2.9
71.07355	0.7
71.08591	3.8
71.61002	0.6
72.08125	28.4
77.55374	0.6
83.08598	5.2
84.08121	0.6
85.08900	4.6
85.10140	1.2
86.09673	3.1
88.07579	1.3
90.09165	9.8
93.07020	0.6
97.10124	1.4
98.09634	0.8
148.30461	0.6
216.43707	0.7
230.24731	3.9
242.28180	0.7
268.26950	1.5
268.29895	54.4
286.30942	100.0
287.05399	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	287.0525
Annotation	Cyanidin
Peak:m/z	Relative Intensity
54.80637	0.8
55.01825	0.9
55.05480	1.2
59.28541	0.7
59.73120	0.8
60.21449	0.8
67.01820	1.1
67.05490	1.3
68.99774	1.0
69.07029	1.6
79.05466	2.1
81.07024	4.8
89.03887	0.9
90.17458	0.8
91.05423	1.8
92.09343	1.0
93.07021	1.9
95.08543	4.5
102.30123	0.9
105.06953	1.7
107.08535	0.9
134.70108	1.0
135.04372	5.9
137.02295	1.1
145.10045	1.1
152.82594	1.0
153.01778	16.3
161.02290	1.7
167.08437	1.1
171.02800	1.0
213.05380	1.0
227.10661	1.1
241.04820	1.2
286.23480	1.3
287.05386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98801	1.0
55.05275	1.3
55.05497	19.5
55.87214	0.9
56.05024	8.1
56.96549	8.7
57.03416	4.6
57.07047	4.0
58.06583	69.1
67.05483	28.0
69.07040	19.9
70.06557	8.5
71.07340	7.0
72.08122	7.2
79.05458	11.6
81.07030	31.0
82.06516	1.2
83.04903	1.1
83.08574	5.7
84.08118	31.3
91.05471	1.8
92.25404	1.2
93.07011	16.9
95.04954	1.3
95.08567	26.2
95.41193	1.2
96.08073	3.8
97.06509	7.5
97.10138	1.3
98.09657	6.5
98.97532	2.3
105.62852	1.1
107.08577	8.2
109.10121	10.7
110.09653	2.2
116.98563	1.2
121.10068	4.4
123.11654	1.7
129.53868	1.0
135.04448	1.2
135.11656	1.6
143.00153	2.2
153.01764	1.8
161.01070	1.3
163.03865	2.5
168.17441	1.2
183.57536	1.0
189.00708	1.1
189.37823	1.1
215.07036	1.4
249.02757	1.7
250.25218	43.2
259.09583	5.5
268.26254	60.7
286.27313	100.0
287.05463	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	286.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	30.3
55.05718	3.7
56.05005	7.1
57.03402	6.4
58.06566	3.0
67.05483	56.6
69.07028	17.7
70.06563	25.3
71.04945	14.3
72.08131	4.7
74.06043	6.2
79.05457	70.7
81.07027	72.5
83.08593	4.6
84.08101	13.2
85.06508	5.1
86.31949	2.9
91.05442	62.9
93.06999	77.5
93.44932	2.7
94.06514	5.7
95.04925	7.5
95.08570	64.0
96.08071	31.4
98.09662	3.3
98.95071	3.1
105.06997	55.7
107.08566	33.3
109.10108	16.4
110.09615	3.6
111.08041	4.9
114.09132	22.2
117.06969	22.4
119.08523	29.2
121.10110	16.1
124.11146	11.7
129.06850	4.7
131.08513	19.6
133.10075	23.2
135.04352	6.8
135.11647	4.8
139.62204	3.2
145.10060	16.8
147.11632	3.4
153.01788	40.6
159.11609	6.6
161.02272	3.7
171.92468	3.2
173.13168	4.0
175.14688	3.0
212.00562	3.3
232.20412	6.6
250.21609	36.7
259.05966	4.7
268.22604	96.9
284.82922	3.8
286.23639	49.0
287.05399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01869	8.0
55.05493	25.4
56.96548	3.9
57.03421	26.2
57.07064	3.4
67.05486	48.2
69.03398	9.2
69.07040	24.0
70.06575	35.3
71.04975	15.6
72.08128	1.9
73.02914	3.4
75.31061	2.0
76.00964	2.7
79.05463	59.4
81.03414	2.6
81.07028	63.9
82.06563	5.1
83.04940	8.9
83.08600	10.0
84.08121	9.6
84.13459	2.4
85.02886	3.9
85.06522	21.4
91.05447	45.0
93.07011	50.1
93.32932	2.2
94.74340	2.2
95.04929	5.2
95.08580	43.1
96.08097	9.9
97.02840	2.9
97.06496	9.8
97.10134	2.3
101.70161	2.0
105.07004	40.6
107.04939	2.6
107.08560	27.3
108.08060	2.4
109.06493	4.0
109.10138	12.9
110.09689	3.6
111.04417	2.8
111.08093	3.2
114.23201	2.1
117.06993	12.3
119.01910	2.4
119.08553	24.2
121.10099	25.6
124.11184	9.9
124.30549	2.1
125.09624	2.8
130.07640	2.4
131.08543	8.4
132.08884	2.3
133.10085	13.6
135.11636	4.6
136.11189	2.5
137.13208	3.1
145.10075	5.1
147.11685	9.6
149.13216	3.5
159.11635	4.2
161.13281	9.8
173.02945	2.3
188.70551	2.4
250.21608	17.9
268.22589	42.0
286.23679	100.0
287.05414	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	286.0914
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03913	0.2
56.96548	0.1
61.02889	0.1
67.90886	0.1
69.03394	0.4
69.07043	0.1
70.06569	0.5
78.03410	0.1
80.04988	3.0
81.03403	0.2
82.03890	0.1
85.02869	1.1
85.31985	0.1
96.04451	2.0
97.02885	0.4
108.75352	0.1
112.07607	0.1
120.42176	0.1
123.04411	0.1
124.03909	100.0
125.04250	0.2
145.04919	0.2
227.51987	0.1
286.09143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03246	0.2
55.01871	0.2
56.96544	0.2
57.03419	0.3
59.04976	0.3
69.03403	1.0
70.06566	100.0
76.02204	0.3
77.31149	0.2
77.40574	0.2
78.38348	0.2
80.04990	1.3
81.07030	0.5
84.04467	0.3
84.08114	0.3
85.02863	1.7
87.04434	0.3
95.06060	0.4
97.02860	0.3
106.06505	5.4
110.07137	2.1
111.21280	0.3
112.07568	70.1
116.07097	0.4
121.47386	0.3
124.03906	22.8
124.07544	4.1
130.35406	0.3
140.07019	25.0
147.07520	0.5
149.82881	0.2
157.09698	2.2
163.03885	0.3
164.08186	0.3
170.79463	0.3
268.12857	0.5
286.09442	2.1
286.13760	2.3
286.17096	0.5
287.10873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2205
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.61640	2.7
55.01859	3.4
55.05497	27.4
56.81649	2.8
56.96550	4.6
57.07044	13.5
58.06569	16.1
60.11182	2.2
67.05482	68.5
69.07043	31.9
71.04936	3.3
72.08123	4.6
79.05464	30.3
81.07021	78.4
83.04945	3.2
83.08588	7.5
88.85720	2.6
91.05442	30.9
93.07000	42.2
95.04951	5.5
95.08540	25.4
97.06487	5.6
97.10136	3.6
105.06998	64.1
107.08583	28.6
109.06449	4.6
109.09410	4.6
109.10120	100.0
117.06960	5.8
119.04875	3.9
119.08549	36.4
121.10054	12.7
129.06949	3.6
131.08533	44.1
133.10091	22.8
135.11668	6.9
137.09479	4.5
142.07791	3.4
143.08533	22.3
145.06458	3.2
145.10045	28.9
146.72255	3.4
147.08005	6.3
147.11641	14.5
151.11076	3.4
155.08501	11.2
157.10072	18.7
159.11732	24.4
161.09566	12.9
161.13174	4.6
169.10056	16.3
171.11618	6.9
173.13295	10.3
185.13188	7.0
187.14728	3.8
197.13148	4.1
199.14758	5.0
201.16376	5.2
211.14827	4.8
213.16370	3.8
226.25215	83.1
229.15770	14.0
244.26250	50.8
266.27570	3.4
267.21017	12.4
285.22128	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2205
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.79926	4.0
55.05501	29.9
57.07066	10.1
62.48450	4.3
66.37365	4.4
67.05483	31.7
69.07047	71.6
71.04977	6.0
72.72266	4.7
79.05476	24.2
81.07021	38.4
81.93148	4.9
83.08623	5.8
85.09338	5.5
91.05461	22.7
93.06993	38.5
95.04919	7.4
95.08572	47.3
97.06489	10.2
105.06991	84.8
107.08563	46.4
109.06508	26.9
109.10139	18.8
117.07006	6.0
119.08533	100.0
119.87692	5.9
121.10098	37.0
123.11678	10.7
131.08501	6.6
133.10069	53.5
135.11682	5.1
143.08559	6.3
145.10069	12.0
146.07155	6.5
147.11661	11.8
157.10120	6.2
159.11636	5.7
161.09540	62.0
161.13251	6.1
173.13203	7.6
175.14719	57.8
183.11546	5.8
193.15860	7.9
201.03093	5.0
285.21921	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	285.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05500	18.9
57.03155	1.1
57.03420	26.5
61.72170	0.8
65.03912	0.8
67.05482	34.0
68.84617	0.8
69.07043	21.3
71.04959	6.0
78.47248	0.9
78.55704	0.8
79.05463	24.8
81.07027	100.0
83.04951	5.1
83.08584	7.2
83.15469	0.9
83.46936	1.0
85.06520	7.0
87.45921	0.8
91.05443	23.2
92.08727	2.0
93.07012	13.1
95.04945	1.9
95.08575	20.3
95.21999	1.1
97.06492	5.9
99.08028	4.6
101.57993	1.2
105.07001	35.1
107.08570	8.7
109.06486	6.1
110.46695	1.0
119.08538	28.8
121.10094	14.8
123.08023	2.1
123.11661	19.9
127.07526	1.3
129.06943	1.7
130.01749	1.0
133.10054	1.6
141.96065	1.0
142.93774	0.9
147.11644	42.2
151.52122	0.9
157.10083	1.7
165.12675	18.8
175.11169	1.8
183.13797	1.6
229.14291	4.3
267.15872	4.0
285.16852	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36030	1.0
53.00286	1.4
54.80184	1.0
55.01849	3.1
55.05498	22.1
56.96544	10.6
57.03418	26.9
57.07053	2.4
58.06579	7.5
63.82916	1.2
65.03904	1.3
67.05482	42.7
69.03394	3.3
69.06679	1.6
69.07040	25.7
71.04964	6.8
71.08589	1.3
73.02869	2.5
73.06535	1.2
77.12269	1.3
79.05457	22.9
81.03384	1.7
81.07027	100.0
83.04945	8.4
83.08573	9.7
84.08105	2.9
85.06510	7.1
91.05451	28.2
93.07014	19.1
95.04916	5.5
95.08581	24.6
97.02837	2.9
97.06483	10.0
98.97557	3.3
99.08044	2.5
105.06993	42.1
107.08560	13.2
108.98423	1.4
109.06466	7.4
109.10143	5.4
111.08035	1.9
112.97267	1.5
116.98589	2.4
119.08547	29.1
121.10110	18.4
123.08035	2.0
123.11678	22.2
128.98558	2.1
129.07002	1.9
131.08542	6.1
133.06381	1.8
133.10081	2.1
134.99680	1.7
142.07713	1.8
143.00151	1.8
143.08553	1.5
145.10094	5.4
147.11642	47.2
157.10086	5.1
159.94087	1.3
161.01146	6.0
163.03760	1.6
165.12692	15.6
193.06361	3.0
193.12125	1.6
203.02725	2.3
210.06789	1.9
225.08957	2.2
229.14209	3.0
252.26567	1.4
253.08392	6.1
259.09735	1.4
266.24667	6.1
267.15909	2.0
267.25021	2.8
283.06332	2.0
284.25772	3.3
285.07315	1.6
285.16867	36.6
285.21915	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04974	0.7
52.50644	0.8
55.01852	2.0
55.05251	0.8
55.05497	18.8
57.03154	1.3
57.03421	27.1
57.07059	2.0
67.05484	39.3
69.07043	18.1
71.04961	8.2
79.05465	23.5
81.03403	1.1
81.07027	100.0
83.04948	5.9
83.08590	8.5
85.06507	6.8
91.05449	26.7
93.07015	18.3
95.04918	5.1
95.08576	21.6
97.06493	7.6
99.04359	1.2
99.08040	4.8
105.07001	34.5
107.08563	10.1
109.06504	6.6
109.10118	4.6
111.08029	1.8
113.05940	1.7
117.07031	1.1
119.07741	1.4
119.08544	30.1
121.06483	0.8
121.10108	16.7
123.08035	1.8
123.11662	20.5
129.07028	1.6
131.08528	2.0
133.10068	4.3
135.08064	1.4
137.09596	1.1
142.07770	1.3
143.08514	1.1
145.10080	2.3
147.10468	1.6
147.11646	44.3
157.10068	5.1
165.12701	14.9
167.06996	4.4
175.11115	1.8
193.12360	1.1
203.14195	1.1
229.14291	1.5
267.15707	1.8
285.11502	0.9
285.16882	33.0
285.21948	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.2
55.01846	1.5
55.05270	1.1
55.05494	16.0
57.03147	1.2
57.03418	24.9
57.07033	1.5
61.37391	0.9
67.05479	38.6
69.07040	20.4
71.04973	8.2
79.05458	19.9
81.03379	2.6
81.07024	100.0
83.04947	5.5
83.08587	8.1
85.06508	5.3
91.05442	20.7
92.08595	1.1
93.07017	14.1
95.04911	2.5
95.08566	21.3
97.06498	6.4
99.08063	4.0
105.06995	34.5
107.04908	1.0
107.08588	11.6
109.06479	4.7
111.08037	1.2
117.06956	1.0
119.08537	23.8
121.10108	19.8
123.08049	2.3
123.11663	24.1
124.78294	1.1
127.07422	1.1
129.06940	2.6
133.10181	3.5
137.13179	1.3
147.11641	39.5
157.10010	2.2
165.12674	14.9
168.08031	2.6
180.08005	5.3
183.13681	1.5
193.12199	1.8
229.14264	1.9
267.15839	1.6
268.13193	4.4
285.16858	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	285.0962
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03925	3.0
55.01855	3.3
55.05491	0.6
57.03423	7.9
58.40960	0.4
59.04966	0.5
61.02608	0.6
61.02904	15.0
61.95143	0.3
67.22913	0.4
69.03406	22.8
71.04961	2.8
71.58427	0.4
73.02888	6.8
79.05461	34.7
81.03387	8.8
81.07010	0.5
83.01299	0.8
85.02878	100.0
87.04436	3.0
91.03918	5.4
95.04943	2.3
97.02859	20.3
99.04411	4.1
99.13474	0.4
100.11242	0.7
101.02355	0.5
105.03354	8.9
109.02856	6.4
123.04391	34.4
127.03870	14.7
141.05467	0.7
145.04924	16.3
163.05957	3.3
230.49577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39328	0.9
52.37824	0.9
54.73956	0.9
54.80786	1.1
55.01854	2.3
55.05246	1.5
55.05493	23.9
56.26394	1.1
56.96530	1.3
57.03419	29.2
57.07045	2.0
61.78105	1.2
62.39513	1.1
67.05478	36.5
69.03410	1.5
69.07037	19.5
71.04967	9.3
75.73534	1.0
79.05458	24.4
81.03381	17.2
81.07022	100.0
83.04974	8.4
83.08591	14.4
85.02856	5.3
85.06496	7.0
91.05447	26.9
93.06998	14.9
95.04910	8.8
95.08562	22.6
97.06476	9.2
99.08076	2.4
105.06998	30.1
107.08569	11.7
109.06459	6.0
109.10117	4.7
113.05961	2.1
119.08538	29.4
121.10071	18.1
123.08025	1.5
123.11650	19.1
125.09560	1.3
129.06944	4.8
131.08508	2.6
133.10039	2.5
147.11638	46.5
148.34607	1.2
152.28308	1.2
157.10088	5.3
165.12697	14.3
175.11157	2.9
193.12212	10.2
211.13226	2.5
229.14197	1.9
267.15720	2.2
285.13916	2.2
285.16846	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	284.2942
Annotation	Aldimorph
Peak:m/z	Relative Intensity
55.05493	13.5
56.05006	0.9
57.03417	11.5
57.07049	3.9
58.06567	4.3
63.63306	0.9
64.33062	1.0
67.05479	13.8
67.72836	0.9
69.07034	11.7
70.06561	5.1
71.08567	0.9
72.08128	32.6
76.84045	0.8
79.05499	1.1
81.07021	15.0
83.08584	4.1
84.08098	5.3
85.06514	0.9
85.08897	17.7
86.09662	1.1
92.08781	1.9
95.08574	10.2
97.10117	2.0
98.09668	12.8
99.10375	0.9
100.25973	1.0
109.10113	5.3
134.24379	0.9
151.11995	1.1
224.68625	0.9
241.49675	1.0
245.65785	1.1
266.28333	65.5
284.29382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98822	1.3
53.03903	1.6
54.68819	1.4
55.05280	1.4
55.05500	25.6
56.05008	10.0
56.96547	12.8
57.03412	3.5
57.07051	8.4
58.06579	64.9
59.31078	1.6
60.39430	1.5
67.05477	40.2
69.03349	1.5
69.07037	14.2
70.06553	8.5
70.88803	1.5
71.04945	2.5
71.07331	10.4
72.08147	2.2
73.41762	1.3
73.50413	1.3
79.05459	27.3
81.07021	47.1
83.08559	2.6
84.08106	45.3
84.95991	6.5
91.05459	26.1
93.07009	49.0
94.07351	1.7
95.04906	2.5
95.08567	32.1
96.08111	3.4
97.08855	1.8
98.09644	7.5
98.97542	65.9
105.04424	1.9
105.07000	21.3
107.08541	31.2
108.08846	2.3
109.10130	14.3
110.09644	6.6
110.97521	2.1
112.99080	3.0
115.61761	1.5
116.98573	40.2
119.08526	16.0
120.78271	1.6
121.10081	11.8
123.11657	3.1
124.11185	3.9
128.98579	1.8
131.00108	10.5
133.10097	8.9
134.34895	1.6
134.99605	10.1
135.11604	10.1
136.11111	2.0
138.12776	2.8
147.11633	3.5
149.01169	8.3
149.13222	10.5
151.10927	2.0
158.99611	11.5
161.01315	1.8
161.13181	3.1
162.99135	2.0
173.01125	2.4
177.00615	22.9
191.02267	7.5
195.01646	2.3
201.00626	2.3
202.98650	2.0
203.17880	2.7
219.01648	2.3
229.10857	3.5
237.02855	1.8
244.99525	2.1
248.23647	19.7
263.10315	2.0
266.24673	60.0
284.25723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1533
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03934	5.8
55.01859	55.0
55.05500	91.6
57.03419	66.5
57.07053	4.3
57.42761	2.8
58.06577	4.1
59.04985	12.2
60.12628	2.7
67.05482	44.6
68.67599	3.0
69.03384	3.8
69.07033	18.1
71.04960	17.8
79.05457	67.0
81.03390	29.1
81.07021	59.5
83.01315	57.0
83.04952	51.6
83.08586	48.2
85.02883	15.8
91.05442	54.4
92.08723	6.5
93.07005	87.8
95.04938	28.7
95.08569	18.8
97.02882	3.8
97.06484	18.0
97.10150	3.1
98.97523	6.6
98.98401	3.4
99.04429	6.8
105.07014	34.9
107.04942	29.1
107.08575	38.2
109.06490	16.2
109.10117	6.3
117.06968	24.9
119.08537	20.4
121.06474	12.0
121.10132	16.3
123.08025	22.5
131.08487	3.8
135.08105	4.5
135.11661	20.7
137.09593	4.4
145.10062	32.5
153.12740	6.4
163.11128	56.2
171.70129	2.9
173.09654	2.8
181.12216	6.1
191.10617	4.6
209.11682	12.7
227.12790	5.1
283.15295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0985
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01841	0.2
56.96537	0.7
57.03432	0.9
59.04985	3.5
59.86323	0.1
60.49912	0.1
61.02892	0.6
62.50301	0.1
63.64077	0.1
69.03407	1.3
71.01317	0.1
71.04958	0.1
72.25298	0.1
73.02888	0.1
77.10515	0.1
81.03396	0.2
85.02873	3.4
87.04436	6.1
91.03946	0.1
95.04977	0.1
97.02850	1.1
98.97548	0.4
99.04449	0.1
100.71496	0.1
102.87607	0.1
105.05461	2.2
109.02830	0.3
109.05085	0.6
110.03482	2.7
111.04428	0.1
113.27921	0.1
116.98599	0.2
119.01929	0.1
122.08153	0.1
127.03854	0.6
128.04523	2.2
131.01961	0.1
134.04558	0.3
135.02980	5.5
142.23689	0.1
145.04927	0.7
147.04353	0.1
152.05627	100.0
153.04028	11.1
155.00089	0.2
163.05930	0.1
172.95212	0.2
180.08618	0.1
214.96202	0.5
219.01842	0.1
242.95717	0.2
260.96588	0.4
261.02869	0.1
299.35730	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	284.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01851	1.3
56.96550	5.2
57.03406	3.4
57.07045	0.6
59.04980	51.8
61.02892	4.3
62.50593	0.4
69.03407	9.8
71.01312	0.5
71.04960	1.1
73.02873	2.8
75.44856	0.5
81.03381	3.8
85.02873	28.9
85.62969	0.5
87.04437	87.0
97.02857	10.1
98.97525	3.9
99.04415	2.0
105.05476	32.9
109.02841	3.4
110.03479	2.4
116.98576	2.0
119.01862	1.3
122.08089	2.2
123.04327	0.6
127.03894	4.9
128.04501	1.1
131.00122	0.8
135.02971	5.5
145.04915	4.3
152.05627	100.0
153.04044	12.0
154.02425	0.6
154.94119	0.7
155.00031	0.7
158.92848	0.5
166.23215	0.5
172.95174	1.0
179.80103	0.6
180.08591	3.3
190.96275	0.8
214.96214	0.7
219.01875	1.2
260.96738	0.9
261.02869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.153
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	5.7
55.01858	54.9
55.05496	100.0
57.03418	85.2
57.07056	5.2
59.04993	12.0
63.96898	4.5
67.05478	47.0
69.07040	22.2
71.04948	6.7
74.19577	4.0
77.31458	4.6
79.05459	78.2
81.03381	19.4
81.07033	66.7
83.01308	50.1
83.04949	46.3
83.08578	53.1
85.02882	4.8
91.05453	31.2
92.09421	8.8
93.07004	79.7
95.04937	25.2
95.08571	27.1
97.06490	10.0
99.04410	5.4
105.07003	34.5
107.04918	19.1
107.08529	36.7
109.06487	24.0
117.06979	8.4
119.08527	19.4
121.10152	5.6
123.08051	11.0
135.11661	24.1
145.10121	27.5
163.11119	55.4
200.93394	5.4
209.11739	10.9
211.80916	5.4
283.15295	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68735	3.8
55.01859	45.1
55.05283	5.2
55.05497	100.0
57.03419	90.4
57.07052	10.4
57.11243	4.2
59.04974	7.6
67.05484	43.5
69.07021	9.1
71.04951	17.8
74.41447	4.3
79.05466	69.0
81.03381	26.5
81.07027	62.7
83.01293	50.3
83.04963	46.7
83.08596	37.1
85.02871	9.6
91.05434	45.0
93.07015	87.2
94.93550	5.7
95.04932	27.6
95.08566	25.2
97.06492	7.5
99.72349	5.1
105.06992	22.2
107.04923	5.7
107.08558	40.6
109.06465	17.3
117.06979	21.2
119.08538	11.2
120.84016	4.5
121.10050	18.2
123.08021	10.4
126.71936	4.4
131.08557	9.5
135.11649	24.9
137.09541	6.0
145.10098	30.8
150.06494	5.3
153.12672	7.9
163.11098	61.3
173.09419	6.2
209.11623	18.6
283.15268	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1532
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03922	4.9
55.01866	50.2
55.05252	5.1
55.05498	100.0
57.03150	5.3
57.03417	85.1
57.07058	4.1
59.04960	15.9
63.09395	3.1
67.05489	43.5
68.22537	3.3
69.07030	17.0
71.04957	17.3
79.05460	62.1
81.03375	20.4
81.07026	61.5
83.01314	49.9
83.04952	46.8
83.08595	37.1
85.02885	7.6
86.84467	3.1
88.29274	3.0
91.05441	39.1
93.07020	84.0
94.54031	3.7
95.04953	29.9
95.08563	28.5
97.02880	4.9
97.06499	9.7
99.04422	5.6
103.05401	3.9
105.06993	33.5
107.04926	21.8
107.08559	32.9
109.06494	19.5
109.10177	3.8
111.04383	5.8
112.17006	3.3
116.06182	3.5
117.06957	21.8
119.08535	21.7
121.06456	4.8
121.10102	18.4
123.08022	20.7
125.05917	4.9
127.95805	2.8
131.08513	6.7
135.07961	3.1
135.11604	25.5
135.74957	3.4
145.10048	28.9
149.36974	3.5
153.12643	4.3
163.11095	51.3
173.09535	5.7
181.12218	5.8
191.10553	5.6
207.76210	3.8
209.11621	13.9
219.44823	3.6
219.49251	3.7
227.12729	7.6
279.86130	3.4
283.15317	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.8
55.05474	0.5
56.96543	0.6
57.03407	0.7
61.02896	0.9
65.03902	2.3
69.03399	8.1
70.64571	0.5
81.03378	2.6
84.73558	0.5
85.02891	4.3
88.58520	0.5
91.74337	0.5
95.04923	5.7
97.02851	5.4
103.07560	0.5
109.02838	2.2
111.04400	2.5
121.02823	100.0
124.70397	0.5
127.03887	0.7
139.03836	3.4
182.81783	0.6
265.06952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.8
55.05474	0.5
56.96543	0.6
57.03407	0.7
61.02896	0.9
65.03902	2.3
69.03399	8.1
70.64571	0.5
81.03378	2.6
84.73558	0.5
85.02891	4.3
88.58520	0.5
91.74337	0.5
95.04923	5.7
97.02851	5.4
103.07560	0.5
109.02838	2.2
111.04400	2.5
121.02823	100.0
124.70397	0.5
127.03887	0.7
139.03836	3.4
182.81783	0.6
265.06952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76904	4.9
54.81533	4.9
55.01851	45.4
55.05255	6.7
55.05496	92.8
57.03418	84.8
57.07054	11.1
59.04974	7.2
64.64891	4.2
67.05489	39.5
69.07047	11.1
71.04959	12.8
79.05476	73.4
81.03384	27.4
81.07034	70.0
82.09559	5.7
83.01302	40.2
83.04951	45.0
83.08598	42.2
85.02861	5.9
91.05434	36.0
92.08696	20.9
92.71417	4.7
93.07013	75.9
95.04905	7.3
95.08572	34.6
96.75921	5.2
97.06467	9.7
98.13920	4.6
103.36241	4.9
105.06983	21.9
107.04906	12.7
107.08543	26.2
109.06494	12.7
111.04391	8.0
117.07005	31.1
119.08514	21.7
121.10103	25.6
123.07987	21.4
127.04337	5.3
135.11659	11.4
145.10072	32.9
163.11150	53.6
179.08704	5.4
191.10480	5.7
196.70969	5.6
209.11736	11.8
242.24695	31.0
246.26787	5.0
283.15302	100.0
292.45883	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	283.1531
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03919	5.1
55.01854	57.2
55.05240	5.1
55.05494	98.0
57.03420	93.0
57.07043	3.7
58.64819	2.7
59.04973	13.8
60.90674	2.3
66.67274	3.2
67.05475	37.3
69.07050	15.5
71.04973	13.0
72.28550	2.5
79.05457	70.7
81.03385	28.4
81.07026	62.0
82.44899	3.0
83.01308	60.3
83.04949	56.7
83.08598	50.5
85.02875	6.9
91.05447	55.5
91.64828	2.8
93.07006	84.0
95.04930	25.0
95.08574	19.8
97.02874	4.3
97.06495	14.4
97.10117	3.4
97.49385	2.6
99.04397	5.8
105.06997	40.0
107.04913	29.1
107.08572	37.1
109.06500	27.6
109.10150	2.7
111.07990	3.0
117.06967	29.1
117.14141	3.2
119.08529	19.8
121.06468	6.8
121.10106	21.1
122.26471	3.1
123.08055	22.6
130.07756	5.2
131.08536	4.9
135.11670	22.3
145.10054	36.1
148.78091	3.5
163.11133	65.4
173.09550	4.3
173.49997	3.3
181.12129	6.3
207.18878	3.2
209.11636	15.7
278.11264	3.7
283.15265	100.0
290.17291	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	282.2785
Annotation	Dodemorph
Peak:m/z	Relative Intensity
55.05274	1.1
55.05501	14.3
56.05022	1.2
56.58355	0.9
57.03411	6.4
57.07055	1.1
58.06570	4.8
61.03329	0.9
65.08185	1.1
67.05489	16.7
69.07043	14.9
70.06553	5.2
72.07749	1.1
72.08134	31.4
77.20796	1.1
79.05454	7.7
79.32336	1.0
79.70786	0.9
81.07036	17.8
83.08579	2.1
84.08112	5.3
85.08894	16.5
85.34641	1.0
91.05463	2.1
93.07045	9.1
93.07527	1.0
93.98328	1.2
95.08568	14.1
97.10133	1.8
98.09673	14.2
107.08555	4.7
109.10126	6.0
112.11182	1.4
204.23843	1.3
264.26764	67.1
282.27826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23788	0.5
55.01858	0.9
55.05494	0.8
56.60790	0.5
56.96545	1.2
57.03413	3.8
57.07048	0.9
59.04970	1.3
59.17126	0.5
61.02909	5.9
65.29182	0.5
67.05478	3.1
67.20745	0.4
69.03402	5.2
70.06589	0.5
73.02894	0.7
81.03390	3.2
85.02878	17.8
85.06512	100.0
87.04456	0.8
88.07652	0.6
97.02840	5.6
98.97524	4.3
103.07545	58.3
116.98607	2.4
123.04436	0.7
127.03902	3.0
128.98579	0.7
134.99690	0.8
136.06142	2.4
145.04895	1.1
146.99594	0.8
150.07680	3.3
197.01196	1.2
215.02109	0.6
262.51202	0.6
279.07397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	17.5
60.96273	1.5
62.48278	2.0
63.41778	1.8
68.70931	1.7
88.06788	1.9
98.97541	99.7
116.98579	100.0
134.99612	85.5
153.00655	24.4
189.37106	2.3
215.04276	2.0
258.99664	22.1
277.00705	74.8
299.36722	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1191
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
53.03912	0.3
54.81023	0.2
55.01849	0.8
56.96540	0.2
57.03421	4.5
57.07051	1.1
59.04978	1.6
61.02905	1.5
64.80840	0.2
69.03410	5.7
71.01327	0.2
71.04951	0.4
73.02888	0.4
73.19920	0.2
75.04422	0.4
81.03406	0.5
85.02875	7.3
85.06509	2.8
87.04438	1.5
91.03870	0.2
91.49924	0.2
94.04041	0.2
97.02859	2.3
97.25503	0.2
98.97540	0.5
101.05972	1.5
103.07540	7.6
109.02846	0.5
115.03883	0.4
119.03481	1.4
123.07913	0.2
127.03861	1.0
136.06140	100.0
137.04498	0.9
145.04936	1.4
147.06474	0.3
187.96994	0.2
282.11804	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	282.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69405	0.4
53.03498	0.5
53.03922	2.8
54.68629	0.5
55.01846	2.7
56.58679	0.5
57.03417	7.5
57.06830	0.4
57.07057	6.4
59.04977	0.8
61.02601	0.8
61.02904	14.6
69.03033	0.8
69.03405	21.5
71.04965	3.8
73.02892	6.3
81.03392	9.5
83.01285	0.7
83.97226	0.6
85.02876	100.0
85.06512	2.6
87.04440	4.0
91.03910	5.1
92.09354	1.2
97.02856	24.1
99.04397	4.9
103.07536	4.1
109.02853	7.7
127.03871	15.3
145.04919	20.9
146.06462	0.6
149.23166	0.7
163.03891	0.7
163.05957	4.5
171.24567	0.6
180.08612	4.6
191.90689	0.6
202.22441	0.7
232.67500	0.7
247.11710	0.7
299.79926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01856	2.0
55.05482	1.6
55.21263	0.7
57.03415	9.3
57.07044	2.1
59.04965	1.0
61.02904	11.3
66.37571	0.8
67.05482	12.7
67.23346	0.8
67.24689	0.9
69.03040	1.0
69.03403	21.5
69.63690	0.8
71.04954	3.3
73.02890	5.3
73.92442	0.7
81.03381	8.4
81.52206	0.9
85.02872	95.9
85.06512	100.0
87.04424	4.5
87.29953	0.8
91.03904	5.8
97.02856	19.2
99.04404	2.1
103.07536	17.4
109.02872	6.6
113.10823	0.9
115.03901	1.3
127.03863	15.8
130.51488	0.9
136.06131	1.2
145.03856	1.8
145.04919	31.4
152.06810	1.7
163.05975	8.8
183.27756	0.9
229.10596	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	281.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.8
53.03920	1.3
55.01860	0.9
55.05487	3.8
57.03419	1.5
57.07058	100.0
61.02899	4.7
63.04466	44.2
65.45841	0.7
66.31768	0.7
69.03405	10.5
73.02895	1.0
81.03371	3.7
81.05531	1.3
85.02876	33.8
95.04955	1.3
97.02861	6.8
97.99582	1.0
99.04408	1.3
101.09636	1.4
101.58315	0.8
107.55241	0.9
109.02861	3.5
109.06454	0.8
119.10651	42.6
127.03883	1.5
145.04938	1.2
181.04901	0.9
270.60400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2105
Annotation	5-Acetoxynerolidol
Peak:m/z	Relative Intensity
53.03918	1.7
55.01854	1.0
55.05495	26.6
55.05762	1.4
56.96542	1.7
57.07053	9.1
63.80517	0.8
67.05479	26.8
68.22539	0.9
69.03399	11.8
69.06679	1.6
69.07040	37.6
71.04969	1.9
71.08610	1.2
77.35580	1.1
79.05466	19.3
81.07024	72.7
83.04935	4.2
83.08133	1.1
83.08585	17.5
85.02904	1.3
85.06493	5.5
91.05447	13.0
93.07005	100.0
95.04929	6.1
95.08567	50.0
97.06495	25.8
97.10118	2.5
98.97527	6.0
105.06997	18.2
107.08559	46.3
109.06461	2.4
109.10120	32.4
111.08023	6.7
111.11668	6.3
113.09555	1.1
116.98584	4.0
119.08535	13.8
121.06461	7.4
121.10100	24.8
123.11665	56.4
125.05944	6.0
125.09554	1.8
127.03857	1.1
129.05435	4.0
133.10059	13.7
135.07959	1.7
135.11642	5.1
137.13161	1.3
139.07500	67.9
145.10118	1.4
147.11656	15.2
149.02321	1.0
149.09482	1.5
149.13228	9.8
153.09102	11.3
161.13214	6.6
163.14789	2.1
165.16229	1.2
167.10622	4.1
175.14676	1.4
177.00610	1.0
181.12163	1.3
193.12065	2.1
203.17889	22.8
207.13768	1.4
221.18903	26.1
227.17860	1.7
245.18893	2.4
263.19992	10.9
279.71725	1.2
281.20990	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	281.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23471	0.3
55.05496	0.4
56.96542	16.7
56.96808	0.8
57.03410	0.7
61.02896	0.9
64.92279	0.4
69.03404	2.4
71.04956	0.7
71.95226	0.8
73.02886	0.8
80.19671	0.4
83.84533	0.5
85.02875	2.4
92.08727	0.6
97.02859	1.9
98.97541	100.0
100.99173	0.5
103.38573	0.4
105.79160	0.5
107.01775	0.6
108.13748	0.4
109.02895	0.4
110.97488	0.6
112.99078	2.1
116.98574	49.0
119.00144	2.0
119.01830	1.0
124.99084	2.8
127.03889	0.6
128.44019	0.4
128.98547	1.7
130.66341	0.4
131.00121	5.5
134.05978	3.7
134.99606	17.2
135.03258	0.5
136.07463	0.8
137.01192	0.5
140.07007	0.5
143.00111	10.9
143.01837	0.6
146.99606	2.7
149.01158	14.2
149.02264	0.7
150.05432	0.5
152.07031	5.5
153.00603	0.5
155.00119	0.8
158.99603	4.7
161.01161	13.1
161.02507	0.5
167.02190	5.4
170.05132	0.5
173.01138	5.8
174.92160	0.5
177.00650	8.6
179.02200	9.6
191.02209	4.9
197.03256	6.9
209.03209	0.6
215.04190	0.5
221.03192	3.2
239.01843	1.0
239.04280	29.0
257.05350	11.6
281.05319	20.9
281.10825	3.0
299.06558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2628
Annotation	linoleamide
Peak:m/z	Relative Intensity
55.05490	7.9
56.05006	0.8
56.96531	1.1
57.03410	6.1
58.06572	1.4
67.05485	32.0
69.07049	7.7
70.06564	7.1
72.08126	33.4
73.30008	0.9
76.09474	0.9
76.75337	1.0
77.24261	0.9
79.05468	10.0
81.07019	15.6
83.08592	1.3
84.08116	4.7
85.08913	17.3
86.09662	2.0
91.05452	11.0
93.07018	9.7
95.08570	13.6
98.09650	12.7
98.97603	0.9
105.06982	4.5
107.08562	4.5
109.10121	4.3
116.68583	1.0
124.08683	1.0
143.28699	1.0
149.02319	1.0
153.77243	1.0
154.15886	1.8
168.41943	1.0
178.79071	1.0
239.08792	2.1
262.25201	54.8
278.38773	1.0
280.26266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.231
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.86650	1.4
55.01839	2.1
55.05489	22.5
57.03410	2.1
57.07043	7.2
58.18121	1.7
65.03912	2.3
65.41723	1.4
65.62356	1.3
67.05479	99.8
69.07048	21.1
71.04977	5.6
79.05453	23.6
79.77268	1.4
81.07023	100.0
83.08589	12.6
91.05441	14.2
91.36112	1.4
93.06996	29.2
95.04921	1.5
95.08568	82.9
97.06483	9.0
97.10085	4.9
99.08052	1.6
105.06977	12.7
107.08543	17.8
107.94784	1.4
109.06495	1.9
109.10108	29.1
111.08070	2.2
117.07034	2.2
119.08521	11.8
121.02831	6.4
121.10114	14.2
123.11687	7.5
131.08527	5.8
133.10037	2.8
135.11623	8.5
137.13261	2.7
145.10085	5.8
147.11649	7.6
149.02295	71.6
149.13223	2.0
159.11649	1.9
161.13206	7.6
163.14676	2.3
176.89607	1.4
179.14284	1.8
243.21109	5.8
261.22052	5.8
279.23047	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	279.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	35.1
57.07056	22.4
59.04980	13.9
60.08036	1.1
63.06932	1.1
67.05484	17.9
69.07044	100.0
71.04961	1.6
71.11195	1.2
71.88384	1.4
76.55038	1.5
79.05451	6.2
81.07027	45.3
83.08590	27.0
91.05432	3.1
93.07010	25.0
95.08571	53.5
97.06516	4.9
97.10131	6.6
98.97581	1.2
100.33832	1.2
105.07018	1.9
105.81431	1.2
107.08552	16.0
109.10126	22.3
111.08052	2.9
111.11682	7.8
119.71177	1.2
121.02795	2.9
121.10104	13.1
123.11651	13.4
135.11630	10.6
137.13208	10.9
149.02287	86.7
149.13229	11.5
163.14775	1.8
230.33192	1.5
261.25629	8.8
279.26788	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	279.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47307	1.0
53.00282	1.2
55.01846	5.4
55.05491	18.6
55.42293	1.1
56.96537	2.8
57.03417	32.5
57.07052	2.3
59.04971	1.3
60.00109	1.0
61.02905	28.7
65.03912	2.7
69.03407	100.0
71.04957	9.4
73.02888	9.1
81.03392	14.9
81.07014	11.3
83.04948	48.7
85.02875	44.6
87.04427	30.9
91.03915	9.4
97.02880	1.6
98.97521	12.2
99.04416	7.9
111.04412	21.3
115.03886	30.3
116.98607	2.9
117.09071	1.8
120.02491	2.0
121.02812	5.5
124.63644	1.4
129.03044	5.0
129.05429	26.5
138.03571	1.9
147.04347	1.2
147.06497	17.4
149.02298	75.5
165.07545	5.9
177.00598	1.8
204.44504	1.4
261.09631	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	278.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	4.2
55.05495	33.9
56.05011	3.7
57.03408	11.2
57.07051	3.0
63.42669	1.8
65.03896	2.2
67.05483	64.9
69.03410	3.8
69.06724	3.0
69.07045	49.0
70.06571	35.4
71.04960	12.5
74.06072	2.0
74.51993	1.9
79.05463	34.3
79.80789	1.8
81.07024	100.0
83.04958	3.6
83.08597	21.4
83.92917	2.2
84.08103	8.3
85.06512	9.4
91.05450	23.3
93.07011	41.0
94.06544	3.1
95.04935	4.1
95.08566	86.7
96.08104	9.5
97.06490	13.1
97.10117	3.7
97.45617	2.4
98.09684	3.0
99.08044	10.5
105.07004	22.2
107.08570	27.2
109.10127	35.3
110.09627	2.7
111.08034	3.2
119.08541	13.7
121.10098	11.6
123.11652	3.4
125.09593	4.3
133.10094	19.2
135.11659	14.6
136.11143	2.6
141.84862	2.2
142.08560	3.2
145.06505	2.7
147.11685	12.0
149.02293	24.0
149.13210	4.9
150.05394	3.3
151.11084	2.9
153.12747	3.1
163.14627	3.0
189.16327	9.9
206.18948	14.5
207.17365	9.8
224.19983	38.2
225.18460	4.4
242.21083	40.7
260.22113	57.0
278.23166	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22305	0.7
52.71099	0.6
53.03926	4.3
55.01846	1.0
55.05251	0.7
55.05500	21.0
55.09861	0.6
57.07042	3.4
58.59450	0.7
64.32811	0.7
67.05486	30.5
69.07042	15.3
70.12763	0.7
71.04940	1.0
79.05465	74.1
81.03371	0.7
81.06548	1.4
81.07027	26.7
81.89288	0.8
83.04945	1.5
83.08589	4.5
89.43489	0.9
91.05447	29.6
92.97054	0.7
93.07011	100.0
94.31304	0.7
95.04923	10.9
95.08569	19.4
97.06474	1.4
97.10134	1.2
105.04479	0.8
105.06992	12.0
107.08558	32.0
109.06451	3.4
109.10107	7.4
111.08080	1.0
112.19171	0.7
117.06976	3.1
119.08553	7.8
121.10111	24.1
123.11649	0.9
124.08878	0.8
129.06937	1.0
130.49344	0.7
131.08511	3.1
133.10098	7.2
135.11650	24.7
145.10104	1.0
147.11717	1.2
149.13240	8.9
157.09958	0.8
159.11688	1.3
161.13194	1.6
163.14798	1.0
185.13306	1.0
188.79578	0.9
235.16862	1.0
259.20380	1.7
277.21487	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	277.2155
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.00295	1.1
53.03917	1.7
55.05503	11.1
57.07056	12.3
58.07399	8.7
62.06081	1.4
67.05156	1.8
67.05489	46.6
69.07057	8.9
70.06559	19.4
71.06901	7.4
71.08607	1.8
72.08925	1.5
79.05462	44.7
81.07024	39.2
83.08591	5.4
83.36944	1.3
88.07592	17.3
89.07906	11.8
90.08034	5.9
91.05459	15.1
93.07011	59.7
95.04923	2.1
95.08572	24.2
97.06500	1.8
97.10152	2.2
102.09151	1.6
103.09490	5.3
105.07016	10.5
106.08641	3.0
107.08524	25.1
108.09116	1.8
109.06496	2.7
109.10108	3.1
119.08543	6.4
121.10107	47.6
126.50706	1.2
129.07042	1.4
131.08510	5.2
133.10104	5.2
135.11638	42.5
145.10083	1.4
147.11627	1.9
149.13231	9.0
159.11636	4.6
160.77051	1.4
163.11105	1.5
177.12631	1.7
185.13205	1.2
236.03491	1.2
241.19528	1.4
258.26917	6.4
259.20486	4.9
259.27161	1.7
276.27942	100.0
277.21576	46.0
277.28195	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2155
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.00293	0.8
53.03918	3.6
55.01846	1.2
55.05248	0.8
55.05496	20.0
57.07040	2.7
65.03909	1.0
67.05483	30.6
69.03400	0.6
69.06684	0.6
69.07047	13.9
71.04946	2.5
79.05462	75.7
81.07025	30.2
83.08585	5.3
85.06500	0.8
91.05448	34.7
92.09408	1.7
93.07009	100.0
95.04935	10.9
95.08564	19.0
97.06492	1.0
97.10113	2.6
105.04485	2.6
105.06998	13.0
107.08559	39.7
109.06470	1.3
109.10123	10.9
117.06979	2.2
119.08547	9.3
121.10102	29.1
123.11640	1.3
123.48701	0.5
129.06944	1.4
131.08516	3.7
133.10075	9.4
135.11649	30.2
135.12692	1.0
138.06544	0.6
143.08499	1.1
145.10072	2.8
147.11629	5.4
149.13219	9.8
157.09976	0.6
159.11636	0.8
161.13239	2.0
163.14758	2.2
173.13228	0.9
175.14804	0.8
199.14748	0.7
207.13795	1.0
221.15305	1.0
235.16779	2.1
258.91455	0.7
259.20569	1.2
277.21518	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	277.2155
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05494	31.4
56.61662	2.4
57.07049	11.0
66.07717	2.9
67.05479	47.8
69.03398	17.5
69.07040	24.7
71.04970	4.9
79.05463	42.4
79.79855	2.5
81.03378	5.4
81.07021	78.0
83.04945	24.3
83.08585	11.2
85.06507	6.9
87.41971	2.7
91.05444	28.7
93.07011	88.2
95.04919	4.5
95.08569	38.7
97.06519	3.4
105.07000	58.8
107.04926	16.9
107.08556	58.9
109.06483	19.1
109.10114	48.1
111.08016	5.3
113.09599	5.8
117.06989	4.4
119.08534	74.7
121.06486	13.7
121.10100	56.3
122.07301	3.9
123.08010	6.8
123.11655	19.6
125.09621	3.9
131.08514	11.2
133.09097	3.6
133.10081	100.0
135.08055	3.5
135.11647	25.5
137.09567	56.1
139.11136	6.8
145.10092	18.4
147.07973	3.3
147.11630	19.4
149.09714	9.9
149.13222	5.3
151.11113	27.6
157.10086	6.4
159.11647	13.3
161.09583	12.9
161.13187	5.2
163.51172	2.7
165.12611	3.3
171.11568	4.1
175.14754	40.2
185.13246	4.0
189.12755	4.5
193.08607	4.5
199.14766	3.6
201.16318	12.3
203.14291	11.0
217.15663	4.2
241.19452	5.0
259.20486	26.0
276.27902	11.2
277.21533	65.0
277.28134	6.4
288.95569	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2154
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03925	4.3
55.01853	3.1
55.05499	33.2
57.07046	12.7
59.04959	2.8
61.17507	1.7
64.35739	1.9
67.05476	41.3
69.03400	22.8
69.07047	21.0
71.04954	14.4
79.05466	50.6
81.03364	9.8
81.07026	78.5
83.04951	32.2
83.08578	14.6
85.06510	5.0
91.05449	34.5
93.07010	77.2
95.04912	14.6
95.08571	43.3
97.06477	9.0
105.06998	75.0
107.04951	4.1
107.08556	64.1
109.06486	14.5
109.09397	3.8
109.10114	69.6
111.08058	12.6
113.09581	9.1
117.07019	4.5
118.02913	2.1
119.08534	64.0
121.06460	15.3
121.10104	58.6
122.07238	9.0
123.08012	5.5
123.11665	19.6
125.09609	5.1
128.52643	2.3
129.07013	2.3
131.08524	15.1
133.10085	100.0
135.07994	4.7
135.11653	29.9
137.09581	61.9
139.11139	9.3
143.08501	3.2
145.10086	11.6
147.08018	4.9
147.11644	23.6
149.09535	12.4
149.13216	4.6
151.11139	30.9
157.10011	5.3
159.11649	13.6
160.33804	2.2
160.92401	2.7
161.09607	15.4
161.13191	11.4
163.11089	3.0
165.12706	4.1
170.10812	3.6
171.11586	3.5
173.13109	2.4
175.11087	4.2
175.14758	36.7
185.13193	3.7
189.12637	4.2
201.16360	5.4
203.14264	13.5
217.19380	2.7
241.19341	2.5
255.58961	2.2
259.20444	19.0
276.27924	11.6
277.21500	64.9
277.28043	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	277.2156
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05499	47.5
55.59560	6.1
57.07057	5.9
67.05480	34.6
67.66658	5.2
69.03403	32.2
69.07037	27.2
79.05466	46.4
81.07033	86.3
83.04951	29.8
83.08595	6.8
85.06532	9.2
89.64246	6.1
91.05455	28.1
93.07010	84.9
95.08560	47.1
98.16046	6.5
105.07014	66.4
107.08560	58.0
109.06462	15.1
109.10151	52.4
119.08530	72.0
121.06478	12.0
121.10104	48.2
123.08064	6.6
123.11668	13.0
131.08476	6.5
133.10098	100.0
135.11658	32.4
137.09584	44.6
138.48875	7.2
139.11070	6.4
145.10078	12.2
147.11617	27.1
149.02293	12.6
151.11150	38.0
159.11713	10.2
161.09554	9.7
161.13271	8.7
175.11098	9.7
175.14754	39.4
203.14250	9.1
259.20441	12.1
277.21548	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	7.6
55.01852	2.8
55.05494	9.5
57.03417	17.6
61.02892	8.1
65.50117	1.1
67.05479	2.2
69.03404	66.6
69.07035	2.0
70.06553	2.2
71.01337	2.7
71.04962	2.6
73.02896	9.4
78.26150	1.2
79.05428	1.7
81.02953	1.8
81.03387	33.5
81.07011	5.4
83.04930	2.1
85.02870	100.0
87.04432	56.1
87.04939	2.7
91.03909	1.2
93.07012	2.5
95.04924	1.5
95.08523	1.6
97.02849	38.7
97.10125	8.0
98.18024	1.2
99.04412	9.5
101.02317	3.1
103.03892	3.1
109.02861	9.8
115.03887	96.4
115.11169	2.4
123.04414	1.3
127.03866	31.7
133.04913	5.5
145.04929	14.6
146.05939	1.3
147.04385	1.5
157.23064	1.3
163.03868	1.4
168.75412	1.4
240.19522	3.2
258.20621	1.8
259.08066	2.5
259.20770	1.5
277.11652	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1063
Annotation	Pentalenolactone P
Peak:m/z	Relative Intensity
53.00289	1.3
53.03925	2.1
55.01859	1.7
55.05487	2.6
56.96549	1.7
57.03415	1.5
59.36570	1.1
62.38925	1.4
65.03904	2.9
67.05112	1.5
67.05476	45.2
69.03407	13.8
69.07042	1.4
69.65173	1.1
71.04967	2.3
79.05460	2.5
81.03381	3.3
81.07017	2.0
83.08565	1.4
85.02872	14.4
87.04443	8.1
88.56303	1.2
91.05450	5.9
92.08710	2.0
95.04926	100.0
97.02821	4.9
97.06496	6.6
98.97546	2.7
99.04450	1.5
105.06998	5.2
107.04921	1.5
109.02852	2.1
115.03899	9.0
115.05415	6.9
115.84431	1.3
117.06970	2.9
119.08537	2.1
123.04380	10.7
127.03867	6.7
128.06152	1.7
129.06992	2.1
131.04919	2.5
133.06444	5.6
135.04378	3.2
137.05942	5.5
141.06950	3.1
141.10037	1.5
142.07802	1.4
143.04834	1.9
143.08496	10.5
145.04884	1.5
147.04329	3.2
149.05907	2.5
153.06955	2.4
157.10083	6.1
160.05121	32.0
161.05914	65.4
161.09526	1.7
163.03815	12.7
164.04678	1.5
165.05414	7.3
165.06743	1.4
167.08502	13.2
171.07968	5.4
173.02295	2.9
173.05936	5.3
174.06763	2.1
175.07504	5.5
176.04468	2.0
181.06255	1.8
185.06038	1.7
185.09557	6.4
187.07523	1.9
189.09033	53.6
192.08539	1.4
195.07924	17.3
198.06718	1.3
199.07509	2.6
201.09108	1.9
203.10551	2.2
209.04405	7.0
213.09039	14.0
215.06992	14.8
217.08542	12.0
231.10030	5.9
233.08014	3.3
241.08650	2.6
259.09564	43.3
277.10712	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	277.0911
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03926	5.3
54.80263	1.2
55.01851	3.4
55.05485	1.4
57.03418	17.3
61.02898	5.2
64.31863	1.3
67.05476	2.5
69.03033	2.4
69.03397	55.3
71.01343	2.0
71.04961	2.1
71.24474	1.3
73.02892	10.5
81.03381	26.3
81.07037	1.6
84.04462	1.4
85.02869	95.5
86.29971	1.3
87.04433	62.4
91.03899	1.8
93.06982	1.9
95.08527	2.0
97.02852	32.6
97.10097	1.4
99.04433	9.7
101.02349	3.3
103.03889	1.4
109.02841	13.6
109.06462	1.3
115.03071	3.3
115.03884	100.0
127.03861	35.5
131.08505	1.3
133.04930	7.9
133.10086	1.4
141.38530	1.4
144.66808	1.3
145.04916	13.4
176.99904	1.4
227.10840	1.5
240.19646	1.6
258.20523	2.4
259.08026	5.0
287.86920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	10.7
64.90210	0.4
71.95237	0.8
92.08637	0.6
92.56977	0.5
92.62870	0.4
98.97545	100.0
100.97944	0.5
116.98580	75.9
134.99609	37.4
153.00688	5.8
156.48836	0.6
179.00665	1.8
205.02217	0.6
219.01978	0.5
234.99556	0.9
240.98625	2.2
256.53992	0.5
258.96786	0.8
258.99628	23.7
277.00711	67.8
279.00970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	31.2
57.03423	12.0
57.16338	12.1
57.64456	10.4
58.83644	12.2
59.35868	10.2
60.99576	11.9
61.22681	10.8
64.01748	11.2
69.03387	17.0
78.21996	11.0
84.04467	13.0
84.08092	14.1
85.02863	61.4
87.04454	15.6
92.09353	28.5
97.02859	56.1
98.97556	32.2
101.00849	23.0
109.02899	14.6
112.11235	15.0
114.05479	12.3
119.01832	100.0
120.02552	17.0
121.01653	16.6
125.18980	13.1
129.03101	19.1
145.03435	18.0
147.03120	16.1
157.03352	20.5
161.02913	86.1
175.04526	15.3
202.05943	18.5
205.41283	13.4
263.71765	14.1
277.03143	56.4
277.07779	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	276.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
55.05492	15.3
56.05021	9.2
57.03408	4.7
58.06578	59.9
59.04971	2.4
67.05477	23.9
69.03410	1.0
69.07040	13.0
70.06550	5.1
70.13727	0.9
71.07326	4.6
72.08103	6.3
74.02330	1.1
74.54435	1.2
79.05470	12.0
81.07019	28.9
83.08576	5.9
84.08111	38.2
85.06444	1.0
90.40437	1.2
91.05434	2.1
93.07004	17.6
95.08564	24.7
96.08082	2.3
97.10132	4.7
98.09632	6.2
99.08057	1.4
107.01342	1.0
107.08579	7.6
109.10114	12.0
110.09669	2.4
112.11210	2.4
121.10068	7.5
123.11638	1.5
126.12722	1.2
135.11649	7.4
138.12787	1.7
140.57202	1.1
143.14304	1.2
149.13089	1.4
170.15257	1.8
176.30249	1.3
182.18954	2.3
184.16792	1.7
203.15111	1.1
209.18977	1.2
222.22073	47.6
240.23132	59.8
258.24155	39.4
276.25220	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1999
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
55.01841	4.4
55.05276	4.8
55.05494	79.1
56.96529	5.0
57.07043	17.9
59.92427	3.8
67.05500	29.4
69.03393	8.7
69.07040	20.8
70.06570	5.0
71.08599	6.0
79.05475	33.1
81.07029	43.7
82.56596	4.0
83.04927	10.4
83.08576	9.7
88.07583	9.0
91.05459	39.0
93.07005	31.2
95.04931	6.5
95.08570	29.1
105.07001	68.6
106.08643	9.5
107.08575	31.2
109.06439	6.7
109.10101	30.8
110.92223	4.1
116.98592	5.2
117.06984	6.0
119.01926	14.9
119.08557	49.5
121.10099	27.6
123.08044	4.5
131.08522	20.8
133.10088	46.5
135.07962	9.8
135.11597	9.0
137.09579	40.0
143.01828	4.8
145.10083	18.6
147.11633	19.3
149.09517	6.1
149.13202	6.5
155.58821	3.9
161.02888	5.1
163.11095	6.6
173.13277	4.0
175.14665	4.5
178.99207	3.9
187.00763	3.8
191.14162	5.7
204.88377	3.8
233.57391	4.9
274.27292	17.4
275.19922	100.0
275.27625	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	275.1997
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05494	39.8
56.28316	3.8
57.03410	23.4
57.07077	3.5
67.05482	34.0
69.03390	16.8
69.07038	34.0
71.04976	6.5
72.08111	26.4
79.05471	37.1
81.07022	86.1
83.04949	15.9
83.08593	8.1
83.25304	3.3
85.02860	3.6
85.06519	18.7
91.05441	55.6
92.09329	8.0
93.07001	83.5
95.04913	16.7
95.08566	69.6
97.06481	28.1
98.09696	3.9
98.97549	4.3
101.00832	6.4
105.06295	5.9
105.06991	100.0
107.04917	9.4
107.08552	62.8
109.06478	21.7
109.10125	33.4
111.08017	9.1
115.05430	5.0
115.42227	3.5
117.06968	9.3
119.01881	25.9
119.08539	75.5
121.06445	8.9
121.10091	80.8
123.08012	16.9
125.09595	8.0
128.06183	4.4
129.06967	7.3
130.59834	4.7
131.01865	9.6
131.08537	46.1
133.10072	64.6
135.07997	16.7
135.11664	16.1
137.09549	49.7
139.85544	3.5
142.07736	8.6
143.08522	22.8
144.09268	5.4
145.10051	37.9
147.08028	6.9
147.11639	26.0
149.09601	45.8
155.01877	9.7
156.09375	5.4
157.10063	35.8
159.11627	42.2
161.02948	7.1
161.09567	17.7
161.13245	4.4
163.11122	7.0
165.12596	3.8
169.10103	7.6
170.67856	3.8
171.11621	17.4
173.02910	20.9
173.13136	31.3
175.11090	4.6
175.14818	23.2
183.11681	5.9
185.13301	4.8
187.14880	9.5
189.12616	3.8
197.13129	6.4
199.14761	28.0
201.12631	7.2
203.14323	5.4
215.17886	6.4
217.15851	15.1
238.25266	4.2
239.17758	5.9
239.25645	5.3
241.25505	3.7
242.04832	4.1
256.26233	50.4
257.18826	37.3
257.26602	42.5
259.04391	4.3
274.27335	51.3
275.19962	98.9
275.27670	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	275.1999
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.81609	2.0
55.01853	2.0
55.05497	21.3
57.07056	10.0
58.30170	1.8
59.04985	2.3
63.93400	1.9
64.35014	1.9
67.05476	20.3
69.03407	12.8
69.07040	16.8
70.06575	4.1
71.04964	12.8
79.05468	44.3
81.07031	43.8
83.04957	35.2
83.08586	4.9
85.06499	16.2
86.65936	1.9
88.07612	9.6
91.05444	33.3
93.07011	68.5
95.04960	4.9
95.08569	46.4
97.06462	3.6
105.06994	80.7
106.08612	3.6
107.04956	14.7
107.08558	53.4
109.06495	13.6
109.10125	24.4
111.08029	9.8
113.09608	3.8
117.06978	4.8
119.08536	47.2
121.06463	32.3
121.10102	80.2
122.07236	21.2
123.08018	5.0
125.09579	11.0
128.06165	3.8
131.08556	23.1
133.10086	98.7
135.08026	12.3
135.11638	3.3
137.09578	100.0
139.11147	13.1
142.07712	4.2
143.08525	13.0
144.09315	3.7
145.06503	3.7
145.10091	18.0
146.07230	9.9
147.08041	9.2
147.11679	13.9
149.09570	28.7
157.10112	11.1
158.10803	3.3
159.08032	10.3
159.11633	17.7
161.09572	53.6
163.11110	8.9
171.11685	3.5
173.13202	23.9
175.11151	3.5
175.14796	10.1
177.12598	2.2
183.11629	2.4
184.12389	4.5
187.14716	2.4
191.14287	4.5
193.68875	1.9
199.14789	13.0
201.12709	14.5
215.17761	4.4
217.15823	12.0
226.25952	2.0
228.19444	2.4
233.18996	2.5
239.17944	3.2
257.18976	12.3
274.27228	19.6
275.19952	61.4
275.27707	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	275.1999
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.56254	2.3
53.03929	2.6
54.20384	2.4
54.80395	2.5
55.05488	27.3
57.03423	2.5
57.07045	16.2
57.90279	2.0
58.32738	2.5
59.04967	3.1
60.25568	2.6
60.81084	2.3
62.16095	2.1
65.03902	2.2
67.05486	26.2
69.03393	4.8
69.07050	22.4
70.06535	22.8
71.04962	41.0
71.06883	2.5
71.08598	5.2
79.05460	29.3
81.07027	35.2
83.04942	16.1
83.08580	11.5
84.04548	2.8
85.06504	16.5
88.07608	22.7
91.05444	54.1
93.07007	58.8
95.04925	14.2
95.08560	37.5
97.06500	5.7
98.77994	2.4
102.09142	4.6
105.06998	82.2
106.08599	4.5
107.07874	3.5
107.08553	56.1
109.06487	35.1
109.10125	20.2
111.08056	56.0
111.42896	2.8
115.05421	2.9
117.06978	23.0
119.08533	94.6
121.10101	53.4
123.08009	4.0
128.06143	6.2
129.06970	15.2
130.07710	4.5
131.08521	79.1
133.10080	65.8
135.08018	38.0
135.11629	6.0
137.09610	6.4
141.06908	3.6
142.07727	18.4
143.08510	47.2
144.09322	16.1
145.10078	67.0
147.10611	2.8
147.11609	21.7
149.09529	3.7
149.13171	3.2
155.08453	15.3
156.09245	16.0
157.10094	53.8
158.10857	27.4
159.11632	100.0
161.09555	3.1
161.13193	3.2
167.08487	3.9
168.09285	5.8
169.09996	21.8
170.10869	4.7
171.11615	26.0
172.12238	3.0
173.09505	3.4
173.13194	99.4
174.13968	11.2
175.11111	15.5
175.14761	10.3
177.12666	28.3
183.11693	19.1
184.12418	5.6
185.13141	10.4
187.11108	5.6
187.14769	12.7
191.14223	16.3
197.10269	3.5
197.13214	10.9
199.14751	35.0
201.12662	12.2
213.16383	7.6
214.17046	3.2
215.17938	5.7
217.15866	3.8
239.17889	5.4
257.18924	25.0
257.26395	3.1
257.69275	3.0
274.27295	56.2
275.19870	32.8
275.27631	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	275.1998
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.22990	1.3
54.38020	1.3
55.01855	2.0
55.05482	7.1
57.03422	2.6
57.07049	3.6
57.16117	1.3
57.74133	1.4
65.98032	1.4
67.05477	6.8
69.07045	22.9
71.04955	7.1
79.05447	3.7
81.07011	7.6
81.09235	1.3
83.04937	1.8
83.08585	2.8
83.52894	1.6
85.06518	3.5
91.05431	11.4
93.07009	23.4
95.04957	3.0
95.08585	12.6
97.06470	2.5
105.06990	16.6
107.08530	18.1
109.06482	3.9
109.10124	11.0
111.08053	31.6
111.11672	1.8
117.06984	3.8
119.08543	17.0
121.06510	2.9
121.10094	13.9
122.07241	8.7
123.08010	25.6
123.11675	2.2
131.08533	15.7
133.10088	8.1
135.08011	35.5
135.11644	2.8
137.09624	1.9
139.11151	1.7
143.08543	3.8
144.09340	1.9
145.10086	10.0
147.11644	10.4
149.13202	2.2
156.09312	8.6
157.10114	9.7
159.11636	18.2
161.09604	3.1
163.11143	7.2
171.11627	19.3
173.13205	8.2
175.10995	1.9
175.14708	1.7
176.11938	10.3
181.12181	11.8
183.11723	1.8
189.12674	2.3
191.14241	100.0
199.14789	6.6
215.17896	3.0
217.15796	3.9
224.15671	1.6
232.25087	1.9
257.18909	7.9
268.78098	1.6
274.27261	6.5
275.19995	36.6
275.27707	9.4
276.41718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44604	0.7
56.85615	0.6
56.96542	0.9
67.05452	0.8
69.03402	0.7
87.56911	0.8
95.04961	0.9
98.97549	1.2
116.98604	0.9
133.02803	0.7
172.95201	0.9
270.57520	0.7
275.10904	100.0
285.89270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19750	0.7
56.96550	1.2
62.90944	0.9
63.35420	0.9
69.03414	1.1
70.06564	1.7
76.97480	0.8
81.25344	0.9
85.02863	1.0
92.08704	1.0
94.64287	1.0
95.04907	1.2
95.06045	2.2
113.05933	1.7
116.98588	1.8
122.81971	0.9
147.04375	1.2
275.10904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0907
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03923	0.6
54.81607	0.1
55.05500	0.1
57.88049	0.1
61.89220	0.1
61.93929	0.1
67.17950	0.1
74.83250	0.1
75.29949	0.1
75.54485	0.1
79.05453	1.0
84.86762	0.2
85.55856	0.1
88.99895	0.2
95.04942	1.0
98.97531	0.2
100.17451	0.1
105.04486	0.3
107.04922	100.0
109.01373	0.2
121.06451	0.2
123.04385	0.6
127.03865	0.9
141.81310	0.1
145.10060	0.2
149.05934	0.6
151.03867	1.8
159.10367	0.2
159.11618	0.2
166.08289	0.2
169.04907	6.5
174.99962	0.1
231.63728	0.2
275.09036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
60.28876	0.6
64.31999	0.6
66.51686	0.5
67.05479	1.1
68.99775	2.8
74.67652	0.6
75.73597	0.6
77.93542	0.6
79.05454	4.4
81.07008	1.1
91.05459	6.4
91.12637	0.5
92.05151	0.6
92.08801	1.1
92.83699	0.6
93.07003	1.4
95.04924	3.7
98.97524	0.9
103.05465	0.8
105.72749	0.7
107.04919	100.0
109.06489	1.4
119.04897	3.1
121.02802	3.2
121.06451	6.6
123.04381	5.8
135.04369	66.6
136.05138	0.6
137.05916	5.5
145.06430	0.7
147.04443	0.9
151.03844	13.7
163.03845	96.1
165.06938	1.5
168.05658	0.7
181.04901	11.3
182.41272	0.8
185.10690	0.6
211.07330	0.9
229.08559	4.1
238.21503	0.9
239.06958	0.9
257.07980	46.2
275.23901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40160	1.5
55.05470	1.2
61.49108	1.5
64.79614	1.5
65.18667	1.5
67.05479	1.6
69.03403	1.7
69.70180	1.5
80.16497	1.8
83.04921	2.3
95.04964	2.6
95.61433	1.4
97.02908	1.6
98.97587	1.8
101.00847	25.0
119.01884	100.0
121.02837	11.5
127.02386	9.2
137.02925	28.6
140.61023	1.6
143.01868	3.3
145.03424	71.9
147.05060	1.6
154.94121	3.9
157.03403	18.4
161.02914	8.2
163.04445	6.3
169.03426	47.7
169.04755	3.1
171.01369	1.9
171.05026	12.6
172.95213	11.1
175.04485	6.6
183.05064	1.6
185.02927	30.0
185.06534	2.2
187.04469	86.9
189.05902	2.7
190.74440	1.7
190.96286	2.5
195.05020	6.7
197.02898	17.7
203.03943	9.6
205.05511	15.7
211.04373	2.4
213.06032	2.8
215.03955	20.5
229.05464	23.0
231.03455	3.1
247.06596	17.4
257.04950	3.5
275.03378	2.2
275.06009	62.2
293.07147	19.7
294.16876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
53.91470	0.5
55.01852	0.7
56.96551	6.9
57.03405	1.1
58.99846	3.5
61.02897	1.3
61.12828	0.4
67.05481	0.5
69.03394	5.0
69.44730	0.5
70.06549	3.0
71.01308	0.6
71.04964	5.8
73.02881	0.8
74.52672	0.4
75.33919	0.4
75.83604	0.4
77.00882	1.1
81.03384	2.3
82.99814	0.7
83.04976	0.7
84.04465	0.7
84.08100	1.1
85.02870	6.1
86.03197	0.6
86.06033	0.7
91.23655	0.5
95.01867	0.6
95.02429	0.6
95.04939	5.9
95.06049	6.5
96.04444	0.8
97.02875	3.6
98.05981	0.6
98.97546	5.3
99.04437	0.6
100.02208	1.1
101.00839	12.3
103.02384	4.1
108.04438	0.8
109.02859	0.7
110.06001	1.0
111.06348	0.8
112.03979	0.9
113.02322	11.8
113.03448	6.1
113.05966	4.1
113.07098	10.5
114.05486	1.8
115.02379	0.9
116.98559	5.7
117.03947	7.9
119.01875	100.0
120.01890	0.8
121.03436	3.5
125.07076	3.8
126.09069	0.6
127.02351	2.1
127.03880	2.1
128.10623	0.6
131.00159	0.6
131.01782	0.8
133.03415	3.3
134.99615	3.6
135.04988	6.8
137.02914	52.2
141.03876	0.9
143.00169	1.1
143.01863	3.0
143.08063	0.6
144.99782	1.9
145.03416	34.9
146.03647	0.9
147.01360	2.5
157.03406	1.1
157.46762	0.6
159.04970	21.8
161.01175	2.3
161.02878	7.1
162.03020	0.6
162.99167	0.8
163.00761	0.9
163.04459	15.5
164.04668	0.5
165.02402	0.8
169.03378	1.0
171.01344	3.0
172.95215	0.9
172.99269	0.9
175.04402	0.5
177.06029	10.5
179.02316	0.6
179.03958	1.1
182.98273	0.5
185.02879	3.8
185.04291	1.3
187.04451	9.6
189.02393	9.2
190.02618	0.5
191.00278	0.9
203.03957	7.1
205.00165	0.6
205.01892	1.1
205.05487	4.7
207.03447	5.8
213.02353	3.5
213.04175	0.8
215.00114	0.7
221.04942	0.9
231.03387	6.0
233.01332	3.0
251.02351	4.9
275.02353	5.9
275.06964	2.6
275.12241	1.2
293.03339	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	274.2733
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
53.98119	0.6
55.05497	8.9
57.03416	6.8
57.07045	0.9
58.06572	6.5
67.05473	7.2
69.07036	6.7
70.06548	3.6
71.07346	0.7
72.07737	1.1
72.08124	26.3
72.93320	0.6
81.07019	10.8
83.08567	1.4
84.08103	3.4
85.08900	8.0
86.09651	5.5
95.08560	7.0
97.10133	1.0
98.09646	4.9
109.10132	2.9
112.16032	0.7
238.25168	6.0
256.23416	0.9
256.26257	92.3
274.27307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.5
57.03418	7.5
57.07045	1.4
58.06583	6.6
58.06833	1.0
66.03323	0.7
67.05482	10.0
69.07044	9.9
70.06561	1.5
71.08659	0.8
72.07740	1.0
72.08127	28.5
75.50774	0.7
81.07024	11.3
83.08585	3.4
84.08110	5.4
85.08881	5.4
86.09674	4.4
87.94908	0.7
93.06997	0.8
95.08582	10.1
97.10126	1.5
98.09647	7.9
109.10117	5.4
123.11729	1.0
238.25224	13.1
256.26242	89.3
274.27298	100.0
299.68198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38934	0.5
55.05492	8.5
56.05008	0.6
57.03420	6.5
57.07057	1.1
58.06577	8.2
62.33476	0.5
64.32855	0.7
67.05476	6.0
67.95078	0.6
68.89886	0.6
69.07036	7.7
70.06568	2.7
71.07339	1.1
72.08121	28.7
80.54469	0.6
81.07021	10.8
82.30985	0.7
83.08580	4.0
84.08110	3.8
84.99519	0.6
85.06516	0.6
85.08904	7.6
86.09667	5.7
92.09298	1.3
95.08570	8.2
97.10104	1.2
98.09650	4.1
102.56580	0.6
109.10106	4.5
123.11636	0.8
140.84412	0.7
152.84601	0.6
232.35477	0.8
238.25049	4.5
256.26242	99.2
274.27298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2205
Annotation	androstenone
Peak:m/z	Relative Intensity
53.98045	1.8
55.05488	10.7
57.07045	3.9
67.05466	13.4
69.07031	10.0
71.04955	25.5
79.05447	11.2
81.07026	64.9
83.08584	3.5
84.99232	1.9
85.06521	3.9
91.05427	13.3
93.07004	41.5
95.04907	3.5
95.08572	36.5
97.10120	3.6
98.08740	2.1
105.06996	59.6
107.08566	34.7
109.06499	9.4
109.09489	2.2
109.10123	20.8
109.76692	1.9
111.08049	23.6
113.09596	2.7
117.06976	11.2
119.08540	100.0
119.09406	3.6
121.10104	37.9
123.11648	19.5
131.08510	26.4
131.92427	2.2
133.10088	21.4
135.11647	5.4
137.09543	2.1
142.07721	4.5
143.08551	17.2
145.10080	30.1
147.11630	16.6
149.13220	10.0
151.11172	2.5
157.10078	24.8
159.11635	81.6
161.13200	22.6
171.11641	14.6
173.13167	31.2
175.14745	11.3
177.12729	10.5
184.30191	2.3
185.13127	10.7
187.14728	9.9
189.16318	4.0
199.14742	20.0
213.16370	12.4
215.17848	66.0
217.15858	2.8
229.19470	9.0
255.21007	50.7
273.22000	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	273.2569
Annotation	beta-Springene
Peak:m/z	Relative Intensity
50.55902	2.0
55.05494	24.8
56.43096	2.4
57.07049	5.8
67.05473	36.6
67.64991	3.1
69.06740	2.7
69.07046	47.2
70.85126	2.3
74.23529	2.6
79.05464	23.1
81.07034	100.0
83.08578	13.5
91.05425	13.6
92.09389	6.2
93.07002	49.1
93.16978	2.6
95.08574	99.8
105.06496	2.4
105.07008	38.7
107.07891	4.1
107.08562	68.2
109.10123	59.7
111.11650	2.7
119.08560	31.6
121.10086	65.1
123.11637	40.1
133.10086	19.8
135.11655	31.4
137.13219	4.5
137.58746	2.6
147.11636	16.6
149.13203	38.3
161.13203	30.1
163.14732	28.3
175.14766	12.8
177.16220	6.5
189.16280	13.1
203.17906	14.5
217.19421	21.4
273.25650	41.4
280.66980	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	4.0
53.34595	2.4
54.36430	1.9
55.01841	3.4
55.05490	20.0
56.96523	2.7
57.03404	11.5
57.07049	2.7
59.04971	2.4
62.82071	2.2
67.05488	22.2
69.03400	38.9
69.07035	14.9
71.04967	62.3
78.00707	2.4
79.05453	18.0
81.07023	100.0
83.04942	5.1
85.06501	2.5
91.05430	20.1
93.06997	37.6
95.04915	13.1
95.08591	18.6
96.24716	2.8
97.06493	9.6
99.00793	4.0
99.08046	16.1
105.06989	53.4
107.08559	34.5
109.06494	34.1
109.10123	31.8
117.06929	4.7
119.08536	23.7
121.10114	12.0
121.83156	2.5
123.07980	10.7
123.11652	20.0
125.09595	12.6
127.07491	3.0
127.11149	56.7
131.08499	11.2
133.10091	59.1
135.11647	4.3
137.02374	7.5
139.11078	2.6
143.10641	10.4
145.10077	15.4
147.11676	10.3
149.13222	2.5
151.11156	59.8
153.05385	5.5
155.10614	22.3
159.11617	10.2
161.13150	2.9
173.13113	3.4
201.16296	9.1
219.17331	10.9
237.18440	35.8
273.03806	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	273.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81250	3.8
55.05489	51.3
56.96548	52.0
57.03398	3.9
57.07040	16.3
58.06564	3.7
60.70007	3.2
67.05482	44.9
69.06679	4.4
69.07036	90.6
70.06567	4.5
71.04945	4.8
71.08592	4.5
79.05455	18.9
81.07018	79.6
81.38188	3.1
83.08600	31.0
85.02864	3.5
87.68385	3.1
91.05450	18.6
93.07011	48.7
95.08566	95.4
97.02863	4.0
97.06475	4.8
97.10123	8.0
98.97542	100.0
99.08091	4.1
105.06987	37.1
107.08566	52.7
109.10116	45.8
110.97568	4.5
116.98579	74.0
119.08547	22.4
121.10098	27.3
123.11666	20.3
128.98564	14.1
133.10048	38.1
134.99585	16.4
135.11650	18.5
135.28342	3.7
142.08232	6.4
146.99580	7.6
147.11632	13.4
149.08980	7.0
149.13237	13.8
151.08791	31.1
158.09546	14.4
158.99600	14.8
159.03299	3.5
161.01132	3.9
161.13216	6.1
163.14799	7.6
165.16322	4.1
168.11589	20.6
170.99599	4.0
174.11600	18.0
177.00607	23.1
177.12137	59.3
177.62265	14.3
179.76285	3.4
183.12111	25.7
186.12622	17.6
189.16251	3.9
192.12718	13.2
217.19388	4.3
219.01418	4.9
249.14232	15.5
254.24704	47.6
255.25027	30.6
272.25821	27.0
273.15189	27.3
273.25793	51.4
273.65363	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	273.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81250	3.8
55.05489	51.3
56.96548	52.0
57.03398	3.9
57.07040	16.3
58.06564	3.7
60.70007	3.2
67.05482	44.9
69.06679	4.4
69.07036	90.6
70.06567	4.5
71.04945	4.8
71.08592	4.5
79.05455	18.9
81.07018	79.6
81.38188	3.1
83.08600	31.0
85.02864	3.5
87.68385	3.1
91.05450	18.6
93.07011	48.7
95.08566	95.4
97.02863	4.0
97.06475	4.8
97.10123	8.0
98.97542	100.0
99.08091	4.1
105.06987	37.1
107.08566	52.7
109.10116	45.8
110.97568	4.5
116.98579	74.0
119.08547	22.4
121.10098	27.3
123.11666	20.3
128.98564	14.1
133.10048	38.1
134.99585	16.4
135.11650	18.5
135.28342	3.7
142.08232	6.4
146.99580	7.6
147.11632	13.4
149.08980	7.0
149.13237	13.8
151.08791	31.1
158.09546	14.4
158.99600	14.8
159.03299	3.5
161.01132	3.9
161.13216	6.1
163.14799	7.6
165.16322	4.1
168.11589	20.6
170.99599	4.0
174.11600	18.0
177.00607	23.1
177.12137	59.3
177.62265	14.3
179.76285	3.4
183.12111	25.7
186.12622	17.6
189.16251	3.9
192.12718	13.2
217.19388	4.3
219.01418	4.9
249.14232	15.5
254.24704	47.6
255.25027	30.6
272.25821	27.0
273.15189	27.3
273.25793	51.4
273.65363	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	272.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.7
55.05497	39.5
56.05006	10.9
56.27751	1.9
57.03419	8.2
57.07042	8.8
58.29877	1.8
61.95110	2.1
64.48526	1.9
66.16821	1.9
66.30061	1.8
67.05483	76.8
69.07038	28.0
70.06567	41.9
70.50134	2.0
72.08135	8.0
78.03194	2.1
79.05453	29.3
81.07028	89.5
83.08586	10.2
84.08106	13.3
90.14666	2.0
91.05431	10.1
93.07000	39.8
95.08571	75.7
96.08109	2.7
97.10115	8.0
98.97555	10.6
105.06965	2.9
107.08544	26.9
109.10112	33.7
116.98618	4.7
119.08604	2.3
121.10115	16.2
123.11645	10.2
129.88222	2.0
131.00084	2.4
135.11638	15.2
137.13287	2.3
149.13219	8.4
150.01309	1.8
154.15820	4.0
177.00633	2.2
219.20918	3.2
236.23648	57.5
253.84537	2.0
254.22266	3.3
254.24680	69.2
268.72226	1.9
272.25735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05277	0.6
55.05500	9.8
56.33533	0.4
57.07060	6.0
58.06585	28.0
62.06065	0.6
69.07047	8.3
71.07333	1.1
71.08588	2.4
72.08118	10.0
78.21887	0.5
83.08592	4.3
84.08115	2.3
97.10120	2.2
99.24092	0.6
104.36945	0.5
107.64970	0.5
254.28325	100.0
260.41110	0.7
272.29379	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2578
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
55.05487	26.5
56.05014	8.9
57.03418	4.0
57.07052	3.6
67.05478	77.7
69.07042	24.3
70.06564	41.9
72.08113	3.4
79.05456	20.7
81.07024	82.7
83.08585	10.6
84.08105	11.1
85.06488	2.5
91.05448	2.4
93.07024	25.9
95.08562	77.5
97.10104	3.0
107.08567	12.8
109.10102	34.7
121.10098	4.7
123.11664	10.4
135.11632	2.7
179.00598	2.0
236.23692	12.8
254.24681	82.4
254.27173	4.2
272.25754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2578
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
53.03917	1.5
54.14804	1.3
55.01859	1.6
55.05248	2.0
55.05496	46.3
55.69641	1.2
56.96511	1.4
57.03421	3.1
57.07053	21.8
58.06583	17.8
59.04979	2.0
60.40850	1.1
67.05482	68.7
69.06677	2.2
69.07043	53.6
70.06559	6.7
71.02750	1.6
71.04947	2.7
71.08599	7.8
72.04488	2.0
74.06032	2.7
79.05453	15.7
81.07029	51.6
82.06562	11.5
83.04932	3.3
83.08585	26.6
84.08124	1.9
85.06505	2.1
85.10148	2.7
86.05974	1.4
91.05412	2.1
93.07016	24.9
95.08569	74.6
96.08082	3.1
97.06498	9.7
97.10136	15.9
100.07580	8.0
107.08564	12.6
109.10128	30.6
110.09622	2.9
111.08069	1.9
111.11693	3.1
121.10109	15.3
123.11648	7.5
124.11178	2.3
125.09568	2.4
135.11656	11.3
138.12718	3.2
149.13223	2.0
152.14291	7.4
166.15901	2.0
179.17851	2.3
191.17841	5.8
191.41910	1.6
208.20515	11.1
218.18968	1.6
226.21458	1.6
236.23643	26.9
254.21039	55.1
254.24599	11.1
265.00180	1.4
272.25729	100.0
272.28708	3.3
288.90656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2578
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
53.03910	0.8
55.05496	9.3
55.05717	1.4
57.03415	7.5
58.06574	3.7
60.59422	0.8
67.05481	16.3
69.07050	9.3
70.06553	5.0
72.08126	40.8
75.26354	0.8
79.05453	4.9
81.07017	17.9
83.08576	2.1
83.93003	0.9
84.08110	7.6
85.06496	1.7
85.08895	12.3
86.09674	1.7
91.05417	1.7
93.07021	9.3
95.08566	17.8
95.80337	0.9
97.10122	1.4
98.09642	12.6
98.97557	2.1
107.08547	4.3
109.10110	5.7
112.11187	1.1
121.10091	1.4
135.11671	1.0
194.40446	1.1
196.47675	0.9
203.06956	0.9
236.23627	3.9
254.24689	64.6
262.04034	1.0
272.25732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.2
53.03921	0.8
54.96029	0.2
55.01857	1.4
55.05493	0.2
56.96548	20.0
57.03416	3.7
59.04984	0.4
61.02605	0.2
61.02902	4.3
64.32378	0.2
65.00616	0.2
65.03912	3.5
67.05468	0.8
68.99749	0.3
69.03403	8.6
70.06561	1.4
71.01327	1.1
71.04961	2.0
73.02891	3.1
74.97578	1.2
75.04441	1.2
80.04970	0.8
81.03370	2.6
82.06548	0.3
83.01311	0.2
83.04948	0.7
84.96006	6.7
85.02875	14.3
86.03188	0.3
87.04435	1.7
89.31390	0.2
91.03933	0.9
91.63255	0.2
92.04967	46.0
92.56547	0.2
93.05746	5.0
94.06528	7.7
95.00733	0.3
95.04952	0.3
96.01486	0.2
97.02843	6.2
98.01237	0.2
98.03365	0.2
98.97546	3.9
99.02024	0.2
99.04401	0.9
100.99120	0.2
101.00811	0.2
101.02345	0.9
102.02359	0.2
102.97023	1.1
103.03910	1.1
106.02841	0.2
106.06523	0.4
107.01794	0.2
108.04451	0.4
109.02935	1.5
110.01215	0.3
110.06005	100.0
110.97521	0.6
111.00745	0.3
111.02044	0.3
111.05545	0.2
112.99099	0.4
113.02366	0.4
114.77904	0.2
115.00623	1.3
115.02384	0.2
115.03877	1.0
116.98566	3.3
117.01862	0.3
119.00156	0.3
119.01868	2.2
120.98056	0.4
121.01620	0.3
121.03344	0.2
124.53724	0.2
124.99059	2.8
126.97028	0.2
127.03908	2.2
128.02286	0.3
128.98544	0.8
129.01945	0.2
129.03029	0.2
131.00130	0.9
131.01833	0.9
131.03354	0.3
133.01686	1.5
133.03357	1.6
134.02214	0.2
134.99609	2.4
137.02940	0.2
139.02576	0.2
140.98573	0.7
143.00122	7.7
143.01778	0.3
143.03326	0.3
144.98032	1.4
145.01633	0.2
145.03448	1.2
145.04907	1.0
146.99594	0.7
147.05002	0.3
149.01201	0.9
149.02977	0.2
151.02638	0.2
152.07043	1.8
153.00621	0.7
157.03407	1.1
158.03476	0.2
158.99606	2.2
159.02943	0.8
161.01164	16.2
162.99088	2.6
163.02724	0.7
163.04300	0.5
164.08147	0.7
168.98024	0.7
169.04346	0.7
170.99706	0.2
171.02846	0.2
173.01093	0.3
173.02876	0.3
174.99080	0.3
175.02953	0.2
175.04413	1.3
177.00662	3.6
178.04861	0.9
179.02216	3.8
181.00140	1.2
181.03799	0.2
184.02869	0.2
185.01250	0.2
185.04036	0.4
185.92644	0.2
186.99098	2.1
187.04378	0.3
189.00685	0.3
189.04076	0.7
191.02211	0.2
195.01590	0.3
201.00603	0.2
203.02141	0.2
205.00139	4.2
205.03493	0.2
206.97958	0.3
212.09244	0.3
219.01721	0.4
221.03156	0.2
221.05060	0.3
223.01186	4.6
223.06694	0.2
229.01779	0.4
237.02721	0.3
241.02231	0.4
248.99130	2.9
254.10130	1.1
267.00131	3.3
272.00385	0.2
272.11176	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	271.2413
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03925	1.8
55.05495	20.0
57.07053	6.5
61.49321	1.3
67.05481	34.0
67.24913	1.2
69.06678	1.9
69.07040	41.3
71.04980	1.7
79.05463	14.3
81.07024	71.0
83.08597	12.7
91.05428	15.8
93.07013	36.3
95.08574	53.3
97.10124	10.2
105.06995	47.7
107.08556	49.6
107.54164	1.3
109.10118	42.9
115.67458	1.3
117.06988	6.7
119.08539	63.3
121.10115	32.7
123.11664	25.4
131.08517	21.0
133.10095	38.1
135.11649	21.5
137.13182	2.3
144.09267	1.8
145.10062	30.5
147.11650	52.1
149.13222	19.8
159.11638	32.9
161.13188	25.5
163.14731	11.8
173.13205	18.4
175.14771	17.5
183.70782	1.4
187.14745	14.7
189.16345	13.8
201.16309	21.3
203.18056	2.1
215.17886	25.2
229.19321	2.8
243.21123	1.5
271.24118	100.0
288.90561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.1
53.03940	1.3
55.01856	1.4
55.05494	75.5
56.96535	4.2
57.03413	2.0
57.07056	13.8
59.04978	0.9
65.29892	0.8
67.05480	56.2
69.03421	0.9
69.07042	100.0
71.04953	6.1
71.08607	5.0
75.86167	0.8
79.05462	22.0
81.07026	76.8
83.04968	5.2
83.08589	50.6
84.85189	1.0
85.02897	1.2
85.06511	7.5
91.05447	20.9
93.07012	35.1
95.04928	1.1
95.08570	69.9
97.06485	12.4
97.10130	39.4
98.97553	4.7
99.08044	2.3
101.05930	1.2
105.07002	22.9
107.08556	25.5
107.09232	1.8
109.02824	1.0
109.06502	1.4
109.10121	31.3
111.08056	3.7
111.11704	11.9
111.57862	0.9
116.98589	1.7
119.08541	21.1
121.09262	1.8
121.10094	24.7
123.07994	1.7
123.11642	11.8
125.09590	1.6
125.13242	4.7
127.07481	1.0
127.11149	1.1
131.08495	0.9
133.10095	21.1
135.11650	21.6
137.09595	2.2
137.13216	6.3
139.11147	4.0
141.09178	1.0
145.10156	1.9
147.11624	15.3
149.13242	5.4
151.11159	4.3
151.14760	3.8
153.12675	4.7
159.11656	1.8
161.13205	14.0
165.12724	4.4
165.60538	1.0
173.13254	1.6
175.14807	4.9
179.14185	2.0
182.11223	0.9
191.11905	3.9
193.19463	2.0
201.13138	0.9
208.93144	1.1
217.19463	21.4
235.20441	16.6
253.21529	7.6
271.24130	6.3
271.26804	0.9
272.14487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2049
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05495	16.3
57.07048	20.8
57.33823	2.0
58.02936	10.4
67.05480	26.7
69.03398	2.6
69.07040	21.8
71.04966	4.8
71.08594	4.1
79.05453	17.7
81.07027	32.4
88.07610	4.5
90.84506	2.3
91.05445	37.9
93.07012	40.4
95.04966	5.4
95.08571	64.5
96.93458	2.3
97.06474	3.3
102.09141	16.7
105.06987	63.6
107.08562	46.3
109.06487	5.5
109.10131	26.7
111.08025	3.4
116.10679	3.1
117.06987	10.0
119.08537	64.2
119.09307	4.2
121.10095	78.5
123.07996	10.3
123.11652	28.5
129.06955	9.8
131.08533	55.3
133.10080	41.6
135.07997	11.1
135.11678	5.6
143.08531	4.8
144.09206	2.4
145.10054	24.8
147.11674	26.3
149.09572	20.8
156.09329	2.7
157.10092	16.2
159.08058	2.6
159.11626	26.9
161.13162	3.5
167.08504	5.3
169.10149	3.0
171.11623	4.6
173.09541	2.9
173.13193	12.8
174.13855	3.4
175.14742	10.0
185.13109	2.7
197.13168	12.7
215.14211	5.3
225.63791	2.6
270.27811	38.9
271.20471	12.5
271.28156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1897
Annotation	Fercoperol
Peak:m/z	Relative Intensity
53.67410	1.4
55.01845	5.1
55.05244	2.5
55.05495	49.7
57.03147	2.0
57.03417	37.8
57.65153	1.2
58.87293	1.1
59.55043	1.0
61.50711	1.2
65.03915	2.4
66.80796	1.2
67.05479	73.9
69.03407	2.3
69.07037	35.9
71.04961	12.1
79.05454	22.6
81.07022	100.0
83.04930	2.4
83.08587	17.4
85.02860	1.3
85.06498	8.9
86.29027	1.2
89.60297	1.1
91.05442	25.2
91.52872	1.2
92.27218	1.2
93.06996	25.4
95.04923	5.9
95.08566	98.6
97.06484	12.8
97.10113	1.6
98.97554	5.6
99.08042	2.3
105.06991	15.9
107.08577	11.9
109.06472	2.9
109.10121	14.0
111.08044	2.3
119.08543	17.4
121.10110	6.1
123.07996	3.0
127.25399	1.4
128.36150	1.2
133.10088	10.3
135.11617	6.2
137.09572	2.1
137.13251	2.2
147.11646	1.6
153.12663	1.6
159.11601	2.2
161.13170	14.5
179.14162	9.8
212.88666	1.4
253.17859	1.9
271.18927	57.2
271.24023	1.8
293.43829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.3
55.01840	1.3
55.05483	7.2
57.07034	1.0
65.48109	0.9
67.05478	8.5
69.03392	1.5
69.07043	12.2
70.06565	88.5
71.04955	6.4
79.05471	11.4
81.07024	22.3
82.82041	0.9
83.04938	11.2
83.08595	2.8
85.06502	2.6
86.09167	2.2
86.09673	62.8
91.05428	7.5
93.06999	28.7
95.04916	10.1
95.08569	18.4
97.06487	12.3
99.04418	9.1
105.06993	18.7
107.08556	16.0
109.06480	13.7
109.10106	4.3
110.75499	1.1
111.08013	4.5
116.07047	100.0
117.06947	1.4
119.08535	12.5
121.05613	1.6
121.06456	29.5
121.10130	2.5
123.07988	1.9
123.11613	2.3
125.05944	7.1
127.07538	2.4
128.10666	27.6
129.06946	1.5
133.10078	8.6
135.04356	1.2
135.07997	5.8
137.09593	1.2
139.07504	6.5
143.06949	2.0
143.08580	1.9
145.10077	4.8
147.07973	1.3
147.11650	22.3
157.08653	1.6
157.10078	5.0
159.06413	2.1
161.13225	2.2
164.45012	1.2
165.06911	1.3
165.12679	5.2
171.11624	6.8
175.11055	9.1
183.58228	1.2
189.12657	6.8
193.12195	7.3
199.11081	9.6
207.13643	4.7
211.13249	2.4
217.12161	22.8
235.13220	15.7
253.14334	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	271.1896
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
53.03937	2.0
55.05490	15.5
57.07055	4.3
59.04980	3.2
65.03901	2.6
67.05483	59.6
69.03422	2.6
69.07043	32.8
71.04966	43.3
73.06512	8.5
78.20168	2.1
79.05453	16.4
81.07022	72.7
83.04946	4.7
83.08596	8.0
89.06016	3.4
91.05437	17.2
93.07008	67.5
95.04926	49.0
95.08569	27.3
97.06487	3.9
98.97574	2.9
105.06999	46.8
107.08561	100.0
109.06512	11.1
109.10120	70.6
111.08040	23.0
119.08532	49.9
121.06493	2.6
121.10091	33.6
123.11681	2.5
125.09605	32.5
127.11167	2.4
131.08516	13.4
133.10091	20.3
135.08052	2.3
135.11655	48.8
143.08476	2.6
145.10078	27.4
147.08000	4.0
147.11646	60.3
153.12704	35.5
157.10078	5.0
159.11642	8.6
161.09543	3.1
163.11127	3.4
165.12726	8.5
171.91002	2.1
173.13206	2.8
175.11134	4.1
189.16312	18.4
191.18044	2.9
207.17294	3.3
217.15820	19.5
235.16841	20.8
253.17937	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	270.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.6
56.05006	6.0
57.03414	5.1
57.07049	6.3
58.06583	57.2
60.20921	1.1
67.05483	27.6
69.07042	20.2
70.06544	4.6
71.07355	10.5
71.08614	1.7
72.04469	2.4
72.08109	5.7
79.05457	2.2
81.07030	20.5
83.08588	11.2
84.08115	40.6
91.05457	11.1
92.05788	6.9
95.08580	19.4
97.10126	7.4
98.09648	5.9
109.10114	6.9
114.09548	1.1
145.00177	1.2
146.12286	1.1
156.17421	2.0
170.18977	1.9
225.25894	1.2
243.26108	1.3
252.26770	100.0
270.27811	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0591
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.96537	0.9
63.17073	0.2
63.78204	0.2
67.01835	2.2
67.05463	0.4
68.99755	1.1
72.21556	0.2
79.05434	0.3
81.06987	0.4
84.51374	0.2
86.72610	0.2
91.05444	2.2
93.06992	0.5
95.04937	0.2
95.08551	0.2
95.09872	0.3
97.06471	0.3
107.08565	0.4
119.04892	7.2
120.93714	0.2
121.02804	2.3
121.10135	0.3
129.01775	0.3
131.04861	0.3
137.09564	0.5
145.02788	2.0
147.11700	0.3
149.09541	0.4
153.01775	14.6
163.03889	1.9
165.06970	0.3
167.06963	0.3
169.06458	0.3
171.02759	1.8
187.03738	0.3
197.05873	0.4
203.07027	0.3
224.51683	0.3
225.05273	0.5
229.04897	1.0
243.06288	0.5
257.08374	0.3
271.05896	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53619	1.5
53.03920	2.4
55.05497	34.3
56.05016	10.3
56.96551	1.9
57.03425	6.3
58.06579	2.0
64.32365	1.8
67.05482	100.0
68.06030	1.6
69.07044	15.8
69.88092	1.8
70.06570	39.4
71.04977	4.5
75.63581	1.5
77.28820	1.6
79.05462	60.3
81.06549	3.2
81.07027	86.5
82.06544	3.1
83.08595	8.9
84.08114	7.2
85.02890	2.4
85.06497	3.1
91.05441	36.1
93.07010	68.2
95.08570	59.4
96.08099	4.5
97.02883	1.8
97.10072	1.7
98.97555	32.1
105.04451	1.9
105.07004	29.9
107.08568	35.6
109.10136	22.4
110.09637	3.6
112.11241	2.7
116.98559	14.0
117.93694	1.6
119.08527	19.4
121.10113	17.8
123.11654	2.0
124.11172	8.3
133.10069	15.3
134.99602	1.9
135.11650	19.0
147.11662	11.0
149.13179	2.7
158.99588	11.8
161.13219	4.1
177.00655	9.6
178.15755	2.8
217.19534	2.1
220.10358	9.4
229.10789	3.7
234.22145	12.4
252.23154	56.3
260.67020	1.8
268.97803	1.8
270.24194	83.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.6
55.05478	15.8
56.05008	5.2
56.96539	4.3
57.03402	4.2
58.06586	3.1
67.05488	24.2
69.07030	10.8
70.06567	55.1
71.04945	3.2
71.08602	100.0
79.05466	53.4
81.07017	49.8
83.04928	3.8
83.08591	4.0
84.08121	5.7
87.06258	2.4
91.05462	19.5
91.50039	2.6
93.07005	73.4
95.04952	4.8
95.08579	22.7
98.97517	11.5
99.08050	57.8
105.07011	25.1
107.08576	11.4
109.10106	11.5
116.98602	6.2
119.08528	16.0
121.10097	73.2
123.11655	3.1
127.11130	2.9
133.10109	5.9
135.11612	3.8
138.12708	3.3
139.11064	5.0
145.10010	2.7
147.11627	12.4
156.13725	3.2
174.46089	2.4
213.00534	2.7
217.19530	10.8
234.22005	3.4
252.23116	79.5
270.24213	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88126	1.4
53.03917	2.3
55.05493	35.0
56.05009	11.3
56.96544	3.6
57.03407	11.6
57.07045	2.9
58.06569	2.3
63.67805	1.8
65.03891	3.7
65.68568	1.6
67.05479	100.0
68.16003	1.5
69.07027	25.2
70.06562	50.6
71.04948	3.9
79.05459	64.8
81.07019	99.4
82.06554	7.6
82.07348	2.0
83.08581	9.8
84.08100	10.5
84.12359	1.8
84.95975	2.1
85.06502	7.3
91.05445	41.3
93.07001	72.2
95.04935	3.7
95.08567	70.2
96.08073	7.3
97.02870	2.6
97.10100	2.5
98.09633	2.1
98.97544	40.5
99.08032	2.5
105.06998	37.6
107.07867	3.1
107.08557	47.1
109.06493	2.0
109.10114	25.1
110.09629	4.1
111.07982	1.9
112.11211	2.1
116.98582	22.1
119.08537	24.0
121.10106	27.0
123.11626	2.6
124.11191	8.6
133.10042	14.5
134.99593	4.2
135.11636	16.3
147.11632	11.9
149.13251	2.7
156.13768	3.1
158.99557	13.8
161.13205	3.5
177.00676	15.4
211.56578	2.0
219.01686	1.9
220.10303	7.3
229.10788	7.8
234.22079	13.1
238.51645	1.9
252.23105	65.1
270.21274	3.6
270.24176	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	19.3
55.62396	1.3
56.05005	8.9
57.03416	3.2
57.07035	1.7
58.06581	59.8
67.05160	1.8
67.05482	34.0
69.07039	23.4
69.78732	1.4
70.06550	6.5
71.07344	15.4
72.08124	2.8
73.34679	1.2
75.69818	1.4
79.05469	14.2
81.06618	1.7
81.07034	31.1
82.06554	1.6
83.08578	5.8
84.08112	46.5
91.05437	2.5
93.07008	21.4
95.08558	27.2
96.08072	3.0
98.09633	6.5
107.08537	8.9
109.10117	7.4
110.09620	2.4
136.06078	6.9
137.81873	1.5
154.15868	2.2
159.29553	1.5
172.88092	1.6
198.49492	1.6
208.51045	1.8
250.25203	91.6
268.26236	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83153	0.4
53.03915	2.4
55.01845	2.4
55.05494	10.1
56.96544	0.5
57.03146	0.5
57.03415	6.8
61.02608	0.5
61.02904	10.4
62.46058	0.4
69.03033	0.5
69.03405	17.5
71.04960	2.9
73.02882	3.4
73.06525	57.0
81.03382	6.0
85.02874	100.0
87.04433	2.0
91.03917	3.3
92.62440	0.4
97.02853	21.8
98.72916	0.4
99.04400	2.9
103.03919	0.6
109.02853	8.8
121.32653	0.4
127.03868	16.9
133.80235	0.4
136.06042	0.4
145.04916	21.3
163.03833	0.6
163.05945	9.3
197.38405	0.4
217.10719	0.6
253.12834	2.6
278.75397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2264
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
50.51647	1.8
53.03927	4.8
55.05499	26.9
56.05011	5.1
56.96538	2.6
57.03414	4.2
57.07044	4.4
58.06575	2.7
60.39294	1.9
61.23233	2.0
62.97953	2.3
67.05481	84.0
69.03421	2.4
69.07037	11.3
70.06565	55.9
71.04955	8.8
79.05461	89.4
81.07021	60.7
82.06544	3.8
83.04968	3.1
83.08591	2.8
84.08111	11.2
91.05443	100.0
93.07012	70.2
94.06532	2.6
95.04931	13.7
95.08564	54.8
96.08110	10.1
97.06489	3.6
98.97543	10.3
101.34161	2.1
105.06996	63.5
107.08553	33.6
108.08151	2.5
109.06481	3.3
109.10139	15.6
110.09634	4.6
116.98582	3.9
117.06979	20.8
119.08540	38.7
121.10107	11.7
122.09613	2.3
124.11199	5.4
128.24715	2.2
131.08517	22.2
133.10095	18.2
135.11635	9.0
136.06126	41.7
145.10101	11.0
147.11658	10.8
159.11639	10.3
177.00732	3.8
217.83853	2.9
232.20360	2.3
239.19347	2.4
243.57579	2.4
250.21550	55.3
268.22607	89.0
285.58450	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1034
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.99784	0.1
53.69753	0.1
55.01851	0.2
57.03404	0.8
61.02901	0.2
69.03390	0.3
70.05095	0.1
73.02869	0.2
74.49857	0.2
85.02869	0.3
86.90555	0.2
91.39250	0.2
117.95496	0.2
119.03521	1.2
124.00612	0.2
136.06140	100.0
137.04547	0.8
140.00145	0.2
152.38837	0.2
154.07129	0.2
154.93564	0.2
229.32077	0.2
268.10327	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	268.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24179	0.5
53.03931	0.6
55.01851	2.9
56.96554	4.9
57.03419	4.2
57.07074	0.5
57.91558	0.4
59.04948	0.6
61.02906	8.3
67.05483	1.0
69.03401	13.2
71.04965	29.8
73.02899	4.9
75.00736	0.4
81.03381	5.9
83.01304	1.0
83.04987	0.7
83.16439	0.5
85.02878	48.9
87.04443	2.1
88.03963	0.9
89.05997	100.0
89.33276	0.5
91.03924	3.0
91.05450	1.3
93.07009	1.2
94.06535	1.3
95.04957	0.8
95.06863	1.2
97.02851	15.9
98.97549	4.1
99.04395	2.1
107.06918	0.5
109.02843	4.1
112.07558	1.0
113.07899	0.9
115.03934	0.7
116.98596	1.3
121.06462	20.7
122.05997	1.5
122.06783	8.5
123.06296	1.1
127.03867	7.0
128.98573	0.5
130.08615	2.5
134.05989	0.6
134.99619	1.1
136.06137	69.2
137.04547	7.6
138.09076	2.6
139.09529	0.8
145.04890	8.1
146.99643	0.6
147.04372	0.9
150.05464	11.4
151.05806	15.9
152.05618	0.9
152.06984	1.0
154.08568	0.7
158.99590	1.0
163.06000	1.2
166.08563	2.4
167.07005	3.5
174.98297	0.7
177.00607	0.9
193.85257	0.5
198.98611	0.8
211.82516	0.5
223.01176	0.8
242.98039	0.6
250.10580	3.1
268.10391	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	267.1586
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03937	1.4
55.01849	1.9
55.05278	0.9
55.05495	16.3
56.96550	0.9
57.03418	6.6
57.07049	3.7
57.87665	0.8
65.03872	0.9
67.05482	41.8
67.18442	0.8
69.03400	1.5
69.07042	15.5
71.04951	4.3
71.08585	1.0
79.05466	25.9
80.66246	0.8
81.03385	4.4
81.07027	100.0
83.04956	8.0
83.08586	7.4
85.02860	1.2
85.06516	5.2
91.05446	26.3
93.07009	14.8
95.04918	3.8
95.08576	28.2
97.06484	6.5
97.28335	0.9
98.97543	1.4
99.08040	3.3
105.07003	33.6
107.08562	9.0
109.06482	4.6
109.10126	1.4
111.08067	0.9
119.08539	24.7
121.10103	14.4
123.07996	1.8
123.11660	18.7
129.06990	1.3
131.08517	1.9
133.10144	2.1
137.13214	1.8
143.63867	0.8
147.11652	33.8
157.10202	1.2
165.12692	9.9
175.11156	1.2
200.65404	0.9
267.15811	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1035
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01847	0.4
57.03415	1.0
61.02909	0.2
62.73161	0.1
69.03416	0.4
71.01313	0.2
78.09818	0.1
81.27274	0.2
84.96885	0.2
85.02879	0.9
94.04020	0.4
97.02856	0.2
98.97566	0.2
117.06936	0.2
119.03529	0.8
121.01649	0.2
121.33434	0.2
136.06149	100.0
137.04558	0.8
137.48557	0.2
151.05795	0.3
173.44920	0.2
176.69139	0.2
268.07758	0.5
268.10306	5.1
284.50769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07977	0.3
52.72915	0.3
53.00295	0.8
53.03920	0.4
55.01862	0.5
56.96554	0.8
57.03410	2.0
57.07050	2.0
60.20732	0.3
61.02906	2.2
63.06602	0.3
67.05478	1.9
69.03405	3.8
69.07042	100.0
70.06557	0.6
71.04967	0.9
71.08588	0.6
73.02847	0.4
81.03379	1.6
83.04956	0.5
85.02876	11.3
85.10174	0.5
87.04469	0.4
87.08073	33.7
87.22677	0.4
89.05992	0.5
94.06529	0.5
97.02850	2.6
98.97536	0.6
99.08098	0.8
105.09104	12.2
106.38411	0.4
109.02850	0.5
113.78632	0.3
120.08067	0.7
123.04409	0.7
127.03873	1.6
135.04367	0.5
136.06140	8.7
147.04393	0.5
150.05437	4.5
162.05489	2.0
194.91379	0.4
210.89241	0.3
225.47707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.7
53.03922	1.5
53.82428	0.8
55.01847	1.2
55.68271	0.7
56.96550	1.3
57.03420	7.1
57.07045	4.8
61.02902	8.5
67.01918	0.7
67.05500	0.8
69.03404	20.8
69.06678	1.4
69.07039	33.1
69.07606	0.9
71.04967	1.2
71.08590	3.5
72.02835	0.8
73.02870	1.7
74.06049	1.2
77.84652	0.9
79.05460	0.9
81.03397	7.9
84.04488	1.0
85.02876	100.0
85.10155	1.7
87.04429	0.9
87.08076	66.6
91.03912	1.4
93.96606	0.9
97.02854	20.1
98.49950	0.8
99.04414	3.0
103.03913	1.2
105.09113	1.0
107.08642	0.9
109.02836	8.9
115.03901	1.0
121.06455	9.8
127.03883	12.6
135.04349	0.9
136.06122	1.8
145.04912	8.8
161.10730	0.9
163.03896	3.8
210.81985	0.8
244.99918	0.9
249.12439	1.2
267.13223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17144	0.3
53.03941	0.3
55.01849	0.5
55.05516	0.4
56.19063	0.4
57.03404	0.8
58.36726	0.4
67.05463	1.0
69.03398	0.7
69.07040	0.5
69.18177	0.5
71.04404	0.4
76.48236	0.4
79.05470	0.9
81.07027	0.9
91.05437	10.5
93.06991	0.6
95.04926	0.8
98.97550	2.1
100.09663	0.4
103.05427	1.1
105.06997	5.3
107.04906	1.8
115.05418	8.8
116.06202	4.7
117.06974	6.8
119.08523	0.7
121.06403	0.7
127.05396	0.6
128.06180	14.1
129.06953	32.6
130.07759	0.9
131.04884	2.9
131.08514	26.4
132.05667	0.7
133.06450	5.4
133.10098	2.2
139.05397	0.6
141.06943	14.8
142.07721	6.1
143.04921	1.0
143.08516	4.7
144.05655	15.8
145.06445	8.3
146.03523	0.8
146.07222	4.1
147.04301	1.0
147.07982	1.8
152.06190	1.0
153.06927	2.8
155.06021	1.8
156.05653	2.5
157.06438	13.6
158.07190	3.7
159.04343	0.9
159.07999	41.1
160.05099	1.0
161.05887	5.4
161.09567	8.3
167.07007	1.0
169.06378	2.2
169.07605	4.8
170.07195	13.4
171.04300	0.9
171.08002	8.7
172.05095	4.5
173.05911	5.3
174.06715	3.5
175.07504	4.6
178.06212	1.0
184.05098	0.8
185.05910	0.7
186.06720	0.7
187.07463	21.2
188.08235	0.9
189.05434	4.3
189.09039	9.4
190.06160	2.0
191.06955	2.3
192.07770	0.8
193.08455	0.5
198.06703	2.4
199.07414	3.2
201.05449	2.7
203.06955	9.6
203.10674	0.5
204.05826	0.7
204.07750	20.7
205.08528	3.2
206.09344	1.9
207.10164	0.5
216.07751	5.4
217.08511	0.9
218.09485	1.6
219.10075	5.1
221.07970	0.5
221.11655	2.6
231.10085	7.6
234.08791	0.8
249.11122	100.0
279.03806	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	267.1219
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.17144	0.3
53.03941	0.3
55.01849	0.5
55.05516	0.4
56.19063	0.4
57.03404	0.8
58.36726	0.4
67.05463	1.0
69.03398	0.7
69.07040	0.5
69.18177	0.5
71.04404	0.4
76.48236	0.4
79.05470	0.9
81.07027	0.9
91.05437	10.5
93.06991	0.6
95.04926	0.8
98.97550	2.1
100.09663	0.4
103.05427	1.1
105.06997	5.3
107.04906	1.8
115.05418	8.8
116.06202	4.7
117.06974	6.8
119.08523	0.7
121.06403	0.7
127.05396	0.6
128.06180	14.1
129.06953	32.6
130.07759	0.9
131.04884	2.9
131.08514	26.4
132.05667	0.7
133.06450	5.4
133.10098	2.2
139.05397	0.6
141.06943	14.8
142.07721	6.1
143.04921	1.0
143.08516	4.7
144.05655	15.8
145.06445	8.3
146.03523	0.8
146.07222	4.1
147.04301	1.0
147.07982	1.8
152.06190	1.0
153.06927	2.8
155.06021	1.8
156.05653	2.5
157.06438	13.6
158.07190	3.7
159.04343	0.9
159.07999	41.1
160.05099	1.0
161.05887	5.4
161.09567	8.3
167.07007	1.0
169.06378	2.2
169.07605	4.8
170.07195	13.4
171.04300	0.9
171.08002	8.7
172.05095	4.5
173.05911	5.3
174.06715	3.5
175.07504	4.6
178.06212	1.0
184.05098	0.8
185.05910	0.7
186.06720	0.7
187.07463	21.2
188.08235	0.9
189.05434	4.3
189.09039	9.4
190.06160	2.0
191.06955	2.3
192.07770	0.8
193.08455	0.5
198.06703	2.4
199.07414	3.2
201.05449	2.7
203.06955	9.6
203.10674	0.5
204.05826	0.7
204.07750	20.7
205.08528	3.2
206.09344	1.9
207.10164	0.5
216.07751	5.4
217.08511	0.9
218.09485	1.6
219.10075	5.1
221.07970	0.5
221.11655	2.6
231.10085	7.6
234.08791	0.8
249.11122	100.0
279.03806	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	266.2473
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
53.03918	2.2
55.05500	18.4
56.05012	6.7
57.03408	1.9
57.07064	1.9
58.06584	66.7
58.73140	1.4
67.05484	54.7
69.07049	11.3
70.06542	8.2
71.07351	19.6
72.08106	2.6
79.05471	26.5
81.07032	28.8
84.08121	46.2
91.05467	17.0
93.07011	22.7
95.04919	2.5
95.08576	28.5
96.08091	2.8
98.09657	7.0
103.14986	1.3
105.06993	9.3
107.08560	8.1
109.10113	6.6
110.09647	7.3
119.08537	6.5
124.11210	2.0
135.11646	2.1
138.67883	1.7
205.96495	1.6
248.23656	89.7
266.24692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1428
Annotation	Abscisate
Peak:m/z	Relative Intensity
53.03923	4.7
55.05479	11.0
56.96548	3.2
57.07048	3.3
59.04981	2.7
63.31178	1.9
65.03912	4.0
65.51125	2.1
67.05466	8.6
68.99762	3.5
69.03397	19.0
69.07034	2.3
72.93268	1.6
79.05445	17.8
81.07027	10.4
83.04947	38.4
85.06500	3.0
91.05451	23.2
93.03360	4.1
93.07008	34.8
95.04933	7.5
95.08567	3.2
97.02819	2.8
97.06497	3.7
97.73811	2.1
105.07011	28.5
107.08557	44.1
109.02845	16.7
109.06496	21.3
111.04384	15.2
113.05955	2.1
115.05428	4.6
117.06964	20.0
119.08539	26.5
121.02853	2.2
121.06448	50.2
121.10133	8.9
123.08025	10.2
125.09639	2.8
128.06187	2.5
129.06953	4.8
130.07701	2.0
131.08537	29.2
133.10069	17.8
135.08006	100.0
135.11652	3.0
135.52748	1.8
137.05910	3.9
142.07695	3.4
143.08502	11.0
144.09306	13.0
145.06436	16.3
145.10121	19.3
147.08005	7.7
149.05904	3.3
149.09579	15.3
151.11159	2.4
154.35143	2.4
155.01825	2.6
155.08522	7.8
157.10078	4.4
158.10873	16.7
159.08022	12.7
159.11633	38.3
160.08804	2.4
161.09569	7.9
163.03830	2.4
163.07449	26.3
163.11125	8.0
168.09235	2.5
169.10077	2.3
170.10835	2.7
171.08035	3.2
172.08784	11.9
173.06097	2.5
173.09552	21.7
173.13191	44.9
183.11612	4.7
186.10324	23.3
187.11118	81.0
191.06975	14.3
196.08762	4.1
201.12648	43.5
205.12234	10.3
211.11070	8.2
219.13800	4.6
229.12141	47.9
247.13179	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	265.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79497	0.8
56.96547	3.6
57.03402	0.9
58.19755	0.7
58.99839	0.9
63.15071	0.8
69.03382	1.8
70.99822	1.2
72.75624	0.8
77.00887	1.2
82.99828	1.4
85.02879	3.8
94.24855	0.9
97.05785	0.8
98.97560	1.8
101.00854	42.9
101.01524	1.5
115.02408	4.4
116.98616	1.2
119.01885	100.0
121.01594	1.1
127.02371	3.6
131.01909	1.9
133.03429	12.8
137.02930	11.2
139.02382	6.1
143.01860	15.8
145.03435	27.7
151.04451	1.1
151.20110	0.9
157.03421	58.3
161.02913	30.4
163.02629	1.6
163.04477	4.7
175.04471	29.4
181.05547	3.6
187.04477	1.6
205.05565	10.1
223.06572	27.4
234.43692	0.9
241.07642	10.9
247.06519	4.6
265.07611	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10631	0.5
50.22660	0.6
53.03926	0.8
53.41668	0.7
55.01838	3.8
55.05478	1.8
56.96550	1.5
57.03391	0.7
59.35566	0.6
67.05484	1.4
69.03393	1.1
69.07031	4.4
76.39020	0.8
79.05457	11.2
81.03388	14.7
81.07014	5.4
83.04944	1.6
91.05447	10.1
93.07021	1.9
95.04919	1.0
98.97569	1.3
103.05419	6.0
104.06157	0.9
105.06998	5.4
107.04919	22.5
107.08537	1.4
109.06492	1.3
115.04117	0.9
115.05412	33.8
116.06184	4.7
116.98589	1.1
117.06146	1.7
117.06976	52.2
119.08548	3.5
123.04426	1.1
124.05177	2.0
125.05933	1.7
127.05341	1.0
128.06197	5.8
129.06950	9.3
130.04103	3.6
131.04887	4.5
131.08495	7.4
132.05699	1.2
135.07915	0.9
140.71912	0.7
141.06932	7.1
143.04877	4.8
144.05656	14.8
145.06441	100.0
146.84442	0.8
147.04384	1.4
147.07971	6.6
152.04622	1.3
155.04842	1.8
155.05959	14.4
156.05647	19.3
157.06447	9.9
158.07260	3.9
159.04306	1.2
159.08008	13.9
160.05142	3.5
161.05943	8.6
167.06973	43.3
169.06439	3.5
171.04285	1.1
172.05096	3.9
173.05914	84.1
175.03896	4.2
175.07462	6.1
186.06691	4.1
187.07465	14.7
189.05426	1.6
190.06178	59.2
191.06941	4.7
192.07765	1.1
193.08574	1.6
202.06198	5.2
203.06955	12.1
205.08537	49.2
207.10089	1.2
215.06894	1.3
217.08504	39.1
218.09340	9.9
219.10112	7.0
229.08620	1.3
235.09535	5.5
235.45462	0.8
237.00664	1.0
247.09590	11.4
265.10577	7.0
265.17816	1.3
273.73477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1637
Annotation	3-Methoxy-14-calamenoic acid
Peak:m/z	Relative Intensity
50.39203	0.3
55.01855	1.9
55.05490	2.6
56.05014	1.6
57.03407	0.6
57.07057	5.8
59.04995	3.1
64.69917	0.4
65.67335	0.3
67.05493	2.9
69.03397	1.5
69.07035	2.3
71.01291	0.5
71.04961	2.1
74.06054	0.8
75.57047	0.3
79.05473	6.8
81.07032	11.2
83.04961	10.1
85.06522	2.4
88.07600	4.8
89.07912	0.5
91.05446	9.3
93.07024	8.1
95.04951	7.3
95.08577	3.7
97.06499	5.8
99.04398	0.4
103.05450	0.5
104.99228	0.5
105.07005	15.7
107.04922	2.0
107.08572	10.2
109.06489	5.8
109.10117	2.7
111.04405	6.0
111.08094	0.4
115.05432	1.0
116.98563	0.5
117.06970	6.3
119.08549	25.4
121.06467	5.2
121.10111	2.7
123.08035	2.4
125.05965	3.2
128.06195	3.8
129.06947	3.1
130.07692	0.4
131.08525	4.4
133.06456	1.9
133.10094	16.2
135.08009	12.3
135.11653	0.6
136.08771	0.5
137.05965	0.5
137.09584	4.1
142.07774	1.8
143.08536	7.4
144.09253	0.6
145.06465	4.8
145.10085	2.9
146.07207	3.5
147.08009	19.8
147.11687	0.9
149.09625	2.2
151.07492	0.6
155.08537	0.4
156.09236	0.6
157.10081	5.1
157.11275	0.6
159.07999	1.5
159.11642	5.9
160.08730	0.9
161.09567	19.7
161.13268	1.8
162.10440	0.5
163.07512	5.8
163.11128	1.7
164.08286	0.5
165.09100	0.6
167.08525	0.4
169.10066	0.6
170.05101	0.4
170.10846	1.8
171.07974	0.9
171.11649	1.0
173.09598	0.8
173.13182	1.6
174.06699	0.7
175.07446	0.7
175.11115	0.7
175.14772	2.7
177.09070	2.4
179.10669	3.2
185.09549	0.8
185.13261	4.5
187.11128	1.8
189.09068	11.1
190.09846	0.8
199.14763	0.8
201.12698	0.8
203.14258	7.0
205.12334	0.5
207.10135	11.3
214.21588	2.5
215.21928	4.0
217.15913	0.5
227.14223	0.7
244.96922	0.5
245.15269	6.0
250.62347	0.4
262.23718	3.3
263.16345	100.0
263.23932	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	263.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44729	0.3
54.81559	0.4
64.59275	0.3
69.69213	0.3
100.73502	0.3
101.00800	1.2
119.01860	4.3
120.95212	0.4
133.03342	0.4
137.02884	1.3
138.96332	3.8
143.01849	0.4
145.03410	0.4
156.97426	76.7
157.03403	0.8
161.02898	2.3
172.95110	0.4
174.98476	100.0
175.98582	0.4
176.98915	0.5
177.97911	0.5
179.98969	2.3
180.97409	0.5
185.96892	0.5
198.00194	2.5
198.98480	19.3
203.04013	0.6
206.54161	0.4
216.96165	1.4
216.99515	54.3
217.44762	0.7
221.05173	0.4
222.00056	1.7
225.95236	1.7
228.45602	0.5
240.01157	3.3
263.06003	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	263.1636
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
55.01851	1.5
55.05489	1.2
57.07045	4.7
59.04966	4.0
67.05467	2.0
69.03409	1.9
69.07033	1.1
71.04969	1.4
79.05450	6.2
81.07011	9.4
83.04955	12.1
85.06505	2.0
91.05448	11.1
92.09325	1.1
93.06998	6.5
95.04922	6.9
95.08563	4.4
97.06493	3.9
99.04388	1.2
104.99224	4.2
105.06998	18.1
107.04937	1.8
107.08541	9.7
108.85234	0.9
109.06469	5.5
109.10101	2.0
111.04399	5.3
115.05446	1.1
117.06968	4.9
119.07742	1.5
119.08540	23.7
121.06464	2.3
121.10104	4.0
123.08021	2.3
125.05925	2.3
128.06137	2.0
129.06935	2.3
131.08524	4.2
133.10094	16.2
135.08028	16.5
137.09557	4.1
142.07736	1.1
143.08487	9.3
145.06432	2.2
145.10086	2.1
146.07214	1.5
147.08015	18.9
149.09544	2.2
151.93651	1.0
157.10062	4.8
159.08032	2.0
159.11636	4.7
161.09532	19.0
161.13206	1.7
163.07481	6.4
169.10007	1.2
171.08006	1.0
175.14720	1.1
177.09038	1.4
179.10641	1.3
184.12447	1.0
185.13161	2.0
189.09059	13.2
189.12627	1.2
190.09778	1.9
199.14795	1.3
203.14343	6.9
207.10123	7.9
217.15793	1.2
245.15302	6.1
263.16315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.237
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
50.58869	1.9
51.86444	1.9
53.03928	2.9
55.05499	31.6
56.05020	3.5
56.28895	2.0
57.03410	9.2
58.06570	5.0
59.82713	2.3
59.94766	2.1
67.05479	85.2
67.05818	4.2
67.41112	2.1
69.07038	36.4
70.06564	67.7
79.05463	40.2
81.07022	88.8
81.67992	2.4
83.08587	14.9
84.08125	4.8
85.06510	11.6
91.05448	5.7
93.07007	60.9
95.04916	3.9
95.08569	93.0
96.08089	2.6
97.10152	8.5
98.09676	3.9
106.28464	2.3
107.08549	31.8
109.10117	48.1
110.09650	3.5
112.11208	5.5
119.81633	2.6
121.10097	20.9
123.11662	5.7
126.12682	3.0
135.11624	30.9
149.13214	14.6
191.17908	14.5
208.20534	85.9
209.18945	4.1
226.21585	100.0
244.22643	73.0
257.30869	2.7
262.23672	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21249	2.3
53.43139	2.1
54.80777	2.7
55.01857	2.8
55.05494	46.2
56.05014	10.9
57.03419	13.3
57.07048	4.7
57.44539	2.3
58.06568	2.8
59.04964	4.5
65.23101	2.6
67.05482	86.2
69.03381	2.7
69.07040	42.4
69.66772	2.3
70.06567	65.3
71.04988	3.2
77.67583	2.4
78.97292	2.7
79.05459	47.2
81.07026	100.0
83.08587	18.0
84.08108	12.1
85.06527	4.9
91.05445	12.4
93.07001	59.5
95.08566	96.9
95.09149	4.7
96.08103	4.6
97.10141	11.8
98.09681	4.5
99.08083	3.5
107.08554	40.3
109.10117	46.8
110.09645	3.8
111.08070	3.7
112.11152	3.9
121.10088	26.7
123.11644	5.4
135.11650	29.6
149.13167	11.2
191.17891	15.9
208.20555	69.4
209.18941	14.9
226.21579	61.9
244.22603	68.7
262.23682	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	261.2206
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.85639	1.9
55.05494	18.8
55.07484	2.1
57.07048	3.6
62.46088	2.4
67.05471	12.0
69.07034	13.8
71.04967	4.0
79.05461	11.4
81.07021	32.8
83.08598	5.0
85.06511	12.4
88.25549	2.6
91.05434	12.7
93.07011	46.5
95.08558	37.8
100.25754	2.7
104.22015	2.6
105.06992	32.6
107.08548	55.8
109.10110	20.8
110.60258	2.8
111.75916	2.5
113.09598	10.3
119.08531	35.6
121.10095	41.7
123.11670	13.1
125.09604	3.3
131.08510	14.7
133.10075	100.0
135.11655	36.3
139.11139	4.2
143.08592	2.9
145.10091	29.0
147.11639	19.2
149.13232	6.3
158.10793	5.6
159.11610	23.1
161.13176	13.3
173.13179	39.9
187.14761	21.8
203.17915	20.1
243.20970	22.4
261.22116	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2207
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
55.05500	34.7
55.64438	2.8
56.96544	6.2
57.01175	2.6
57.07050	13.8
59.04998	3.6
59.56141	2.6
64.82623	2.9
67.05483	31.6
69.03413	4.9
69.07056	31.6
79.05450	19.3
81.07031	75.2
83.08606	7.2
85.06525	25.9
90.98155	2.8
91.05457	21.5
93.07006	69.9
95.04913	5.8
95.08573	55.9
97.10126	4.1
98.97570	30.6
105.07017	46.1
107.08556	60.8
109.06490	5.4
109.10127	47.9
113.09625	5.6
116.98582	13.4
119.08547	49.0
121.10107	60.7
123.11659	24.4
125.09612	4.2
131.08522	15.1
133.10085	100.0
134.99615	12.9
135.11644	50.3
137.13188	3.5
143.08640	4.5
145.10065	39.1
147.11647	38.3
149.13174	15.8
158.04517	3.2
158.99644	5.2
159.11667	33.8
161.13161	13.7
170.47855	2.9
173.13203	41.9
175.14743	3.9
177.00587	4.8
187.14864	27.6
191.13954	3.6
201.16273	4.9
203.17885	26.8
243.21082	22.9
261.21982	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	261.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62133	0.7
53.00275	0.7
53.03931	1.3
55.01846	1.5
55.05497	8.7
56.96548	1.4
57.03417	13.4
60.04504	1.2
61.02906	17.3
63.22440	0.8
67.05468	1.3
69.03407	100.0
70.88512	0.8
71.04962	5.4
73.02889	3.7
81.03380	3.8
83.04953	21.5
85.02872	26.9
87.04445	7.9
88.03947	4.4
91.03934	4.0
95.01302	3.7
97.02853	1.1
98.97553	3.8
98.98418	12.8
99.04429	5.5
102.05503	3.5
111.04391	7.2
115.03902	7.4
116.15001	1.0
116.98586	1.3
122.42068	0.9
123.04514	1.1
129.05426	10.6
137.05910	0.9
147.06491	6.8
148.06030	1.4
153.10226	1.8
219.01694	0.9
243.07967	5.4
261.09592	4.0
261.58032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
55.01853	0.8
55.05499	73.2
56.96537	1.0
57.03422	7.7
60.04514	2.2
61.02905	2.7
67.05448	0.5
69.03404	6.4
69.07040	6.7
69.60968	0.6
71.01343	0.6
71.04965	3.1
72.08136	0.8
73.02887	3.7
79.05466	17.2
81.03377	1.4
81.07030	100.0
83.04932	0.7
83.08600	8.1
85.02878	24.8
86.09653	0.7
92.83897	0.6
97.02843	6.7
98.97552	1.4
98.98434	1.0
99.08065	14.6
102.05502	0.7
102.22132	0.6
109.02876	1.0
115.03880	1.0
116.98529	0.7
122.50235	0.6
127.03883	3.3
131.08162	0.8
133.04922	2.5
141.01833	1.1
143.60776	0.8
145.04924	3.3
151.19548	0.7
154.44220	0.6
163.03860	1.1
168.80460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23010	1.3
53.03929	2.3
54.77058	1.3
55.01851	2.5
55.05477	1.6
56.96547	18.9
57.03413	7.4
58.46836	1.3
61.02894	6.6
61.80800	1.3
65.42835	1.2
67.05486	2.0
69.03403	16.1
69.07069	1.6
70.06544	2.0
71.04626	1.6
71.04944	12.6
73.02882	3.4
81.03387	3.1
83.04951	8.3
83.73214	1.4
84.04471	3.6
84.08118	9.3
84.95988	1.4
85.02872	18.7
85.08475	1.7
86.09677	8.3
93.99124	1.5
95.04943	15.0
96.34010	1.7
97.02863	21.5
98.97556	29.0
99.04419	10.6
101.00848	7.8
103.02453	2.2
110.97522	2.0
112.99109	2.7
113.05983	9.6
116.98563	12.6
119.01858	17.0
121.01637	2.1
126.06591	2.4
127.03851	9.9
128.98579	2.7
130.04948	1.8
131.00134	7.0
131.01875	5.9
133.03421	8.6
134.99646	6.5
143.00134	2.9
143.01900	5.9
144.49286	1.5
145.01643	2.3
145.03441	8.7
145.04955	1.8
146.03554	1.8
146.99567	2.7
147.03232	2.7
147.05019	2.2
147.07526	1.9
155.01907	2.0
158.99574	3.4
161.02921	10.2
171.04971	10.8
173.02911	3.5
177.00627	3.1
185.02914	3.2
189.02419	2.6
189.06078	6.9
195.01682	1.8
195.54242	1.5
201.03639	2.0
203.03935	6.1
205.01357	1.8
221.04953	14.7
229.03139	24.1
237.02649	3.2
243.04736	5.6
245.05084	6.4
260.58362	1.9
261.03391	3.2
261.05737	98.7
261.09351	100.0
279.83087	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76706	1.0
53.03921	1.3
55.05503	8.6
56.63853	0.8
56.96541	5.4
57.03419	15.0
61.02907	16.8
63.28236	1.1
64.06570	0.8
64.56991	0.9
67.05442	1.0
69.03403	100.0
71.04957	8.9
73.02870	2.6
79.02151	1.2
81.03374	5.7
83.04954	19.6
85.02878	32.0
87.04427	6.1
88.03959	1.9
88.04745	1.1
91.03914	1.5
95.01267	9.2
97.02865	7.7
97.04002	1.7
98.97553	7.1
98.98432	22.1
99.04417	8.8
102.05495	1.9
107.04951	1.2
111.04375	8.7
114.34531	1.1
115.03880	6.4
116.98593	2.2
117.98907	1.0
122.39272	1.2
123.04314	1.4
125.53294	1.1
127.03911	2.2
129.05443	12.4
134.99596	1.8
144.13762	1.8
147.03294	1.2
147.06453	9.1
148.06116	1.3
163.03958	1.4
173.05873	2.6
177.00594	1.5
189.00685	1.1
215.06981	1.2
243.08066	5.4
261.09616	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	261.0364
Annotation	D-Fructose-6-phosphate
Peak:m/z	Relative Intensity
53.03916	0.9
55.01863	1.5
56.96539	2.4
57.03412	3.6
57.07058	0.4
61.02909	6.1
67.05467	0.5
68.98303	0.4
69.03400	11.9
71.01336	0.4
71.04948	1.0
73.02884	0.7
79.02170	3.6
81.03388	4.0
83.04966	1.7
84.08110	0.6
85.02873	41.0
87.04428	0.6
88.03941	0.5
89.06014	0.3
91.03936	0.5
97.02850	14.4
98.98425	100.0
99.04407	3.2
102.05490	0.7
103.02430	0.6
109.02832	4.9
111.04443	0.4
115.03883	0.8
116.98653	0.6
116.99435	4.5
119.01876	2.4
121.03399	0.7
127.03865	8.6
129.05434	0.7
133.03304	0.4
134.05936	0.5
134.99634	0.4
144.99834	0.4
145.03539	0.5
145.04916	5.2
148.05949	0.5
163.05936	0.8
164.07019	0.6
165.26021	0.4
165.84612	0.5
172.95129	0.5
180.65761	0.4
205.01848	0.6
229.03145	1.6
244.03691	0.4
248.99023	0.9
261.05765	10.2
261.08722	0.7
261.09167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.205
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.16385	2.8
55.05498	27.4
63.05076	2.6
67.05472	23.2
69.07041	64.8
71.04960	45.9
73.02055	3.5
79.05456	16.5
81.07030	36.9
83.04964	8.4
85.06511	21.4
86.94563	3.3
91.05431	25.3
93.07004	37.2
95.04948	6.2
95.08566	34.0
97.06498	5.1
97.92001	3.4
105.06988	57.2
107.08543	34.9
108.59345	4.1
109.06477	14.3
109.10125	18.1
111.08045	53.4
116.79846	4.0
117.06973	18.3
119.08533	96.3
121.10115	17.1
123.11672	20.6
123.26228	4.3
131.08536	26.9
133.10089	63.9
135.08014	26.4
135.11607	7.6
143.08485	8.0
145.10069	48.3
147.11641	38.0
156.09338	4.2
157.10078	13.3
158.10846	3.4
159.11618	45.0
160.12456	4.6
161.13191	89.7
171.11621	22.6
173.13203	17.9
175.14754	100.0
176.15538	4.9
185.13197	17.8
201.16336	34.2
236.19487	4.0
241.19429	16.9
245.62094	3.7
259.20490	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	261.03
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17532	0.1
56.96530	1.0
83.29855	0.2
98.97536	5.6
99.97871	0.2
101.00845	1.2
104.59931	0.2
116.98579	5.8
117.98963	0.2
119.01877	12.5
120.01962	0.3
134.99609	5.1
137.02905	5.9
138.02962	0.2
148.39505	0.2
149.04796	0.2
153.00722	1.5
158.99826	0.9
159.51898	0.2
170.98012	0.1
175.02951	0.2
177.00887	25.4
178.00943	0.2
182.99800	0.2
193.04092	0.3
195.01920	0.8
201.00821	1.3
216.30708	0.2
217.03998	4.4
219.01933	33.3
220.02023	0.3
221.02408	0.2
225.00766	1.5
237.98639	1.8
242.03569	0.2
243.01891	5.6
261.02960	100.0
262.03238	1.2
263.03452	0.2
265.43030	0.2
275.04462	0.3
278.97028	0.3
279.00504	2.5
284.04593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	3.8
53.03913	1.1
54.80442	0.8
55.01845	6.0
55.05486	1.3
64.31981	0.8
67.05469	2.2
69.07043	40.5
69.24430	1.0
69.70791	0.9
78.04683	1.0
79.05460	11.5
81.06994	1.6
83.04939	1.3
89.03885	23.8
92.09348	1.6
95.04902	4.0
97.06497	23.2
98.97526	1.0
107.04938	6.4
117.03344	31.2
133.02803	2.2
134.03583	13.0
135.04373	45.8
145.02809	27.9
163.03844	100.0
217.04906	6.4
259.09561	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	259.205
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.99518	1.8
55.05495	17.7
56.96549	8.3
57.07048	8.9
57.26543	1.9
57.81885	2.0
66.42112	2.2
67.05491	26.0
69.07039	19.2
70.19350	1.9
71.04952	7.9
79.05455	14.6
81.07015	28.2
83.08575	8.0
85.06522	4.6
85.81270	2.0
91.05450	23.9
92.09359	5.9
93.07005	63.1
95.08566	45.0
98.97539	36.9
99.08060	2.1
105.06996	54.0
107.08565	56.7
109.06432	3.0
109.10119	34.5
116.98572	18.6
117.06948	10.0
119.08533	57.6
121.10090	22.3
123.11593	2.2
128.06133	2.4
129.06927	10.3
130.07748	5.3
131.08519	37.0
133.10091	62.9
134.99632	11.0
135.11653	18.8
137.09509	2.7
142.07704	5.2
143.08527	21.0
144.09343	4.1
144.97195	2.2
145.10071	78.7
147.11656	21.5
151.11124	11.7
155.08540	2.2
156.09274	10.2
157.10094	32.3
158.10812	2.9
158.99611	4.1
159.10385	3.7
159.11632	62.2
161.13188	5.0
165.12729	3.9
170.10782	4.7
171.11591	18.6
173.13187	18.1
175.14743	2.6
177.00658	5.5
185.13168	27.8
186.13963	2.5
189.16315	8.1
190.95247	3.4
197.13222	2.7
199.14760	13.0
200.70174	2.2
201.16306	100.0
241.19365	30.5
250.30475	2.8
252.25310	2.7
259.20477	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04617	0.7
55.05497	18.1
55.38003	0.8
57.07061	11.0
58.06586	9.5
69.07044	20.5
70.09654	0.7
71.08610	2.2
83.08578	10.0
85.10181	1.2
97.10130	7.3
111.11679	1.3
240.26782	100.0
258.27798	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	258.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12456	0.7
54.77719	0.6
55.05245	0.9
55.05497	16.2
57.07056	7.1
58.06572	7.4
59.04972	3.6
69.07040	19.2
69.07393	1.0
70.06566	1.8
71.08604	1.7
72.08125	27.6
77.25668	1.0
83.08596	8.9
84.08088	1.5
85.08892	7.5
86.09672	6.0
86.89121	0.9
92.62388	0.8
97.10122	4.6
98.09637	1.8
111.79504	0.9
112.34574	0.9
142.16107	0.9
190.01166	0.9
228.49750	0.9
228.69949	0.8
240.26775	100.0
258.27823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72075	1.7
61.73690	2.1
86.06039	2.1
86.09669	10.5
94.92961	4.9
96.92776	2.1
98.78955	2.5
98.97549	2.8
104.10705	24.3
105.11044	4.5
119.01855	10.2
124.99963	13.3
129.03915	2.7
132.52754	2.2
145.03455	4.3
146.06531	3.3
147.04991	5.0
150.95483	3.4
156.97437	48.5
157.03401	2.7
166.03926	11.6
166.53978	4.0
174.05962	2.3
174.98477	100.0
175.04440	9.4
175.54544	2.8
177.62679	2.4
198.98448	13.7
200.03966	5.4
210.04741	9.9
216.99525	54.9
258.10965	3.0
258.99731	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	257.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.6
53.03933	1.6
55.05494	7.1
57.07048	1.6
65.03928	0.8
67.05478	4.4
69.07035	6.0
71.04963	12.7
79.05463	24.5
81.07026	100.0
83.08596	2.9
85.06509	0.7
89.14725	0.6
91.05463	5.8
93.07008	25.2
95.04959	1.3
95.08570	13.2
97.06464	0.9
97.10159	0.9
98.97569	0.7
99.08062	1.0
105.07000	12.4
107.08557	44.5
109.06483	0.9
109.10133	12.8
111.07983	0.7
111.50504	0.7
119.08547	19.0
121.10088	5.4
123.11612	7.7
125.09622	1.1
127.11169	4.9
131.08444	0.8
133.10081	16.6
135.11652	57.2
136.86140	0.6
137.13179	1.4
139.01750	0.9
143.10663	3.8
145.10068	1.2
147.11638	7.6
149.13179	0.9
153.12578	0.7
160.12437	0.7
161.13194	6.1
163.14752	1.0
171.30037	0.7
203.17928	13.3
221.18831	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	257.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05490	5.7
57.07043	1.4
58.70533	0.8
61.78712	0.8
65.03947	1.0
67.05477	5.8
69.07034	7.5
71.04959	10.6
71.86927	0.8
73.21748	0.9
78.71719	1.0
79.05457	20.5
79.38028	0.9
81.07023	100.0
91.05457	6.2
93.07008	24.7
95.08574	11.6
97.06451	1.0
105.06999	13.0
107.08558	45.8
109.10117	15.7
119.08551	16.2
120.09314	1.0
121.10120	1.9
123.11654	8.5
127.11156	6.0
131.08569	1.2
133.10094	16.4
135.11639	48.3
143.10616	1.2
147.11650	12.2
151.11053	1.0
153.12692	1.7
161.13231	5.0
189.26086	1.1
203.17932	13.1
221.18892	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	258.2421
Annotation	Andrachamine
Peak:m/z	Relative Intensity
55.05481	2.3
56.05022	0.9
56.91033	0.5
57.03403	2.4
57.06797	0.9
57.07058	16.8
58.06580	41.4
58.34138	0.5
67.05482	10.4
69.03390	0.9
69.07043	5.6
70.06561	2.3
71.04940	1.0
71.07336	3.4
72.08128	7.9
74.77048	0.5
79.05437	3.1
81.07017	4.7
83.08562	1.2
84.08102	3.4
85.06518	11.9
92.08736	0.9
93.07004	2.2
95.08566	3.9
97.06487	6.0
106.88275	0.6
107.08524	2.5
109.10112	7.2
113.09589	0.9
135.11623	1.0
140.14301	0.7
149.13219	0.7
161.02351	0.8
163.03885	1.3
163.50192	0.6
173.02283	2.8
191.17882	1.0
215.07047	1.1
240.23132	100.0
255.24034	0.6
258.24188	41.5
273.65186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1894
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.80818	1.8
55.01849	3.8
55.05494	14.0
57.07055	2.3
67.05482	17.7
69.07056	15.4
71.04955	11.2
73.73675	1.5
79.05457	21.8
81.07030	20.7
83.04957	3.9
83.08596	3.3
85.06509	3.2
88.62880	1.6
91.05444	30.2
93.07014	38.5
95.04923	13.9
95.08563	24.6
97.06467	2.3
103.43284	1.9
105.07005	55.0
107.07982	2.3
107.08568	33.6
109.06496	14.2
109.10142	18.4
111.08036	4.0
115.05404	7.5
117.06981	12.5
119.08543	49.8
121.00691	2.0
121.06403	2.0
121.10105	100.0
121.67105	1.8
123.08032	7.5
128.06168	2.7
129.06973	8.7
130.07742	2.3
131.08504	26.9
133.07509	3.4
133.10098	23.4
135.07993	33.9
135.11647	4.1
137.09592	3.5
139.01758	9.0
139.38011	1.9
141.06947	2.2
142.07727	14.4
143.08546	30.7
144.09311	7.2
145.10106	30.6
147.11647	6.9
149.09592	2.8
155.08508	9.2
156.09325	10.1
157.10101	44.2
158.10864	11.0
159.11642	46.9
161.09531	2.7
163.11124	4.1
167.08470	2.5
168.09270	6.9
169.10071	18.9
170.10880	3.6
171.11635	24.8
173.09583	3.1
173.13191	40.3
174.13995	4.4
175.11159	3.5
182.10867	3.2
183.11650	17.6
184.12434	4.0
185.13200	2.9
187.11121	8.1
187.14735	4.4
195.11598	2.2
197.13271	15.8
199.14749	44.5
201.12703	12.4
213.16302	10.8
214.17128	3.5
215.14282	3.6
215.17909	11.6
239.17776	15.7
239.25479	3.7
256.26212	4.3
257.18912	87.5
257.26563	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	257.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45706	0.3
55.01848	1.2
56.68826	0.2
57.03419	6.2
57.10215	0.3
59.72351	0.3
75.04441	1.7
79.05459	4.3
81.07043	0.6
91.05431	1.6
94.04153	0.6
95.04923	1.6
103.05404	3.3
105.06998	41.0
107.04932	3.5
109.02805	0.3
109.06485	1.7
110.03583	0.3
111.44268	0.3
114.54514	0.3
115.05405	1.6
116.00438	0.3
117.06983	0.6
119.04948	0.4
121.06475	0.4
122.03600	4.9
124.05172	0.6
125.17490	0.3
128.06236	0.4
133.06447	39.7
134.06015	0.3
135.08014	0.8
136.05049	0.4
137.05934	100.0
138.09183	0.3
145.06427	0.4
150.06711	0.5
151.07333	0.4
153.23732	0.3
163.07428	3.1
165.09048	14.4
175.07468	2.8
177.09052	0.6
181.08568	1.4
183.10106	2.7
183.11575	0.3
203.10754	0.5
206.29787	0.4
209.11528	0.3
221.11618	0.6
239.12823	0.7
257.13663	0.7
266.42380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.1
55.01842	8.6
55.05491	30.7
56.96547	2.8
57.03401	2.8
57.07056	3.3
61.02898	3.3
67.05477	31.8
69.03410	11.3
69.07050	22.8
71.04959	13.7
75.89659	2.5
78.82246	2.1
79.05456	32.2
81.07028	100.0
83.04938	4.5
83.08597	25.5
85.02880	2.6
85.06509	83.2
85.24689	1.9
91.05450	24.4
92.08685	2.7
93.07011	97.8
95.04921	16.2
95.08573	53.8
97.06484	31.2
97.10163	2.3
97.75343	2.1
98.97545	9.2
99.08031	12.1
105.06994	31.4
107.04914	2.8
107.08569	26.8
109.06489	24.8
109.10144	17.9
111.08072	30.6
119.08538	37.9
121.06475	16.2
121.10101	29.5
123.08060	3.2
123.11662	23.1
125.05907	3.7
125.09595	3.9
125.38060	2.3
133.10036	16.5
135.11612	3.6
139.01782	5.3
139.07494	65.9
142.07794	2.3
143.68739	2.6
147.07881	2.3
147.11581	3.0
157.08551	33.3
159.11665	4.2
159.84975	2.2
161.13211	44.6
175.14780	5.4
177.16292	2.7
179.14218	5.4
187.68167	2.4
203.14256	5.6
221.15324	14.7
227.98253	2.5
239.16362	4.0
245.78598	2.5
257.13196	3.3
257.17365	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	256.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47198	2.1
55.05494	49.7
56.05034	2.8
57.03418	10.2
57.07053	13.1
66.01864	2.6
67.05483	92.8
69.07045	50.3
70.06566	59.6
79.05486	5.4
81.07026	95.4
83.08595	29.0
84.08112	16.8
84.14619	2.2
93.07008	2.1
95.08572	72.9
97.10132	10.9
98.09652	2.2
109.10123	42.9
121.48814	2.3
123.11683	5.0
142.15849	5.2
175.87059	2.2
179.99561	2.0
180.25082	2.2
238.25215	100.0
256.26266	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	256.263
Annotation	Hexadecanamide
Peak:m/z	Relative Intensity
53.40741	0.9
55.05498	12.1
57.03419	8.4
57.07033	1.1
58.06577	5.0
60.65376	1.0
66.58535	0.9
67.05486	14.4
69.06781	0.8
69.07050	11.9
70.06561	2.3
72.08131	31.9
72.70719	1.2
81.07041	14.6
83.08601	7.7
84.08127	4.7
85.08893	17.6
86.09698	1.0
95.08569	13.3
97.10133	2.1
98.09682	11.0
109.10089	4.7
112.11148	1.1
139.01787	1.4
162.35922	1.2
174.46280	1.0
185.60437	1.0
186.01552	1.1
201.43964	1.1
238.25223	68.4
256.26273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46530	0.5
53.00275	0.7
55.01604	1.4
55.01855	31.3
55.05472	0.7
56.01940	0.5
56.96545	15.9
57.03417	69.8
58.99837	3.6
59.04688	1.1
59.04980	25.7
61.02906	15.5
68.99754	1.0
69.03402	21.8
69.11175	0.6
71.01324	22.0
71.04967	19.3
73.02497	1.3
73.02885	32.3
75.04441	6.5
75.18974	0.7
77.00893	2.8
77.05993	3.1
81.03389	5.4
82.01399	1.4
83.01312	10.2
83.06054	2.9
85.02872	79.7
87.00790	3.2
87.04434	40.9
89.02357	11.4
91.03914	3.6
95.01315	4.8
97.01389	1.0
97.02277	1.2
97.02850	22.7
98.97561	1.4
99.04426	6.7
100.02422	8.0
101.00847	4.6
101.02339	76.8
101.06016	1.3
103.02417	3.0
103.03214	1.5
103.03880	8.6
105.01830	0.7
109.02844	6.8
111.00771	8.9
113.00839	0.8
113.02326	8.0
114.05482	2.5
115.02480	12.0
115.03887	83.3
116.98592	1.0
117.01831	1.3
117.03934	14.7
118.03483	4.3
119.01878	17.1
119.03351	3.7
121.03441	0.8
121.04189	0.8
124.03905	42.1
124.99078	1.1
127.02406	1.0
127.03858	15.3
127.04935	3.1
129.01791	92.4
131.01859	1.6
131.03378	1.6
133.03412	14.5
133.04916	12.6
135.04988	10.8
137.02928	5.2
140.05518	1.2
141.01753	5.7
141.05382	2.4
143.00180	4.8
143.01910	6.3
143.03351	28.8
145.03433	11.6
145.04912	14.4
147.02803	6.3
150.06598	1.0
154.94090	1.6
155.08093	10.3
157.01273	64.3
157.03224	7.3
158.06580	3.6
159.02820	2.9
160.04706	3.3
161.01199	8.6
161.02927	7.9
161.04361	44.2
162.99091	1.0
163.02736	1.1
163.04445	6.8
163.05942	3.5
166.03450	0.7
166.08470	1.0
168.04971	1.1
169.05190	3.8
171.01315	7.1
171.02827	30.1
171.05048	1.0
172.95201	3.8
173.02942	0.8
173.17662	0.7
175.02307	4.7
175.04449	6.3
176.04622	0.8
179.02313	1.0
179.04018	0.9
184.04524	8.0
186.06096	0.8
187.04453	0.8
189.02405	8.2
189.03868	100.0
190.96190	1.5
191.00124	0.7
196.07127	1.3
203.05440	37.9
207.03270	5.7
207.05101	1.3
210.02498	1.7
212.03937	6.2
221.04622	1.0
221.06534	13.7
224.07631	3.2
230.05023	3.3
233.01300	7.0
251.02396	21.2
256.02930	11.3
274.04022	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	256.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05081	1.2
55.01860	28.9
56.96541	8.5
57.03152	2.9
57.03421	62.3
59.04984	18.7
61.02892	10.5
67.05486	1.7
69.03397	12.2
71.01328	14.2
71.04964	18.7
73.02897	28.4
75.04453	2.1
76.54816	1.5
81.03395	2.5
81.26152	1.4
83.01294	9.3
85.02878	35.2
87.00802	1.7
87.04433	31.2
89.02353	9.2
95.01279	3.9
97.02889	12.0
97.97099	1.5
98.97552	2.3
99.04459	1.9
101.02347	59.5
103.03925	3.1
104.02134	3.8
109.02831	2.3
111.00763	8.3
113.02318	13.9
115.02400	1.8
115.03897	78.2
117.01826	1.7
117.03954	1.9
118.01817	2.0
119.01852	3.0
119.03348	2.0
121.01550	2.8
124.03917	51.4
126.05455	2.1
127.03889	8.1
129.01802	97.6
133.03423	6.1
133.04929	11.5
136.93083	12.2
139.02316	2.2
141.01793	6.2
143.01846	2.1
143.03363	33.4
145.04913	4.1
147.02834	6.6
154.94119	27.8
155.03256	1.7
155.08096	2.9
157.01280	69.7
161.04414	36.3
171.02812	25.4
172.95204	41.7
175.02306	2.8
178.63176	1.6
185.04376	2.9
189.03888	100.0
190.96228	20.2
203.05432	38.3
207.04994	6.2
210.11382	1.8
221.06517	16.1
224.07545	3.4
232.97249	6.4
233.01442	2.3
251.02388	9.9
256.02942	3.2
256.11810	2.1
274.03922	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	255.1948
Annotation	[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol
Peak:m/z	Relative Intensity
51.48738	0.7
53.00295	1.1
55.05489	6.9
55.15705	0.8
57.03402	1.1
57.07046	4.1
67.05470	5.4
69.03377	1.1
69.07030	6.2
71.04960	20.9
72.08124	6.3
73.06499	0.9
74.53564	1.0
79.05478	8.8
79.56316	0.9
81.07024	10.3
83.08596	1.6
85.02876	1.3
91.05450	8.9
93.07011	21.3
94.65701	1.0
95.01302	1.0
95.04935	1.8
95.08559	7.4
97.06484	4.0
105.06987	28.7
107.08554	32.2
109.06480	4.2
109.10133	10.0
116.98518	1.6
117.06964	2.2
119.08552	15.2
119.56422	1.1
120.08015	2.2
121.06484	1.7
121.10116	5.9
123.08005	1.7
123.11671	4.1
125.09578	1.2
127.11140	11.8
130.07747	1.3
131.08530	5.0
133.10077	18.7
134.99554	1.1
135.08029	2.2
135.11589	1.4
139.11131	1.8
145.10068	24.7
146.37949	1.0
147.11652	9.1
149.09570	1.0
149.13231	1.1
150.96825	2.0
151.11125	100.0
153.05432	1.6
159.11646	10.1
161.57426	1.0
163.11115	1.6
201.16278	11.0
219.17366	24.5
234.21951	1.0
237.18431	31.4
255.19441	2.0
275.51202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1949
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.03937	1.7
54.81064	1.2
55.01858	2.5
55.05494	27.0
57.03412	1.7
57.07053	5.4
59.04987	8.1
64.21748	1.2
65.03908	1.7
67.05484	24.1
69.03400	4.9
69.07043	100.0
71.04964	4.7
71.08600	1.4
72.90780	1.2
73.06527	1.1
75.33853	1.1
79.05447	15.8
81.07024	45.2
83.04954	8.1
83.08598	9.8
85.06518	7.7
91.05463	10.3
93.07005	36.2
95.04945	1.8
95.08568	30.5
97.06492	19.9
97.10113	2.2
103.03271	1.2
105.06997	14.1
106.03231	1.1
107.08550	29.2
108.27808	1.1
109.06505	4.4
109.10120	26.8
111.08053	6.1
111.11701	12.1
114.35565	1.4
117.07003	1.4
119.08547	11.6
121.10085	23.1
123.08055	4.2
123.11652	2.8
125.09628	1.4
131.08493	2.4
133.10101	6.5
135.11665	10.7
137.09566	7.6
137.13182	2.1
139.11136	6.9
145.10088	4.8
146.10858	1.3
147.11649	4.4
149.13205	14.0
159.11639	5.7
161.13205	2.0
163.11198	1.9
167.14322	1.9
179.12411	1.1
189.16240	1.5
201.16293	1.7
219.17398	4.9
237.18570	1.3
255.19440	5.3
255.25081	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	255.1948
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
51.82858	1.2
53.00277	2.6
53.03928	3.1
55.05500	20.8
57.07054	7.0
59.04975	1.9
60.44472	1.3
67.05477	17.9
69.03410	2.4
69.07042	41.8
70.39951	1.4
71.04964	35.8
72.17782	1.4
73.06528	3.1
79.05461	23.2
81.07025	64.2
83.04964	2.5
83.08579	7.8
84.27576	1.4
85.06519	7.7
91.05452	32.7
93.07011	47.4
95.04935	3.0
95.08565	41.3
97.06483	11.9
97.10135	3.2
98.97527	2.5
99.08047	13.3
105.06998	70.2
107.08561	41.7
109.06495	8.5
109.10130	25.0
111.08062	8.0
115.05486	1.5
117.06983	3.3
119.08547	21.6
121.10087	24.2
121.10762	1.5
123.08099	1.9
123.11672	7.2
125.09606	8.1
127.07521	2.2
127.11134	1.9
131.08466	12.9
131.39432	1.5
133.09068	3.5
133.10089	100.0
135.11618	3.8
139.11137	7.7
143.10672	3.0
145.10072	13.5
147.11610	9.9
149.13237	9.8
151.11076	6.8
159.11601	11.9
161.13130	2.0
163.11142	2.8
167.14296	8.5
175.14786	2.2
191.17929	2.3
201.16364	9.9
219.17323	20.3
237.18407	13.4
255.19427	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	255.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39013	1.3
53.03921	2.0
55.05497	23.4
57.03407	2.0
57.07050	3.0
59.04971	2.5
59.22062	1.4
59.42039	1.3
67.05485	25.1
69.07041	15.2
70.61551	1.6
71.04967	34.6
78.15704	1.5
79.05470	18.9
81.07028	89.0
83.08591	2.3
85.06522	1.6
90.38902	1.4
91.05444	36.7
93.07005	97.9
95.04918	8.9
95.08575	34.9
97.06491	3.6
103.38463	1.6
105.07001	100.0
107.07863	2.9
107.08555	34.6
109.06474	7.6
109.10117	25.3
115.05371	1.6
117.06969	8.4
119.08535	43.6
121.10094	14.0
123.08000	2.5
123.11675	23.3
125.09590	3.7
127.11118	2.7
130.07733	2.9
131.08510	18.0
133.09073	3.3
133.10085	99.7
135.11649	8.8
137.09572	11.5
144.09442	2.1
144.57999	1.8
145.10123	21.1
147.11670	14.9
149.09605	2.3
149.13326	3.5
151.11142	10.9
155.10623	3.9
159.11639	16.8
161.13191	3.0
173.13145	3.2
180.89009	1.6
188.44141	1.8
201.16353	10.2
219.17369	10.2
237.18425	3.4
255.25061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1949
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
50.91305	2.3
53.00291	3.3
54.80839	2.9
55.01849	4.4
55.05498	29.3
56.96545	5.4
57.07053	7.3
67.05218	2.4
67.05491	34.5
69.03400	7.4
69.07048	40.4
71.04967	66.0
71.83649	2.7
75.95559	2.6
77.47713	2.7
79.05453	47.6
81.07030	80.9
83.04957	2.9
83.08595	6.9
85.06512	4.4
87.78481	3.5
91.05438	40.3
93.07002	62.0
95.04910	12.4
95.08569	56.3
97.06495	20.8
98.97554	20.7
99.08056	20.7
105.07001	100.0
105.35831	2.9
107.08557	44.6
109.06467	6.3
109.10139	37.6
116.98544	4.3
117.06985	6.9
119.08557	32.2
121.06419	5.3
121.10102	26.2
123.08034	3.5
123.11662	15.6
125.09576	14.5
127.11179	3.9
129.06955	4.2
131.08516	13.8
133.10081	92.5
135.11661	5.5
143.10657	6.3
145.10065	19.2
147.11613	13.5
149.13211	17.3
151.07504	7.1
151.11119	4.1
159.11647	5.1
165.09023	3.7
167.14259	15.7
190.18617	2.7
201.16351	4.1
219.10036	3.7
219.17296	13.3
237.18443	5.3
239.11443	3.3
271.71283	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1948
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
50.45456	2.3
53.00287	2.7
55.05495	27.7
57.03438	3.8
57.07052	2.9
58.50361	2.4
59.04973	3.1
64.41144	2.0
67.05488	34.6
69.07037	19.4
70.40083	2.2
71.04961	25.2
79.05467	25.3
81.07028	87.7
83.04953	5.8
83.08585	2.7
85.06511	3.2
91.05446	39.8
93.07011	100.0
95.04949	2.6
95.08567	39.2
97.06488	10.4
99.08044	2.4
105.07003	99.1
107.08562	47.4
109.06514	11.6
109.10131	25.2
117.06979	11.0
119.08543	50.3
121.10117	15.9
123.08031	3.0
123.11684	23.0
125.09583	10.6
127.11172	3.1
131.08540	17.5
133.10086	97.8
135.11661	15.1
137.09578	16.4
139.11101	3.4
144.09216	2.5
145.10086	18.2
147.11644	16.7
149.13226	2.7
151.11182	9.5
155.10634	3.3
159.11655	15.5
161.13216	4.5
163.11177	3.4
176.05602	2.8
201.16371	3.9
219.17345	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	255.1949
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
50.49130	1.0
52.41858	1.0
52.99663	1.0
53.00289	1.9
53.03941	1.8
55.05493	13.7
56.96556	5.3
56.97783	1.2
57.07056	1.4
59.04966	1.2
66.60075	1.1
67.05480	16.8
69.03419	2.2
69.07047	10.0
71.04966	19.9
79.05458	19.9
81.07030	36.9
83.04970	2.3
83.08593	2.2
88.76271	1.1
91.05452	35.6
93.07016	42.4
95.04945	7.0
95.08572	25.2
97.02867	1.7
97.06515	6.2
98.97551	15.9
99.04436	1.6
100.94658	1.4
105.07005	100.0
107.05011	1.3
107.08563	27.5
109.06480	2.4
109.10152	11.8
116.98596	8.8
117.07021	9.2
119.08549	21.3
121.10107	17.3
123.08028	2.0
123.11681	6.8
125.09591	6.4
127.11169	2.6
128.98555	1.6
130.07729	1.5
131.08560	18.8
133.09084	3.0
133.10094	77.3
135.08006	1.3
135.11661	4.7
137.09554	4.8
145.10091	15.6
147.11653	10.7
148.09760	1.3
151.11127	16.5
155.10661	1.5
158.99673	2.6
159.11639	12.6
161.13226	2.0
163.11223	1.5
173.13243	7.1
177.00674	3.2
201.16377	6.2
217.07635	1.4
219.17433	8.0
237.18504	7.8
249.10387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1947
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.00280	2.8
53.03925	2.2
54.01046	1.9
55.05246	3.5
55.05494	78.8
56.96537	3.6
57.03411	3.1
57.07056	4.0
58.49342	1.8
59.00901	1.7
59.04971	2.5
64.32523	1.8
66.95371	1.7
67.05477	26.7
69.03395	13.4
69.07040	22.0
71.04967	54.8
75.92428	1.9
79.05453	23.9
81.03382	2.4
81.07021	71.5
81.73968	2.1
83.04942	38.8
83.08585	8.6
85.06490	4.4
90.25876	2.2
91.05441	33.5
93.07005	59.9
95.04915	26.7
95.08566	26.2
97.06472	17.8
97.10107	2.8
98.97533	11.6
99.08009	3.6
103.65009	2.2
105.06992	68.4
107.08548	33.4
109.06487	14.4
109.10124	30.7
111.08025	4.0
116.98534	2.9
117.06976	10.1
119.08553	20.2
120.15639	1.9
121.04926	2.1
121.10100	53.0
123.08001	4.1
123.11664	17.6
125.09593	13.0
127.11132	16.9
130.07684	2.9
131.08513	22.7
133.10075	100.0
135.07988	3.0
135.11635	20.0
137.09563	4.5
139.11151	13.3
143.08601	3.0
143.10651	4.7
145.10074	25.8
147.11632	18.0
149.02290	9.1
149.09564	3.9
149.13237	10.3
151.11153	36.9
153.12706	15.9
158.99620	2.7
159.11620	19.2
159.62721	3.1
161.13179	3.8
163.11134	4.7
173.13303	3.5
177.00606	2.4
177.12646	2.4
201.16307	16.6
214.08620	2.4
218.95007	2.0
219.17351	17.2
237.18344	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	254.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	5.9
57.03408	8.1
57.07059	1.7
69.03403	2.4
74.01987	3.4
74.02409	100.0
85.02874	17.3
91.05440	47.3
91.23680	1.6
97.02872	3.4
98.97574	2.5
105.03351	2.7
117.06979	35.2
127.03903	2.1
128.06184	3.1
129.06960	53.2
135.08015	58.3
137.86256	1.7
144.08031	30.8
145.04962	8.5
145.06396	15.7
146.09630	13.4
154.06512	7.2
162.09116	16.7
163.05989	3.5
172.07513	56.4
173.05949	7.2
188.92401	10.3
190.08551	43.1
208.09639	28.1
210.24266	2.0
213.00621	2.9
218.08067	9.4
231.01698	2.0
236.09084	7.8
254.10167	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	254.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
54.70650	1.7
55.05242	3.0
55.05494	52.3
56.05025	9.9
57.03414	3.8
57.07048	2.5
58.06579	3.6
65.03906	2.5
67.05481	100.0
69.07043	46.9
70.06213	3.7
70.06567	56.5
75.34629	2.1
79.05459	45.4
81.07028	79.5
82.06552	2.2
83.08585	10.8
84.08111	12.7
85.12114	1.7
86.16719	1.9
91.05459	17.4
91.05942	1.9
93.07004	66.4
95.04938	3.9
95.08575	73.1
96.08104	4.5
97.10120	4.0
105.06963	2.5
107.08564	33.2
109.10156	14.5
110.09667	3.8
111.65970	1.9
121.10089	15.1
124.11194	3.0
135.11670	19.4
136.62253	2.2
140.14316	7.8
149.13208	7.9
219.21045	3.3
236.23653	80.1
254.24683	68.0
260.59128	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62656	12.7
52.64940	14.4
54.80995	18.8
59.80356	13.4
72.89296	14.7
101.40388	15.7
133.54300	15.9
137.04065	15.5
220.31239	18.5
255.06221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2155
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
55.01850	2.6
55.05252	3.6
55.05498	79.4
56.96555	3.2
57.07055	17.7
57.93489	2.5
60.90639	2.0
64.73605	2.3
66.44135	2.2
67.05164	3.0
67.05486	59.7
69.06683	3.4
69.07044	100.0
71.04960	3.3
71.08574	3.5
78.27193	2.1
79.05457	27.5
81.07028	74.6
83.04948	3.2
83.08582	47.3
85.06522	3.4
91.05453	18.6
93.06994	30.5
95.08573	65.3
97.06477	15.5
97.10137	31.6
98.97493	2.9
99.08074	3.2
100.88461	2.7
105.07000	27.7
107.08556	23.6
109.10135	26.7
111.08061	3.2
111.11668	5.9
119.08527	20.5
121.10113	19.2
123.11669	13.5
124.33846	2.2
128.79849	2.6
133.10098	31.5
135.11649	12.0
136.11118	2.6
137.09621	4.6
137.13188	4.3
139.11128	3.0
145.09966	2.8
147.11630	12.2
149.13258	3.9
151.11145	2.8
153.12724	3.7
161.13187	10.9
165.12607	3.1
175.14801	3.1
179.14120	2.9
217.19418	21.4
223.21823	2.6
235.20438	16.4
253.21519	13.9
264.84738	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	254.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80902	1.3
56.96545	3.8
57.03418	8.7
60.01282	1.2
60.01633	1.3
61.02902	8.9
69.03413	2.1
71.01320	9.5
74.02411	100.0
74.72892	1.5
75.04449	19.9
75.62112	1.5
85.02892	2.7
87.04444	7.0
89.02354	2.2
91.05441	43.7
92.08772	1.9
103.03896	16.7
109.96765	1.6
115.05363	2.4
117.06982	37.9
128.06201	3.4
129.06969	52.1
131.03368	2.3
135.08005	60.7
135.08995	2.8
144.08034	32.2
145.06404	14.1
146.09615	9.7
154.06454	7.6
159.02824	44.3
162.09077	11.5
172.07516	54.1
173.05917	10.1
187.02408	3.6
188.92416	6.6
190.08546	43.3
208.09608	24.3
214.43062	1.4
218.08093	7.6
219.04938	49.1
219.06927	2.9
231.01779	2.2
236.09129	8.4
238.82130	1.5
254.10153	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	253.1792
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.00274	2.1
54.56922	1.5
54.80415	2.0
55.05499	15.3
59.04984	3.6
62.52224	1.4
63.01859	1.5
65.03921	1.8
65.86510	1.5
67.05482	81.8
69.07049	16.1
71.04962	63.7
73.06514	3.6
79.05465	17.9
81.07027	58.1
83.04954	10.0
83.08578	2.6
85.06548	2.4
89.05995	3.7
91.05447	14.0
92.08787	3.0
93.07008	49.6
95.04930	76.4
95.08569	22.1
97.06490	2.7
102.00401	1.7
104.97775	1.7
105.06994	45.2
107.08563	72.3
109.06499	4.2
109.10123	100.0
111.08061	7.1
119.08543	39.2
121.06484	3.0
121.10097	44.5
123.08068	2.5
123.11697	3.0
125.09603	26.0
127.11134	2.2
131.08534	10.5
133.10094	14.7
135.11646	33.3
137.09615	2.4
142.07698	2.6
143.08502	2.2
145.10085	21.8
147.08055	2.3
147.11655	55.1
149.09540	4.2
149.13235	4.1
153.12697	25.3
157.10092	3.9
159.11671	4.3
161.09615	2.7
161.13194	4.4
165.09064	2.2
165.12666	3.8
175.11082	2.8
175.14763	7.2
189.16298	18.0
191.17796	3.4
193.15781	7.5
199.14731	6.7
207.17436	3.9
217.15833	18.1
235.16862	25.9
253.17871	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	253.179
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.00284	3.2
53.17788	2.1
54.80671	2.8
55.01859	4.0
55.05492	19.4
56.96541	4.2
57.07058	13.5
59.04972	3.6
60.28405	2.5
61.41347	2.4
64.32369	3.1
67.05482	65.5
69.03402	6.5
69.07046	23.7
71.04966	39.8
73.06557	3.7
78.75046	3.1
79.05466	28.8
81.07027	100.0
83.04951	14.3
83.08594	5.4
85.06490	5.3
86.03635	2.5
91.05453	22.4
93.07013	56.7
95.04930	60.8
95.08575	52.8
97.02874	3.8
97.06513	6.9
98.97548	13.3
100.90498	2.7
105.06992	67.9
107.08566	67.8
109.06476	15.3
109.10118	74.4
111.08056	5.6
116.98580	6.0
119.01913	5.2
119.08547	46.8
121.06460	5.6
121.10104	36.5
123.08042	4.3
123.11685	7.4
125.09581	15.1
129.05444	4.1
129.76421	3.2
131.08549	16.7
133.10097	16.2
134.99683	3.8
135.11679	28.0
137.09593	7.3
139.11124	3.9
143.01904	3.6
143.08641	5.0
145.10062	17.5
147.11641	37.0
149.09631	3.7
149.13219	3.5
153.12715	7.0
159.11681	5.3
161.02916	13.0
161.09561	3.5
161.13191	25.3
165.12750	5.5
170.99646	3.6
174.69220	3.0
174.72119	2.8
175.11108	4.4
175.14801	4.7
177.00735	3.4
189.16356	15.2
193.15826	6.2
217.15910	5.1
235.16867	25.5
248.46019	2.9
250.21983	3.4
253.17923	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	253.1427
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03922	1.9
54.23108	1.4
55.01856	2.6
55.05498	14.2
59.10908	1.6
66.22912	1.5
67.05488	23.3
69.03396	7.4
69.07034	4.1
71.04392	1.4
71.04969	12.7
79.05460	38.2
81.07023	66.7
83.04953	9.8
84.78234	1.5
85.06536	3.1
87.05569	1.6
91.05443	22.7
92.09356	4.9
93.07011	63.5
95.04924	21.6
95.08568	21.2
97.06493	21.5
97.24339	1.6
99.04405	9.7
105.06992	35.9
107.04924	12.0
107.08554	27.3
109.06488	35.3
109.10127	7.9
111.04419	1.7
111.08044	3.9
113.05947	2.7
117.06936	3.7
119.04860	2.3
119.08514	26.4
121.06458	100.0
121.10079	4.0
123.08006	9.5
125.05917	3.1
127.07474	13.2
128.06192	2.1
129.06978	8.2
131.08516	8.0
133.06404	3.0
133.10083	14.4
135.04362	6.9
135.07980	9.8
135.11638	2.1
139.07471	9.0
142.07750	3.2
143.08475	12.0
145.10103	9.6
147.08018	3.0
147.11647	29.0
149.09604	2.3
156.09279	3.5
157.08791	1.8
157.10089	12.9
161.13210	11.7
166.07698	7.9
171.11644	16.6
175.11116	21.2
181.10097	9.1
182.04840	2.3
189.12686	20.7
193.12163	13.3
199.11166	24.1
207.13812	8.7
217.12164	51.7
220.24971	1.8
235.13237	23.2
253.14221	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	253.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
54.81034	0.4
55.01852	2.3
55.05240	0.8
55.05497	15.8
57.03416	7.1
61.02905	11.0
69.03030	0.9
69.03404	24.5
70.09981	0.4
71.04961	2.5
73.02882	2.8
73.06527	57.4
81.03386	9.2
83.01319	0.7
85.02877	100.0
87.04442	1.2
91.03929	2.9
92.16190	0.5
97.02856	20.4
98.03549	0.5
99.04433	3.6
103.03907	0.7
109.02849	8.0
111.67914	0.6
114.35699	0.5
115.03897	0.7
118.03940	0.6
127.03879	15.4
133.92148	0.5
145.04918	10.9
163.05984	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1428
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
52.17142	2.4
52.83133	2.5
53.03899	4.4
55.01847	11.8
55.05489	26.6
57.07053	3.3
59.04968	4.8
65.03914	3.4
67.05477	31.0
69.03397	13.6
69.07040	19.4
71.01356	3.5
71.04952	19.3
77.03909	3.0
79.05453	45.7
81.03371	4.1
81.07023	93.8
83.04944	13.5
83.08572	4.7
85.02881	4.6
85.06512	5.1
90.58150	3.3
91.05447	38.4
93.07011	83.7
95.04916	27.7
95.08567	41.3
97.02833	3.8
97.06493	24.4
98.97554	7.3
99.04433	15.5
105.06999	51.2
107.04902	15.1
107.08556	30.1
109.06481	45.0
109.10112	6.6
111.08038	4.9
116.98534	3.6
117.06973	7.2
119.08524	67.4
121.06461	100.0
121.10110	20.4
123.04362	4.1
123.08028	7.6
123.11642	3.5
127.07500	12.1
129.07014	10.6
131.08516	15.5
133.06461	14.5
133.10072	28.7
135.08006	12.4
137.05952	4.8
139.07481	12.8
142.07748	4.2
143.08519	15.5
145.10063	24.8
147.11630	46.5
149.09575	4.5
151.11197	4.4
156.09348	4.3
157.10063	16.5
159.11656	3.9
161.13176	13.4
163.11116	68.4
165.12727	4.3
171.11635	17.5
175.11147	14.6
177.12718	4.4
181.10083	4.2
189.12677	27.2
193.12134	7.5
199.11130	25.2
205.12027	5.1
207.13750	12.1
217.12158	54.5
235.13216	57.5
241.05121	6.8
245.42303	3.7
253.14201	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	252.2316
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
50.01789	1.0
51.07653	1.1
53.03918	2.5
53.34565	1.1
55.05247	1.6
55.05497	33.1
56.05008	5.8
57.03414	5.3
57.88024	1.1
58.06571	3.0
65.03937	1.6
67.05484	100.0
69.07040	21.0
70.06570	53.9
70.97623	1.1
79.05464	54.2
81.07024	46.8
82.06548	7.0
83.08593	2.7
84.08121	8.6
91.05444	38.2
93.07011	48.6
95.04922	6.7
95.08575	56.8
96.08082	5.2
97.10153	2.5
98.09621	2.0
105.06997	24.9
107.08543	21.9
109.06440	1.3
109.10142	18.9
109.47771	1.3
110.09660	2.9
112.43581	1.3
117.06959	1.2
119.08553	15.4
121.10095	13.3
123.11677	1.7
124.11163	5.9
131.63454	1.6
133.10088	8.3
135.11665	7.4
138.12723	2.2
147.11588	9.3
149.13307	1.6
234.22098	44.2
252.23148	54.6
252.98793	1.6
268.60672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.01855	0.3
56.96523	0.3
57.03416	2.2
59.04985	3.7
59.69463	0.3
61.02911	2.7
62.62622	0.3
69.03411	6.4
71.04941	0.3
73.02890	0.7
73.06526	100.0
81.03389	2.2
83.01277	0.3
85.02877	22.8
87.04434	0.4
91.03883	0.3
91.07549	5.2
92.19305	0.3
97.02864	5.0
98.44019	0.3
99.04440	0.4
107.02890	0.3
109.02866	1.5
127.03898	2.1
134.37560	0.4
142.66470	0.3
145.04965	1.9
240.10007	0.3
244.08492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01315	0.3
55.05490	4.0
56.52053	0.3
56.96527	0.4
64.32648	0.4
68.99769	0.4
81.95732	0.4
83.08584	0.6
87.00800	2.6
91.05443	1.0
93.07014	2.3
98.97535	2.6
103.05431	7.8
107.04928	0.4
116.98579	0.6
118.06491	11.0
120.08059	100.0
128.04935	1.0
131.33736	0.5
136.06122	0.7
146.05954	18.4
156.93295	0.4
166.08516	0.8
188.06976	10.6
189.00705	0.4
192.06493	0.5
206.08049	26.6
219.01727	2.0
234.07658	0.5
237.02792	2.8
252.08560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65320	0.3
55.01846	0.6
55.05495	0.5
56.96540	0.8
57.03420	1.3
61.02900	1.5
63.30792	0.3
69.03400	2.7
70.06567	2.0
72.08125	0.5
73.02895	0.4
81.03401	1.2
82.12698	0.3
82.96130	0.3
84.08106	0.6
85.02879	13.3
86.57609	0.3
88.07600	100.0
89.03908	0.4
97.02861	2.7
98.24767	0.3
98.83797	0.3
105.03356	3.5
105.83644	0.4
109.02843	1.5
112.11238	0.5
116.98610	0.4
117.03332	0.4
127.03861	0.7
135.04350	0.6
145.04837	0.3
147.04390	0.5
163.03857	3.3
171.26677	0.3
176.10736	0.6
177.07797	2.0
192.71611	0.3
194.71028	0.4
206.11693	5.6
233.05040	1.3
233.16605	0.4
249.19511	5.0
250.12505	0.4
250.19852	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	249.1955
Annotation	Matrine
Peak:m/z	Relative Intensity
53.63634	0.3
54.80677	0.3
55.10466	0.2
56.96534	1.5
57.03423	0.5
57.40866	0.3
59.04975	0.6
59.24529	0.3
59.57658	0.2
59.65724	0.3
61.52041	0.2
67.05470	0.3
69.03401	0.7
69.07036	0.6
70.06556	0.5
71.04990	0.3
81.07017	0.3
83.04948	0.5
85.02875	3.0
87.04456	0.4
87.08065	0.6
97.02866	0.7
97.06488	0.3
98.06009	0.4
98.09634	0.5
98.97546	0.6
109.02814	0.4
110.09628	0.5
111.04379	0.6
112.07564	1.4
116.98546	0.5
127.03871	0.6
131.66368	0.3
135.04390	2.2
136.11203	0.5
138.12708	0.4
147.04358	1.3
148.11147	3.6
150.05380	0.9
150.12680	2.5
152.14299	0.4
160.37263	0.3
161.01108	0.6
176.10626	1.2
207.01689	0.5
247.17949	3.7
249.19527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50548	6.2
54.83299	5.7
56.35173	6.1
57.29905	6.0
58.83270	6.7
67.20685	6.9
67.62176	6.5
77.40041	7.2
127.56558	8.5
155.77960	7.7
174.99730	8.0
178.83899	8.1
249.03629	100.0
264.74515	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	249.1117
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03935	1.3
56.96537	7.6
57.03397	1.8
65.88792	1.0
67.05481	1.6
67.18980	1.2
69.03401	8.4
69.07027	1.2
70.23977	1.0
73.02895	1.3
79.05463	2.7
81.03364	2.0
81.07016	2.1
85.02865	6.5
87.00826	1.8
89.03875	1.5
91.05435	16.0
93.07016	1.9
95.04913	2.3
97.02853	1.4
98.97575	1.6
103.05431	1.3
105.01783	1.4
105.03334	1.3
105.06977	5.2
107.04922	4.2
107.08611	1.2
115.05399	10.3
116.06191	7.7
116.98560	1.3
117.06961	9.6
119.08535	1.4
123.04371	2.6
128.01237	1.7
128.06158	18.1
129.06075	2.3
129.06960	40.6
130.07724	1.3
131.04874	2.8
131.08517	34.0
132.05695	1.9
133.06442	2.4
133.10075	2.2
135.04369	2.7
141.06950	20.3
142.07704	12.0
143.08499	7.1
144.05667	21.2
145.02852	1.5
145.06477	9.6
146.07233	7.9
147.04362	2.4
152.06096	1.7
152.77292	1.3
153.06892	2.8
155.06018	2.3
156.05629	2.8
157.06427	23.0
158.07207	6.8
159.04356	1.6
159.07994	57.0
161.05928	6.4
161.09573	13.0
163.03824	13.0
169.06306	1.6
169.07545	5.3
170.07213	19.3
171.07983	9.6
172.05127	4.7
173.05922	8.5
174.06683	5.7
175.07487	5.2
178.06206	1.6
185.05896	1.7
187.07462	28.4
189.05429	8.9
189.09041	13.3
191.07001	1.4
198.06718	2.0
199.07466	1.6
201.05444	2.6
203.06955	12.2
204.07733	21.4
205.08527	2.1
206.09317	1.3
213.00499	1.2
215.96080	1.3
216.07736	6.2
218.09392	1.6
221.08046	1.7
231.01601	2.3
231.10132	9.3
249.02769	2.2
249.11121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1687
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.03773	0.8
55.05487	5.0
55.28056	1.0
59.31395	1.1
63.97993	1.3
64.32526	1.0
67.05477	2.7
69.07041	7.2
74.77416	1.2
79.05466	2.0
81.07026	8.0
83.04955	1.0
83.08563	1.1
91.05451	6.3
92.09301	2.3
93.07018	11.9
95.08595	8.1
105.07011	11.6
107.08562	12.2
109.10108	2.1
117.06975	5.8
119.08542	25.9
121.06470	1.6
121.10081	6.1
131.08534	16.4
133.10091	19.4
137.05936	20.0
144.09294	1.5
145.10080	29.2
147.11630	6.5
151.07516	1.7
157.10098	1.8
159.11620	24.6
161.13179	2.5
163.07462	1.4
171.11641	1.5
173.13196	8.6
186.14000	13.5
199.14703	1.3
201.16316	100.0
203.17892	2.0
219.17395	1.6
246.15479	1.8
247.16920	17.3
260.14383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05496	22.8
57.07055	4.5
58.23649	1.9
61.06105	1.7
62.60825	1.4
67.05477	12.8
67.47203	2.1
69.07038	11.6
76.14066	2.2
76.54603	1.7
79.05457	12.3
81.07034	15.6
83.08595	4.2
91.05445	33.6
93.07006	41.3
95.08567	37.4
99.45577	1.7
103.05447	2.2
105.06995	60.1
107.08558	47.3
109.06482	3.7
109.10123	9.7
115.05412	1.9
117.07001	15.9
119.08540	70.9
121.10120	14.5
129.07002	2.2
130.07770	2.7
131.08531	66.1
133.10089	100.0
135.04376	1.9
141.89806	1.8
143.08563	3.3
144.09306	3.9
145.10077	59.0
147.11633	11.7
149.05997	3.4
149.09610	3.8
157.10085	8.9
158.10864	1.9
159.08031	10.8
159.11632	61.9
159.12956	2.4
161.13190	8.4
163.07472	10.6
165.09027	2.7
171.11613	2.9
173.09584	4.1
173.13174	23.3
177.09055	60.3
187.11102	3.3
201.16324	93.1
203.17841	10.4
219.17455	3.4
229.15823	11.9
247.13068	3.6
247.16843	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	247.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03773	0.8
55.05487	5.0
55.28056	1.0
59.31395	1.1
63.97993	1.3
64.32526	1.0
67.05477	2.7
69.07041	7.2
74.77416	1.2
79.05466	2.0
81.07026	8.0
83.04955	1.0
83.08563	1.1
91.05451	6.3
92.09301	2.3
93.07018	11.9
95.08595	8.1
105.07011	11.6
107.08562	12.2
109.10108	2.1
117.06975	5.8
119.08542	25.9
121.06470	1.6
121.10081	6.1
131.08534	16.4
133.10091	19.4
137.05936	20.0
144.09294	1.5
145.10080	29.2
147.11630	6.5
151.07516	1.7
157.10098	1.8
159.11620	24.6
161.13179	2.5
163.07462	1.4
171.11641	1.5
173.13196	8.6
186.14000	13.5
199.14703	1.3
201.16316	100.0
203.17892	2.0
219.17395	1.6
246.15479	1.8
247.16920	17.3
260.14383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1687
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05495	24.9
56.90915	1.4
57.07057	3.2
65.50629	1.6
67.05491	11.0
69.07056	9.7
70.77937	2.1
79.05474	10.5
81.07025	12.9
91.05453	26.0
91.05959	2.3
93.07009	46.8
94.33106	1.8
95.08584	25.4
96.64426	1.8
97.10074	1.9
105.06295	2.7
105.06998	66.0
107.07870	3.8
107.08554	47.4
109.10142	7.6
111.98043	1.8
116.06190	2.0
117.06963	16.0
119.08538	68.1
121.10100	13.6
129.07018	6.4
130.07756	1.9
130.26633	1.7
131.08517	64.8
133.06458	1.8
133.09076	3.5
133.10089	100.0
135.08044	3.1
135.11597	2.2
139.07510	3.2
143.08519	3.8
145.10069	56.5
147.11658	10.9
149.05968	2.0
149.09592	7.8
157.10083	10.1
158.10878	4.3
159.08005	9.6
159.11636	52.9
161.13191	9.2
163.07538	10.9
171.11604	3.7
172.12398	3.7
173.09566	3.6
173.13255	24.8
175.14806	2.8
177.09058	53.9
186.13991	3.7
187.11115	2.6
187.14804	2.3
189.96741	1.9
191.10655	3.1
191.93414	1.7
201.16325	82.7
203.17979	9.3
229.15826	11.6
229.23468	1.9
247.16925	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.6
55.01851	3.6
55.05491	9.2
56.96550	31.9
57.03428	7.1
58.06568	4.0
58.10144	1.7
60.04509	4.4
60.08130	2.0
61.02890	7.8
62.74103	1.6
67.05470	2.3
68.05027	1.7
69.03390	8.6
69.07047	3.0
70.02926	1.7
70.06568	8.5
70.98116	2.7
71.04963	4.3
72.08130	23.5
73.02882	3.3
74.33600	1.6
81.03377	3.1
82.06541	15.9
83.04961	2.6
84.04493	3.1
84.08118	15.3
85.02876	27.3
86.03506	4.2
86.09686	30.7
92.09256	2.5
97.02853	11.7
98.06030	3.5
98.97549	17.0
99.04421	4.8
100.07603	2.9
101.00833	31.6
103.02487	1.9
110.06010	2.7
112.05061	4.0
112.11198	2.2
116.98564	9.2
117.10192	16.3
119.01876	100.0
121.01609	2.8
126.05466	10.4
127.03830	3.5
128.07053	11.5
130.12268	4.2
131.01866	13.1
133.03427	12.2
134.99620	2.3
137.02921	18.0
143.00154	4.0
143.01871	4.2
144.99806	3.7
145.03407	7.3
146.99606	3.3
148.05962	2.3
156.10181	2.1
157.03412	8.4
157.80289	2.2
159.01343	3.3
160.04663	3.7
161.01216	7.7
161.02827	6.2
162.99130	2.9
163.04503	3.2
168.99832	2.0
171.01285	3.5
173.02940	3.4
175.04425	8.5
177.00655	8.5
181.00093	1.8
183.07672	3.6
183.09813	2.1
187.00871	15.5
189.02394	2.3
191.03758	2.2
201.02391	9.4
201.15944	11.5
215.00275	17.9
219.03426	11.8
221.04994	3.0
223.01248	2.7
228.12410	2.2
229.03162	13.0
229.08078	10.9
229.12457	2.6
246.13155	13.7
247.04253	42.3
247.07936	21.3
247.13641	8.6
247.16476	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	247.012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79330	0.2
55.01856	0.5
55.05493	0.6
56.96548	100.0
57.03417	1.6
59.77602	0.2
61.02902	1.3
65.03900	0.3
67.05491	0.5
69.03407	4.2
69.04547	0.2
69.70319	0.2
70.06558	0.4
70.11283	0.3
70.98093	10.0
71.95251	0.6
72.08132	1.8
73.02901	0.7
74.97569	7.6
81.03387	1.4
83.04971	1.6
84.04478	0.5
84.08089	0.3
84.96006	5.8
85.02884	3.1
85.06510	0.4
86.09698	0.7
86.57005	0.3
86.97573	1.9
88.99121	7.6
91.05423	0.4
92.98617	1.5
95.04942	1.2
97.02834	3.1
98.97545	10.3
100.07639	0.4
100.99113	2.9
102.01582	0.3
102.05547	0.4
102.97057	1.1
107.00130	3.3
107.01830	1.2
109.02869	0.4
110.97526	2.6
111.02036	0.5
111.04443	0.7
112.11157	0.3
112.95506	0.4
115.00683	0.4
116.01282	0.5
116.98576	7.1
117.10220	0.3
119.00137	4.2
119.01909	0.4
120.02533	1.1
121.01588	0.3
123.04439	0.5
124.02783	0.4
124.99096	1.1
125.01199	0.3
126.96953	0.6
127.03922	1.2
128.02269	0.3
128.54318	0.3
128.98573	5.5
129.03090	1.6
130.12254	0.4
130.96555	1.9
131.00133	0.6
133.01692	2.3
134.99620	4.9
135.04419	1.9
137.05974	0.5
138.03581	0.6
139.02750	0.3
139.03867	0.5
143.00127	5.0
144.98044	15.5
145.01718	1.2
146.99603	6.5
147.03180	0.3
148.97559	5.1
149.01233	1.5
151.02782	1.2
152.48444	0.3
153.00723	0.5
158.99599	2.1
159.03366	0.4
160.99171	0.4
161.01157	12.5
162.99086	28.5
163.02765	3.2
163.03944	2.1
165.00723	0.5
166.98621	3.0
167.02258	0.4
171.04140	0.4
172.95343	0.4
174.99174	0.4
177.00645	2.9
177.04196	0.5
179.02222	3.7
181.00128	16.7
186.00665	0.4
186.99100	0.7
189.00684	0.4
191.02280	0.7
193.00217	0.6
194.95438	0.3
195.01762	0.5
197.03116	0.4
199.01183	3.1
203.02168	0.3
205.00119	9.8
205.01944	0.4
206.03369	0.4
211.02838	1.4
219.01883	0.5
221.03304	0.4
223.01175	30.1
231.01743	0.4
237.02827	0.4
239.04265	2.8
241.02202	6.2
246.02875	0.4
247.01299	1.5
247.04312	0.3
247.06654	1.3
249.02885	0.5
257.05490	0.6
265.02390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80937	0.8
55.05251	1.2
55.05494	25.0
56.91602	0.6
57.03405	4.7
57.07042	3.2
58.06579	8.4
58.59203	0.7
60.02431	0.7
67.05478	24.2
69.06693	0.8
69.07042	23.9
70.06214	1.2
70.06562	22.6
79.05444	1.4
81.07020	32.0
83.08591	8.8
84.08092	1.8
85.79752	0.7
89.97592	0.7
93.07015	0.9
95.08565	28.8
97.10128	7.3
109.10120	14.4
111.11673	1.1
114.19286	0.8
123.11653	4.7
128.14281	1.2
137.13249	0.8
146.33768	0.8
197.81326	0.8
210.22096	100.0
228.23132	40.6
246.24182	47.9
246.26738	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51661	0.1
54.80638	0.2
55.05486	0.5
65.03912	2.3
65.49816	0.2
65.94308	0.2
67.05463	0.5
70.06567	0.4
70.55693	0.2
72.93724	0.2
79.05454	0.4
81.07007	0.4
91.05446	100.0
93.06993	0.3
95.08576	0.7
105.89280	0.2
120.02036	0.2
121.02829	1.9
124.06020	0.2
149.02284	0.4
153.06964	0.3
167.03334	13.2
167.04767	0.4
208.20535	0.2
227.06956	3.4
244.22549	0.2
245.07854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0802
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
53.51661	0.1
54.80638	0.2
55.05486	0.5
65.03912	2.3
65.49816	0.2
65.94308	0.2
67.05463	0.5
70.06567	0.4
70.55693	0.2
72.93724	0.2
79.05454	0.4
81.07007	0.4
91.05446	100.0
93.06993	0.3
95.08576	0.7
105.89280	0.2
120.02036	0.2
121.02829	1.9
124.06020	0.2
149.02284	0.4
153.06964	0.3
167.03334	13.2
167.04767	0.4
208.20535	0.2
227.06956	3.4
244.22549	0.2
245.07854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0802
Annotation	4-methoxy-6-[(2R,3S)-3-phenyloxiran-2-yl]-2H-pyran-2-one
Peak:m/z	Relative Intensity
50.35611	0.2
52.77839	0.2
56.90023	0.2
63.43085	0.2
65.03918	1.9
73.14547	0.3
74.06096	0.2
79.05485	0.3
91.05443	100.0
92.09310	0.3
95.04955	0.3
105.03373	0.3
107.04916	4.7
113.93965	0.2
121.02805	0.4
121.10050	0.2
128.06122	0.3
133.02806	1.3
137.02318	0.4
143.08539	0.3
149.02328	0.5
151.03847	5.1
152.06190	1.3
153.06961	3.4
167.03345	0.6
199.08804	0.3
227.06940	8.2
245.08145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37708	2.9
56.96560	3.2
57.03418	3.9
62.06064	18.7
65.29035	3.0
69.03388	6.5
69.04540	3.6
70.06572	21.2
71.08183	3.5
81.03410	3.9
84.04476	5.9
84.08096	5.6
85.02863	8.5
87.04477	4.3
93.41850	3.1
97.02810	6.6
98.97552	7.1
99.07667	3.3
99.30637	3.5
101.00909	3.7
112.05058	100.0
113.05391	7.7
116.07050	4.3
119.01885	23.5
133.03391	4.3
159.04909	4.3
163.04492	3.6
223.06587	3.5
261.74634	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	244.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.7
56.05008	0.7
57.07043	4.7
58.06287	1.0
58.06577	29.8
65.95959	0.6
69.07041	8.5
71.07343	2.9
71.08586	0.8
72.08121	10.6
81.19224	0.7
83.08559	4.8
84.08190	0.6
92.09370	0.8
97.10146	1.6
134.14851	0.7
194.84821	0.8
202.92636	0.7
226.25208	100.0
244.26250	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	244.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18189	0.5
55.05496	8.9
56.28632	0.6
57.07063	5.2
58.06579	29.4
63.31463	0.6
69.07043	11.5
71.07347	1.5
71.08582	1.4
72.08136	10.6
74.16499	0.5
75.79103	0.5
76.36205	0.7
77.98385	0.6
83.08580	3.7
84.08120	1.1
85.10158	0.9
97.10134	1.5
226.25212	100.0
231.07904	0.7
244.26260	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	244.2266
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
51.39627	0.9
53.69089	0.7
54.45023	0.8
55.05488	6.1
57.03416	3.7
57.07060	47.0
58.06591	6.5
61.79213	0.8
63.02884	0.8
67.05484	28.2
69.07052	11.0
70.06567	2.2
71.04967	7.4
79.05451	4.2
81.07030	14.2
82.20639	0.9
83.08588	3.5
85.06515	32.7
91.05460	1.7
92.62992	0.9
93.07028	7.3
95.08575	8.3
105.58643	0.9
107.08558	8.0
109.10123	18.7
113.09615	1.7
121.10133	4.2
123.11655	0.9
127.11255	1.0
135.11671	5.7
149.13211	1.4
185.38451	1.0
191.17873	7.0
208.20569	1.8
208.91753	0.9
209.18874	1.5
209.46526	1.1
226.21593	100.0
244.09590	1.7
244.22639	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47449	0.6
55.05501	6.7
55.08344	0.7
57.03165	0.6
57.03422	5.8
57.07059	41.3
58.06577	3.9
67.05484	25.8
67.05819	0.6
69.07047	12.6
70.06564	2.8
70.95866	0.6
71.04971	7.6
79.05468	7.2
81.07019	12.6
83.08591	4.3
84.09369	0.7
85.06516	38.5
93.07024	6.6
95.08575	11.9
97.10162	1.2
107.08559	7.9
109.10123	18.4
113.09596	3.1
121.10107	3.2
123.11649	1.0
125.13203	1.5
135.11671	5.8
139.14813	1.0
139.36751	0.6
149.13229	1.7
163.79335	0.7
173.13730	0.7
191.17906	5.6
208.20549	3.3
209.18997	2.9
226.21590	100.0
244.09520	3.7
244.22621	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0857
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03934	2.1
55.01850	1.2
56.96543	6.4
58.74246	0.9
61.02896	9.8
61.85121	1.0
65.03910	7.0
67.05479	5.0
68.58909	1.2
79.05465	7.1
81.07040	8.3
81.99472	1.0
82.04166	2.0
85.02897	2.9
88.80392	1.1
89.03886	2.2
91.05447	17.1
93.03397	1.5
95.04921	17.9
97.06528	2.1
98.97551	2.2
103.25410	1.1
105.03374	4.7
107.04918	11.1
108.02048	1.5
109.06490	14.5
110.03645	6.8
111.04402	1.6
119.04908	6.6
123.04397	15.1
125.02316	6.5
125.05925	1.5
133.02806	10.7
135.04390	8.1
137.05939	21.9
140.04645	100.0
145.02823	1.3
147.04388	4.6
149.01181	5.7
152.04619	5.1
153.05446	5.1
155.06979	40.0
163.03853	15.8
165.05402	13.9
167.02295	1.6
171.06511	8.3
173.05925	1.7
173.08025	1.7
179.07002	7.1
180.04129	14.2
181.04903	55.8
184.03584	1.6
193.04898	11.8
195.06496	8.6
197.05959	2.7
197.08081	2.9
207.06476	14.4
225.07495	10.5
243.08577	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	243.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47536	1.2
53.03934	11.7
55.01855	4.3
55.05497	11.3
56.52636	0.9
57.03416	22.6
57.61714	1.0
60.34064	0.9
60.39832	1.0
60.61245	0.9
61.02910	2.0
65.03912	0.9
67.05476	5.3
69.03402	64.3
69.07035	7.1
71.01327	2.5
71.04967	5.4
73.02895	2.2
79.05458	35.4
81.03380	19.5
81.07024	100.0
83.04955	10.8
83.08575	1.3
85.02879	30.3
85.06490	1.4
87.04444	1.4
91.05444	7.1
93.07002	11.6
95.04939	8.5
95.08562	5.7
97.02850	14.3
97.06522	4.0
99.04424	7.0
99.08056	7.6
105.06979	7.0
107.04895	1.2
107.08567	7.3
109.02859	6.8
109.06486	6.9
109.10101	1.6
111.04436	1.7
111.08020	2.4
115.03951	1.2
119.04902	1.1
119.08524	2.4
121.06453	2.5
121.10103	2.2
123.04383	1.3
123.08033	5.3
127.03879	21.9
129.05386	1.4
130.58929	1.2
131.08510	1.1
137.05896	1.3
137.09583	1.9
145.04930	2.4
147.04369	4.6
147.08081	2.7
149.09538	1.6
161.09569	1.4
163.03871	1.5
165.09018	2.0
179.10628	1.8
204.14552	1.2
225.11180	1.6
233.05083	1.7
243.12169	2.3
256.37006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1586
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
50.65835	0.5
53.03926	1.1
55.01604	0.7
55.01858	15.2
55.05495	15.5
56.96534	0.9
57.03415	1.2
57.07044	3.4
59.04964	3.3
61.02916	0.6
67.05153	0.9
67.05483	14.8
69.03400	5.1
69.07047	18.8
71.04970	6.2
73.06534	1.0
79.05013	0.7
79.05463	17.1
80.07082	0.6
81.07029	63.3
83.04958	4.1
83.08598	10.6
83.38525	0.6
85.06498	6.3
87.04446	1.5
91.05450	18.4
93.07011	100.0
95.04935	19.5
95.08572	21.5
97.02866	0.7
97.06493	23.2
97.10132	0.9
99.04430	1.1
99.08073	1.5
105.06997	25.0
107.04909	0.7
107.08562	51.3
109.06490	17.7
109.10120	6.7
111.08050	29.5
113.05973	0.8
113.09640	0.9
117.06933	2.9
119.08550	15.3
121.06456	4.3
121.10096	6.9
123.08021	8.1
123.11662	36.6
125.09586	7.5
127.07518	0.9
133.10057	1.5
135.08011	18.3
135.11652	0.8
137.09567	0.9
137.13206	7.8
139.11177	1.0
141.67229	0.7
145.10066	2.6
147.08006	1.4
147.11656	28.2
151.07483	1.2
153.09062	3.5
155.14357	1.0
156.09322	0.9
161.13196	6.9
162.00941	0.6
165.12700	36.8
169.08522	8.9
171.11621	2.9
183.13750	81.5
189.12691	7.2
207.13724	23.2
225.14790	26.9
239.09464	1.1
243.15831	3.6
245.49692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87109	0.3
56.96550	2.8
57.03411	1.3
59.82902	0.2
60.36049	0.2
73.02882	0.6
74.03654	0.3
81.03362	1.0
82.01421	1.7
82.99814	0.4
87.11900	0.3
89.45348	0.3
90.37142	0.3
92.08718	0.4
98.97546	6.2
98.98461	0.6
100.02454	9.1
101.00834	10.4
101.97159	0.6
102.96811	0.6
109.02840	0.5
116.98588	6.7
118.03474	5.7
119.01876	100.0
120.01979	2.0
121.01584	0.5
121.02352	0.4
124.02417	0.6
128.99094	0.3
130.01207	0.3
134.99615	4.7
135.25092	0.3
135.99899	0.4
137.02910	60.6
137.99612	0.6
138.03014	0.7
138.51598	0.3
142.03461	16.2
143.03601	0.7
145.98598	1.4
149.99649	2.1
153.00670	0.8
155.99602	0.4
156.97453	3.9
157.47421	0.5
157.49423	4.2
157.97409	0.7
157.99535	1.8
158.97159	0.4
160.04489	8.3
161.02898	16.8
161.04347	0.7
161.96375	0.6
161.99681	1.5
166.97816	1.5
166.99142	7.7
167.49199	2.8
169.49362	3.1
169.97273	1.1
169.99461	1.9
170.96901	0.5
171.00107	2.7
172.95157	0.5
173.96423	1.7
174.98508	5.3
176.98169	1.3
177.00800	0.7
177.46346	0.4
177.97792	0.8
178.01001	3.8
178.48045	1.3
178.49928	21.7
178.97803	1.1
179.00021	9.0
179.03938	34.2
179.49794	1.4
179.97914	1.4
179.99275	2.2
180.49487	0.5
182.50943	0.4
182.96901	3.3
183.46991	0.4
184.04503	1.5
184.95340	0.4
185.96939	2.2
186.46977	0.4
187.46925	0.4
187.50166	0.4
187.96304	0.7
190.00394	1.4
190.48102	0.5
190.50417	0.5
190.97842	0.5
191.97455	1.2
193.95815	1.4
194.45895	0.4
196.96584	0.5
196.98264	0.5
197.47285	1.6
197.99141	5.8
202.05544	2.2
202.48030	0.3
202.99690	0.4
203.03925	0.4
203.97499	1.2
205.95659	1.1
206.45633	0.4
206.47351	0.6
206.97202	0.7
208.96492	0.6
209.47603	0.6
209.97098	0.4
214.96638	6.4
215.95746	1.6
217.97157	0.7
218.47791	2.8
218.97845	2.3
219.01920	0.7
220.02036	4.5
221.01933	2.2
221.04929	2.7
229.49541	0.4
229.97104	1.6
230.48666	0.5
230.94113	1.4
232.96597	2.2
233.96558	1.7
234.96564	0.4
237.96780	0.4
238.97508	1.4
244.02063	0.6
254.94208	1.3
256.96710	1.8
258.96289	0.4
262.03098	10.6
263.02844	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	242.1533
Annotation	Acutine
Peak:m/z	Relative Intensity
52.36243	0.1
56.05010	0.4
60.00891	0.1
65.03915	1.1
74.06061	1.5
91.05444	100.0
92.08708	0.2
105.07006	1.3
107.04907	0.2
108.05271	0.2
119.04887	0.7
120.05244	0.7
127.49900	0.2
132.08043	0.3
134.09639	1.2
136.33908	0.2
148.04720	0.2
150.09097	3.3
165.06891	0.6
166.07693	1.5
167.67278	0.2
181.10033	5.0
242.15305	16.5
242.20915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89823	1.0
51.04631	1.2
55.05492	20.7
56.05007	8.7
56.31011	1.1
57.03418	5.2
57.07043	3.3
58.06583	57.2
62.00455	1.2
67.05482	28.1
69.07047	16.8
70.06567	9.5
71.07342	13.1
72.08120	7.6
81.07020	22.6
83.08578	7.8
84.08116	36.8
95.08569	18.8
96.01314	1.3
97.10137	6.0
98.09635	6.9
98.97552	5.3
99.97878	2.4
109.10137	11.4
116.98596	5.5
117.88010	1.3
121.70321	1.4
128.14336	2.1
142.15851	6.5
207.31131	1.5
224.23662	100.0
242.24702	76.8
242.28374	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	243.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10063	0.3
54.81274	0.5
56.65054	0.4
56.96534	2.1
63.99527	0.4
69.39060	0.4
79.22518	0.5
98.97543	8.2
99.97830	0.6
100.83671	0.4
100.97161	0.9
101.00835	2.8
116.98568	8.5
118.98212	1.5
118.98949	0.5
119.01881	22.0
124.59132	0.4
134.99622	6.0
136.99193	0.7
137.00117	0.5
137.01971	0.6
137.02919	8.2
142.03465	2.0
153.00807	2.0
158.99829	0.6
160.04495	4.8
177.00893	40.0
178.01035	0.8
178.05504	1.8
190.95386	0.5
193.04021	0.6
195.01842	0.7
201.00787	0.9
217.03992	4.6
219.01936	37.9
220.02129	3.8
225.00800	0.9
243.01857	4.2
250.46527	0.5
261.02972	100.0
262.03220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.2
55.05499	2.5
56.96549	4.6
57.03401	0.9
58.06579	24.7
59.01834	0.2
60.04457	0.2
61.02895	0.5
66.18094	0.2
69.03403	1.9
70.06559	3.7
70.98080	0.3
71.04959	1.0
72.08106	0.3
73.02863	0.4
81.03364	1.1
82.08703	0.2
82.47259	0.2
83.04947	0.5
84.08110	13.6
85.02871	2.8
85.06501	0.2
85.64456	0.2
97.02855	1.3
98.06046	0.3
98.09657	1.8
98.97543	23.9
99.04413	1.4
99.05073	0.2
100.11204	0.4
113.02322	0.4
114.05479	0.5
114.35734	0.2
115.03850	0.2
116.07058	0.4
116.98576	20.8
119.01865	2.6
120.01988	0.3
126.05478	0.5
126.09142	0.4
127.03897	1.9
128.02283	0.2
128.10661	5.5
131.01904	0.3
133.01691	0.3
133.03381	0.4
134.05959	1.1
134.99611	10.8
140.00153	0.4
143.01843	1.5
144.10139	1.2
145.01567	0.3
145.03432	0.4
145.04860	0.5
146.99536	0.3
147.04779	0.3
152.07014	0.9
153.00670	1.7
156.97453	0.5
158.01149	2.0
158.08110	0.3
158.99609	1.0
161.02875	1.6
162.03000	0.3
163.04391	0.6
164.07008	6.2
168.10161	1.3
174.83282	0.2
174.98575	1.2
175.02759	0.5
175.98526	1.0
176.02272	0.4
176.98146	0.2
177.00626	3.5
193.00240	0.3
195.01691	2.6
196.09616	7.4
201.02361	0.2
213.15907	0.5
217.99702	0.2
221.05023	0.3
234.55003	0.2
237.94498	0.2
241.15376	100.0
242.15709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52052	0.3
56.96539	0.3
58.06580	27.1
62.20475	0.3
66.24440	0.3
70.06566	4.3
80.31068	0.3
81.03371	0.7
84.08111	15.4
85.02852	0.6
98.06023	0.5
98.09659	2.4
98.97536	1.4
100.11210	0.5
114.05489	0.3
116.98529	0.7
126.05493	0.4
126.09153	0.4
128.10674	6.3
144.10146	1.9
158.43765	0.3
168.10165	1.7
196.09637	8.2
213.15918	0.4
241.15378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.154
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.56148	0.2
55.05507	0.2
56.96536	0.6
57.07048	0.2
58.06578	27.0
64.32561	0.2
70.06564	4.0
71.04919	0.3
72.08096	0.4
73.02891	0.2
75.10777	0.2
75.32741	0.3
81.03364	0.5
84.08109	15.0
85.02838	0.4
95.15479	0.2
95.28622	0.2
97.02869	0.4
98.06020	0.4
98.09644	2.4
98.97540	9.1
100.11201	0.4
116.07043	0.4
116.10651	0.4
116.97754	0.3
116.98582	7.3
126.05436	0.4
128.10652	5.1
134.99612	3.1
144.10147	1.8
158.01265	0.5
164.05115	0.3
164.07001	0.4
168.10191	2.0
176.02251	0.4
177.00597	0.5
184.21179	0.3
195.01791	0.3
196.09625	7.3
213.15936	0.6
241.15373	100.0
242.15788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1999
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.73289	2.2
54.80260	2.4
55.05494	44.1
57.03431	2.9
57.07058	17.4
59.04979	14.7
62.25730	2.3
67.05470	18.5
69.07040	43.2
71.04970	17.1
79.05450	13.8
81.07029	79.9
83.08593	16.7
85.76402	3.1
91.05449	12.2
93.07011	46.7
95.08561	62.4
97.06512	3.0
97.10130	6.3
105.07001	23.9
107.08562	81.4
109.10130	38.1
111.08073	3.3
111.11691	3.3
113.62535	2.6
119.08543	43.3
121.10093	18.3
123.08100	3.0
123.11655	32.7
125.09595	6.6
127.11175	3.4
133.10100	31.2
135.11646	100.0
137.13203	24.0
139.11104	5.4
139.42848	2.7
143.10619	6.3
145.10132	4.0
147.11670	14.7
149.13228	4.9
151.11154	3.8
161.13200	11.5
163.14838	4.9
175.14767	3.4
177.16336	4.1
189.75677	2.9
203.17871	28.8
220.56837	2.8
221.18912	21.3
223.87131	2.8
239.09120	3.2
239.20000	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	240.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81903	0.3
54.15768	0.3
61.35697	0.3
67.82302	0.3
101.00829	0.7
114.36390	0.4
119.01854	2.5
120.95312	0.5
138.96342	4.2
154.94113	0.4
156.97421	89.9
161.07129	0.4
164.96321	0.5
168.97490	0.4
172.95134	0.5
173.96793	0.5
174.98468	100.0
176.98956	0.5
179.99033	3.4
180.97261	0.5
185.96873	0.5
195.03326	0.4
197.99988	3.7
198.98457	19.4
216.01120	1.6
216.99512	58.5
225.95177	0.5
240.01105	1.8
262.61276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1998
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.98066	1.7
52.54760	1.6
53.03939	2.0
55.05281	2.4
55.05496	40.5
57.07051	13.9
57.21026	2.2
59.04978	20.2
59.47076	1.7
62.10146	1.9
65.41322	1.7
67.05480	17.7
69.07040	32.8
71.04955	14.7
79.05448	16.3
81.07025	70.5
83.08585	20.6
85.06548	2.5
91.05437	16.3
93.06999	43.9
95.08566	62.5
97.06499	8.1
97.10123	10.2
101.47433	2.0
105.06976	18.1
107.08553	89.7
109.10118	35.0
111.08055	3.1
111.11695	8.4
119.05987	2.1
119.08543	33.0
121.10101	21.2
122.77991	1.9
123.11643	32.9
125.09569	10.3
127.11169	3.0
128.53377	1.9
133.10091	24.3
135.11639	100.0
137.13203	37.2
139.11153	8.5
143.10623	3.8
145.10045	3.6
147.11661	20.5
149.13228	8.9
151.11128	3.0
159.11662	2.0
161.13190	11.3
163.14752	9.3
203.17908	33.8
221.18953	21.0
239.19994	10.8
247.45193	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1999
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03944	1.7
55.05499	29.1
57.07051	12.6
59.04976	10.5
63.76476	2.6
67.05501	15.4
67.18393	1.9
69.07043	28.5
71.04956	15.8
79.05464	17.6
81.07025	100.0
83.08588	14.4
85.06485	3.7
91.05455	11.2
93.07005	52.0
95.08571	55.1
97.06497	3.3
97.10123	14.0
99.08011	3.7
104.92980	2.2
105.06995	35.8
107.08559	75.2
109.06506	2.6
109.10133	34.2
111.11661	11.8
119.08541	53.6
121.10096	18.4
123.11676	26.9
127.11115	8.6
131.39027	2.4
133.10097	23.6
135.11646	79.7
137.13223	21.3
139.11153	2.7
147.11699	19.6
149.13246	9.6
161.13222	11.2
163.14828	4.5
192.84000	2.1
193.19417	2.9
203.17856	37.2
221.18947	27.8
239.19997	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	239.2
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.37289	1.9
50.37572	1.9
50.63449	1.9
55.05500	28.5
57.07050	10.5
58.45269	2.1
59.04978	5.9
62.62409	2.0
62.72157	2.0
67.05485	22.6
67.10286	2.2
69.06736	2.9
69.07048	49.1
70.67176	2.2
71.04974	18.6
79.05463	20.4
81.07028	100.0
83.08587	13.5
85.06527	4.7
91.05437	13.9
93.07008	56.1
95.08576	63.8
97.06488	5.3
97.10136	9.5
99.08038	9.6
100.34284	2.3
105.07011	35.4
107.08565	78.8
109.10124	33.1
111.08030	3.7
111.11671	22.0
115.36509	2.7
119.08539	51.5
121.10078	22.1
123.11682	25.6
125.09525	3.0
127.11145	4.4
133.10098	26.8
135.11641	62.4
137.13188	13.4
139.11169	2.7
145.10129	2.4
147.11613	22.9
149.13239	19.8
161.13203	11.6
174.56369	2.2
198.18431	19.0
203.17920	26.0
221.18974	26.8
239.08852	22.2
239.19995	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	237.1843
Annotation	Sirenin
Peak:m/z	Relative Intensity
54.00342	2.5
55.05496	33.8
66.90923	3.2
67.05473	14.3
69.03397	24.0
69.07040	18.5
71.04965	54.4
74.65746	2.8
79.05459	23.6
81.07024	100.0
81.31247	3.0
82.68008	3.5
83.04946	6.7
83.08601	5.0
85.06473	3.1
86.16953	2.9
91.05463	16.9
93.07004	40.4
95.04900	12.3
95.08573	25.6
99.08061	7.7
105.07005	49.3
107.08572	31.0
109.06496	21.1
109.10129	32.8
117.06995	4.4
119.08530	23.0
121.10107	28.8
123.07999	6.3
123.11674	22.6
125.09683	4.0
127.11120	33.5
131.08543	7.7
133.10097	63.1
135.11617	15.6
145.10092	16.7
147.11620	11.7
151.11156	47.9
155.10602	5.3
159.11647	16.4
161.13237	4.4
180.97964	3.7
201.16296	4.6
213.97581	2.9
214.80574	3.2
219.17299	15.6
237.15974	4.2
237.18445	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	238.1068
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
50.82463	0.4
52.95975	0.4
56.96549	9.7
57.03404	0.8
67.05479	0.6
68.05018	0.5
70.06555	0.9
79.05484	4.3
79.05859	0.5
84.95938	0.5
85.02876	0.8
89.03884	3.0
91.05455	4.7
92.09255	0.8
93.06973	0.7
94.70256	0.4
95.04917	1.0
97.02863	0.8
98.97549	4.1
99.49799	0.5
103.05437	9.5
105.06294	0.7
105.06995	17.1
107.04924	4.9
116.98576	3.7
117.03322	3.5
117.05701	2.8
118.06489	10.5
119.04905	0.8
119.07276	14.5
119.08572	0.8
120.08062	10.5
121.06472	0.5
124.99071	0.7
128.06204	0.7
129.06960	7.1
131.04890	3.3
131.07243	1.9
132.07994	0.6
132.95888	0.7
134.99615	2.3
135.04378	7.5
136.93054	0.7
143.00130	3.4
144.08040	1.8
145.02774	4.6
146.09605	100.0
147.04364	2.4
150.96828	1.0
154.94107	4.0
157.01671	0.6
158.99667	0.6
159.03236	0.6
161.01141	4.4
162.99077	0.6
163.02530	0.9
163.03844	24.4
164.04221	0.9
164.10677	1.1
169.01584	0.6
170.99577	0.6
172.95232	8.2
185.01031	0.6
187.02681	2.3
189.00597	2.0
190.96390	5.4
192.10133	61.3
194.20641	0.5
203.02238	1.0
206.03201	0.6
231.01698	5.7
232.01964	0.6
232.05009	0.5
233.05154	0.6
237.00577	0.7
238.10681	6.8
249.02731	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	237.1843
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.00281	1.2
53.03917	1.9
55.01852	2.0
55.05496	15.7
57.03422	3.5
57.07042	3.9
58.80655	0.8
59.04984	7.1
66.59205	0.8
66.62610	0.9
67.05202	1.0
67.05484	16.0
68.60519	0.9
69.03073	1.2
69.03406	16.8
69.07050	12.1
69.54545	0.8
71.04966	29.7
73.06525	1.2
79.05463	31.7
81.07025	100.0
83.04951	2.1
83.08601	4.4
85.06502	5.0
89.14436	1.1
91.05444	26.9
92.08704	1.2
93.07008	37.5
95.04922	5.0
95.08572	17.1
97.06485	6.4
97.10137	2.3
99.08061	34.2
103.05428	1.6
105.06992	69.1
107.08559	29.2
109.06480	12.0
109.10114	19.6
111.08054	1.4
115.05382	0.9
117.06966	5.8
119.06020	1.0
119.08532	19.6
121.06443	1.3
121.10093	15.4
123.08017	5.2
123.11648	10.3
125.09598	9.9
127.07521	10.0
127.11152	14.3
131.08556	9.3
133.10086	50.1
135.11650	6.9
137.09512	1.4
143.10628	5.9
145.10051	15.3
147.11655	8.7
149.13188	4.4
151.11127	20.8
155.10616	1.8
159.11655	5.8
161.13220	7.2
163.14801	1.1
169.12189	1.3
173.13083	1.1
174.06667	1.3
177.16248	1.2
201.16345	5.4
219.17354	8.7
237.18416	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	237.1843
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.00288	2.9
55.05501	36.6
56.26436	1.7
57.03414	2.1
63.86252	2.1
67.05499	15.5
69.03397	23.1
69.07042	10.6
69.26202	2.0
71.04967	62.6
73.06545	2.6
79.05467	17.8
81.07027	73.3
83.04942	15.1
83.08601	2.5
83.56959	1.9
85.61927	1.8
86.35341	1.9
91.05437	22.9
92.08755	2.5
93.07008	39.9
93.13727	2.0
95.04930	12.1
95.08578	21.6
97.06435	7.9
98.97559	4.2
99.08070	10.9
100.49979	2.4
105.06998	51.8
107.08556	28.1
109.06514	15.2
109.10136	17.8
111.08028	3.1
117.07018	4.3
119.08575	10.6
121.10108	22.3
123.08033	3.1
123.11675	15.1
125.09587	3.3
127.11163	28.3
131.08496	17.9
133.10089	100.0
133.11053	4.6
135.11693	9.3
139.11176	7.8
143.10725	3.3
145.10083	16.0
147.11662	5.1
149.09586	2.3
149.13199	2.2
151.11150	43.1
153.12764	8.5
155.10623	8.5
159.11655	9.3
175.14645	2.5
186.03931	2.5
191.76820	2.1
201.16379	4.8
211.81633	1.9
216.97791	2.2
219.17349	5.3
237.18343	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	237.1844
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
52.83183	0.9
53.03916	0.8
53.42687	0.7
55.05495	5.0
55.14691	0.8
57.07042	3.8
59.04964	6.2
59.77289	0.7
64.39133	0.9
67.05482	20.6
69.03395	1.2
69.07047	6.7
71.04967	14.7
72.20969	1.0
79.05453	9.1
80.85276	0.9
81.07028	99.7
83.08567	1.3
85.06503	3.8
90.12315	1.0
91.05451	12.1
93.07013	100.0
95.04920	4.2
95.08575	24.6
98.22066	1.1
99.08053	2.0
105.07003	16.1
105.65641	0.9
107.08560	16.6
108.31882	0.9
109.06493	5.5
109.10104	10.3
111.08038	1.5
113.05973	5.9
119.08531	14.7
121.10082	7.4
123.08041	2.1
123.11665	40.1
125.09525	1.1
127.11182	1.6
131.08522	1.2
133.10086	25.9
135.11679	7.9
135.12579	0.9
137.09494	1.1
142.29027	0.8
143.10629	0.9
145.10069	4.2
147.11649	7.7
149.09546	0.9
149.13202	1.2
150.93437	0.9
151.11130	17.1
155.10751	0.8
159.11635	5.4
161.13234	1.1
163.11028	1.2
173.13171	1.6
176.70447	0.9
191.14252	1.5
191.17909	1.7
201.16350	5.8
213.76566	0.9
219.17375	14.7
237.18430	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	237.1844
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
55.05493	27.9
57.07040	1.8
59.04978	2.4
67.05475	19.5
69.03383	3.0
69.07035	7.6
71.04952	12.8
71.08566	1.8
79.05461	12.2
81.07024	84.4
83.08578	3.4
85.06430	2.0
91.05432	18.6
93.07005	100.0
95.04939	4.0
95.08564	31.2
98.97562	17.8
99.08026	4.1
99.91094	2.0
105.06983	46.8
107.08559	26.1
109.10152	15.7
110.97528	2.7
116.98566	4.7
119.08554	20.1
121.10090	9.9
123.11657	35.6
125.09607	2.7
128.98592	4.2
131.08537	8.0
133.10085	45.0
135.11624	5.0
145.10092	14.8
147.11655	9.2
149.13216	2.6
151.11154	19.1
152.43082	2.2
159.11615	9.1
161.13193	2.3
167.97748	1.9
170.99586	4.4
173.13245	9.1
201.16354	8.6
210.88409	2.0
219.17337	24.9
237.18324	20.2
249.02750	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	237.1843
Annotation	Sirenin
Peak:m/z	Relative Intensity
54.80825	1.6
55.01844	3.0
55.05497	14.0
56.38427	1.4
57.03413	2.1
57.07040	3.2
57.97267	1.6
59.04959	2.8
59.48954	1.7
67.05478	17.9
69.03398	16.4
69.07030	9.7
71.04968	30.1
78.61848	1.5
79.05454	33.8
81.07022	100.0
83.08564	1.6
85.06518	2.3
90.45457	1.7
91.05437	24.3
91.38001	1.6
93.07005	29.9
95.04913	8.1
95.08542	11.7
97.06483	6.7
99.08044	31.4
105.06992	66.0
105.56622	1.6
107.08554	18.6
109.06478	14.9
109.10126	21.5
115.30541	1.8
117.06989	3.7
119.08541	13.2
119.83736	1.7
121.10078	15.1
123.08025	3.1
123.11647	8.4
125.09600	7.0
127.07491	8.6
127.11138	15.1
131.08499	5.8
133.10077	55.9
135.11652	6.8
139.11125	3.5
142.44749	1.7
143.10617	7.1
145.10081	10.7
147.11649	7.8
151.11140	24.9
155.10555	3.4
159.11626	7.4
161.13161	2.8
169.80116	1.7
170.53555	1.6
170.92108	1.6
201.16351	2.8
219.17332	7.0
235.86302	1.8
237.18497	6.3
245.05942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1843
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
52.31833	1.3
53.64808	1.4
55.05483	7.1
59.04971	3.7
60.19807	1.4
67.05478	19.1
69.03388	2.7
69.07044	10.0
71.04956	16.2
71.85535	1.5
76.23432	1.5
77.59641	1.8
77.82734	1.5
79.05447	9.9
81.07024	83.1
83.04922	1.8
84.26505	1.4
86.41733	1.5
91.05445	14.9
93.07009	100.0
95.04932	3.2
95.08575	25.3
97.06509	3.3
99.08093	2.5
99.91059	1.9
105.06994	20.2
107.08556	15.7
109.06477	2.4
109.10118	11.0
113.05954	2.9
115.07547	2.2
119.08532	15.2
121.10098	10.8
123.11650	35.2
127.11113	2.4
131.08539	2.6
133.10086	28.5
135.11632	7.1
145.10075	3.7
147.11642	9.5
151.11124	15.4
159.11710	6.0
161.13188	2.1
173.13200	2.8
175.14755	1.8
201.16246	2.3
219.17360	16.9
237.18442	14.2
250.49896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1843
Annotation	beta-trans-Bejarol
Peak:m/z	Relative Intensity
53.03924	2.2
53.15923	1.7
53.30702	2.0
54.39624	1.5
55.01820	2.6
55.05496	18.5
56.96544	13.7
57.03399	4.3
57.07044	8.1
59.04982	2.1
67.05488	17.8
69.03413	45.6
69.07027	12.4
71.04971	75.2
73.06535	2.5
79.05482	20.6
81.07030	100.0
83.04942	3.8
85.06485	8.3
89.03852	3.0
91.05459	16.9
92.09371	4.7
93.07017	39.2
95.04929	9.9
95.08585	16.3
97.06502	4.4
99.08065	16.9
105.07011	43.7
107.08571	29.0
109.06493	34.3
109.10122	25.1
117.03357	3.3
117.14639	1.9
119.08556	10.6
121.10074	4.0
121.20829	2.1
123.08028	3.4
123.11663	23.9
125.09576	3.1
127.11155	54.9
131.08517	9.2
133.10095	51.8
135.04355	8.2
135.11642	3.0
139.11148	3.4
143.10628	10.5
145.10075	19.6
145.21521	2.4
147.04384	9.8
147.11667	3.6
151.11139	74.4
155.10579	17.3
159.11667	9.7
163.03833	32.0
179.03377	2.2
185.01234	2.4
219.17329	9.0
237.18538	18.7
249.02686	2.6
259.99014	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	237.1844
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
50.64646	3.1
51.81878	3.1
55.01859	3.6
55.05494	54.2
57.03417	6.7
65.64748	4.0
67.05476	25.9
69.03407	44.9
69.07044	9.0
71.04963	80.3
79.05450	14.5
81.07024	100.0
83.04967	33.6
84.99019	3.4
91.05449	32.4
92.08748	5.4
93.07017	60.1
95.04906	24.4
95.08566	29.9
97.06528	6.0
98.97537	7.4
99.08076	7.9
105.07001	80.9
105.58519	4.0
107.08554	47.8
109.06494	37.8
109.10146	31.4
109.10773	3.4
111.08052	5.8
116.98576	3.7
119.08546	21.6
121.10103	31.7
123.07969	5.7
123.11658	28.4
125.09563	6.2
127.11163	52.4
131.04854	5.0
131.08521	8.0
133.10086	98.3
135.11687	14.7
139.11110	4.5
143.10616	6.4
145.10098	31.0
146.22729	3.9
147.11766	12.9
147.87061	4.0
149.13220	4.1
151.11124	70.5
153.12775	3.6
155.10622	19.4
158.99594	5.0
159.11662	6.4
163.03291	3.5
173.13219	4.8
201.16380	7.8
218.43423	3.9
219.17409	17.1
237.18369	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
50.00932	1.6
52.75123	1.6
55.05483	3.8
57.07042	4.9
57.15301	1.8
59.04966	2.8
61.90619	1.6
67.05479	23.2
69.03387	3.4
69.07047	10.7
71.04971	18.6
79.05462	16.5
81.07028	99.6
83.08605	3.0
91.05437	16.1
93.07011	100.0
95.04948	4.3
95.08572	28.7
95.29852	1.9
98.84058	1.8
99.08090	3.2
105.07000	24.3
107.08559	18.6
109.06440	3.2
109.10118	14.6
113.06017	2.0
119.08548	19.1
120.74081	2.1
121.10072	13.6
123.11658	46.9
127.11156	3.1
128.31258	2.0
128.44006	1.8
132.95894	2.1
133.10077	28.2
135.11618	12.6
137.09514	2.3
145.10059	3.7
147.11635	9.3
151.11118	19.9
159.11632	4.0
176.32201	2.2
197.43362	2.0
201.16389	7.5
219.17410	19.7
237.18358	15.1
250.21692	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	237.148
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03919	0.8
55.01859	0.8
55.05486	5.0
57.07052	5.1
59.04968	3.8
65.03509	0.7
67.05480	6.4
69.03401	2.0
69.07044	1.7
71.04980	6.4
73.09003	0.8
79.05457	7.9
81.07029	26.2
83.01309	1.3
83.04955	5.7
85.02867	11.6
85.06512	2.2
87.61436	0.8
91.05451	9.0
93.07011	29.4
95.04941	9.8
95.08541	7.0
97.06452	3.1
99.04419	6.6
105.07000	12.5
107.08566	15.5
109.06482	29.1
109.10116	4.0
111.08047	4.2
114.95261	1.3
115.05354	1.0
117.06957	6.9
119.08573	10.0
121.06474	16.9
121.10083	10.1
123.07992	5.9
123.11653	3.6
127.11152	1.4
129.06924	4.2
130.07706	1.4
131.08505	9.5
133.10091	11.4
135.08008	17.9
135.11655	5.7
137.05948	19.3
139.07483	7.0
143.08507	1.6
144.09305	8.5
145.10051	4.0
147.11653	2.0
149.09630	1.2
149.13278	1.2
151.07495	7.5
151.11087	1.6
153.09067	1.8
158.10818	1.2
159.11636	34.9
161.09520	4.4
163.07480	17.0
164.08203	1.7
173.13188	3.5
177.12688	9.9
181.08534	20.1
197.38103	1.0
201.12694	1.7
219.13704	8.7
219.17291	1.7
237.14780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1843
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
50.00212	0.5
50.68578	0.4
53.03924	1.1
55.01855	0.8
55.05498	2.1
56.96535	3.0
57.03411	3.6
57.07049	2.5
61.02901	4.1
61.59792	0.5
66.47110	0.5
67.05483	3.1
69.03405	9.7
69.07040	1.3
71.04966	5.3
73.02883	1.3
76.61981	0.4
79.05457	7.4
81.03383	3.0
81.07029	10.8
85.02872	32.9
85.70711	0.6
89.03862	0.8
91.03938	0.8
91.05434	5.9
92.09429	1.1
93.06429	0.9
93.07010	22.2
95.04913	1.1
95.08581	7.6
95.28270	0.5
97.02845	7.4
97.06505	2.7
98.97549	0.8
99.04423	1.2
99.08057	1.0
105.06989	14.7
107.08556	34.0
109.02824	3.0
109.06474	3.3
109.10120	10.8
117.03303	1.1
117.07019	0.9
119.08514	3.9
121.06475	1.1
121.10091	4.0
123.08006	0.9
123.11685	3.4
127.03841	4.4
127.11151	0.8
131.08510	2.5
133.10083	11.3
135.04381	2.7
135.07996	2.5
135.11655	1.2
139.11143	3.4
143.00122	2.5
145.02774	0.6
145.04912	5.0
145.10074	4.0
147.11629	2.1
149.09581	0.7
149.13161	0.6
151.11133	100.0
157.09021	0.5
159.11633	4.6
161.01219	1.2
161.02937	1.3
161.13200	0.6
163.03836	8.6
163.11142	2.5
163.14818	1.0
173.02939	0.9
173.13110	0.5
174.49120	0.6
174.91602	0.5
177.12721	0.7
191.87836	0.5
193.12286	0.5
201.16365	3.0
213.00609	0.6
219.17369	12.3
219.19264	0.8
221.10880	0.5
221.38181	0.5
237.18407	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	237.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.6
55.01847	3.1
55.05481	0.5
55.68130	0.5
56.96291	0.6
56.96548	10.3
57.03185	0.6
57.03419	8.0
57.07053	5.1
61.02602	0.7
61.02903	12.0
67.05469	0.9
69.03031	1.0
69.03403	25.9
71.01330	0.7
71.04944	0.7
73.02889	4.2
77.03898	1.0
79.05467	0.6
81.03384	10.2
83.01308	1.0
83.04942	3.2
85.02874	100.0
87.04428	2.9
89.03873	0.5
91.03935	4.3
95.04932	2.1
95.25273	0.5
97.02852	18.5
98.97554	10.6
99.04412	4.4
103.03918	0.8
105.03320	2.6
105.06935	0.6
106.06474	0.7
107.04899	2.8
108.01554	0.6
109.02854	7.8
111.04398	1.0
113.00655	0.6
115.03909	0.9
116.98586	9.3
120.83179	0.6
122.01218	1.1
123.04388	0.8
127.03872	15.0
133.02768	5.9
134.99608	7.7
135.04364	1.3
136.00984	0.8
143.00163	0.7
145.01372	0.6
145.04919	14.6
151.03848	0.7
153.00661	2.3
159.03261	0.7
161.01173	1.1
163.03825	2.6
163.06000	2.2
172.94090	1.3
177.00668	1.0
177.57922	0.6
185.01158	2.2
187.02797	0.8
190.95140	5.0
195.01720	0.8
203.02214	0.8
209.01111	2.2
213.00710	0.6
213.96730	0.7
249.02763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1687
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.00293	2.8
54.86606	1.6
55.05491	17.0
57.07053	1.9
59.04983	3.0
59.99368	1.7
65.03905	2.4
67.05482	31.0
69.03389	2.5
69.07040	21.3
71.04967	46.7
73.06519	8.0
79.05472	19.6
81.07021	60.0
83.04948	8.5
83.08603	3.9
89.05996	8.0
91.05437	31.5
93.07002	62.5
94.77490	1.6
95.04910	20.3
95.08579	32.7
97.06506	3.9
97.10078	2.2
98.26073	2.1
105.06290	2.6
105.06996	65.1
107.08555	100.0
109.06478	9.7
109.10117	34.2
111.08040	18.1
115.05409	3.5
117.06975	2.9
117.39333	1.7
119.08537	58.4
121.10102	21.2
123.07995	2.4
123.11627	2.8
125.09575	30.1
131.08545	17.1
133.10085	31.2
135.08011	2.2
135.11646	42.5
137.09601	2.5
145.06438	3.8
145.10075	27.9
147.08011	3.6
147.11632	71.1
149.09569	3.0
153.12674	19.8
156.07362	2.1
157.10109	7.6
159.11641	3.9
161.09567	3.8
161.13196	4.2
165.12744	6.6
173.13257	3.1
174.08385	2.0
175.11240	3.4
175.14807	8.0
188.87749	1.9
189.16330	33.5
217.15810	22.3
223.26482	2.1
235.16832	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	235.1687
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
54.80826	2.5
55.05495	19.5
57.07048	13.2
59.04954	2.4
63.47702	2.0
65.03934	2.3
67.05169	2.0
67.05488	39.1
69.03407	2.8
69.07032	12.7
71.04944	3.2
79.05466	24.6
81.03388	3.0
81.07024	83.4
81.42988	2.0
83.04930	12.2
83.08596	2.7
84.05271	4.4
87.04417	2.1
91.05455	24.2
92.62489	2.4
93.07003	53.6
95.04932	4.3
95.08572	68.5
97.06504	3.4
101.05982	8.4
102.06285	2.8
105.06994	54.1
107.08561	100.0
108.09303	3.1
109.06466	3.9
109.10117	30.9
111.04382	15.3
112.04715	14.5
113.05970	2.7
115.05412	4.8
117.06985	4.7
119.05985	2.4
119.08537	74.8
121.06458	2.4
121.10129	23.7
121.70794	2.2
123.11631	27.0
131.08533	2.4
133.10083	47.4
135.08023	3.3
135.11674	33.2
137.06013	2.7
137.09581	2.2
140.68419	2.2
143.08498	3.5
145.10074	5.5
147.11620	33.1
149.13126	2.8
153.09062	3.3
155.06966	4.5
156.07338	24.6
157.10008	2.7
160.05075	3.2
160.16299	2.4
161.09566	4.5
161.13196	56.3
173.08003	5.5
174.08366	24.5
175.07503	5.1
175.11159	2.6
189.16328	91.8
203.70764	2.5
208.31458	2.7
217.10890	2.2
217.15823	27.2
218.10983	47.4
235.12396	2.3
235.16844	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	235.1687
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03923	1.2
55.01851	1.5
55.05495	13.4
55.91803	1.1
57.07051	5.9
57.58023	1.1
59.04974	5.3
60.41409	1.0
67.05472	16.2
69.03397	8.3
69.07039	21.1
71.04968	15.1
73.52225	1.0
79.05451	15.1
81.07026	22.5
83.04958	6.4
83.08595	6.6
84.05289	1.2
85.06514	5.5
89.49468	1.1
91.05446	23.5
92.09208	1.2
92.14608	1.1
93.07008	36.3
95.04946	10.3
95.08572	20.8
97.06487	5.6
100.60059	1.2
105.06986	49.7
107.08558	48.2
109.06496	10.5
109.10126	15.6
111.04406	5.5
111.08058	1.6
112.04713	2.6
115.05418	1.6
117.06983	7.4
118.07772	1.2
119.08533	100.0
121.06494	4.8
121.10109	17.2
123.08022	2.7
123.11668	2.8
128.06184	6.6
129.06915	2.6
131.08513	23.3
133.06444	4.9
133.10083	60.3
135.07986	14.3
135.11635	10.6
137.09579	5.9
141.06960	1.6
142.07732	8.7
143.08510	14.3
144.09294	2.4
145.06477	2.3
145.10088	19.4
146.07230	5.9
147.08026	5.7
147.11653	20.8
149.09573	2.4
149.13228	1.3
151.11125	4.7
155.07013	1.8
156.07329	7.0
156.09319	4.6
157.10065	11.6
158.10834	2.6
159.08035	2.6
159.11633	15.1
160.08710	1.5
161.09544	85.4
161.13138	1.7
169.09984	1.4
170.10880	1.4
171.11617	6.3
173.08026	1.6
173.13177	15.5
174.08380	6.0
175.11070	9.3
175.14771	10.4
176.54672	1.1
177.12660	1.9
179.10635	7.6
184.12495	2.1
187.11177	5.6
187.14667	2.4
189.16328	12.8
199.14705	9.2
217.15793	47.2
217.17805	2.1
218.10995	10.4
235.16838	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	235.1686
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03918	1.9
54.80998	1.6
55.01860	1.3
55.05494	22.7
57.07053	10.8
59.02447	1.3
67.02921	1.4
67.05482	19.7
69.03418	1.6
69.07039	25.9
71.04971	3.3
73.06504	2.3
79.05456	17.5
81.07021	47.1
83.04948	9.4
83.08607	3.5
84.05280	6.3
84.05801	1.4
85.06516	1.8
91.05437	22.3
93.07004	50.9
95.04934	7.6
95.08565	66.5
95.09144	2.8
97.06490	2.0
97.10101	2.9
105.06985	57.7
107.08548	54.9
109.06454	2.2
109.10124	27.0
111.04411	12.2
111.08049	2.0
112.04747	9.4
114.26659	1.3
117.06969	2.0
119.08530	61.1
121.06458	1.5
121.10085	20.9
123.08022	2.7
125.05982	2.3
129.05470	1.6
130.05817	2.1
130.45206	1.7
131.08513	3.8
133.10080	74.3
135.07965	1.7
135.11635	22.7
137.09573	1.9
139.07510	3.3
142.07765	2.0
143.08578	2.1
145.10068	3.4
146.10924	2.4
147.11630	44.3
149.13235	2.0
151.07533	1.9
151.11113	2.0
153.09061	2.2
155.06995	3.7
156.07315	17.8
157.10077	2.9
161.09589	6.7
161.13193	18.1
173.08095	1.8
173.13220	6.4
174.08316	15.1
175.11052	1.9
175.14745	11.9
179.10611	9.1
189.16299	100.0
199.14813	3.0
217.15785	25.1
218.10966	21.8
235.16840	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	235.1687
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03933	3.9
55.05492	26.2
56.05823	3.0
56.22719	1.7
57.07051	11.4
62.52703	1.6
65.03905	2.1
67.05481	40.1
69.07040	21.6
69.57067	1.8
71.04961	2.6
79.05463	26.2
81.07024	90.7
83.04959	7.7
83.08595	2.4
84.05286	4.7
84.73341	2.0
85.37135	2.1
87.04419	1.9
91.05441	28.5
93.07001	62.3
94.07762	2.1
95.04942	9.0
95.07954	2.7
95.08569	65.3
97.06483	2.6
98.14868	2.1
101.05981	4.3
101.93835	1.7
102.06331	2.6
105.07000	63.0
107.08562	100.0
108.68410	1.9
109.06463	8.9
109.10137	28.7
111.04408	9.4
111.08002	2.9
112.04745	9.5
113.05948	2.6
115.05399	3.7
117.06943	4.2
119.08537	66.0
121.10090	21.0
123.11633	15.6
125.05936	2.3
129.06976	2.2
130.05750	3.8
131.08531	4.7
133.10086	59.5
135.07994	3.2
135.11652	37.7
136.12383	2.0
145.06464	2.2
145.10092	3.4
147.11639	23.8
149.13226	2.3
153.09076	3.8
155.07011	4.3
156.07309	13.8
157.10101	3.3
159.11568	3.4
161.09587	9.6
161.13176	39.5
173.13161	2.6
174.08372	12.7
175.07433	3.8
175.11110	3.0
175.14815	3.3
179.10629	4.8
189.16316	82.8
199.14795	2.5
217.15768	13.8
218.10953	25.8
235.16856	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	235.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31363	3.3
54.80691	4.1
55.01855	20.8
55.05502	29.8
57.03415	14.8
57.07058	7.4
59.04989	6.4
59.42871	3.2
65.03924	3.6
67.05479	22.0
68.99760	5.1
69.03403	7.9
69.07038	14.1
71.01337	4.6
71.04941	4.2
75.59429	3.9
77.85134	3.0
79.05462	24.8
81.03391	4.4
81.07031	27.9
83.04954	34.8
84.05304	5.5
85.02869	16.1
85.06549	5.2
89.02374	4.0
89.05974	4.7
91.05454	68.1
93.03295	3.6
93.07013	33.4
95.04946	28.8
95.08568	7.7
101.05974	23.3
102.06310	6.4
103.05457	21.3
105.07003	46.6
107.04914	17.4
107.08572	16.3
109.02895	3.5
109.06474	6.5
109.10130	19.6
110.03600	3.8
111.04413	100.0
112.04720	37.1
115.05444	23.0
116.06195	5.4
117.06976	20.8
118.04140	3.9
119.04919	13.7
119.08561	39.9
121.06473	18.7
123.04401	7.8
123.08040	7.5
125.02352	3.7
125.05999	6.4
128.06194	47.0
128.07832	4.2
129.05424	14.1
129.06946	64.6
130.05789	3.6
131.04863	26.1
131.08524	15.9
132.05716	4.1
132.49382	3.4
133.06477	25.4
133.10114	15.3
135.08080	4.2
135.11649	5.1
137.05916	27.3
139.03854	26.8
139.07507	7.2
141.06995	3.5
144.05673	5.0
145.06480	26.1
146.07263	21.8
147.04408	6.8
147.08032	34.9
147.11685	5.5
148.00336	3.6
149.05933	5.5
151.07495	24.5
155.07045	35.9
156.05634	5.3
156.07338	38.8
157.06407	8.0
158.07225	4.2
159.04372	6.7
159.08032	6.7
160.05133	6.5
161.05954	26.0
161.09552	33.3
163.03864	15.5
163.07494	13.7
167.03326	4.7
171.08054	5.9
173.05968	4.6
173.08055	28.8
174.06738	51.8
174.08386	43.9
175.07463	37.3
175.14723	5.5
177.05455	24.1
178.06221	6.7
179.06987	7.6
179.10599	17.6
187.07463	9.0
189.09023	58.6
190.06247	6.0
191.03307	5.8
191.06871	28.3
193.08466	4.8
205.08536	7.6
206.09314	5.3
207.10063	5.8
217.08507	15.7
217.10680	33.4
217.15842	4.1
218.11008	70.6
222.18306	4.3
235.09532	49.6
235.16875	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	79.7
59.84803	15.8
64.22737	17.0
72.08119	100.0
84.08118	86.0
85.02914	24.1
85.06503	23.1
86.09700	31.2
89.06553	17.9
101.90910	16.7
104.73112	17.8
110.97514	22.8
114.09133	78.8
122.42572	17.3
157.13275	75.6
232.69641	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	233.1166
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
53.03922	1.7
55.01850	2.7
55.05485	9.2
56.96540	2.1
57.03429	1.2
57.07057	2.2
58.38978	1.2
61.02916	1.8
67.05489	14.8
68.99757	1.3
69.03397	6.7
69.07050	10.6
71.04959	2.9
71.78040	1.2
74.91575	1.3
75.22025	1.2
79.05462	27.1
81.07027	17.5
83.04942	5.9
87.00797	1.3
91.05439	26.3
92.09416	2.6
93.07001	25.4
95.04948	14.1
95.08545	11.9
97.02867	1.6
98.97578	3.0
99.04424	3.0
105.06994	53.3
107.04911	26.5
107.08559	11.5
109.06464	1.4
109.10123	3.6
111.04382	3.3
115.05392	1.8
116.98582	1.8
117.06965	25.5
119.04903	3.2
119.08548	25.4
121.06490	10.2
121.10102	7.0
128.06186	3.1
129.06956	10.9
130.07730	14.1
131.08533	20.0
133.10100	10.5
135.08029	6.1
135.11656	2.5
137.05927	1.9
141.06970	3.0
142.07765	2.0
143.08502	13.3
144.09331	3.2
145.06444	8.1
145.10083	83.5
147.08044	6.4
147.11615	9.9
148.08746	8.5
149.05965	1.7
150.06223	1.7
154.07690	2.2
155.08510	1.9
157.10057	1.7
158.07198	6.4
159.08014	5.2
159.11676	17.0
162.74722	1.4
163.11124	100.0
169.10077	9.1
172.08716	3.3
173.09547	91.7
173.13051	1.9
187.11121	21.3
187.14726	5.5
189.12549	1.6
191.10609	5.8
194.88557	1.4
197.09525	2.5
205.12125	1.5
215.10611	15.4
215.14238	2.7
217.10626	3.2
223.66446	1.7
233.11690	14.6
233.15276	7.8
244.70665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2474
Annotation	Xestoaminol C
Peak:m/z	Relative Intensity
52.35919	0.4
54.52160	0.5
55.05249	0.7
55.05497	17.8
56.96550	0.7
57.07051	3.0
57.90194	0.5
58.06576	5.5
59.04965	3.4
69.06686	0.9
69.07043	21.9
69.37142	0.6
70.06561	2.5
71.08591	0.9
72.08122	20.7
72.08521	0.8
78.24113	0.5
83.08597	5.7
84.08110	2.3
85.08893	7.8
85.10143	1.1
86.09675	6.7
92.08698	1.3
97.10134	4.1
98.09629	1.4
111.11707	1.4
112.28954	0.7
133.55196	0.6
133.96378	0.6
159.20323	0.7
168.33823	0.7
174.68681	0.6
212.23660	100.0
230.24709	93.9
239.06259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.026
Annotation	Unknow
Peak:m/z	Relative Intensity
88.44617	100.0
92.09361	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	231.026
Annotation	Unknow
Peak:m/z	Relative Intensity
88.44617	100.0
92.09361	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	232.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23082	1.4
50.40932	0.9
53.03929	1.5
55.01855	1.3
55.05497	16.2
56.23360	1.0
56.96512	1.1
57.03411	5.0
58.06571	6.4
66.00676	1.0
67.05466	9.1
69.07043	21.2
70.06570	26.7
77.40759	1.3
79.05451	7.2
81.07031	22.4
83.04945	1.2
83.08587	5.0
84.04557	1.2
84.08125	1.6
85.06487	1.4
86.09676	1.2
91.05445	5.1
92.76329	1.2
93.07039	8.6
95.08568	27.0
97.06512	1.5
97.10167	1.8
98.97561	1.9
105.06995	5.3
107.08539	1.3
109.10133	6.9
116.58788	1.3
119.08561	7.0
123.07991	1.7
133.10101	2.6
135.11723	1.7
137.13252	1.7
143.01712	1.4
145.10086	1.7
161.13182	7.0
168.17433	1.9
179.14268	1.9
196.16908	100.0
214.17964	57.2
215.16510	1.9
227.40706	1.1
232.16771	2.4
232.18985	39.6
242.52936	1.5
250.20645	1.3
250.75620	1.1
253.71976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1543
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.16716	0.5
56.40441	0.5
56.96552	4.7
57.03410	0.7
58.06587	9.2
59.07364	2.9
60.08149	11.0
67.57896	0.6
68.05006	1.4
70.06567	62.5
72.08128	0.7
85.02854	0.7
91.05441	2.5
96.08066	3.2
98.06023	1.0
98.97553	8.1
114.05491	8.1
114.09124	3.1
116.07037	1.5
116.98581	4.0
119.04904	1.1
124.07559	6.4
126.09158	0.7
128.98543	0.9
129.65260	0.6
130.06323	0.7
133.06334	0.8
134.99597	0.9
137.05917	3.2
137.13641	0.7
142.08592	54.4
143.00087	0.6
147.04382	3.5
154.94096	0.6
158.99615	1.0
170.08066	1.3
177.00691	1.4
181.02652	0.6
223.60753	0.7
229.15401	100.0
244.34782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1429
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.32059	0.9
51.77570	1.0
54.80606	1.2
55.01858	18.2
55.05500	14.8
57.03416	1.9
57.07061	1.7
59.04987	1.0
64.95404	1.0
65.84472	1.0
67.05480	33.1
69.07039	19.1
69.57789	0.9
71.04946	5.5
79.05447	17.1
81.07021	100.0
83.04947	6.8
83.08572	9.7
85.06486	7.5
91.05441	27.1
91.06014	1.4
93.07006	17.1
95.04945	1.4
95.08561	21.6
97.06467	8.4
99.08044	1.9
101.05951	1.3
105.06991	43.1
107.08546	12.5
109.06464	6.6
109.10117	4.0
119.07738	1.8
119.08541	33.7
121.10098	23.9
123.08012	2.6
123.11650	27.7
127.07488	2.0
129.06964	5.3
131.08531	1.4
133.10072	5.0
137.13199	2.0
147.11647	61.3
157.10046	5.7
165.12683	25.9
173.13042	1.2
175.11124	4.1
183.13777	2.2
193.12231	1.3
228.23262	1.2
229.14169	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	229.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55569	0.2
55.01851	0.4
57.03424	0.4
58.06319	0.4
58.06587	8.8
59.07359	2.3
60.08144	12.3
68.04996	2.1
69.84239	0.3
70.06567	55.9
72.08140	0.6
72.95512	0.3
77.92342	0.3
92.64222	0.4
96.08099	2.6
98.06017	1.6
114.05500	7.1
114.09153	3.1
116.07066	1.4
124.07558	5.2
126.09105	1.2
138.03665	0.3
142.08600	52.3
170.08084	1.9
183.93748	0.4
229.15408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0855
Annotation	Benzyl salicylate
Peak:m/z	Relative Intensity
55.01852	1.2
55.05499	0.3
57.07063	0.2
65.03914	2.6
67.05489	0.5
69.07048	0.3
79.05472	0.4
81.07013	1.1
83.08565	0.2
88.96523	0.3
91.05447	100.0
92.05752	0.2
92.63663	0.2
95.04966	0.4
95.08564	1.5
95.21998	0.2
105.03371	1.5
105.07016	0.3
107.04925	3.1
107.08547	0.3
109.10120	0.6
114.36220	0.3
119.08572	0.4
130.08029	0.3
130.23938	0.2
133.02802	0.5
135.11700	0.3
136.76692	0.3
141.06952	0.5
145.06494	0.2
145.10117	0.4
151.03857	6.4
151.11014	0.2
153.06921	0.6
154.36678	0.3
155.08563	0.4
164.92830	0.3
165.06976	1.2
167.18500	0.3
170.20430	0.2
181.33508	0.3
208.64037	0.2
211.07469	13.1
228.23108	0.3
229.08525	1.0
229.15826	0.3
242.05716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.2
52.22934	0.1
53.03922	0.4
54.80984	0.1
54.99621	0.1
55.01857	0.3
56.96544	0.3
60.54376	0.1
62.25232	0.2
67.01859	0.1
67.05468	0.3
69.03426	0.2
70.06552	0.2
78.04676	3.5
79.05457	2.0
80.22683	0.1
81.07014	0.9
83.04951	0.2
85.02866	0.3
86.09673	0.2
89.03859	0.2
91.05449	2.3
93.03350	0.2
93.07005	1.7
95.03944	0.2
95.04913	1.4
96.05695	0.3
103.05432	1.7
105.03392	0.2
105.06985	1.5
106.04137	2.1
107.04893	1.2
107.08487	0.3
109.02839	0.3
109.06465	0.3
116.98596	0.2
119.08605	0.2
121.06457	2.6
122.03577	0.4
123.04386	10.3
124.05173	3.5
133.06424	1.0
134.03575	0.8
135.04350	0.4
137.05971	1.2
140.04547	0.2
149.05931	2.8
151.03859	2.5
152.04620	3.1
161.05923	0.7
163.03860	1.5
165.05571	0.3
166.06104	0.7
167.06976	100.0
168.04201	0.2
168.07326	0.3
181.08540	1.8
185.05670	0.2
193.08557	1.1
211.09625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2317
Annotation	Halaminol C
Peak:m/z	Relative Intensity
52.68924	0.4
53.03937	0.6
55.05494	30.9
56.05010	0.8
57.03424	0.8
57.07050	5.3
58.06584	7.1
64.24541	0.5
64.95635	0.5
67.05481	17.8
69.07043	25.6
70.06566	36.9
70.13051	0.5
70.82963	0.6
71.04961	2.7
71.08614	1.3
72.05302	1.0
73.03790	0.4
76.14120	0.5
79.05462	2.6
81.07027	21.4
81.92554	0.5
82.06556	1.1
83.07280	0.7
83.08588	13.2
84.08118	4.4
93.07027	1.1
95.08572	20.5
96.08057	0.5
97.10131	6.5
109.10117	6.2
111.11747	0.6
114.12763	0.7
128.14336	1.0
133.10046	0.5
145.15759	0.6
146.87132	0.6
146.91797	1.9
167.21971	0.6
175.14803	0.7
210.22102	100.0
228.23126	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	228.2317
Annotation	Halaminol C
Peak:m/z	Relative Intensity
53.03935	1.4
54.01507	0.5
55.05498	49.6
56.05017	1.7
57.03420	7.0
57.07053	6.3
58.06579	3.1
65.03943	0.6
67.05482	83.9
69.07043	36.6
70.06568	30.1
71.04953	3.3
71.08585	1.2
71.63321	0.7
72.81517	0.7
79.00784	0.7
79.05457	8.5
81.07027	68.8
83.08590	21.9
84.08115	6.3
85.06519	3.0
91.05437	3.1
92.08689	1.6
93.06999	9.3
95.08572	100.0
97.06520	2.6
97.10134	13.3
98.09638	0.8
105.07018	1.3
107.08562	1.4
109.10123	44.1
111.08067	1.2
111.11700	0.9
114.12784	4.3
119.08533	5.0
123.08021	1.1
123.11686	7.1
128.14302	3.5
133.10086	6.4
137.09590	1.1
137.13203	1.2
146.91934	1.0
147.11613	1.6
151.14726	1.4
175.14740	14.7
193.15776	6.2
193.19403	1.1
210.22108	41.1
211.16891	1.5
228.19524	4.4
228.23158	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	227.1636
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03926	1.7
55.05496	7.2
57.03415	5.2
57.07074	1.6
59.04989	1.9
60.96868	1.0
65.58125	1.1
66.39803	0.9
67.05486	7.1
69.07038	7.6
71.04973	13.4
73.97854	1.0
79.05447	9.0
81.07022	13.2
83.04961	2.3
83.08613	2.4
85.06516	1.2
87.25237	1.0
91.05441	7.4
93.07009	18.4
95.04931	27.2
95.08575	12.0
97.06488	6.1
97.10158	1.2
98.97545	2.5
99.04425	8.3
99.08076	4.8
100.11210	1.4
103.05412	1.2
105.07003	21.9
107.08570	18.7
109.06475	10.1
109.10129	12.6
111.08054	5.1
112.95284	1.0
119.08538	12.6
121.06492	1.0
121.10100	100.0
123.08022	6.1
123.11696	5.0
125.09634	4.9
127.07490	1.4
131.08514	7.1
133.07617	4.3
133.10074	18.2
135.07967	2.2
135.11668	5.6
137.09607	5.5
139.11162	5.7
145.10115	2.1
147.11661	7.1
149.13217	6.4
151.11128	8.0
153.09065	2.4
157.99213	1.2
158.10918	1.2
161.13174	1.7
163.14731	2.5
165.12781	1.1
167.06941	1.5
171.10228	1.9
173.13234	9.4
179.14276	1.3
191.14220	8.7
206.37981	1.1
209.15305	5.8
227.16267	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	227.1636
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03925	1.9
55.05500	18.8
57.03398	8.3
57.07041	7.2
59.04970	7.1
65.82300	1.3
67.05476	15.9
69.03411	15.1
69.07039	16.0
71.04961	22.1
71.30174	1.6
76.54858	1.6
79.05453	19.7
81.07024	40.4
83.04943	9.2
83.08580	7.8
85.06504	9.9
91.05438	18.7
93.07005	33.1
95.04927	100.0
95.08559	21.5
97.06490	43.3
97.10125	7.1
99.04406	8.3
99.08059	25.6
100.11148	1.8
105.06995	47.3
107.08551	41.3
109.05731	2.8
109.06477	76.6
109.10116	22.3
111.08044	12.7
113.05876	1.8
113.09618	3.2
115.07507	8.7
117.06960	2.7
119.01942	2.0
119.08538	25.7
121.06480	2.0
121.10091	39.8
123.08024	11.2
123.11651	9.5
125.09584	25.0
127.07498	9.2
131.08505	17.3
133.10083	69.5
135.07980	12.1
135.11638	6.9
136.36632	2.0
137.09534	3.4
139.11125	10.4
143.08517	3.6
145.10074	7.5
147.11649	32.8
149.09569	22.9
149.13213	8.6
151.11143	9.5
153.09065	27.9
158.10870	8.3
161.02904	2.6
163.14723	8.0
167.06996	2.2
171.10178	3.3
173.13205	21.5
191.14282	17.5
209.15292	26.5
227.16331	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	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48387	1.9
53.03944	2.8
55.05495	25.5
56.96552	18.7
57.03419	6.1
57.07069	9.4
62.45686	2.2
67.05482	14.5
69.03415	5.0
69.07050	30.1
71.04974	18.2
71.65350	2.3
73.02888	3.1
76.55672	2.7
79.05468	11.2
81.03355	3.4
81.07034	23.8
83.04951	3.2
83.08595	9.5
85.02878	3.9
85.06540	4.0
89.03898	2.9
91.05449	12.4
93.07005	27.2
95.04934	100.0
95.08566	9.8
97.06487	30.2
97.10143	2.2
98.97545	11.1
99.04420	14.1
99.08055	15.8
103.05437	2.3
105.07001	16.4
107.08547	22.9
109.06487	34.7
109.10114	9.1
111.08058	8.9
115.07529	17.3
116.98595	2.9
117.03275	3.1
119.08541	4.9
121.01635	10.0
121.06445	3.6
121.10069	21.4
123.08004	3.0
125.09598	4.1
127.07567	2.8
128.98540	3.3
131.04974	3.0
131.08543	5.6
133.10086	30.3
134.03473	2.3
135.04344	3.0
135.08005	5.1
137.52884	2.7
139.01785	4.2
139.02785	4.5
139.07599	3.0
139.11166	5.1
147.11664	13.7
149.05956	3.1
149.13173	3.8
153.05380	2.4
153.09097	13.9
163.01620	2.4
163.03847	12.7
164.04222	2.3
167.03407	2.8
167.06973	21.1
169.01653	2.3
173.13127	8.5
177.05411	2.9
185.01205	3.9
191.14265	4.7
199.99838	3.7
203.02191	2.5
209.15314	5.6
227.16356	18.5
241.03856	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	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.33860	0.8
53.20120	0.9
55.05488	4.6
57.03417	6.4
57.07059	1.6
59.04975	1.6
59.33841	0.8
67.05473	4.3
67.62105	0.8
68.11434	0.8
69.03397	6.2
69.07038	4.9
71.04963	7.1
75.04436	1.1
79.05456	4.9
81.07034	10.5
83.04951	5.7
83.08576	3.9
85.06516	1.3
91.05442	5.1
92.09289	2.0
93.07012	11.3
95.04935	16.9
95.08578	11.0
97.06519	7.1
97.85970	1.0
98.97530	5.2
99.04430	1.0
103.15387	0.9
105.06999	21.1
107.08562	22.8
109.06489	9.7
109.10113	12.2
111.08040	3.7
119.08546	9.2
121.06470	1.1
121.10104	100.0
122.07184	0.9
123.08041	7.9
123.11662	6.3
125.09588	4.2
127.07537	1.2
131.08522	5.6
133.07550	0.9
133.10089	11.2
135.08017	5.1
135.11603	6.8
137.09578	6.9
139.11160	4.7
143.08511	1.2
144.85167	1.0
145.10101	2.1
147.11668	6.7
149.09509	1.3
149.13222	5.5
151.11136	22.2
153.09077	5.2
158.10895	3.6
158.99629	1.1
163.14790	2.1
167.07001	1.8
169.12152	1.5
173.13235	11.7
191.14261	15.5
200.52219	1.0
209.15321	6.1
218.39211	0.9
227.16284	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	227.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53179	1.7
53.03923	2.1
54.80649	1.9
55.05494	15.2
57.03414	2.0
57.07033	2.5
59.04972	3.9
67.05476	8.0
68.30926	1.6
69.03397	29.7
69.07027	13.1
71.04954	30.5
73.95322	1.9
79.05444	18.5
81.07018	19.7
83.01322	4.6
83.04974	18.2
83.05379	2.1
83.08566	4.6
87.29295	2.3
89.05987	9.9
89.88046	1.9
91.05428	8.3
93.07006	29.5
95.04947	2.8
95.08572	15.4
97.06496	10.5
98.97533	5.2
99.08032	12.1
105.07018	20.8
107.08556	28.9
109.06471	8.8
109.10110	10.1
111.08001	8.3
116.98557	2.1
119.08528	4.3
121.06455	3.0
121.10098	77.2
123.07999	10.1
123.11652	3.9
125.09568	12.4
131.08525	2.8
133.10135	15.9
135.08051	2.6
135.11609	2.8
137.09546	2.3
139.07530	4.5
139.11134	100.0
149.09578	26.0
149.13168	3.8
151.11086	3.6
153.09038	2.2
163.14790	2.9
167.06987	9.6
171.04860	2.8
173.13210	4.3
176.26276	2.0
177.05350	2.3
191.14221	10.3
209.15269	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	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
55.05485	6.4
55.74567	0.8
57.03422	1.8
57.07038	4.4
59.04979	1.8
67.05477	6.0
69.03424	1.0
69.07039	10.4
70.13892	0.9
71.04968	13.2
73.06529	1.7
79.05480	7.2
81.07028	14.2
83.04946	4.2
83.08603	1.7
83.76273	0.9
85.06509	4.2
88.45023	0.8
91.05468	7.0
93.07010	16.3
95.04932	100.0
95.08579	10.4
97.06498	26.1
97.59786	1.0
99.04420	13.7
99.08068	11.2
100.11199	1.3
105.06998	12.9
107.08562	15.9
108.21788	1.1
109.06490	31.1
109.10134	8.0
111.08047	3.9
115.07545	21.6
119.08525	9.5
121.10091	18.5
123.08026	1.5
123.11660	5.2
125.09559	2.4
127.07553	2.0
131.08534	4.6
133.10085	30.1
135.07994	2.3
135.11661	1.7
137.09581	1.6
139.11145	4.2
143.08501	1.5
145.10126	1.1
147.11621	10.1
149.13217	4.3
151.11072	4.4
153.09070	15.4
158.10847	2.1
163.14778	2.0
167.06985	2.0
173.13208	9.8
175.18617	1.0
191.14258	6.4
209.15283	5.7
227.16301	15.3
236.89432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38258	1.1
55.05490	8.7
56.96541	26.1
57.03411	3.3
57.07047	3.3
59.04971	6.7
67.05470	8.6
67.16042	1.3
69.07040	16.2
71.04963	20.3
75.49076	1.3
79.05446	9.4
81.07018	13.8
83.04942	2.9
83.08572	2.4
85.06508	9.9
89.03896	16.4
91.05437	8.7
93.06990	15.4
95.04932	100.0
95.08554	9.7
97.06499	17.3
99.04410	12.1
99.08039	14.9
100.11232	11.9
105.06986	14.2
107.04970	3.0
107.08556	15.2
109.06498	24.4
109.10120	7.9
111.02015	1.6
111.08048	3.1
115.07521	1.8
117.03363	12.5
119.08523	9.7
121.10102	15.4
123.11682	3.2
124.99057	3.7
125.09541	1.9
127.07504	2.7
131.08513	5.4
133.10085	27.3
135.04358	22.3
135.08018	2.4
135.11658	2.4
139.11153	2.5
141.31668	1.5
143.00119	10.1
145.02728	13.0
147.11617	9.4
149.13168	3.1
153.09065	15.6
159.03207	1.8
161.01144	11.1
163.03842	79.9
163.14751	2.4
164.04199	9.7
165.12730	2.3
167.07033	5.0
171.10126	6.3
173.13165	11.4
185.01082	3.3
189.00655	2.8
191.14200	6.1
203.02177	2.8
205.94833	1.5
207.01683	1.5
209.15233	10.5
210.69501	1.5
213.00673	2.3
227.16246	27.4
231.01657	11.8
237.00496	1.6
249.02637	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	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03921	2.4
55.01848	8.3
55.02096	1.7
55.05498	37.0
55.24845	1.5
56.19241	1.8
57.03415	8.0
57.07052	11.0
59.04992	4.3
60.33419	1.6
61.02898	4.3
64.30959	1.7
65.03914	2.3
67.05486	17.1
69.03394	12.9
69.07042	27.8
71.04966	23.8
78.04666	4.0
78.82259	2.0
79.05466	24.7
81.07030	37.4
83.01321	21.1
83.04949	22.7
83.08598	11.1
84.72410	2.0
85.06511	8.3
91.05451	32.1
93.07014	56.1
93.87012	2.2
95.04943	19.0
95.08564	28.1
97.06487	17.1
97.10117	3.1
99.04413	31.1
99.08057	36.5
100.11210	7.6
101.06003	3.8
103.05446	13.5
105.03297	1.8
105.07005	41.9
106.04141	4.0
107.04919	12.7
107.08566	83.1
109.06478	20.6
109.10135	40.7
111.08042	17.3
117.06969	2.1
119.04880	1.8
119.08551	25.5
121.06468	28.9
121.10099	100.0
123.04404	13.4
123.08019	12.6
123.11662	9.9
124.05154	2.3
125.05960	7.7
125.09594	23.0
127.07487	2.3
129.06984	3.0
131.04898	2.5
131.08530	16.9
133.10086	53.3
135.04356	3.3
135.07983	16.6
135.11642	17.8
136.08810	3.8
137.05968	4.2
137.09607	19.9
139.07463	16.2
139.11140	8.9
139.90147	2.0
143.01854	3.4
143.08501	3.0
145.10027	10.2
147.11618	4.5
147.89806	2.3
148.05145	21.1
149.05956	15.8
149.09578	61.9
149.13216	22.6
151.03894	4.1
151.11125	42.2
152.04689	2.2
153.09032	10.3
158.10883	4.2
161.02913	7.7
163.14767	22.1
165.12711	2.2
166.55539	1.9
167.06987	90.8
167.08432	3.1
169.12192	4.8
170.19604	1.8
171.11586	1.9
173.13191	22.7
177.05391	12.9
181.15813	3.8
191.14255	33.2
194.05713	16.8
195.06509	16.0
209.08014	31.0
209.15309	79.5
227.09041	7.3
227.16368	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	227.1272
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.74573	1.5
55.01603	2.9
55.01855	71.0
55.05484	10.2
57.03397	2.2
57.07056	10.6
58.33297	1.2
59.04958	1.8
61.75528	1.3
64.95609	1.3
65.03913	1.2
67.05477	25.7
69.03397	14.5
69.07040	37.6
71.04955	13.7
79.05458	24.7
81.07023	22.9
83.04950	6.7
83.08601	2.7
84.52149	1.3
85.06511	29.1
91.05434	13.4
92.09361	1.4
93.07008	39.6
95.04944	11.3
95.08572	52.6
97.06485	35.3
98.97591	1.7
99.04423	18.5
105.06991	28.3
107.04922	6.1
107.08559	81.0
109.06480	27.3
109.10080	3.5
111.08052	1.7
113.05972	8.6
117.06963	5.4
119.08556	9.0
121.06436	15.4
121.10094	28.1
123.08017	28.6
125.05948	3.1
125.09592	7.4
127.07561	2.5
127.11145	1.6
131.08484	5.3
133.10092	2.6
135.08003	6.0
135.11627	11.1
137.09602	2.0
139.07457	1.4
139.11171	1.6
145.10059	19.3
147.11623	5.0
149.05978	1.5
149.09575	6.6
151.07486	19.6
151.11122	2.6
153.09077	6.2
163.11101	35.1
167.06996	8.0
167.10664	3.4
169.08524	100.0
173.09576	6.5
181.12173	11.7
185.11728	2.1
191.10658	7.3
199.07820	1.4
209.11673	3.3
209.15419	2.2
211.08734	1.6
227.12630	13.1
227.16310	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	227.1273
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.45236	1.7
55.01855	3.9
55.05483	11.9
56.96555	16.2
57.03432	3.2
57.07059	11.6
67.05477	48.4
68.99776	3.0
69.03413	2.7
69.07043	9.7
71.04967	25.9
73.02923	2.1
79.05461	52.5
81.07020	14.2
83.04955	12.7
85.06518	98.7
91.05442	46.8
93.03413	2.2
93.07012	42.0
95.04921	26.1
95.08565	3.6
97.06506	9.5
99.08060	3.1
100.11237	9.0
105.06999	36.4
105.16315	2.4
107.04910	24.0
107.08562	56.4
108.01508	2.3
109.06496	13.8
111.04401	17.1
117.02029	3.3
117.06995	10.3
119.04925	4.8
119.08543	28.3
121.06448	20.5
121.10091	41.4
123.04411	26.2
123.08031	3.6
125.05949	15.3
129.06946	10.6
131.07544	4.1
131.08525	96.3
133.10100	4.7
135.07996	4.9
135.11635	3.8
136.05193	4.9
137.09569	12.9
139.03838	26.8
140.04559	3.3
145.06445	2.6
145.10059	41.9
147.07983	9.9
149.05965	3.5
149.08403	3.5
149.09570	100.0
150.03087	10.8
151.03903	17.0
151.07541	5.1
152.04195	2.7
153.05392	3.4
155.06978	8.7
155.08405	2.5
159.90221	2.0
160.02785	2.7
163.11118	26.3
165.09065	15.0
167.07039	10.8
167.10611	28.9
173.09537	4.2
174.02505	3.8
179.00105	4.6
179.06998	13.9
181.04893	4.3
191.10620	58.8
192.03645	3.4
197.01164	22.0
209.11670	40.2
209.15373	3.3
215.02200	5.0
223.30045	2.4
227.02238	9.5
227.12659	21.4
245.03233	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	227.0908
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
51.97829	0.3
53.03918	2.1
53.45332	0.3
54.81155	0.4
55.01842	0.8
55.05487	1.5
56.96535	0.8
57.07039	0.4
65.03902	0.4
67.05466	0.5
69.03391	0.6
69.07020	0.9
71.04944	0.8
78.04671	3.8
79.05460	4.0
81.07012	2.3
85.02861	0.4
89.03874	2.0
91.04900	0.7
91.05439	11.8
93.07005	6.3
94.04149	0.6
95.04932	8.5
97.06461	1.6
98.97564	0.4
99.04431	0.7
99.08039	0.4
100.11200	1.9
103.05434	9.4
105.03354	0.6
105.04486	0.9
105.06995	0.8
106.04111	2.6
107.04938	4.4
107.08553	2.1
109.06467	0.8
109.10123	0.9
110.39738	0.5
111.04382	0.6
111.08015	0.5
116.98634	0.5
117.03348	2.3
118.04064	0.5
119.04895	2.4
119.08530	0.8
121.06455	15.7
121.10111	3.4
122.03560	1.5
123.04387	10.3
124.05167	4.9
131.04900	6.6
131.08488	0.5
133.02785	0.6
133.10062	0.7
134.03571	2.7
135.04396	3.2
137.05937	10.3
139.03838	0.5
140.04630	3.4
145.02824	1.8
147.04335	1.4
148.05107	2.5
149.05945	12.7
151.03865	1.9
152.04668	3.3
153.09000	0.7
155.06969	0.6
159.04330	4.0
162.03082	0.5
163.03902	2.9
163.07530	0.5
165.05376	0.4
166.06155	0.4
167.06972	100.0
173.07875	0.4
176.04468	0.5
177.05412	15.7
180.07755	0.5
181.08594	0.5
191.07021	0.9
191.14328	0.6
194.05693	0.5
209.08064	5.2
227.08960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.148
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05492	5.1
57.07047	2.3
63.20195	0.9
67.05473	2.4
67.71513	0.9
69.03431	1.2
69.07017	1.3
71.04963	53.3
73.24689	1.0
79.05446	2.5
81.03377	1.8
81.07005	7.6
83.04975	2.0
83.08592	6.1
85.02859	1.5
85.06487	1.2
85.10085	1.0
91.05442	4.8
93.06999	1.7
95.04905	1.4
95.08546	7.8
97.06474	1.4
99.04412	100.0
105.07001	6.2
107.08555	37.2
109.06489	15.6
109.10104	4.0
113.09599	4.4
119.01862	1.2
119.08552	2.2
121.10120	11.9
123.08026	18.7
123.11680	12.9
125.05901	1.5
125.09569	6.1
131.08525	1.1
133.10139	1.3
137.09564	4.0
139.11198	2.1
147.11639	2.5
149.09569	11.1
163.11089	1.2
165.09027	20.5
165.12692	8.4
167.10614	20.2
183.13733	25.2
189.12666	2.5
207.13701	1.9
225.14827	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	225.148
Annotation	MKN-003A
Peak:m/z	Relative Intensity
55.01844	15.9
55.05492	27.0
57.07043	6.5
67.05489	27.4
69.03391	13.3
69.07027	22.7
71.04959	12.6
79.05449	26.1
81.07029	77.6
83.04933	6.8
83.08587	16.2
85.06504	5.7
91.05446	18.2
93.06427	4.8
93.07005	100.0
95.04914	27.9
95.08569	31.4
95.11118	2.8
97.06486	44.2
99.04392	6.9
105.07001	39.5
107.08560	60.6
109.06493	29.6
109.10159	3.1
110.68628	3.5
111.08037	32.2
113.05907	3.4
114.35815	3.9
119.08541	26.3
121.06450	5.5
121.10101	14.7
123.08010	6.5
123.11649	25.7
125.09529	4.5
127.07481	3.2
133.10011	4.8
135.08003	20.4
145.10138	2.9
145.90321	2.9
147.08072	4.2
147.11642	33.3
151.11192	3.8
161.13202	7.5
165.12688	41.7
169.08607	4.1
171.11679	6.2
179.14227	3.5
183.13753	41.1
189.12704	7.6
201.55441	2.8
207.13789	13.9
225.14755	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	225.148
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03927	0.5
54.80850	0.4
55.01846	0.5
55.05496	5.1
57.03419	0.3
57.07050	5.5
59.04976	0.8
59.22713	0.3
67.05479	29.4
69.03399	1.9
69.07038	1.9
71.04964	0.8
79.05473	2.8
81.07027	6.3
83.04944	2.8
83.08582	0.4
85.02870	10.6
85.06509	6.2
85.77643	0.3
91.05437	4.5
93.07006	9.6
95.04938	3.2
95.08567	100.0
97.06490	1.6
102.36629	0.3
105.06992	5.9
105.65653	0.3
107.08558	8.3
109.06485	3.3
109.10115	2.4
111.08042	0.7
113.05959	3.3
119.01844	0.6
119.08531	12.4
121.06430	1.7
121.10110	6.5
123.08020	21.5
123.11665	9.1
125.05885	0.6
127.07573	0.5
131.08514	2.5
133.06490	0.5
133.10098	2.0
135.08011	0.7
135.11650	6.5
137.09557	1.7
141.09088	0.8
147.07976	1.4
147.11632	2.6
149.09579	12.9
151.07491	0.5
151.14760	1.7
157.24582	0.4
159.07904	0.4
161.13147	3.3
163.11136	0.6
165.09010	0.4
165.12697	3.4
171.11613	0.6
174.10349	1.7
179.14244	0.7
189.12730	3.4
207.13710	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	225.1479
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03920	2.3
55.05489	22.5
57.07047	19.8
59.04977	2.1
62.81399	2.0
62.85622	2.2
64.33099	2.1
67.05479	37.1
69.03402	100.0
69.07032	14.4
71.04955	1.9
71.08603	4.9
79.05470	25.9
81.03362	10.2
81.07028	52.6
83.04951	14.9
83.08610	4.3
85.02865	2.6
91.05447	23.0
93.06998	34.1
95.04951	17.5
95.08563	33.0
97.06499	13.9
103.05402	3.8
105.06998	63.1
107.04913	4.6
107.08546	17.6
109.06497	22.1
109.10117	14.7
111.07987	3.0
117.07018	4.3
119.01850	4.1
119.04881	2.6
119.08527	44.2
121.06461	10.3
121.10099	26.9
122.07253	9.7
123.04373	16.7
123.08023	20.6
123.11638	5.9
125.09628	3.5
129.06984	2.7
131.08470	3.6
133.06451	9.1
133.10066	51.6
135.08018	2.8
137.05966	4.0
137.09554	38.8
139.11130	16.9
140.12532	2.5
145.10094	5.1
147.11606	26.7
149.09569	2.5
151.07520	4.5
151.11139	4.7
156.09276	9.6
159.08020	4.4
161.13181	11.9
163.11127	12.1
171.11592	4.3
174.10330	3.8
189.12686	17.1
207.13736	29.1
225.14801	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03928	2.8
55.01844	6.5
55.05498	21.4
57.03416	7.4
57.07056	8.1
59.04983	17.3
65.03897	2.7
67.05485	36.5
69.03404	12.9
69.07040	9.7
71.04955	3.3
71.08588	2.1
79.05473	27.0
81.03397	1.9
81.07034	30.0
83.04954	12.7
83.08578	1.6
85.02863	2.0
91.05450	37.7
93.07013	42.7
95.04941	26.1
95.08581	30.5
97.06497	6.0
103.05433	8.2
105.07002	84.9
107.04917	7.1
107.08562	93.8
109.06490	42.6
109.10118	30.8
111.04396	2.7
111.08009	2.5
115.05325	1.6
117.06974	3.6
119.01891	6.4
119.08542	66.7
121.06442	18.9
121.10101	11.1
121.22284	1.4
122.07243	6.5
123.08023	100.0
123.11615	2.4
125.05967	6.0
125.09607	2.8
129.06891	2.0
131.08505	5.6
132.69438	1.6
133.06454	5.8
133.10097	18.4
135.08017	35.5
135.11638	29.7
137.09583	77.8
137.13225	1.5
140.27232	1.5
143.08499	3.2
145.10091	6.0
146.10719	1.6
147.07996	5.9
147.11649	22.2
149.09555	9.9
151.07497	8.3
151.11128	5.6
153.09077	8.0
156.09306	3.4
159.11656	3.3
161.09540	5.8
161.13216	22.8
163.11162	6.3
171.11638	2.3
174.10327	1.9
177.12614	2.3
179.14198	1.6
181.12219	1.9
189.12758	10.6
194.57626	1.5
207.13751	6.1
210.62665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00612	0.2
72.80155	0.2
82.99780	0.5
97.46852	0.2
98.97550	0.3
100.37148	0.2
101.00842	16.0
104.90780	0.2
116.98643	0.2
119.01876	100.0
120.01939	0.7
121.02355	0.3
123.48542	0.2
124.02349	1.6
137.02910	37.6
137.66051	0.2
142.03453	32.0
143.03551	0.4
151.12456	0.2
160.04489	13.0
161.02887	10.1
161.04262	0.4
165.04990	0.3
177.00903	1.7
179.03941	24.1
184.04517	1.1
187.99170	0.4
188.49178	0.4
199.49992	1.7
200.00160	0.5
202.05493	2.0
238.95399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1276
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03923	0.6
55.05473	0.8
56.96545	3.1
57.03408	0.8
58.06572	3.5
59.04965	1.0
62.76746	0.5
63.09314	0.5
67.64317	0.5
68.05005	1.1
69.03415	0.6
79.05466	6.7
81.07012	0.8
91.05440	9.4
92.62613	0.7
93.07015	2.4
97.02869	1.0
98.97548	3.4
103.02420	0.6
103.05434	14.6
105.06997	42.2
107.04927	6.3
107.08551	0.7
115.05418	1.1
116.98576	3.2
117.06988	0.6
118.06508	18.8
119.04896	0.9
119.07279	2.4
120.08064	22.1
121.48487	0.7
128.06166	8.3
130.06471	4.0
131.04855	3.3
131.07260	3.9
131.08511	2.6
132.08070	1.2
134.99664	1.0
136.07501	1.2
137.02908	0.7
138.57034	0.5
143.08524	5.1
144.07927	0.7
147.04388	1.3
160.11163	100.0
161.01170	1.0
177.00627	0.7
178.12209	55.8
179.03986	0.6
206.11685	8.1
211.32614	0.7
224.12733	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	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88086	0.2
54.81096	0.2
56.96536	0.2
63.39933	0.2
65.44526	0.2
73.53944	0.2
75.85960	0.2
77.96548	0.2
78.19162	0.2
81.84216	0.2
82.99789	0.4
91.01742	0.2
93.92310	0.2
98.97536	0.4
101.00838	15.9
117.03001	0.2
119.01878	100.0
121.02305	0.3
121.62891	0.2
124.02407	1.9
127.03786	0.2
137.02910	39.7
142.03456	32.8
143.01814	0.3
154.25407	0.2
157.97575	0.3
158.97156	4.0
159.97920	0.5
160.04504	13.5
161.02895	9.4
165.05034	0.5
168.55765	0.3
174.98505	0.3
175.98589	0.4
176.98203	6.9
177.98882	0.6
179.03946	23.5
184.04553	1.0
200.98323	0.4
202.05550	2.2
218.99272	0.4
219.99847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76878	42.3
54.44342	39.7
56.96526	56.9
60.45341	42.1
63.65771	42.9
64.38247	42.9
67.78712	50.1
69.03414	59.2
74.63464	41.8
76.86340	46.0
78.07790	42.9
82.50627	48.3
85.02854	90.9
98.97574	45.2
123.41940	44.5
176.98254	53.4
200.03778	57.4
200.65382	50.8
224.07594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.3
53.03928	2.6
55.01860	3.1
56.96545	1.7
57.03148	0.4
57.03419	8.3
59.04966	0.5
60.56656	0.2
61.02903	14.8
69.03404	24.7
69.07046	0.4
71.01336	0.4
71.04962	2.4
73.02889	5.7
75.04441	0.3
81.02942	0.5
81.03384	8.2
81.07043	0.3
83.01313	0.7
83.08626	0.3
84.34832	0.3
85.02876	100.0
87.04450	3.4
91.03922	3.6
91.05433	0.4
95.04926	0.3
97.02855	20.4
98.97537	3.4
99.04425	3.9
99.84834	0.3
101.02357	0.6
103.03932	0.3
107.04926	0.3
109.02843	7.2
109.03532	0.4
115.03866	1.0
116.98591	1.7
121.06429	0.5
127.03872	13.5
134.99619	1.2
145.04912	13.3
146.99699	0.4
147.04439	0.4
149.02307	0.3
163.05981	2.0
167.07014	1.3
184.47723	0.3
194.94702	0.3
200.17682	0.3
227.02103	0.4
230.92387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1323
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03927	2.5
55.05262	1.9
55.05494	20.4
56.96534	4.0
57.03430	2.0
59.04954	3.5
65.03909	2.5
67.05476	16.7
69.03396	42.5
69.07039	4.5
71.04958	2.4
71.91493	2.2
79.05449	14.4
81.03371	3.4
81.07021	23.3
83.04942	15.0
85.02884	4.1
86.16372	2.6
87.04439	33.4
91.05438	34.6
93.07016	27.0
94.04169	2.8
95.04926	15.3
95.08572	13.5
97.02847	4.7
98.97541	15.5
99.97863	3.9
105.07005	17.4
107.04883	3.9
107.08538	21.7
109.06477	85.6
109.10123	17.4
110.07225	2.4
111.04445	3.1
111.08044	4.5
116.98585	14.9
117.06981	5.9
119.05972	5.9
119.08536	26.2
121.06440	55.7
121.10126	11.5
122.07233	14.1
123.07986	4.7
123.11649	3.5
125.05910	3.2
125.09587	10.9
131.08472	3.9
133.10083	5.7
134.21436	3.0
134.99602	3.5
135.08022	9.8
135.11618	3.3
137.09569	100.0
139.07475	2.7
145.10071	5.3
147.08020	3.3
149.02251	4.7
149.05959	5.8
149.09596	12.9
150.54253	2.4
151.07539	3.4
159.11542	3.0
161.20287	2.4
163.11113	10.3
167.07001	2.8
177.12637	5.6
181.08696	2.7
187.88850	2.3
223.13232	23.7
223.16637	3.0
234.87331	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	222.0009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00203	0.3
55.65684	0.4
64.32182	0.3
68.28133	0.3
101.00828	0.5
116.98592	0.5
119.01894	3.5
124.81439	0.3
137.02910	0.5
138.96333	4.2
156.97429	86.9
171.54459	0.4
174.98476	100.0
175.98538	0.5
179.99028	1.6
180.97385	0.6
198.00107	2.2
198.98479	10.7
199.00238	0.7
206.37192	0.4
216.99521	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	222.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80957	9.7
55.01868	10.7
56.96541	46.8
57.03408	21.3
61.02894	18.1
69.03394	81.3
74.94275	11.7
85.02866	25.6
95.01279	54.3
97.02842	79.3
98.97547	16.3
113.02321	79.7
116.98560	15.7
119.00800	10.0
119.01780	24.9
123.00762	98.6
128.98608	13.6
141.01805	50.8
143.03323	52.6
156.97484	100.0
169.01271	75.8
174.98404	86.6
187.02243	18.0
203.06117	12.5
212.25868	15.3
222.06020	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	221.1895
Annotation	Fokienol
Peak:m/z	Relative Intensity
50.09865	1.7
51.73313	1.6
55.05492	8.5
55.07756	1.7
57.07052	2.5
67.05471	10.1
69.07043	10.6
71.04970	15.9
73.64376	1.7
76.26521	2.1
76.76892	1.6
79.05463	25.7
81.07024	100.0
83.04961	1.9
91.05482	13.8
93.07008	47.8
95.04929	2.7
95.08562	30.2
97.06499	2.4
105.06989	25.2
107.08559	66.0
109.10117	19.5
109.87714	1.6
119.08532	42.7
121.10101	10.1
123.11664	10.2
127.11126	3.4
133.10080	22.7
135.10667	3.8
135.11646	70.6
145.10132	3.0
147.11703	17.2
149.13200	1.8
161.13206	4.4
169.69344	1.8
203.17865	19.2
203.78459	2.3
221.18953	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	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05481	10.9
64.16405	1.9
67.05464	14.7
69.07036	14.8
71.04949	10.5
79.05456	21.7
81.07027	100.0
83.08574	3.3
83.52766	2.4
91.05434	12.2
93.06996	46.7
95.08558	34.7
98.97518	4.0
105.06982	33.7
107.08563	55.8
109.10124	34.7
116.98579	2.6
119.08529	45.0
121.10070	10.8
123.11663	9.9
127.11139	4.5
133.10085	22.6
135.11632	55.9
147.11644	19.7
149.13217	10.9
161.13266	9.4
163.14783	4.7
203.17897	29.0
208.77943	3.0
219.85631	2.1
221.18890	23.3
237.13596	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1894
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.11238	1.6
55.05494	14.2
67.05482	12.0
69.03413	1.9
69.07042	9.9
71.04961	13.9
79.05468	28.3
81.06548	4.2
81.07026	100.0
83.08611	2.6
86.26174	2.1
91.05451	14.9
93.07006	35.1
95.04921	2.9
95.08564	27.5
98.97569	6.8
105.07014	24.4
107.08562	71.0
109.10133	15.9
111.08051	2.7
116.98611	3.6
119.08538	25.2
121.02811	2.4
121.10087	8.6
123.11653	8.7
133.10085	20.6
134.99600	4.1
135.11649	67.9
137.13193	2.6
147.11630	9.3
149.02284	45.1
161.13232	3.6
163.14708	2.1
165.16032	2.2
177.09071	19.0
203.17891	12.7
210.36732	2.1
221.18967	15.9
229.84877	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Fokienol
Peak:m/z	Relative Intensity
50.16283	1.4
52.03129	1.6
53.03912	1.5
55.05484	10.1
65.21062	1.6
67.05470	11.1
69.07037	12.1
71.04976	18.9
72.33962	1.5
79.05468	23.1
81.07030	100.0
83.08570	2.9
91.05453	11.7
93.07016	40.7
94.29197	1.7
95.05888	1.6
95.08578	23.0
105.07014	32.1
107.08566	72.3
109.10117	20.0
111.07996	2.5
116.22208	1.9
117.06958	1.9
119.08540	54.2
121.10120	6.8
123.11663	7.8
127.11152	4.1
133.10077	16.4
135.11649	74.0
147.11662	15.1
149.13216	4.0
161.13173	3.8
203.17879	21.9
221.18933	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	221.1894
Annotation	Fokienol
Peak:m/z	Relative Intensity
55.05244	1.5
55.05496	10.2
56.96550	6.6
58.61004	1.5
63.65675	1.4
67.05474	7.0
69.07040	11.1
71.04961	15.7
79.05451	15.2
81.07023	100.0
83.08577	2.7
85.68110	1.7
91.05450	9.6
92.08666	1.9
93.07006	39.6
95.08562	14.0
98.97546	97.1
99.08032	2.2
105.06993	31.1
107.08552	36.6
109.10112	15.6
116.98577	78.9
116.99370	3.3
119.08542	49.4
121.10088	3.3
123.11672	6.9
124.38945	1.8
127.11168	7.4
129.08115	2.0
133.10101	8.9
134.99597	41.6
135.00508	2.4
135.11644	36.7
140.00099	3.0
147.11693	15.5
149.13182	3.1
153.00661	8.7
158.01201	19.2
161.13197	2.8
203.17947	15.6
221.18941	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	221.1895
Annotation	Fokienol
Peak:m/z	Relative Intensity
55.05499	13.0
59.99307	1.4
64.59319	1.4
65.03906	1.4
67.05476	7.4
69.07038	11.7
71.04967	16.1
72.80235	1.4
79.05455	24.9
81.06545	3.3
81.07023	100.0
91.05450	16.0
93.07001	43.8
95.08569	25.3
96.29449	1.4
97.10121	1.7
98.97479	1.5
99.08015	2.3
105.06983	31.7
107.08552	89.1
109.06503	2.7
109.10123	18.6
119.08533	40.4
121.10091	3.3
123.11680	15.1
127.11146	7.7
133.10075	19.3
135.11638	92.8
136.76466	1.6
147.11664	14.5
149.13223	3.7
161.13226	6.3
203.17856	18.9
221.18990	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	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.03159	1.4
52.61678	1.4
53.03906	2.1
55.05481	8.3
57.07050	2.8
57.63140	1.9
60.20123	1.9
64.22884	1.6
64.32532	1.8
66.09984	1.8
67.05455	8.0
69.07030	8.7
71.04960	15.3
79.05460	27.7
81.06551	3.5
81.07027	100.0
85.71868	1.5
91.05427	11.7
93.07008	39.9
95.08586	18.7
99.08100	2.3
103.64520	1.7
105.06995	27.7
107.08560	81.1
109.10129	18.7
119.08549	37.9
121.10078	8.3
123.11644	11.6
127.11176	3.5
133.10092	23.6
135.11650	91.0
137.13164	2.0
145.10051	2.4
147.11606	10.4
149.13231	2.1
161.13159	6.8
163.14813	2.1
203.17868	21.0
221.18948	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	221.1895
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.03904	1.2
55.05496	3.3
56.96540	8.4
59.05008	1.4
61.95897	1.1
62.07051	1.2
67.05483	3.1
67.65743	1.1
69.07044	6.3
71.04968	11.9
76.55363	1.4
79.05464	16.0
81.07032	59.9
91.05439	8.6
93.07011	31.1
95.08587	16.2
98.97549	100.0
99.08096	1.7
105.07010	24.2
107.08554	30.1
108.06831	1.9
109.10138	11.9
116.51527	1.3
116.98586	82.7
119.08543	36.2
121.10088	3.3
123.11700	1.8
127.11137	2.6
129.09367	1.5
133.10115	7.7
134.99619	48.5
135.11661	36.8
140.00183	2.4
147.11671	8.4
149.13258	2.8
153.00682	7.8
158.01216	18.4
161.13176	1.7
162.85963	1.3
175.14790	2.7
176.02263	7.7
203.17851	12.2
221.18903	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	221.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71272	0.2
55.05496	0.5
55.97787	0.2
56.96544	0.4
57.07042	0.3
58.09168	0.2
67.05482	0.6
69.07034	0.6
71.04961	0.3
73.06015	0.3
79.05444	0.5
81.07025	2.5
83.04951	0.4
89.61497	0.3
91.05444	1.9
92.97531	0.3
93.07000	1.2
95.08553	1.4
97.57309	0.2
98.97535	2.1
105.07000	1.5
107.08555	1.4
107.62955	0.2
108.63473	0.3
109.10121	0.5
115.05412	1.4
116.06203	1.0
116.97839	0.3
116.98541	2.1
117.06985	6.5
119.04919	1.0
119.08535	1.0
121.10136	0.3
123.11660	0.3
128.06190	1.0
129.03680	0.3
129.21635	0.3
133.06412	1.0
133.10106	0.3
134.07249	1.2
134.99614	2.1
135.08006	1.7
140.74513	0.3
143.08492	1.0
144.05659	1.3
145.06439	1.4
147.04497	0.3
147.08006	0.4
147.11673	0.4
160.05153	0.4
161.05949	1.1
162.06696	8.3
175.07518	2.8
176.14317	0.5
177.09048	100.0
178.09421	0.3
203.17905	0.4
205.14661	0.3
220.16888	1.5
221.11630	0.3
221.15332	0.4
221.17206	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	221.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30806	35.3
57.89703	40.0
66.98190	43.9
76.72866	41.9
89.19669	41.4
92.09325	47.1
102.17851	41.6
111.71247	45.3
157.19792	40.5
192.49339	40.4
221.04117	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	0.4
57.07049	0.2
59.17429	0.2
61.01142	0.3
64.32561	0.2
82.01421	0.2
82.99805	0.4
84.28285	0.2
98.97534	3.7
100.02447	2.2
100.97130	0.2
101.00838	8.9
116.98571	3.8
118.03498	2.3
118.98140	0.9
119.01875	100.0
120.02000	0.5
121.02264	0.3
129.10536	0.2
132.98846	0.2
134.99594	2.6
136.04564	0.3
137.02908	62.6
137.99245	0.3
142.03461	2.1
143.01816	0.3
143.03586	0.3
149.49677	0.2
151.04451	0.3
151.25124	0.2
152.61348	0.2
153.00647	0.4
155.00124	0.3
155.02205	0.4
160.04517	1.7
161.02895	14.6
161.04628	1.4
163.99829	0.5
166.60458	0.2
174.98517	0.4
177.00815	0.3
177.72751	0.2
178.05562	0.5
179.02252	2.9
179.03934	38.5
180.05336	0.2
182.00830	0.4
197.03229	1.3
197.99008	1.8
202.05394	0.2
203.03955	0.4
221.01463	0.9
221.04947	1.6
234.42329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	1.1
56.01369	0.9
56.96539	3.9
57.03441	1.0
57.07056	12.8
58.32533	0.8
59.04980	9.4
67.05489	10.2
69.03397	2.1
69.07042	7.0
70.02927	10.1
70.06558	5.7
70.74792	0.9
71.62323	0.9
72.04144	1.2
72.04495	24.6
73.02869	5.3
74.02412	1.8
83.04980	1.8
85.02875	3.8
85.06503	19.2
86.09641	1.1
90.05521	100.0
90.34693	0.9
95.04933	11.2
96.08076	4.2
97.02842	4.4
98.02380	24.7
98.97530	6.5
100.03922	2.1
103.07542	9.5
110.97513	1.4
112.07566	4.9
113.05962	3.9
113.94895	1.0
116.03412	13.5
116.07066	1.6
116.98543	4.0
124.07545	26.6
134.99561	1.4
137.05927	1.3
142.08577	10.4
143.00128	1.3
160.09621	1.4
166.08560	1.8
174.11230	1.8
184.09599	18.0
188.05893	2.2
188.54904	1.7
202.10684	25.6
214.03876	1.9
220.11719	31.7
232.04855	6.5
237.02812	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1175
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
56.96552	1.2
57.07051	10.4
59.04965	7.8
67.05477	10.4
69.07043	7.6
70.02927	13.5
72.04488	25.7
73.02888	5.9
74.02409	1.2
83.04956	1.7
85.06512	14.7
86.09700	1.7
87.08077	1.6
90.05521	100.0
95.04920	11.3
96.08096	1.6
98.02381	26.8
100.03905	1.2
103.07556	6.8
113.05968	4.9
116.03417	14.9
117.39382	1.1
124.06704	1.8
124.07548	28.5
131.07007	1.5
142.08578	10.9
146.05879	1.2
160.09674	2.2
166.08556	2.0
174.11263	2.3
184.09602	18.1
202.10684	26.6
202.12456	1.3
220.11707	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1739
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05501	16.7
55.36818	1.8
57.07048	2.1
59.94096	2.3
67.05479	29.1
69.07039	15.0
71.04962	25.2
79.05470	18.8
81.07027	51.4
83.04922	2.3
83.08564	3.1
85.06503	4.3
89.91906	2.0
91.05439	37.7
93.07008	50.8
95.08559	41.5
97.06499	3.1
98.97540	4.8
102.27757	2.5
105.06989	100.0
107.08550	40.8
109.04857	2.2
109.06485	3.7
109.10119	23.0
115.05386	3.7
117.06992	10.8
119.08531	55.9
121.10082	25.4
123.08028	8.8
123.11674	3.0
125.09585	11.2
128.06165	2.5
129.06973	9.1
131.08505	33.7
133.10083	87.2
135.11650	13.3
137.09557	4.7
141.06924	3.8
144.09396	2.1
145.10081	37.1
147.11598	19.3
149.13228	3.4
157.10242	2.7
158.07179	2.6
159.11600	32.3
161.13235	19.0
173.13148	16.6
174.06667	13.2
175.14742	4.1
189.09070	10.7
191.14316	3.4
191.17926	2.9
201.08987	4.5
201.16327	35.0
219.10085	10.8
219.17349	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	Bisacumol
Peak:m/z	Relative Intensity
51.44018	1.0
55.05499	10.3
67.05480	5.6
69.07034	3.0
70.06576	1.4
71.04961	7.4
79.05467	17.5
81.07022	16.6
83.04953	1.9
88.07628	1.9
89.07954	1.5
91.05447	38.3
91.05958	2.5
91.66760	1.3
93.07034	12.6
95.04916	2.8
95.08588	3.2
95.75929	1.3
97.06510	1.7
103.05419	1.5
105.04479	1.6
105.07001	100.0
106.44212	1.5
107.08557	9.0
109.10131	3.2
115.05434	2.1
115.96513	1.3
117.06989	6.0
119.08535	12.1
121.10102	7.9
125.09613	9.0
130.07780	2.1
131.08549	19.2
133.09074	2.9
133.10089	86.9
145.10065	10.4
147.11655	3.1
159.11653	8.8
161.13196	3.1
201.16379	5.0
218.21204	1.8
219.17433	7.6
219.21487	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	219.1739
Annotation	Bisacumol
Peak:m/z	Relative Intensity
53.00279	1.9
53.29688	1.3
55.05478	10.2
57.07052	2.9
59.90321	1.2
67.05473	7.1
69.07030	3.7
70.06570	2.8
71.04966	11.6
77.03815	1.3
79.05462	22.5
81.07029	16.2
83.04958	1.5
88.07594	3.1
89.07912	2.1
91.05443	37.5
93.07008	22.1
95.04951	3.3
95.08565	5.8
97.06488	2.3
103.05418	1.5
105.06991	100.0
106.08586	1.7
107.08518	10.5
109.10124	3.0
117.06933	7.0
118.07750	1.6
119.08532	11.7
121.10060	7.4
125.09579	8.8
131.08534	17.9
133.10083	93.1
145.10085	14.1
147.11649	5.9
159.11661	5.4
161.13185	3.1
173.13112	1.5
187.80257	1.7
201.16324	7.0
201.20381	2.0
218.21005	3.1
219.17282	10.9
219.21434	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	219.1739
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05493	23.5
65.08525	1.8
67.05474	14.0
69.07050	8.7
71.04967	26.0
79.05466	9.0
79.46414	1.9
81.07024	24.3
83.04942	2.2
83.08588	3.3
84.50925	2.1
89.81659	2.1
91.05450	27.3
93.07007	27.4
95.08564	34.3
97.06471	2.8
98.97556	3.5
105.06291	3.2
105.07000	100.0
107.08556	30.5
109.06543	2.9
109.10127	16.6
116.98537	2.2
117.07018	8.7
119.08549	54.8
121.06499	2.2
121.10088	33.7
123.08057	4.1
123.11639	3.1
125.09572	8.7
129.06956	5.2
129.43073	2.2
131.08530	32.9
133.10086	93.4
133.11061	4.2
135.11664	8.4
141.06926	3.8
145.10107	29.9
147.11641	14.0
159.11597	21.7
161.13237	8.8
163.11118	3.3
173.13228	11.8
174.06731	12.4
175.07359	3.9
175.14758	3.3
179.38405	2.5
189.09151	3.5
201.09171	3.1
201.16304	34.2
219.09981	3.8
219.17369	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	219.174
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.37670	1.9
55.01276	1.8
55.05482	11.0
65.85666	2.1
67.05485	4.9
69.07027	3.7
71.04961	22.0
76.56091	2.5
79.05457	10.7
81.07021	12.0
91.05449	39.3
93.07002	28.1
95.08549	21.5
105.06289	3.5
105.07000	100.0
107.08568	19.8
109.10133	7.9
117.06953	8.5
119.08527	34.3
121.10075	8.9
123.08043	2.3
125.09506	3.3
129.06944	3.7
131.04868	4.1
131.08490	17.2
133.10088	96.6
137.09613	3.0
141.08403	2.4
145.10091	14.6
147.11649	9.9
159.11623	17.6
173.13293	7.9
174.06598	3.4
178.68120	2.3
189.09015	3.0
201.16310	14.2
219.17329	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	219.1011
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03409	2.2
70.69661	1.1
91.05454	13.4
95.04912	1.4
95.51964	1.3
102.69320	1.2
103.05443	2.7
115.05410	11.8
116.06197	2.5
117.06981	2.4
128.06207	12.3
129.06958	54.4
130.07739	5.7
131.04889	12.8
131.08525	45.3
133.10083	1.5
137.05948	5.6
141.06950	48.3
143.04875	1.8
143.08482	1.4
144.05650	10.2
145.06450	10.7
146.07216	8.0
157.06445	25.1
158.07239	33.7
159.04333	6.4
159.07996	23.6
160.05144	8.5
161.09572	2.2
168.05733	1.8
169.06390	17.0
169.07597	1.7
170.07219	10.8
171.07936	1.9
173.05920	8.9
174.06700	100.0
175.07512	11.4
186.06697	28.3
188.08266	5.3
189.09050	85.7
189.11610	1.3
191.10634	6.3
198.53725	1.1
201.09056	35.0
219.10101	82.8
219.17380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.46021	0.8
54.85910	0.8
55.01857	5.8
55.05495	24.3
57.07053	4.8
59.04987	0.8
62.19400	0.8
66.82211	1.0
67.05476	7.9
69.03394	2.2
69.07047	34.9
71.04971	6.6
71.05334	0.9
74.63399	0.9
79.05460	11.2
81.07024	30.0
83.08589	17.5
85.06522	6.5
91.05442	1.6
93.07014	32.5
95.08572	62.0
97.10132	16.2
99.08054	39.9
101.02908	0.8
105.06985	7.7
107.08024	1.2
107.08559	61.3
109.10142	15.0
111.08050	20.3
113.09636	4.6
121.10099	99.6
123.08070	1.4
123.11654	2.0
125.09608	10.0
127.14121	0.9
135.11633	21.6
137.13231	12.4
139.11151	2.1
141.62892	1.0
149.13205	5.0
177.16318	100.0
195.17390	13.6
213.18414	11.9
234.42247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.2
55.01848	3.3
55.05487	22.9
56.05000	11.1
57.03409	15.9
57.07061	2.3
58.06549	3.5
65.83173	2.2
67.05479	79.3
69.07032	21.3
70.06557	40.5
71.04958	27.2
72.04479	38.4
73.05273	5.5
77.52655	2.5
79.05460	45.4
81.07018	88.8
81.45284	2.4
82.06551	5.4
83.04938	13.8
83.08577	4.1
84.08123	6.1
85.06489	13.6
86.06040	27.2
91.05432	19.2
93.07015	38.1
94.06532	6.0
95.04917	12.8
95.08567	44.8
96.08070	22.0
97.06493	20.5
98.09649	11.9
99.08039	9.9
105.06993	25.8
107.08553	10.3
108.08079	5.2
109.06480	9.9
109.10105	15.4
110.09623	5.4
111.07994	4.4
119.08513	22.2
121.10071	2.9
123.08027	3.6
128.42497	2.7
133.10095	11.5
135.11647	5.6
137.09583	3.2
161.13194	11.3
168.07387	7.4
178.15797	4.2
179.14304	3.4
180.25009	2.4
180.59312	2.4
196.16911	38.9
202.40833	2.7
214.17921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.2
55.05497	24.3
57.07051	5.7
57.35987	1.0
67.05474	7.5
69.03389	2.2
69.07043	30.9
71.04961	6.5
79.05455	9.9
79.08574	1.2
81.07029	31.8
83.08590	16.7
85.06498	6.9
89.00027	1.1
91.05424	2.3
93.07003	29.9
93.96430	1.2
95.08573	69.3
97.10133	12.9
98.97607	1.2
99.08050	26.6
105.06973	7.4
107.08565	66.2
109.10119	15.3
111.08051	19.5
113.09581	2.8
119.08498	2.3
119.65112	1.2
121.10098	99.9
123.11642	2.4
125.09642	8.5
128.31975	1.1
135.11665	18.5
137.13226	15.3
139.11194	1.6
148.76469	1.2
149.13179	6.8
164.25198	1.2
177.16324	100.0
195.17361	11.0
213.18391	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	213.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02619	0.8
54.80356	0.7
55.01860	6.2
55.05249	0.8
55.05497	20.6
57.07050	4.1
60.25512	0.7
67.05482	6.6
69.03401	1.8
69.06686	1.2
69.07045	29.6
71.04977	5.9
72.76497	0.8
79.05463	11.1
79.64529	0.7
80.38659	0.7
81.07028	26.0
83.08588	17.9
85.06517	6.5
91.05439	3.2
92.45224	0.7
93.07004	28.8
95.08571	59.4
95.68531	0.7
97.10131	12.8
99.08054	35.1
100.06322	0.8
105.07014	5.3
107.08562	57.9
109.06441	1.0
109.10130	14.0
111.08044	19.5
111.11691	1.3
113.09602	3.1
119.08517	1.5
121.10101	90.2
123.11662	1.6
125.09605	7.1
133.10101	0.8
135.11655	17.5
137.13226	11.6
139.11150	0.9
149.13214	4.8
177.16324	100.0
187.62399	0.9
195.17393	14.0
195.79703	0.8
213.18411	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	213.148
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05490	36.4
56.96547	2.5
57.07061	17.7
58.90540	2.0
67.05463	14.3
69.07030	10.3
79.05453	12.6
81.07017	18.4
82.82299	2.3
83.04951	15.0
83.08593	4.2
85.06499	4.2
88.07141	1.8
88.07590	21.9
90.90350	2.1
91.05440	8.5
93.06992	26.2
95.04948	2.8
95.08572	15.7
97.06483	12.7
97.10152	2.0
97.33688	1.8
98.97554	2.8
105.06990	9.1
107.08567	25.8
109.06478	3.5
109.10087	3.0
111.04401	100.0
117.06963	2.3
119.08532	3.1
123.93051	2.0
125.05946	43.8
134.11525	2.0
135.08002	22.7
135.11656	19.2
137.13213	2.1
137.50987	2.2
139.07610	2.3
143.08510	2.4
145.10066	18.1
145.87535	2.1
149.13208	2.7
149.93974	4.3
153.12628	3.4
163.11166	16.0
181.12180	35.1
195.13768	4.0
204.38519	2.2
213.16125	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67496	0.5
55.01846	1.1
55.05493	7.8
57.07050	0.8
67.05482	8.5
69.03397	1.0
69.07050	8.3
71.04956	5.3
75.30337	0.6
78.04671	1.4
79.05450	6.9
81.06618	1.1
81.07032	18.2
83.04967	3.2
83.08587	3.1
85.06515	1.3
91.05439	9.6
92.09261	0.9
93.07005	18.4
95.04913	3.7
95.08568	30.2
97.06467	3.2
99.08041	3.4
103.05443	0.9
105.06996	22.1
106.04120	1.1
107.08557	31.1
109.06460	3.7
109.10112	20.5
109.10785	1.3
111.08060	7.4
113.09624	1.3
119.08537	55.0
121.06461	0.8
121.10118	7.1
123.04371	9.0
123.07989	5.4
123.11638	7.5
124.05119	0.7
131.08485	1.5
133.10085	100.0
135.11642	40.2
137.09587	15.8
147.11670	5.6
149.13251	1.5
151.07451	2.7
151.11200	1.1
151.14758	1.1
152.04604	0.9
153.12581	0.9
165.12726	1.4
167.06975	36.5
175.13225	1.8
175.14760	53.9
179.06947	4.5
193.08527	0.8
193.15865	8.2
211.09468	0.9
211.16908	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	213.1116
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
55.01859	0.7
57.54670	0.7
60.45852	0.6
62.57674	0.7
67.05482	0.8
69.07018	0.8
78.04682	3.2
79.05465	11.4
80.56023	0.8
81.03362	0.8
88.07623	1.2
91.05447	12.2
93.07025	1.1
95.04935	4.8
95.16750	0.8
98.97579	1.1
103.05402	7.8
105.07014	7.4
106.04143	3.3
107.04920	62.8
107.08572	1.7
109.06464	1.4
115.05414	5.4
117.06998	1.0
120.05669	3.6
121.06435	1.3
121.10112	1.4
122.03604	0.8
123.04369	8.5
124.05173	5.6
126.11507	0.8
131.04895	3.2
133.06377	0.9
134.07436	0.9
135.08032	15.2
137.05893	3.2
139.03850	1.1
144.59369	0.7
145.07542	1.0
147.04405	1.0
151.03880	1.3
152.04646	3.4
154.06233	1.7
163.07484	19.3
163.08777	1.1
165.05388	1.6
167.06976	100.0
173.02824	0.9
180.07794	1.7
195.10127	10.4
213.11159	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	211.1689
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
54.80558	2.4
55.05493	24.2
57.07057	3.3
57.93729	2.4
61.44934	2.7
67.05485	38.8
69.03401	11.8
69.07040	20.2
71.04961	6.3
79.05455	11.2
81.07034	43.3
83.04932	11.4
83.08582	10.7
85.06514	4.1
87.44071	2.5
91.05443	5.1
93.06987	16.2
95.04919	6.0
95.08572	47.3
105.06986	9.3
107.08549	29.7
109.06459	12.5
109.09409	4.5
109.10126	100.0
110.95805	2.6
111.08057	5.2
119.08568	27.0
121.10109	12.7
123.08012	15.2
123.11668	12.3
125.45133	2.8
133.10088	15.3
135.11652	58.5
137.09587	20.4
151.11159	13.9
151.14752	10.9
154.57953	2.4
160.15013	3.0
167.06953	3.3
175.14778	19.8
193.15799	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
54.35220	0.7
54.80980	0.6
55.01856	0.9
55.05239	1.0
55.05495	19.5
57.03406	1.7
57.07053	5.5
59.04974	0.9
66.92895	0.7
67.05479	32.8
69.03399	10.0
69.07038	22.2
71.04959	5.0
71.08611	1.4
73.15713	0.7
73.16135	0.7
74.80903	0.8
78.47872	0.7
79.05465	7.6
80.94073	0.8
81.03377	0.9
81.07024	34.2
83.04949	13.5
83.08595	11.3
84.49638	0.8
85.06502	4.4
91.05439	7.3
92.08762	0.7
93.07001	17.4
95.04913	4.4
95.08564	56.7
97.06487	4.8
97.10102	3.1
97.15617	0.7
99.08061	4.4
105.06996	12.7
107.08559	28.7
109.06480	13.3
109.10118	100.0
109.52084	0.7
111.08045	19.0
112.42418	1.0
113.00979	0.7
113.09586	1.1
119.08531	31.8
121.10096	17.6
123.04406	3.6
123.08024	26.3
123.11639	13.3
125.09570	3.1
131.08487	0.7
133.10077	31.2
135.11644	44.7
135.12686	1.6
137.09566	43.4
137.13246	1.1
138.10384	5.7
139.11134	3.3
145.10106	0.8
147.11667	1.5
149.13187	6.0
151.11147	7.5
151.14774	8.3
165.12730	2.8
165.16368	1.3
167.06960	10.6
175.14737	31.9
179.07021	1.4
189.65451	0.7
193.15797	18.2
194.07835	0.8
211.16869	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03928	1.0
54.18220	0.9
55.05495	19.6
57.03386	0.9
57.07055	6.1
59.04983	2.0
67.05479	34.7
69.03416	8.1
69.07041	21.6
71.04961	2.1
73.03922	1.2
73.59092	0.9
77.91124	0.9
79.05450	7.5
81.07028	35.1
83.04945	16.6
83.08582	6.9
85.06518	4.7
91.05441	6.4
93.07006	19.0
95.04935	4.7
95.08572	47.2
97.06501	1.3
97.10112	2.4
99.08065	11.2
105.07020	11.2
107.08552	27.5
109.06489	11.6
109.10123	100.0
111.08048	4.6
113.09630	1.4
119.08532	28.7
120.09412	1.0
121.10066	13.9
123.08038	20.7
123.11660	12.9
125.09600	1.3
133.10077	34.6
135.07983	1.2
135.11653	51.5
135.12692	1.8
137.09595	16.6
138.10350	1.3
147.11584	1.1
149.13228	4.5
150.58180	1.2
151.11145	7.7
151.14764	7.2
151.68742	1.1
153.12799	1.0
165.16354	2.4
167.06969	1.4
175.14751	24.1
175.16158	1.4
175.67841	1.3
193.15843	15.6
211.16957	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	211.1688
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03907	1.0
53.26437	0.9
55.05497	18.6
57.07051	5.3
59.04967	2.4
65.03923	1.2
67.05482	35.9
69.03398	12.7
69.07037	30.2
70.38685	1.0
71.04969	4.4
71.08606	1.1
79.05460	8.2
81.03410	1.1
81.07018	36.2
83.04939	15.5
83.08599	9.0
85.02877	0.9
85.06500	5.3
87.39253	1.1
88.96516	1.1
89.05066	1.0
91.05445	6.5
93.07014	15.7
95.04938	6.2
95.08565	50.3
97.10139	4.6
99.08053	10.4
105.06997	13.0
107.08559	27.9
107.09232	2.1
109.06482	8.9
109.10120	100.0
111.08052	5.6
113.09592	1.4
119.08540	29.7
121.10111	15.6
123.08010	19.5
123.11651	12.8
125.09544	2.3
131.08551	1.2
133.10080	34.3
135.11641	45.9
137.02264	1.5
137.09575	17.5
147.04439	1.6
147.11656	4.2
149.13239	5.0
151.11145	10.6
151.14758	8.6
153.12682	2.1
165.16315	1.7
167.06955	3.9
175.14787	21.9
181.66255	1.2
193.15842	14.8
193.50240	1.1
211.16977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.80070	3.1
52.77312	2.8
52.89026	2.9
53.03923	9.0
54.06070	3.0
55.01861	4.5
55.05497	35.2
56.96553	34.2
57.03159	3.5
57.03421	77.5
57.07072	4.8
58.20950	3.3
65.03912	7.2
65.45296	3.3
67.05484	45.3
69.03389	4.8
69.07037	24.0
71.04958	8.9
79.05468	57.7
81.03361	4.4
81.07032	42.0
81.25444	4.6
83.04932	7.2
83.08604	5.1
83.26626	3.8
84.95992	5.4
85.86999	3.4
91.05450	100.0
91.42004	3.2
92.09270	4.6
93.07014	54.9
95.04953	31.5
95.08575	30.2
97.06533	3.6
97.10104	4.1
105.06985	19.7
107.04936	6.4
107.08578	20.4
109.06487	24.3
109.10146	20.6
116.32805	3.9
117.06982	21.6
119.08553	32.3
121.10096	5.6
123.08046	4.9
125.09610	5.2
142.19392	4.8
147.11629	5.1
151.44370	3.8
167.06978	6.0
199.10204	3.3
215.52475	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	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.00290	0.8
53.03928	0.8
54.81003	0.6
55.01604	1.2
55.01857	21.7
55.05246	1.1
55.05496	21.7
55.50424	0.5
56.96535	2.4
57.03412	3.0
57.07050	2.7
65.03901	0.5
67.05484	37.7
69.03405	0.7
69.07045	19.2
71.04964	6.0
78.04672	0.6
79.05464	25.3
81.03380	0.7
81.07028	100.0
83.04966	6.7
83.08585	7.1
85.06507	7.4
87.18356	0.5
91.05448	33.9
91.40341	0.5
93.07016	15.0
95.04932	4.6
95.08575	22.2
97.02868	0.7
97.06505	5.8
98.54772	0.5
99.08044	1.3
103.05419	1.0
105.07000	38.5
107.08558	8.9
109.06490	6.5
109.10106	1.1
117.07021	0.8
117.51723	0.6
119.08543	29.1
121.10107	16.6
123.04412	1.3
123.07999	4.1
123.11665	19.4
124.05161	1.0
127.07481	0.6
129.06949	2.5
131.08545	1.0
133.10086	8.2
137.13184	0.7
147.11644	31.0
149.09523	0.8
154.85603	0.6
157.10080	1.3
165.12650	4.8
167.06979	15.4
167.08269	1.0
175.11198	2.1
193.12225	3.7
211.13077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01835	0.3
55.24966	0.3
56.96344	0.2
56.96547	4.5
57.03412	0.5
59.81194	0.3
67.05473	0.4
69.03391	1.3
71.04926	0.3
73.02874	0.5
78.04680	4.4
79.05465	2.4
81.03359	0.5
81.07019	0.5
82.41289	0.3
84.96004	0.8
85.02854	0.7
89.28220	0.3
91.05445	2.3
93.07003	0.6
95.04918	1.5
97.02845	1.7
98.97565	3.1
103.05434	0.4
105.03329	1.0
105.04513	0.3
105.06975	0.5
106.04136	3.0
107.04916	2.0
109.02837	0.5
111.04412	1.4
115.05376	0.4
116.98563	1.9
119.01770	0.4
119.04900	0.4
121.02824	9.8
121.03725	0.6
121.06463	0.7
122.03584	0.4
123.04385	13.9
124.05152	4.3
128.98589	0.7
129.05440	0.5
130.05812	0.4
133.06454	0.5
134.03575	0.5
134.05977	4.1
134.99608	0.7
137.02246	0.4
137.05894	1.4
141.55191	0.4
146.99597	1.2
147.04349	0.7
147.80577	0.3
149.05933	0.6
151.03864	3.1
152.04655	3.5
152.07008	4.0
161.01167	1.5
167.06973	100.0
177.00554	0.4
181.08595	0.5
189.00713	0.6
193.08565	1.4
211.10762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.096
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03926	0.8
55.01854	3.1
65.03911	1.2
65.60823	0.7
65.94646	0.8
67.05473	5.2
68.99780	1.1
69.03421	0.8
69.42505	0.6
78.04694	0.8
79.05465	10.8
81.03394	1.0
81.07030	1.2
81.17993	0.6
81.26908	0.7
83.04971	0.7
86.90720	0.7
88.56560	0.6
91.05450	15.1
92.06245	0.9
93.07025	2.8
94.04120	0.8
95.04943	11.6
95.08566	3.6
103.05434	6.2
105.03374	1.0
105.06998	20.2
107.04929	4.6
107.08535	0.8
108.05692	1.1
109.02843	0.8
109.06560	2.5
110.03635	3.3
111.04400	1.1
115.05430	1.0
118.04124	7.4
119.04903	10.4
120.05681	1.2
121.02834	1.5
121.06454	3.4
122.07217	1.8
123.04388	70.7
123.08002	6.6
124.05124	1.0
131.04866	0.9
133.06459	12.1
135.04393	3.0
135.07991	1.6
136.05211	1.1
137.05919	4.5
147.04382	9.1
149.05922	3.7
150.06680	8.9
151.03886	5.7
151.06287	1.4
151.07500	38.7
161.05928	1.2
161.07079	2.6
165.09067	4.4
167.07018	7.3
174.68153	0.7
179.06973	100.0
180.07722	1.1
182.44986	0.8
193.08545	14.0
201.02928	0.8
211.09622	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	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01847	0.3
57.07063	0.3
61.29676	0.3
63.11863	0.3
64.11979	0.3
67.05456	0.4
67.31039	0.3
69.43746	0.3
78.04672	4.8
78.57600	0.3
79.05460	2.1
81.03417	0.3
81.07022	1.9
88.64947	0.3
91.05441	1.5
92.87035	0.3
93.07011	0.3
95.04927	0.7
95.08579	0.4
105.06988	1.3
106.04148	3.9
107.04914	1.5
109.10119	0.4
119.08583	0.3
121.06443	0.7
122.03567	0.4
123.04389	13.8
123.11708	0.3
124.05170	5.5
133.06410	0.6
134.03543	0.6
137.05960	1.3
147.11646	0.4
151.03854	2.5
152.04620	3.5
161.56630	0.3
167.06979	100.0
175.83882	0.3
179.06911	0.7
181.08470	0.5
181.10069	0.3
184.10800	0.3
193.08537	0.7
202.68481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	30.2
56.96529	5.4
57.07038	3.7
58.06573	6.1
67.05479	8.8
69.07048	21.1
69.59776	0.7
70.06567	34.7
71.08611	1.0
81.07033	14.6
83.08593	9.7
83.97583	1.1
84.08097	4.4
85.94609	0.8
95.08556	8.9
95.22435	0.8
97.10085	2.7
109.10083	1.4
128.14246	0.8
133.98796	0.9
163.97585	1.2
181.98790	1.2
210.22110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31580	0.2
52.21484	0.2
52.73311	0.2
53.03917	0.4
54.81342	0.3
55.05487	1.0
57.03414	0.6
57.55243	0.2
67.05486	1.9
69.07037	1.5
71.04958	1.4
78.04675	4.9
79.05467	2.6
81.03371	0.5
81.07017	2.3
83.04947	0.4
83.08599	0.4
85.06516	0.4
90.03394	0.4
91.05434	2.2
93.07002	2.4
95.04928	2.3
95.08565	2.3
96.05690	0.3
97.06484	1.2
99.04385	0.4
99.07990	0.3
100.71859	0.2
103.05444	0.5
105.07010	2.3
106.04138	3.5
107.04913	1.5
107.08543	2.3
109.02837	0.4
109.06470	1.0
109.10132	2.8
111.04409	0.2
111.08072	0.3
119.08522	1.9
121.06451	0.6
121.10085	0.5
122.03577	0.9
123.04386	12.1
123.08029	1.2
123.11661	1.4
124.05151	4.8
128.00726	14.3
128.01688	0.5
129.01453	0.3
133.06447	0.5
133.09125	0.3
133.10043	1.6
134.03583	1.2
135.11656	2.4
137.05910	0.9
137.09589	0.3
139.07442	0.2
146.01750	0.4
147.11575	0.4
149.05910	0.5
149.13196	0.4
151.03839	2.3
151.07491	0.5
151.11151	0.6
152.04634	3.6
161.05954	0.3
165.05435	0.3
167.06976	100.0
175.14771	1.5
179.06911	0.9
184.39990	0.2
193.08540	1.5
193.15765	0.9
211.05519	1.4
211.09734	0.3
211.16817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03920	1.2
54.94478	0.9
55.01846	1.9
55.05495	48.9
55.05764	1.7
56.96548	10.0
57.03407	1.7
57.07047	2.1
59.04972	1.9
60.48082	0.8
63.73565	0.8
65.03907	1.6
67.05482	7.6
69.03397	5.6
69.07027	7.0
71.04968	9.7
71.51250	0.9
74.97576	1.0
76.11608	1.0
79.05434	7.8
81.03397	1.6
81.07023	17.3
83.04949	30.0
83.08584	22.5
84.14420	0.8
85.06519	1.6
91.05429	8.1
93.07013	13.4
94.95165	1.1
95.04931	100.0
95.08559	7.0
97.02863	1.4
97.06502	9.9
97.10146	4.1
98.97547	5.3
99.04409	8.0
100.99095	1.2
105.06994	10.3
107.04915	0.9
107.08551	16.3
109.06487	38.0
109.10132	17.4
111.08044	7.2
116.98595	2.2
119.01825	1.2
119.08510	2.0
121.10092	19.0
123.08049	1.3
123.11650	6.6
125.09588	6.7
131.00096	2.1
131.08505	5.3
133.10086	20.5
134.99606	1.4
135.08026	4.9
143.08530	1.5
149.01192	6.2
149.13235	5.2
150.96902	1.4
151.11133	16.8
153.09038	15.3
158.10884	1.1
163.14737	1.3
167.02222	5.0
167.14252	22.1
173.13225	5.9
186.99136	1.9
191.02240	2.0
191.14220	6.0
194.80043	1.1
209.15288	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	210.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	5.3
55.05477	4.8
56.96294	6.1
56.96548	100.0
57.03418	17.9
61.02896	6.3
69.03399	51.8
70.06549	4.9
70.80769	3.5
71.04962	7.0
73.02876	8.4
81.03383	17.2
83.04948	20.7
84.08147	5.3
85.02873	49.9
86.03220	4.9
87.04433	23.0
88.63913	3.7
95.04936	20.4
97.02870	46.2
98.97540	57.3
99.04416	9.7
100.21713	4.3
110.97533	5.6
111.00757	5.3
111.04404	22.6
112.99085	6.6
116.98567	24.8
119.01821	7.5
122.20892	4.8
128.98593	9.0
129.01730	8.0
129.05440	31.5
131.00154	7.5
131.01808	6.0
133.03387	5.3
134.99614	5.7
139.00171	4.9
139.03857	5.5
143.00150	7.1
147.04335	5.1
147.06517	9.9
149.01118	5.1
150.05499	4.7
157.01431	6.5
157.04852	6.2
161.01157	7.4
161.02870	5.1
177.00745	6.2
186.98997	6.7
187.02782	9.0
187.04443	6.8
190.98546	8.1
210.11148	5.5
211.32027	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	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03924	1.5
55.01853	1.0
55.05496	100.0
57.03412	1.8
57.07050	1.9
59.04976	4.0
59.53289	0.7
60.53476	0.7
61.17962	0.6
67.05476	11.3
69.03409	8.3
69.07037	6.3
71.04954	1.9
73.52172	0.8
77.00411	0.7
79.05467	7.6
81.07030	17.5
83.04950	62.8
83.08590	37.6
85.06510	1.9
88.33208	0.8
91.05446	6.9
92.09407	1.0
93.07008	12.9
95.04936	13.5
95.08561	9.4
97.06485	11.5
97.10126	8.8
99.08042	3.3
105.06998	8.9
106.04120	1.6
107.08552	24.0
109.06487	28.1
109.10120	21.7
111.08038	11.8
112.08848	1.0
113.09554	1.4
119.08559	1.8
121.06461	1.3
121.10112	12.8
123.08012	1.6
123.11646	11.2
125.09587	15.8
129.06918	0.9
131.08530	3.9
133.10086	15.3
135.08023	3.1
139.07532	1.1
143.08571	1.3
145.10101	1.1
147.11638	3.2
149.09587	6.0
149.13216	8.7
151.11139	34.4
153.09076	5.6
158.10822	1.9
167.14259	43.6
173.13214	4.8
191.14207	5.8
195.22972	0.8
209.15291	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.99002	0.4
53.03934	1.0
55.01850	0.7
55.05497	5.1
57.07052	0.9
65.03911	0.8
66.37051	0.5
67.05480	7.5
69.03403	9.0
69.07031	6.8
71.04946	0.9
79.05457	11.4
81.06554	0.9
81.07026	24.2
83.04948	0.8
83.08579	1.0
91.05447	17.7
93.07004	6.5
95.04919	1.1
95.08571	3.8
104.00774	0.5
105.06996	16.4
107.00300	0.5
107.04890	2.0
107.08562	37.4
108.44643	0.5
109.06480	16.2
109.10127	12.6
115.05415	6.6
116.06200	0.6
117.05637	0.5
117.06990	8.4
119.06008	1.1
119.08551	6.0
121.06451	2.4
121.10106	23.3
122.07243	16.0
123.08071	3.7
123.11623	0.7
131.08549	4.2
133.10088	100.0
135.08005	25.9
135.11641	1.1
137.09573	88.7
143.08482	0.8
145.10059	1.3
147.11630	1.3
149.13222	14.5
151.11159	3.1
158.10851	3.1
163.14696	0.7
173.13252	5.0
191.14244	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	209.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05495	52.1
57.07050	2.2
59.04993	2.1
65.03924	1.6
67.05490	9.0
69.03398	1.6
69.07035	11.3
71.04960	4.0
79.05456	11.2
81.07040	8.4
83.04951	28.0
83.08598	18.9
85.06532	2.2
91.05472	7.9
93.07014	46.8
95.04939	71.7
95.08587	6.9
97.06486	3.8
97.10128	4.1
99.04436	8.2
99.27624	1.0
105.06999	9.3
107.07884	2.0
107.08565	38.6
109.06499	5.2
109.10115	8.9
111.08056	8.9
119.08544	4.6
121.10106	100.0
123.07977	1.0
123.11664	4.4
125.09607	5.3
133.10109	5.8
135.11670	4.6
149.13213	2.3
151.11136	15.4
153.09045	8.9
157.06221	1.0
163.14774	14.7
167.14268	15.3
173.13254	1.4
191.07285	1.0
191.14281	7.2
209.15327	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
55.05498	49.6
56.88787	0.8
57.07050	2.0
59.04979	5.0
66.34258	1.0
67.05469	5.3
67.67910	1.0
69.03418	1.3
69.07044	12.0
71.04951	1.7
76.61092	1.0
79.05460	12.6
81.07021	9.6
83.04951	24.3
83.08591	20.9
85.06526	1.5
91.05453	8.4
93.07011	51.1
95.04937	43.1
95.08557	6.0
97.06491	1.9
97.10136	4.6
99.04422	4.8
105.07013	8.3
106.04095	1.1
107.08567	34.9
109.06494	8.8
109.10134	10.7
111.08054	5.3
119.08522	2.2
121.10104	100.0
123.08037	1.2
123.11665	5.1
125.09586	6.6
131.08513	1.3
133.10075	6.0
135.11681	2.3
149.13158	3.8
151.11139	15.0
153.09070	6.2
163.14769	15.2
167.14258	18.1
170.88678	1.1
173.13182	1.7
191.14201	3.7
209.15312	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	209.1531
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03924	2.3
55.05494	100.0
57.03426	1.4
59.04984	2.3
59.22530	1.3
67.05479	8.5
69.03417	3.5
69.07040	10.0
71.04968	2.6
78.97729	1.6
79.05459	9.0
81.07027	13.9
83.04945	48.9
83.08582	39.7
85.06506	2.7
91.05444	7.2
93.07011	30.4
95.04916	27.7
95.08567	9.5
97.06490	6.4
97.10141	7.2
99.04398	1.6
105.07011	11.7
107.08555	29.4
109.06493	16.8
109.10115	21.5
111.08042	7.8
112.08782	2.5
121.10095	59.9
123.11678	8.2
125.09605	7.7
131.08553	1.9
133.10100	8.6
145.12569	1.9
149.13237	3.1
150.89116	1.8
151.11134	28.6
152.22095	1.8
153.09070	8.7
163.14767	7.1
167.14261	38.4
185.75267	1.8
209.15306	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	209.1531
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.80882	1.4
54.81399	1.1
55.01838	1.5
55.05485	8.1
58.82783	1.2
63.00253	1.2
67.05476	10.2
69.03410	11.2
69.07030	2.6
79.05460	13.6
81.07019	27.2
83.69060	1.3
89.31655	1.3
91.05436	21.7
93.06992	7.4
95.04923	5.7
95.08566	5.9
105.06989	19.1
107.04913	1.5
107.07816	1.5
107.08553	40.5
109.06486	18.6
109.10102	16.0
115.05402	6.4
117.06951	8.2
119.06026	2.8
119.08538	5.7
121.06438	6.4
121.10107	25.6
122.07234	13.9
123.07995	2.4
131.08517	5.6
133.10077	100.0
135.07997	25.3
137.09563	81.4
145.10094	1.4
147.11623	2.0
149.13214	15.2
151.11185	2.0
163.14742	1.6
173.13141	2.9
191.14259	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	209.0805
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.96635	1.2
52.03168	1.1
52.98677	0.8
52.98978	0.8
53.03927	10.7
55.01859	15.2
55.76090	1.1
57.03412	1.2
65.03918	15.4
67.05473	2.7
68.16919	1.1
71.04965	1.5
75.04448	10.1
77.03898	2.0
78.04261	1.9
78.04680	21.1
79.05461	11.4
79.16299	1.1
81.03389	2.3
81.07024	1.9
82.04147	1.4
85.02867	6.3
89.03876	8.8
89.05988	1.9
91.05449	60.4
91.06021	2.4
92.08701	1.3
93.03378	15.2
93.07000	13.3
95.04932	25.9
97.06467	10.5
103.05421	20.0
105.03352	2.0
105.04483	5.3
106.04140	100.0
106.89092	1.0
107.04938	4.5
109.06480	7.4
111.04422	2.0
117.03329	6.2
119.04932	2.8
120.05692	4.7
121.06464	74.3
122.07245	1.6
123.04389	2.8
123.08029	1.5
124.05120	1.9
125.05947	11.7
131.04877	2.3
132.05632	1.3
133.02832	1.3
133.07712	1.1
134.03592	14.8
135.04404	2.1
135.08110	1.1
136.11023	1.1
137.05933	22.8
138.06715	5.3
139.07492	6.3
145.02832	5.3
146.03433	1.1
148.05118	10.6
149.05931	69.6
150.50966	1.2
151.03902	2.7
151.07440	1.5
152.04625	1.4
153.05408	5.0
153.09073	15.9
163.07489	6.7
166.06137	4.2
177.05377	21.0
181.08543	11.2
191.06877	2.0
209.08064	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	209.0805
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03926	4.6
53.39377	1.0
55.01858	8.7
56.10405	1.1
58.69837	1.0
65.03914	5.4
67.05493	1.7
69.07041	1.1
71.04976	1.6
75.04446	2.7
78.04683	10.4
79.05483	2.8
81.03405	1.2
81.07020	2.0
85.02887	5.8
89.03888	29.9
91.05444	34.3
93.03370	6.9
93.06994	9.2
95.04940	17.3
97.06490	5.7
103.05421	12.7
103.17876	1.1
105.04498	1.7
105.07002	1.3
106.04140	55.7
107.04919	1.8
107.08539	2.0
108.05721	1.1
109.06476	4.7
117.03339	68.6
119.04921	1.8
121.06461	37.8
122.07275	1.1
123.04465	1.9
123.08015	1.6
125.05966	6.6
133.02910	1.3
134.03587	15.9
135.04387	7.4
137.05934	11.4
138.06699	2.1
139.07512	2.3
145.02809	95.5
147.04338	1.4
148.05179	5.9
149.05940	68.9
151.07520	1.6
153.05457	2.0
153.09058	10.7
162.03043	1.5
163.03868	6.3
163.07495	4.1
166.06128	1.6
167.06795	1.3
177.05409	100.0
181.08534	8.0
191.06950	1.8
193.81169	1.3
209.08051	6.7
209.15350	1.9
229.36786	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0803
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03923	7.4
55.01844	8.4
55.05479	5.6
57.34733	1.2
61.02887	1.7
62.91576	1.1
65.03912	7.8
67.05473	5.5
67.53217	1.2
69.03374	2.2
71.04939	1.5
75.04449	10.4
78.04680	15.7
79.05460	12.5
81.07014	5.7
83.04981	1.8
85.02881	7.2
87.13531	1.5
89.03884	7.1
91.04902	2.4
91.05448	53.8
93.03376	14.6
93.07005	16.0
95.04936	26.3
97.06471	7.2
103.05445	15.1
105.03350	2.5
105.04505	2.4
105.06978	2.4
106.04136	100.0
107.04949	3.2
107.08552	3.0
108.05741	1.8
109.06495	7.9
111.04412	2.6
117.03345	2.1
120.05685	1.7
121.06460	65.1
121.10107	2.4
123.04375	2.8
123.07981	2.7
124.05164	2.3
125.05938	13.5
131.04948	1.2
131.05949	1.3
131.08597	1.5
133.02757	1.9
133.10107	2.5
134.03560	14.3
135.04350	2.5
135.11638	2.2
137.05965	19.3
137.71884	1.3
138.06729	5.6
139.07478	6.0
148.05151	6.3
149.05933	55.5
149.09561	9.2
149.94510	1.4
151.03831	1.9
151.11136	2.7
152.08287	2.3
153.05394	2.9
153.09021	15.6
161.55118	1.4
163.07449	3.1
165.05383	1.5
166.06136	1.5
173.02927	1.8
177.05370	15.9
180.07864	1.5
181.08575	10.7
191.14177	2.4
209.08023	8.4
209.15359	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	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.12448	1.0
52.42965	1.1
53.03926	1.5
55.05491	3.1
57.03410	2.9
57.07058	2.2
67.05469	7.6
69.07037	12.5
76.46246	1.2
79.05458	5.4
80.43024	1.2
81.07023	13.0
83.04935	1.6
85.06487	3.1
87.89277	1.4
91.05428	12.7
92.09343	1.3
93.07008	30.3
95.04920	1.3
95.08566	35.5
105.07009	29.1
107.08565	64.5
109.06485	2.8
109.10105	12.3
119.07750	2.1
119.08543	50.5
120.02039	1.5
121.10098	7.7
123.08031	2.1
123.11667	3.3
131.08490	2.6
132.99855	1.3
133.10092	50.0
135.11649	100.0
137.09570	6.2
145.10101	2.3
147.10510	1.5
147.11653	35.2
149.13182	9.0
151.11163	13.0
159.11642	2.2
161.13208	6.6
162.05983	1.2
163.14760	15.6
165.12720	2.0
173.30251	1.5
189.16331	87.7
207.17409	44.5
207.69893	1.3
221.11565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0964
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
51.02285	0.5
55.05476	0.6
56.96554	0.8
59.59368	0.4
60.04501	47.6
72.86116	0.5
76.79244	0.5
79.05457	32.5
91.05463	0.5
93.51513	0.5
95.04900	0.6
103.05428	9.7
103.06546	0.5
105.07011	1.3
106.06515	56.3
107.04916	100.0
125.05919	0.7
131.04874	40.3
139.03819	0.8
148.07516	18.9
149.05878	4.0
190.08510	3.5
203.47627	0.6
220.09161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56175	2.0
53.03940	2.4
54.84169	2.3
55.05490	13.1
55.27232	1.9
57.03404	2.8
57.07045	2.5
58.63258	2.2
58.96846	2.1
59.48376	1.9
62.45481	2.4
63.62194	2.7
64.82237	2.4
67.05475	4.0
69.03385	4.6
69.07044	5.8
69.09002	2.2
71.04939	3.2
79.05447	9.8
81.07014	24.2
81.47272	2.4
83.04937	4.1
84.95994	5.0
85.06491	3.5
91.05428	17.2
93.06995	32.7
95.08575	32.3
95.46792	2.5
104.54073	2.3
105.06993	26.9
107.08561	67.5
109.10107	15.2
109.10785	2.3
113.25282	2.2
114.35507	2.5
119.01883	16.3
119.08546	42.0
120.01963	23.3
121.10091	12.5
123.08014	3.3
123.11653	10.6
133.10075	39.2
133.97392	2.9
135.11647	100.0
135.90845	2.3
137.02904	5.5
137.09578	9.8
138.03006	14.6
142.03464	5.7
143.03600	23.6
145.10117	4.2
147.11670	29.8
149.13187	3.7
151.11140	5.5
159.41087	2.6
161.04587	17.9
161.13205	2.8
163.14725	12.2
189.16315	61.8
202.59302	2.7
207.17404	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	207.1739
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05493	9.5
56.88325	1.2
57.03411	7.5
57.07059	2.0
59.06290	1.3
61.58260	1.2
62.20514	1.3
67.05482	9.5
69.07045	13.7
76.55257	1.4
79.05473	15.4
81.07026	19.3
83.04942	2.0
83.08589	2.8
85.06529	2.3
91.05454	11.9
93.07008	33.4
95.08569	38.8
97.10080	1.4
105.06997	31.3
107.08559	67.3
109.06482	6.7
109.10109	17.1
119.01878	6.5
119.08543	52.3
120.01974	8.4
121.10086	12.6
123.08032	6.8
123.11578	5.2
131.08536	3.1
133.10086	52.9
135.11652	100.0
137.09558	3.2
138.02959	2.5
142.03398	2.1
143.03584	5.9
145.10071	1.9
147.11635	35.3
149.13222	6.5
151.11160	12.8
161.04762	1.7
161.13226	6.5
163.14769	12.7
174.13913	2.5
189.16315	93.7
191.29320	1.5
203.04446	1.6
207.17360	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	207.1739
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.56175	2.0
53.03940	2.4
54.84169	2.3
55.05490	13.1
55.27232	1.9
57.03404	2.8
57.07045	2.5
58.63258	2.2
58.96846	2.1
59.48376	1.9
62.45481	2.4
63.62194	2.7
64.82237	2.4
67.05475	4.0
69.03385	4.6
69.07044	5.8
69.09002	2.2
71.04939	3.2
79.05447	9.8
81.07014	24.2
81.47272	2.4
83.04937	4.1
84.95994	5.0
85.06491	3.5
91.05428	17.2
93.06995	32.7
95.08575	32.3
95.46792	2.5
104.54073	2.3
105.06993	26.9
107.08561	67.5
109.10107	15.2
109.10785	2.3
113.25282	2.2
114.35507	2.5
119.01883	16.3
119.08546	42.0
120.01963	23.3
121.10091	12.5
123.08014	3.3
123.11653	10.6
133.10075	39.2
133.97392	2.9
135.11647	100.0
135.90845	2.3
137.02904	5.5
137.09578	9.8
138.03006	14.6
142.03464	5.7
143.03600	23.6
145.10117	4.2
147.11670	29.8
149.13187	3.7
151.11140	5.5
159.41087	2.6
161.04587	17.9
161.13205	2.8
163.14725	12.2
189.16315	61.8
202.59302	2.7
207.17404	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	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.81643	1.1
53.03917	1.9
54.81366	1.2
55.05494	9.8
57.03414	7.0
57.07050	5.5
67.05491	9.6
69.03409	5.7
69.07040	11.0
70.18916	1.2
72.61290	1.2
79.05453	10.5
81.07018	21.2
83.04973	1.7
83.08578	2.2
84.95990	2.2
85.06490	5.6
91.05434	13.1
92.08715	3.1
93.07008	38.5
95.04909	2.2
95.08566	34.8
97.00098	1.2
102.00896	1.4
105.06998	28.3
107.08560	71.6
107.93408	1.2
109.06473	2.6
109.10126	10.6
111.08030	2.0
115.96367	2.3
116.97179	1.6
119.01892	8.8
119.08541	53.7
120.01959	15.5
121.10122	13.3
123.08026	3.2
123.11676	5.3
127.07599	1.4
131.08505	2.6
133.10091	41.0
135.11646	100.0
137.02928	3.0
137.09569	7.0
138.02963	9.9
142.03481	3.3
143.03568	13.4
144.95969	1.5
145.10075	1.7
146.10797	1.5
147.11638	33.0
149.13228	6.2
151.11113	12.3
160.04482	3.4
161.04555	11.1
161.13226	3.3
163.14725	13.5
189.16325	66.1
192.62894	1.6
207.17371	40.1
207.19185	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.26222	3.4
55.05489	20.7
57.03421	7.4
57.07060	3.9
58.39979	3.8
59.09631	4.3
67.05475	10.1
69.03401	7.8
69.07032	18.0
75.84679	4.3
77.12935	3.9
79.05469	10.1
81.07034	19.1
84.96001	9.9
91.05434	17.4
93.07020	56.1
93.16024	4.0
95.08566	45.3
99.09944	4.4
105.06977	41.6
107.08559	100.0
109.06482	6.2
109.10112	10.5
118.17895	3.8
119.01868	16.5
119.08541	59.0
120.01971	44.8
121.10119	9.1
133.10101	54.0
135.11661	95.8
137.02916	8.3
137.09489	6.4
138.03014	24.4
142.03456	6.6
143.03578	39.4
147.11664	36.6
149.13283	8.1
151.11183	10.1
151.95236	4.3
161.04626	34.9
161.13179	6.0
161.79794	4.5
163.14726	10.3
189.16313	98.3
207.17422	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.45273	1.1
54.80741	1.6
55.01835	1.3
55.05489	11.9
56.96538	2.7
57.07058	1.7
59.25346	1.5
67.05476	16.8
69.03394	6.9
69.07034	10.3
71.04955	6.6
79.05451	15.4
81.07017	40.1
83.04941	3.9
83.08569	2.2
85.02877	15.7
85.03304	1.5
85.06514	13.7
91.05432	9.4
93.06995	16.5
95.04918	14.7
95.08569	21.4
97.06497	13.1
97.19479	1.5
98.17924	1.6
98.97546	34.7
101.05970	1.5
103.05403	2.0
105.07007	20.8
107.08550	18.3
109.05729	3.6
109.06482	100.0
109.10109	7.1
111.08038	57.8
116.98583	12.7
119.08528	26.0
121.10072	13.6
123.08018	13.6
123.11678	8.6
128.02277	1.6
129.06964	2.6
131.08528	8.7
133.06462	2.5
133.10098	13.0
134.99625	2.8
135.08003	8.6
137.09583	8.6
137.13220	1.6
146.07265	1.9
147.07994	6.3
147.11635	25.8
149.09583	21.8
151.07439	6.6
156.09283	13.1
158.99605	10.6
159.07986	3.6
161.05916	31.0
161.09564	16.8
161.13213	8.3
163.11116	3.3
164.08272	2.4
165.09068	4.0
165.12688	13.0
171.11632	12.6
174.10313	11.5
177.00653	11.4
179.10614	1.6
187.08028	3.6
189.09036	3.3
189.12677	23.8
196.73860	1.7
197.54128	1.7
207.13733	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.82437	0.6
55.05497	6.4
55.55439	0.6
57.03413	0.8
57.07045	4.4
59.04984	1.0
61.76929	0.7
67.05480	31.1
69.03393	1.5
69.07018	0.9
74.20992	0.9
78.75349	0.7
79.05462	6.4
81.07013	5.0
83.04946	1.0
85.06528	6.3
86.03247	0.7
91.05453	5.3
93.07001	12.6
95.04922	3.4
95.08571	100.0
97.44739	0.7
105.07002	10.5
107.08574	13.9
109.06473	3.3
109.10044	0.8
111.07996	0.7
113.05953	3.4
119.08540	15.7
121.06470	4.2
121.10098	8.8
123.08028	21.1
123.11663	4.7
131.08493	4.8
133.10091	4.4
135.11644	3.4
147.07945	3.7
147.11665	6.1
149.09567	33.9
151.14642	0.9
156.09268	3.3
159.07985	1.2
161.13206	5.7
163.11121	1.3
165.12674	5.7
171.11624	1.9
174.10349	1.9
177.95737	0.8
179.14224	0.8
189.12712	6.9
192.20107	1.0
207.13737	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.48488	2.1
53.03925	3.3
55.05497	17.9
67.05473	19.2
69.03388	6.0
69.07037	12.5
69.75998	2.4
71.04968	5.0
73.06496	3.8
79.05450	15.9
81.07029	30.5
83.04947	4.4
85.02870	16.3
85.06514	12.7
91.05444	50.6
93.07001	21.0
95.04951	6.3
95.08578	25.3
103.05473	3.9
105.07001	89.5
107.04921	14.0
107.08546	30.1
109.06488	76.2
109.10107	4.1
114.00413	2.7
115.05415	3.5
116.06205	4.1
117.06966	14.0
119.08537	100.0
120.09344	4.1
121.06461	4.8
121.10101	30.9
123.08032	42.3
128.06171	6.1
129.06955	7.1
130.07742	6.9
131.04874	4.9
131.08566	30.8
132.09299	3.1
133.06456	6.1
133.10049	27.2
137.09593	12.7
141.06949	5.6
143.01881	3.3
143.08533	10.6
145.06477	3.3
145.10051	20.6
146.07245	4.3
147.08006	17.5
147.11639	71.7
149.09563	42.3
149.62093	3.1
151.07524	6.1
156.09270	28.4
159.07961	5.3
160.08813	3.5
161.02893	6.0
161.05922	74.8
161.09595	19.0
161.13182	27.8
163.11127	13.7
171.11647	7.0
171.39621	3.1
174.10335	19.6
189.09050	19.1
189.12689	65.2
207.13756	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1012
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
51.29361	1.5
53.04135	1.6
55.01847	3.8
55.05488	3.6
56.96537	1.8
57.03414	9.5
61.02908	2.2
65.03889	1.8
67.05484	23.2
69.03403	17.4
69.07033	3.8
71.04969	3.7
73.02882	9.3
79.05465	15.3
79.18595	1.7
80.94911	1.8
81.03380	8.0
81.07023	7.6
83.04942	8.9
85.02863	8.3
90.55297	1.7
91.05442	93.0
93.07010	10.2
95.04928	11.3
95.08553	9.6
97.02843	2.2
98.97543	8.9
103.05412	3.3
105.06995	78.3
107.04939	7.4
107.08553	10.0
109.10104	7.7
115.03900	2.1
115.05400	4.2
116.98534	1.8
117.06963	20.5
119.04884	8.8
119.08541	99.0
120.09296	3.2
121.06444	2.3
121.10098	3.3
123.08039	7.2
128.06177	26.0
129.06969	44.7
131.08524	2.1
133.06458	3.1
133.10054	12.8
133.82156	1.9
135.11607	2.3
137.09587	2.4
143.08510	34.3
145.06464	7.5
147.04382	3.0
147.07997	100.0
147.11621	6.5
149.09575	6.6
153.06961	7.4
155.05945	1.9
161.05943	2.4
161.09550	14.7
161.13132	7.6
165.09044	11.9
171.07961	2.1
189.08981	14.6
189.12631	6.1
191.53333	2.0
207.06532	2.8
207.10086	15.9
207.13763	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	207.1012
Annotation	Benzyl 2-methyl-3-oxobutanoate
Peak:m/z	Relative Intensity
53.03923	2.2
55.01846	6.6
55.05485	7.9
57.03422	4.8
59.04962	2.3
61.02906	2.7
61.07566	1.3
61.59189	1.2
65.03900	1.2
67.05479	24.4
69.03394	11.0
69.07031	4.9
71.04960	2.4
73.02875	3.4
74.95994	1.1
78.09222	1.3
79.05455	21.3
80.07917	1.2
81.03382	5.4
81.07012	7.1
81.18330	1.2
83.04951	13.0
83.08602	1.4
85.02849	5.8
91.05442	95.1
93.07014	10.6
95.04932	10.0
95.08559	7.2
97.02875	1.5
97.06474	1.8
98.97535	3.4
99.04406	2.3
103.05429	3.0
105.03356	6.6
105.06286	3.0
105.06987	82.6
107.04903	5.6
107.08549	8.6
109.06488	2.6
109.10113	2.9
115.05400	7.4
115.55721	1.4
116.98560	1.4
117.06958	22.3
119.04861	2.5
119.08533	100.0
120.09332	2.8
121.06440	2.7
121.10068	2.9
123.04386	2.6
123.07980	7.7
125.05936	1.3
128.06183	25.3
129.06961	44.3
131.08514	1.6
133.06450	1.6
133.10081	13.2
135.11647	2.0
137.09564	2.1
141.05406	1.9
143.08524	28.3
145.06413	6.9
147.04314	1.9
147.08003	92.6
147.11661	2.8
149.09595	2.9
153.06902	2.6
161.09529	14.3
161.13216	1.7
165.08925	2.9
171.07968	2.6
179.10577	1.8
189.09024	13.0
189.12630	1.9
192.04236	1.5
207.10083	17.4
207.13715	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	205.1583
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.14772	1.5
55.05479	3.2
57.07053	2.5
59.77607	1.4
66.62726	1.8
67.05466	3.6
69.03389	1.6
69.07030	2.8
70.52163	1.7
71.04964	41.6
79.05449	6.4
81.07021	21.4
83.08602	1.9
83.56573	1.8
85.02872	1.8
90.94781	2.0
91.05436	13.1
93.07000	24.6
93.08259	1.8
95.04919	8.6
95.08562	25.9
97.06488	2.8
99.08031	2.2
105.06997	60.4
107.08565	21.2
109.06494	7.8
109.10107	4.2
111.08046	4.3
113.09563	16.3
117.06982	3.8
119.01874	18.5
119.08521	21.3
121.02798	2.3
121.10101	28.1
121.30801	1.9
131.08517	22.4
131.97339	2.7
135.11662	3.6
137.02885	7.8
142.03464	12.5
145.10074	42.7
147.11641	39.0
149.02278	30.5
152.52252	2.1
159.11646	8.2
160.04474	9.2
161.13210	7.7
163.14731	3.8
177.12665	4.0
187.14745	35.2
202.72282	2.1
205.06752	16.4
205.15811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27048	0.1
52.58047	0.1
56.96548	0.6
62.82295	0.1
64.06129	0.1
64.39216	0.1
67.09496	0.1
75.51807	0.1
78.85423	0.1
80.43491	0.1
82.99834	0.8
84.02771	0.1
84.10463	0.1
88.02184	0.1
89.86650	0.1
92.62044	0.1
98.97552	0.8
100.02439	0.7
101.00835	11.5
101.55254	0.1
103.00612	0.2
104.90775	0.5
116.98577	0.9
118.03491	0.7
119.01873	100.0
120.01973	1.5
120.97904	0.2
121.01607	4.5
121.02262	0.4
122.01963	0.8
123.02036	0.8
124.02388	2.8
133.03384	0.2
134.99638	1.1
136.61467	0.1
137.02907	55.2
138.03032	1.0
139.02608	2.5
140.03062	0.5
141.03075	0.6
142.03450	86.4
143.03603	0.7
144.03172	1.1
146.03632	0.2
146.91759	1.0
153.00615	0.2
156.05003	0.2
160.04492	52.0
161.04697	0.5
162.04276	0.7
163.98799	0.2
164.04655	0.5
164.92833	0.8
165.03038	0.1
165.03461	0.1
165.05045	3.1
174.06070	0.2
177.00891	0.9
178.01050	0.1
179.00618	1.2
181.03479	0.1
182.04218	0.1
182.94000	0.2
183.04193	0.3
183.06125	0.8
188.99139	0.5
200.49907	0.6
201.00003	0.2
201.49780	0.2
203.96928	0.1
225.60190	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	205.1581
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
55.05489	9.1
57.07066	8.4
67.05479	9.9
69.07050	38.4
72.82701	3.9
79.05463	8.7
81.07018	17.7
83.04945	4.4
83.08628	5.1
89.59004	4.0
91.05459	21.9
92.09296	8.7
93.07000	51.5
95.08569	39.2
105.06996	29.0
107.08560	100.0
109.06482	5.0
109.10133	7.8
109.90574	3.8
117.06984	20.6
119.01893	19.4
119.08546	84.8
119.38721	4.7
121.02769	8.8
121.10108	76.2
129.06931	4.5
130.07721	4.5
131.08548	20.8
131.97334	4.4
133.10089	58.6
135.11635	17.5
137.02917	9.1
137.05936	19.0
142.03481	21.9
143.08557	6.2
145.10092	64.5
147.11656	7.8
149.02269	70.2
154.38243	4.7
157.10083	9.6
158.10860	4.9
159.11630	26.3
160.04514	6.4
163.11150	37.4
172.12383	5.6
175.14749	49.0
177.16339	26.8
187.14804	32.8
205.06804	35.7
205.15826	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1582
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.79068	2.6
55.05480	20.6
56.96542	5.2
57.07053	12.8
59.04958	3.1
63.13097	2.7
67.05466	7.0
67.59683	2.7
69.03387	3.3
69.07040	41.7
71.68365	2.9
79.05456	21.1
81.07003	20.9
83.04953	6.0
83.08608	21.7
88.19269	3.2
91.05429	15.1
93.07011	44.8
93.85440	3.2
95.08572	48.5
97.02845	4.1
97.06461	4.8
105.06985	48.7
105.31347	3.4
107.07885	6.1
107.08553	100.0
109.06496	4.4
109.10098	6.9
113.96336	4.4
117.06938	15.5
119.01852	22.5
119.08537	54.6
121.02819	7.0
121.06425	5.9
121.10106	85.8
122.96439	3.2
123.11629	3.7
130.07716	4.2
131.08522	20.0
131.58040	3.1
131.97365	4.1
133.10091	43.8
135.08022	5.5
135.11646	20.4
137.02917	15.5
142.03444	18.1
143.08501	13.3
145.10085	66.6
147.11638	11.1
149.02298	64.8
149.13174	4.2
157.10039	6.1
157.15234	3.9
158.10901	5.7
159.11632	18.7
160.04524	7.1
161.13190	6.6
163.11130	43.3
163.14754	4.8
172.12361	3.6
175.14754	58.8
176.76740	3.0
177.16309	39.0
187.14757	35.9
205.06755	19.4
205.15814	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.6
53.03913	2.0
53.61216	1.2
53.66296	1.0
54.55939	1.0
54.75039	1.1
55.01830	1.1
55.05484	7.8
57.07041	5.4
57.68356	1.2
59.04974	1.2
59.43559	0.9
65.03915	1.2
67.05489	11.3
69.07041	23.1
71.04962	31.3
76.07141	1.0
79.05460	24.5
81.07024	100.0
83.04950	2.9
91.05436	4.8
93.06996	8.2
95.04929	4.2
95.08556	3.0
97.06511	8.0
98.97567	1.4
99.08051	2.5
105.06980	6.0
107.08551	15.3
109.06516	2.1
109.10129	23.5
111.08034	8.2
111.11691	9.3
114.34923	1.5
119.04977	1.4
121.02808	1.9
121.06483	1.9
123.08044	2.1
123.11664	23.1
133.10095	4.9
139.11131	7.8
145.10164	1.3
147.04349	5.1
149.02310	14.9
151.11150	15.1
152.21036	1.3
157.12177	6.7
159.07993	1.5
169.12157	12.4
177.05272	1.2
187.13232	9.2
205.06674	1.6
205.12184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.6
54.13119	1.0
55.05488	3.1
57.07056	1.6
65.03905	1.5
67.05477	6.7
67.88367	1.3
69.03399	1.8
69.07040	17.0
71.04964	25.3
74.63367	1.5
79.05470	13.5
81.07027	100.0
83.04952	6.6
91.05445	7.4
92.08603	1.2
93.07008	7.7
95.04902	2.8
95.08590	2.3
97.06514	7.3
97.20616	1.1
98.97534	2.0
99.08043	3.0
105.07006	5.1
107.08566	11.8
109.06463	2.6
109.10116	17.4
109.35767	1.4
111.11687	4.9
112.62463	1.2
119.04879	7.0
121.06491	5.0
121.10124	2.3
123.11667	16.2
133.10037	2.3
139.11157	8.8
145.06381	1.6
147.04364	10.3
149.02287	11.5
151.11153	14.2
157.12173	2.6
169.12167	9.2
176.04727	1.2
187.13214	4.9
205.06631	2.1
205.12143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25869	0.8
50.59122	0.9
55.01847	4.0
55.05509	7.9
57.03407	2.0
57.06824	1.1
57.07060	18.5
57.31383	1.0
59.04971	2.4
65.03902	1.9
67.05486	20.0
67.40312	0.9
69.03393	8.7
69.07053	9.1
79.05447	3.8
81.07025	20.5
83.04939	10.5
85.02859	1.4
85.06516	100.0
91.05450	1.7
92.09360	1.2
93.06979	5.5
93.17986	0.9
95.04935	1.5
95.08562	1.6
101.05951	2.1
105.06987	2.1
109.06499	9.3
109.10117	4.4
111.08078	10.8
113.05989	2.2
121.02827	4.8
121.10075	1.5
123.11666	1.7
125.09579	7.8
139.11134	6.8
143.18594	0.9
146.05946	2.0
149.02280	27.7
151.11166	4.6
157.12206	9.5
162.16344	1.0
165.67499	1.0
169.12161	8.4
177.05417	1.8
178.04755	1.1
181.02863	2.4
181.64456	1.0
187.13240	1.1
192.98070	1.0
205.06714	2.2
205.12224	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	205.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
53.73178	0.3
55.05492	18.6
56.53332	0.3
57.03405	0.4
57.07058	2.9
59.04976	1.1
65.03905	0.3
67.05476	46.7
68.15741	0.3
69.03426	0.3
69.07034	3.4
69.25594	0.3
71.04951	1.2
71.05357	0.2
73.06509	0.3
74.61143	0.3
79.05451	4.3
81.07020	100.0
82.07349	0.4
83.04951	0.3
83.08574	2.4
85.06507	3.1
87.13794	0.3
88.87879	0.3
93.07023	0.4
95.04949	0.4
95.08577	2.5
97.10114	2.9
98.53297	0.3
99.08073	0.5
99.25183	0.3
105.06984	0.5
108.18635	0.3
109.06485	3.2
109.10135	0.4
123.11652	39.7
127.07491	1.7
137.05945	0.7
141.09105	0.6
141.12680	11.7
141.13759	0.5
149.02307	2.1
155.06914	0.4
159.13705	2.2
205.06822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.54418	0.9
55.05287	1.0
55.05499	19.3
55.67622	1.0
57.07044	2.1
64.55192	1.2
67.05486	24.8
69.07042	15.8
79.05456	11.9
81.07023	38.0
83.08595	12.7
91.05452	17.4
93.07006	19.0
95.08575	71.6
97.10105	2.2
105.07000	58.4
107.07891	2.4
107.08569	46.2
107.09310	1.9
109.06484	1.9
109.09413	2.4
109.10130	53.1
117.06990	2.7
119.08543	100.0
121.10107	32.1
123.11674	12.5
131.08553	2.0
133.10094	69.9
135.11653	11.1
145.10094	6.3
146.10881	2.0
147.11649	66.2
159.11635	6.2
160.12424	1.7
161.13208	21.5
173.13188	1.5
174.13829	1.5
175.14754	9.5
203.17903	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	203.1792
Annotation	Iso-alpha-curcumene
Peak:m/z	Relative Intensity
55.05496	10.8
67.05486	16.9
69.07049	19.4
69.77289	1.6
77.13180	1.4
78.10297	1.5
79.05453	9.7
79.32388	1.3
80.07387	1.5
81.07028	36.0
83.08595	3.2
85.13661	1.2
91.05449	18.1
92.08662	1.6
93.07021	18.3
95.08574	31.3
105.07000	100.0
107.08569	16.6
109.10116	21.5
117.06971	5.9
119.08543	91.3
119.09404	2.1
121.10109	8.6
123.11649	5.5
131.08545	6.1
133.10088	32.9
135.11588	2.4
145.10052	9.2
147.11642	51.2
160.12398	7.2
161.13188	12.8
175.14708	2.6
203.17915	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	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05484	12.5
57.07057	35.8
57.11204	2.5
67.05465	14.9
68.55791	2.5
69.07035	14.7
81.07003	4.6
83.08570	4.3
83.50524	2.7
85.70037	2.7
91.05450	17.3
93.06985	4.5
95.08556	35.4
105.06999	65.4
107.08549	13.9
109.10132	29.0
119.08535	84.7
121.10090	12.3
133.09096	4.4
133.10088	76.9
138.36189	2.8
145.10066	17.3
147.10486	4.1
147.11641	100.0
155.71457	3.5
159.11699	3.7
160.12305	2.9
161.13191	50.7
175.14793	3.5
203.17888	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.96550	4.1
57.03410	0.6
57.07047	1.8
60.04485	0.4
69.03383	0.8
71.04958	0.5
73.02890	0.8
81.06997	0.6
84.95998	1.9
85.02871	1.3
89.03883	1.4
91.05456	3.0
95.08573	0.4
97.02824	1.2
98.97552	7.9
110.97531	1.9
116.04938	2.9
116.98608	2.7
119.04910	5.3
120.97919	0.6
121.01640	0.5
123.28947	0.4
128.98555	2.4
134.99641	0.3
143.00075	0.4
146.99634	2.5
147.04376	12.7
148.04735	1.9
158.99631	0.6
161.01099	0.7
162.05452	100.0
170.99609	0.6
177.00633	0.8
182.99644	0.4
186.18517	0.5
189.00650	1.7
189.03780	0.4
190.04942	7.5
204.06506	18.7
204.08426	0.8
221.01219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36531	0.9
65.81646	0.9
70.53739	1.0
72.93761	8.3
80.94803	1.3
88.64443	1.2
90.94801	1.5
91.56345	1.0
92.42735	1.2
95.61631	1.2
113.96352	10.0
122.96436	2.0
131.97383	12.8
149.02303	4.6
163.90730	1.3
197.49585	1.3
205.06784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76839	1.5
65.93121	1.6
69.00247	1.4
89.60999	1.8
164.17772	1.6
166.85524	2.0
190.55000	1.8
205.06783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05488	8.7
58.02126	3.5
67.05476	42.0
68.87281	3.5
69.07030	7.8
79.05444	20.7
81.07008	41.9
83.08558	4.1
91.05425	24.9
93.07005	39.5
95.08557	86.5
105.06998	62.3
107.08559	69.1
109.10124	57.9
119.08553	73.1
120.96515	3.7
121.10091	27.6
121.96613	6.7
123.11688	4.2
133.10066	57.3
145.10120	4.8
147.11646	69.6
159.11716	4.0
161.13222	22.3
175.14751	8.3
203.17902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.63639	1.3
55.05491	19.3
55.59717	1.3
57.07031	3.2
67.05474	27.4
68.84720	1.5
69.07035	21.2
74.40910	1.5
79.05450	17.9
81.07029	42.0
83.08588	15.4
91.05452	22.0
93.07001	25.1
94.07346	2.9
95.08567	81.2
97.97488	1.7
100.04805	1.8
105.06295	2.4
105.07001	63.2
107.07883	3.2
107.08556	52.9
109.10119	52.3
117.07008	2.1
118.07745	1.9
119.01892	1.8
119.08533	91.6
121.10101	32.1
123.11650	10.8
131.08542	3.2
133.10083	74.1
133.25943	1.6
135.11642	9.0
143.08438	2.5
145.10068	8.4
147.11639	74.9
159.11639	6.4
160.12389	7.2
161.13200	26.9
171.07982	2.6
175.14796	11.1
203.10600	1.9
203.17897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.06531	1.2
53.03922	2.0
55.05487	22.8
57.07056	2.8
60.13570	1.3
61.74540	1.4
67.05486	37.1
69.07043	23.4
78.10386	1.5
79.05450	18.4
81.07023	51.5
82.24461	1.4
83.08585	18.9
91.05435	25.8
93.07001	30.6
95.04943	3.0
95.08566	86.6
101.02114	1.5
103.05382	2.0
105.06281	3.3
105.06988	84.3
107.08559	70.4
109.06492	6.0
109.10117	67.8
112.68475	1.5
117.06915	3.1
119.08534	100.0
121.10101	28.7
123.11669	18.8
123.32579	1.7
131.08487	2.6
133.09077	2.8
133.10083	79.6
135.11612	8.4
145.10077	9.2
146.10860	2.0
147.11642	67.1
159.11633	7.8
160.12383	2.5
161.13177	31.0
175.14757	11.4
200.49753	1.6
203.17879	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03917	1.3
55.05495	18.5
57.07052	2.3
67.05479	31.8
68.79647	1.2
69.07042	24.6
73.40885	1.2
79.05468	18.2
81.06542	2.6
81.07024	49.5
83.08585	17.6
91.05437	24.6
93.07008	24.1
95.08569	81.1
97.02837	1.6
97.10146	1.5
105.06996	71.9
107.08559	55.8
107.09154	1.2
107.09293	1.4
109.06447	1.9
109.09411	2.3
109.10125	46.6
117.07015	5.0
119.08537	100.0
121.10107	28.7
123.11655	13.6
128.22229	1.2
131.08525	5.3
133.09073	2.7
133.10085	78.0
135.11658	9.2
145.10088	7.2
147.10464	2.5
147.11641	70.4
159.11577	5.8
160.12418	1.6
161.13202	31.9
162.16655	1.5
173.13182	1.8
175.14717	11.3
203.17879	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.49861	2.4
53.58800	2.4
54.24825	2.5
54.51060	2.5
54.80992	2.2
55.05486	17.5
67.05476	24.6
69.07036	23.6
79.05434	11.8
81.07026	43.5
83.08601	2.8
91.05441	22.1
93.07020	22.7
93.69228	3.0
95.08561	65.5
97.10123	3.8
102.96813	5.4
105.06994	72.9
107.08546	35.1
109.10129	41.4
117.82657	3.1
118.33487	3.0
119.08544	62.7
120.02085	3.8
120.96425	4.7
120.97811	3.2
121.10094	19.3
131.08542	3.7
133.10088	61.3
135.11623	6.0
138.98851	4.0
145.10066	3.9
147.11633	62.4
159.11664	5.3
161.13213	23.8
175.14719	6.2
185.13252	3.1
185.70763	2.8
198.96062	2.8
203.17882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01856	30.3
55.05495	35.8
56.96531	4.1
57.03398	4.0
59.04951	4.7
60.21900	2.2
60.84007	2.4
61.02866	2.5
62.49184	2.3
65.03897	3.0
67.05484	23.1
69.03391	11.7
69.07045	38.5
71.04961	32.9
71.18050	2.5
79.05463	50.5
81.03403	3.6
81.07023	37.8
83.04953	33.8
83.08568	2.4
85.02850	11.7
85.06510	11.6
87.04439	26.8
91.05460	17.8
93.07011	46.5
95.04924	15.2
95.08565	19.2
97.02866	4.2
97.06487	69.1
98.97569	3.3
99.04411	3.8
102.96878	3.0
105.06990	15.5
107.04936	4.0
107.08563	59.2
109.06485	14.6
109.10095	5.3
111.04386	17.7
113.05964	70.3
115.60597	2.3
116.98563	3.1
119.01881	3.1
119.08458	4.7
120.01989	4.5
120.96494	3.7
121.06473	15.3
121.10101	48.4
123.08042	10.9
125.05950	32.7
125.09598	50.7
128.06204	3.8
131.08527	13.5
137.09544	13.0
138.03070	2.6
139.07469	2.6
139.11136	34.4
143.06998	11.4
149.09567	28.0
162.05458	100.0
167.06949	3.9
167.10632	35.6
185.11723	14.5
190.04947	5.1
203.03455	4.0
203.10657	3.4
204.06583	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	203.1274
Annotation	2-Ethyloctanedioic acid
Peak:m/z	Relative Intensity
51.24816	0.9
55.01847	4.7
55.05497	24.1
56.70116	1.2
57.03411	7.1
63.43578	0.9
65.03902	1.5
66.60351	1.0
67.05485	34.9
69.03407	27.7
69.07040	42.9
71.04961	38.6
79.05458	71.4
81.07016	29.4
82.68994	1.2
83.04950	15.6
83.08585	1.7
87.04437	31.3
91.05434	7.4
93.07006	100.0
95.04964	2.0
95.08569	78.5
97.06496	19.3
97.10117	1.5
101.05983	6.1
105.06987	4.7
107.08543	2.9
109.10143	2.2
111.04400	1.5
111.08049	4.9
111.11684	1.7
113.09643	1.2
113.48525	1.2
115.03892	12.4
119.08577	1.2
121.10099	72.5
122.44077	1.1
123.04414	1.4
125.05937	2.4
127.78267	1.1
134.11000	1.2
135.45421	1.1
139.03896	1.0
139.10136	1.8
139.11143	43.2
147.75108	1.0
149.09563	2.5
157.12198	28.0
185.11624	4.8
203.12762	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11548	0.5
56.05015	0.5
60.46027	0.4
65.08441	0.4
70.06573	0.7
72.61600	0.5
74.70522	0.5
98.97527	0.7
100.02457	1.1
101.00836	4.8
102.00951	2.4
102.05531	2.1
114.05502	1.0
116.87058	0.5
118.03451	0.8
119.01881	26.6
120.01958	15.1
120.95307	0.7
137.02902	11.5
137.03874	0.6
138.03024	7.3
138.96347	7.9
142.03432	2.2
143.03558	3.6
147.96924	3.2
156.97424	100.0
157.47508	3.4
159.47731	1.1
160.04559	0.8
161.02892	1.1
161.04625	1.0
161.97960	2.8
162.03049	0.8
165.97940	9.1
166.47984	2.9
168.48218	7.3
168.98308	3.2
174.98477	99.8
175.98529	0.6
179.03955	5.9
179.67084	0.5
179.99005	68.1
180.04062	5.5
198.00079	75.6
203.00763	0.5
203.10220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01856	9.7
55.05486	1.5
55.42266	0.6
56.96546	24.1
57.03418	37.3
57.07058	0.8
58.06571	0.9
59.04976	15.3
60.04496	1.1
61.00856	0.8
61.02904	1.8
62.06059	5.8
69.03397	7.2
69.36304	0.8
70.06557	3.5
70.37482	0.8
71.04952	3.7
71.95232	1.0
72.04482	3.9
72.08119	5.9
73.02867	3.1
75.04440	3.2
81.03381	1.3
83.01294	0.9
83.04971	1.0
84.04464	1.0
84.08121	2.7
84.95976	1.0
85.02882	11.6
85.06503	1.4
86.56390	0.7
87.04436	4.3
89.02370	0.8
95.01283	1.4
97.02853	13.0
98.97551	14.2
99.04427	2.9
100.07585	14.8
101.00831	14.2
102.00916	8.1
102.09149	16.9
102.96840	4.3
103.09454	1.4
110.97531	0.8
112.99059	1.7
113.02361	0.8
114.09116	6.0
115.02415	1.5
116.98590	9.8
117.03965	1.5
119.01876	100.0
119.98183	1.1
120.01947	59.6
120.96496	1.1
120.97862	4.0
127.03886	4.4
130.08647	0.9
131.00125	1.7
131.01871	4.9
131.94051	0.8
133.01624	1.1
133.03415	3.2
133.47574	0.7
134.99609	3.6
135.04961	3.2
137.02916	57.4
137.99208	0.9
138.02997	32.0
138.98894	3.6
142.03448	10.7
143.00146	1.8
143.01907	2.6
143.03568	15.6
144.07715	0.7
145.01669	0.9
145.03447	3.2
146.99586	2.9
147.04996	1.4
149.02928	1.1
156.97446	1.7
157.03397	6.6
158.99594	4.1
160.04510	6.2
161.01266	1.6
161.02902	18.1
161.04636	12.7
162.03018	5.6
163.04393	1.1
170.99524	1.0
171.02821	8.3
173.02901	1.2
174.98424	1.2
175.02811	1.8
175.04456	6.6
177.00626	5.9
177.05981	0.8
179.02368	1.0
179.03937	21.4
179.05515	1.3
179.99097	1.0
180.02536	0.9
180.04053	23.3
185.02956	3.3
185.16426	1.0
191.03929	1.0
192.04695	1.0
198.00060	1.2
202.17712	8.8
203.03947	10.4
203.05553	3.8
203.14764	0.9
203.17946	3.5
221.05138	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2162
Annotation	DDAO
Peak:m/z	Relative Intensity
50.97960	0.9
51.84142	0.9
55.05495	22.9
57.07056	15.4
58.06576	9.1
59.04963	1.3
60.28453	0.8
61.17858	1.0
61.86967	0.8
62.06055	6.6
64.75701	0.8
66.39759	0.8
69.07037	26.8
71.08582	6.0
75.66450	1.0
75.80099	0.9
83.08582	8.9
85.10133	2.4
88.19788	1.1
92.09402	1.8
97.10124	5.6
110.22188	0.9
111.11648	4.4
119.01911	1.4
120.97943	1.3
184.20546	100.0
202.19696	1.7
202.21600	49.4
202.25757	1.1
204.29529	1.1
224.96046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1632
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.22461	2.0
55.05490	2.9
56.96539	14.2
57.07045	12.6
59.93077	3.0
67.05482	2.8
69.07061	3.1
74.74479	2.2
77.02998	2.4
77.34714	2.3
77.94107	3.2
79.05476	2.8
80.98060	2.5
81.06999	4.4
82.73674	2.1
82.90362	2.3
91.05450	15.0
93.07005	8.5
95.08572	5.0
95.95145	2.4
98.97554	12.4
105.07005	10.6
107.08570	10.9
111.03832	2.4
114.05476	2.4
114.34115	2.3
116.06239	3.2
116.98572	16.0
117.07000	4.1
117.98965	5.1
118.96735	42.0
118.98107	2.5
119.08560	10.6
129.06932	5.6
130.07742	3.9
131.08522	93.1
133.10092	16.9
133.98997	4.3
134.99654	18.7
135.99948	5.4
136.99187	2.7
143.08499	4.9
144.09270	4.0
145.10072	48.4
154.96437	13.6
157.10065	16.7
158.10875	5.3
159.11653	54.2
172.12383	5.6
173.13217	27.3
177.97974	14.5
186.13972	5.4
201.12781	2.5
201.16327	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1635
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.59282	0.9
55.05481	6.3
56.96541	1.7
57.07041	6.4
65.03886	1.2
67.05482	11.5
69.07051	9.8
72.23586	1.1
79.05463	12.7
81.07026	30.6
83.08595	4.7
91.05444	21.3
92.09402	1.4
93.07009	30.8
95.04919	1.9
95.08573	26.7
98.97538	6.7
99.97883	1.1
105.06997	49.5
107.08567	29.5
109.10118	7.7
115.05414	2.4
116.06178	1.5
116.97262	1.1
116.98576	2.8
117.06989	22.3
118.96741	4.8
119.07729	2.3
119.08533	32.8
121.10117	11.3
123.11652	5.4
129.06956	4.4
130.07741	11.0
131.08524	48.0
133.10081	15.6
134.99609	1.7
142.07677	1.4
143.08499	6.0
144.09290	7.5
145.10083	100.0
146.10851	2.9
147.11632	1.8
157.10071	8.6
158.10899	2.1
159.11636	56.6
159.12961	2.0
171.11627	2.1
172.12411	1.9
173.13174	16.7
177.98108	1.6
186.13979	1.5
200.90402	1.2
201.16324	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	201.1634
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.84834	1.2
55.05479	2.5
56.96540	2.0
57.07038	2.5
59.93073	1.5
61.85441	1.6
67.05479	2.2
69.07030	2.9
79.05462	2.8
81.07011	7.4
84.58288	1.3
86.67584	1.7
91.05456	11.4
92.09361	5.2
93.06992	7.3
95.08572	6.3
98.97546	9.7
99.97874	2.1
105.07008	12.1
107.08535	8.1
110.41252	1.7
114.05478	1.9
116.98572	3.5
117.06975	7.0
117.98929	2.1
118.96726	22.7
119.08512	10.1
121.10076	2.8
127.57053	1.9
128.06181	2.6
129.06956	2.6
130.07751	3.1
131.08524	86.6
133.10101	11.8
134.99568	6.8
135.99910	2.1
143.08546	3.3
144.09262	3.5
145.10080	44.4
145.22751	1.5
154.96422	6.3
157.10078	14.4
158.10867	2.6
159.11636	50.9
171.11584	2.4
172.12398	10.9
173.13200	22.9
177.97992	7.6
186.14055	11.6
186.15419	1.6
196.66585	1.8
201.16313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1633
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
53.03929	2.3
55.05503	19.5
56.73125	2.0
57.03396	2.5
57.07051	4.9
66.29758	2.0
67.05480	27.0
69.07054	18.2
71.04946	9.6
71.92207	1.9
79.05450	21.0
81.07027	45.4
83.08582	10.1
83.50648	2.0
85.06509	14.2
91.05434	32.3
91.94772	2.2
92.05773	2.5
93.07011	51.2
95.08584	39.7
98.97531	5.4
105.06993	54.9
107.08559	44.9
109.06458	2.4
109.10132	24.6
110.03719	2.5
116.98595	5.3
117.06976	44.5
118.96669	10.4
119.08543	47.2
121.10088	24.6
123.11656	17.7
127.89051	2.2
129.06946	5.1
130.07774	16.8
131.08516	69.4
131.29318	2.0
133.10081	14.2
134.99605	4.9
137.09538	9.3
143.08519	12.7
144.09288	5.4
145.10078	100.0
147.11581	3.2
157.10065	4.9
158.10870	11.6
159.10391	3.6
159.11642	63.6
165.08995	2.4
173.13223	20.2
177.97900	3.2
178.90364	2.3
186.21300	2.5
191.19975	2.4
201.09021	3.3
201.16316	79.7
202.04950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05291	0.1
55.05497	1.8
57.07056	1.1
63.90125	0.2
64.32169	0.2
65.03913	0.9
67.05469	0.2
69.06712	0.2
69.07028	1.3
71.08605	0.2
79.05457	0.4
83.08582	1.0
86.06019	0.2
91.05445	100.0
92.05775	0.2
93.06940	0.2
97.10129	0.8
100.07567	0.3
106.06544	1.7
107.08562	0.4
109.73019	0.2
116.98563	0.2
117.37566	0.2
118.59181	0.2
121.10038	0.2
165.06866	0.3
166.07729	0.9
167.07135	0.2
181.10060	2.3
194.88635	0.2
198.12714	4.4
198.18465	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.82437	0.8
53.03930	0.9
53.55722	0.6
54.13532	0.7
55.05486	1.2
67.05479	2.0
70.95834	18.8
72.93758	8.7
79.05473	3.5
81.07025	3.7
83.04974	0.8
88.96872	1.4
89.18456	0.7
90.28006	0.7
90.94788	1.3
91.05439	14.7
93.06997	9.5
95.04943	1.4
95.08563	1.7
105.03372	4.7
105.06995	24.1
107.08563	100.0
109.06465	6.5
109.10122	5.3
111.98452	8.9
112.27287	0.9
113.96383	1.2
118.02825	0.9
119.04916	3.5
119.06000	1.3
119.08550	4.3
121.06452	3.5
123.11680	1.0
129.99469	5.5
131.08548	1.7
132.95796	24.7
133.10086	69.5
135.11650	10.9
137.05923	6.7
137.09581	3.6
146.07245	1.8
150.96846	46.0
151.11165	3.4
155.97371	9.6
156.69113	0.8
161.09563	13.7
168.97958	1.2
173.98433	20.4
179.10626	15.3
197.11661	40.9
199.99986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26155	0.6
54.04302	0.6
55.01850	12.4
55.05495	6.1
56.37341	0.6
57.78094	0.6
67.05492	1.2
68.97035	0.7
69.03425	0.9
69.94111	0.7
70.33212	0.6
70.95840	8.1
72.93752	5.0
79.05461	6.1
81.07024	36.8
82.60243	0.9
88.96891	1.3
91.05454	1.3
96.58904	0.7
97.06510	1.3
99.04424	1.8
105.03387	1.3
105.06990	4.7
107.08592	1.7
109.06482	15.6
109.10138	1.5
111.04417	3.0
111.98450	8.5
121.06455	1.2
123.11778	0.8
125.05949	22.3
127.03841	6.4
129.99492	4.2
132.95811	12.2
133.10110	5.0
137.05931	100.0
143.08505	1.7
150.96834	27.9
151.11118	1.6
155.97411	5.8
161.09543	5.4
168.97876	0.9
173.98471	11.9
179.10591	7.0
197.11644	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.05481	2.7
55.68898	1.1
59.04968	5.5
59.82775	1.2
67.05467	6.9
67.26815	1.2
69.03401	1.7
69.07030	2.0
70.95851	1.5
72.57385	1.2
75.19172	1.3
79.05444	7.5
80.08779	1.3
81.07035	9.6
91.05438	30.0
92.08673	1.1
93.06510	1.7
93.07011	32.5
95.04930	11.6
95.08560	2.4
101.25620	1.4
105.06298	2.0
105.07000	48.6
105.70896	1.3
107.08560	94.3
109.06488	10.0
109.10154	9.1
114.80363	1.2
117.20433	1.3
119.04849	2.2
119.06046	1.6
119.08525	11.6
121.06441	5.4
121.10086	2.0
123.04372	2.9
123.11663	5.7
131.08484	5.2
132.95772	5.9
133.10077	100.0
135.07991	2.4
135.11642	54.6
137.05905	2.3
137.09564	2.5
143.08522	1.7
143.68930	1.4
146.07170	1.8
150.96844	8.4
151.07658	1.5
151.11095	5.9
161.09557	40.9
173.98460	2.7
179.10596	98.9
197.11665	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	197.1168
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.31975	1.0
52.65513	1.3
53.94785	1.0
55.05490	4.8
57.61108	1.2
59.04992	1.4
67.05473	6.8
69.07018	1.2
70.06596	1.1
70.95834	35.3
71.04968	1.9
72.93761	17.6
79.05450	6.7
80.59925	1.3
81.07029	10.1
85.06522	2.3
88.96836	6.2
90.94793	3.0
91.05451	17.8
92.08727	2.5
93.07007	24.3
95.04934	7.6
95.08562	9.5
97.96292	1.2
105.03386	2.1
105.06997	36.2
107.08558	56.7
109.06489	5.1
109.10115	7.8
111.98422	24.4
113.96397	1.3
117.06969	1.9
118.02354	1.3
119.08544	12.4
121.06459	7.3
121.10138	2.7
123.04391	2.0
123.11697	2.8
129.99490	15.7
131.62746	1.3
132.95781	50.2
133.10077	74.9
135.11639	35.0
135.12584	2.3
137.05933	7.3
137.09598	2.5
150.96837	100.0
151.11194	6.4
155.97382	18.0
161.09543	20.2
161.13232	4.3
168.97859	7.8
173.98421	42.5
179.09055	2.4
179.10605	58.4
179.14220	7.5
197.00061	1.6
197.11670	42.0
197.15314	3.0
213.78310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94230	0.9
55.01837	3.2
55.05493	26.1
57.07050	6.4
67.05482	11.7
69.03406	5.7
69.07042	45.4
71.04961	5.9
71.08592	1.1
76.99820	1.1
79.05455	13.8
81.07025	46.1
81.22569	1.0
83.04945	1.1
83.08584	19.0
83.29846	1.1
85.06513	4.0
91.05446	5.2
92.09313	1.3
93.07003	29.6
95.08569	73.9
97.10128	9.0
99.08050	22.4
105.07021	6.1
107.08558	61.6
109.10111	18.6
111.08052	8.8
111.49218	1.0
113.09611	6.1
117.03412	1.3
119.08521	1.5
121.10096	86.0
123.07987	1.3
123.11655	1.4
125.09596	15.6
135.11642	17.1
135.12555	1.1
137.13188	18.8
138.95973	1.0
149.13239	6.1
177.16325	100.0
184.71548	1.0
195.17331	13.7
200.61028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1739
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03931	1.3
55.01849	2.2
55.05496	30.6
57.07059	2.7
64.69128	1.1
65.55880	1.2
67.05488	9.3
69.03394	5.4
69.07039	48.7
70.93173	1.2
71.04957	8.0
74.12314	1.2
75.12963	1.3
79.05454	14.6
81.07019	51.9
83.08591	23.6
85.06525	2.7
91.05437	2.5
93.07007	36.8
95.08567	83.4
96.91937	1.1
97.10150	7.8
99.08057	25.6
105.06990	5.3
107.08553	67.6
109.10117	16.6
111.08047	9.1
111.11615	1.3
113.09611	6.0
119.08541	2.0
121.10091	95.3
125.09599	17.1
135.11620	17.6
137.13196	21.7
139.11108	4.8
148.76775	1.2
149.13226	6.1
158.95352	1.2
177.16313	100.0
195.17389	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	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.00288	2.1
53.03923	8.1
54.14548	1.1
55.01861	5.1
55.05242	1.9
55.05496	46.3
56.96542	6.8
57.03416	12.6
57.07048	6.6
59.45250	1.1
63.71056	1.1
65.03912	1.8
67.05482	33.4
68.96313	1.3
69.03395	8.0
69.06678	2.6
69.07041	56.8
71.04961	18.4
71.95246	4.2
78.50153	1.1
79.05462	90.9
79.67216	1.1
81.03363	1.4
81.07024	65.7
83.04929	2.7
83.08587	10.1
89.03818	1.4
91.04901	2.9
91.05444	69.0
92.09409	2.6
93.07008	100.0
95.04928	26.0
95.08572	38.3
97.06487	2.0
103.05409	1.5
105.04459	6.9
105.06998	33.1
107.04915	12.2
107.08556	57.8
109.06470	19.8
109.10091	2.0
115.05400	6.4
116.01347	1.5
117.03324	6.4
117.06241	1.9
117.06973	26.3
119.08536	24.6
121.06472	20.5
121.10101	14.3
122.07268	1.5
123.08015	9.1
129.06934	11.7
130.07751	7.3
131.08519	35.5
133.02803	10.5
133.06458	2.8
133.10091	3.1
135.04361	11.2
135.07965	9.2
135.11598	9.3
137.09575	3.0
144.09322	9.3
145.02832	3.0
148.08836	1.4
148.97368	2.7
149.05968	1.8
149.13199	10.2
157.10078	2.1
159.11635	17.5
163.03836	76.3
177.05408	5.5
177.12689	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	195.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82729	1.2
54.32332	1.4
55.01859	3.8
55.05496	24.6
56.81732	1.6
57.07054	9.4
58.89311	1.5
59.02185	1.3
60.63176	1.4
66.17588	1.5
67.05480	11.1
69.03406	10.6
69.07040	52.7
70.22475	1.2
71.04951	7.4
71.08619	1.9
79.05461	20.2
81.07028	46.7
83.08586	16.7
85.06516	2.7
89.03897	20.4
91.05450	10.6
93.07014	38.4
95.04900	3.6
95.08565	68.3
97.10136	7.5
98.97567	6.7
99.08051	27.1
103.05441	2.5
105.07017	7.5
106.04137	2.2
107.04910	18.9
107.08559	73.1
109.06498	6.4
109.10079	16.5
111.08051	11.5
111.11694	2.7
113.09599	3.2
116.98588	1.7
117.03340	32.2
121.06503	3.1
121.10096	84.7
123.11665	2.9
125.09567	27.5
130.96239	1.6
134.03552	3.4
135.04382	8.3
135.08005	3.6
135.11665	19.2
137.13222	22.0
139.11098	2.7
145.02811	40.1
148.97314	2.5
149.05983	15.2
149.13231	6.6
153.05595	1.6
163.03842	12.8
167.07019	3.0
177.05399	41.1
177.16327	100.0
195.17336	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	195.0648
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05492	1.0
56.96538	1.5
67.05481	0.7
68.96299	1.5
73.66382	0.7
78.04669	1.4
79.05449	1.4
81.07014	1.6
89.03882	39.4
91.05443	5.2
92.08801	1.0
93.03369	0.8
93.06983	1.5
95.04935	1.6
95.68542	0.7
98.97527	4.0
103.05424	1.7
105.04458	1.0
106.04133	3.2
107.04904	3.6
107.08562	1.0
111.04364	1.4
114.35303	0.8
114.86734	0.9
116.98569	1.3
117.03333	81.7
119.04897	0.8
121.06445	4.0
125.05952	1.1
130.96210	1.7
134.03564	13.6
134.99634	0.8
135.04373	10.8
145.02800	100.0
148.97281	6.5
149.05923	35.5
153.05396	1.5
162.03069	3.6
163.03841	12.1
171.98930	2.6
177.05392	89.7
195.06456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0647
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02357	0.6
51.06029	0.6
53.03908	0.6
55.35147	0.6
64.33112	0.6
69.03274	0.7
76.29397	0.6
78.04662	1.2
79.05473	0.7
79.53559	0.6
89.03883	36.3
91.05428	1.5
95.04907	0.7
96.43829	0.7
103.05424	1.3
106.04127	1.7
117.03337	70.7
117.07678	0.8
119.04871	1.1
124.05126	1.0
134.03572	12.8
135.04402	7.4
145.02798	100.0
149.04770	1.4
149.05927	31.3
162.03098	3.1
163.03862	8.6
177.05399	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0808
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
50.89234	1.1
53.03913	1.2
55.01847	5.7
55.05498	2.5
56.96539	8.8
57.03412	2.1
62.51935	1.4
69.03397	5.9
69.07034	3.2
70.03722	1.7
79.70036	1.3
81.07014	3.0
83.01319	2.0
83.04947	7.8
83.08601	1.6
84.05304	2.8
85.02863	2.7
86.33212	1.3
87.46601	1.4
92.09353	1.3
93.05743	1.7
93.06991	1.5
95.04918	5.7
96.05323	1.4
97.02852	2.9
98.97549	17.7
103.05422	5.3
106.06519	29.2
107.04922	6.0
111.04402	2.4
112.04762	2.0
116.98577	15.1
120.04401	1.8
120.08060	6.3
130.06485	100.0
132.04410	52.9
132.08055	8.5
134.05963	3.3
134.99631	7.7
146.05951	11.8
148.07516	44.3
148.97256	1.8
149.06017	1.9
158.05949	20.1
158.99603	1.8
159.04968	2.2
163.50224	1.6
165.69025	1.4
171.05933	2.4
176.06989	39.8
177.00603	6.8
188.92337	1.5
194.08107	1.7
194.11693	3.4
194.15344	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	193.1583
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01846	1.9
55.05495	19.5
57.07046	6.7
58.64367	1.0
59.04974	1.8
61.22179	0.9
65.03921	1.1
67.05476	25.6
69.03397	11.6
69.07047	18.5
70.21420	1.0
71.04949	8.0
72.08125	1.0
79.05462	15.0
81.03358	1.1
81.07024	35.0
83.04956	15.7
83.08562	5.2
85.06500	4.7
91.05438	22.1
93.03367	2.1
93.07001	31.3
95.04913	10.3
95.08563	57.8
97.06500	2.3
97.10125	1.5
99.08013	1.8
103.05423	7.6
105.06989	59.9
107.08553	66.8
109.06477	13.3
109.10114	54.0
111.04403	8.3
111.08063	5.0
113.09602	1.7
113.36957	1.1
113.99265	1.1
115.05408	6.8
117.06986	4.5
117.43730	1.4
118.04140	1.8
119.08533	76.9
120.09306	1.1
121.10087	23.5
123.08022	26.8
123.11632	8.9
125.09618	1.3
129.05440	2.5
131.04861	1.7
131.08470	2.1
133.06458	22.5
133.10075	100.0
134.10387	1.3
135.11638	97.5
137.09566	23.1
138.10318	2.7
139.76259	1.3
142.37827	1.2
143.06013	1.6
145.10066	1.3
147.11644	7.6
149.13229	11.9
151.11174	1.6
151.14796	4.4
160.12410	2.3
161.05936	18.2
165.16277	1.5
175.14754	50.7
193.08568	9.1
193.14349	1.8
193.15851	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01846	1.9
55.05495	19.5
57.07046	6.7
58.64367	1.0
59.04974	1.8
61.22179	0.9
65.03921	1.1
67.05476	25.6
69.03397	11.6
69.07047	18.5
70.21420	1.0
71.04949	8.0
72.08125	1.0
79.05462	15.0
81.03358	1.1
81.07024	35.0
83.04956	15.7
83.08562	5.2
85.06500	4.7
91.05438	22.1
93.03367	2.1
93.07001	31.3
95.04913	10.3
95.08563	57.8
97.06500	2.3
97.10125	1.5
99.08013	1.8
103.05423	7.6
105.06989	59.9
107.08553	66.8
109.06477	13.3
109.10114	54.0
111.04403	8.3
111.08063	5.0
113.09602	1.7
113.36957	1.1
113.99265	1.1
115.05408	6.8
117.06986	4.5
117.43730	1.4
118.04140	1.8
119.08533	76.9
120.09306	1.1
121.10087	23.5
123.08022	26.8
123.11632	8.9
125.09618	1.3
129.05440	2.5
131.04861	1.7
131.08470	2.1
133.06458	22.5
133.10075	100.0
134.10387	1.3
135.11638	97.5
137.09566	23.1
138.10318	2.7
139.76259	1.3
142.37827	1.2
143.06013	1.6
145.10066	1.3
147.11644	7.6
149.13229	11.9
151.11174	1.6
151.14796	4.4
160.12410	2.3
161.05936	18.2
165.16277	1.5
175.14754	50.7
193.08568	9.1
193.14349	1.8
193.15851	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03915	1.5
55.01845	1.6
55.05499	13.4
57.07043	7.1
59.04962	1.8
60.27214	1.1
65.03911	3.0
67.05479	29.5
69.03400	14.1
69.07049	23.4
71.04967	2.3
79.05463	12.1
81.07037	20.0
83.04955	15.5
83.08590	6.8
85.02879	2.2
85.06520	5.8
87.00800	1.3
91.05454	19.5
93.03363	2.7
93.07019	22.7
95.04933	18.8
95.08572	43.7
97.02865	1.6
97.06476	2.4
97.87777	1.3
99.08058	6.4
103.05437	6.8
105.06998	49.4
105.26130	1.2
107.04942	1.6
107.07888	1.8
107.08566	31.0
109.06512	11.4
109.10125	39.1
111.04417	18.1
111.11687	1.8
115.05384	2.9
117.06989	4.9
118.04132	2.7
119.08540	73.6
120.09317	1.4
121.02768	1.9
121.10139	10.8
123.08022	6.7
123.11649	3.1
123.74737	1.3
129.05421	9.7
131.08530	2.9
132.05695	1.5
133.06442	17.6
133.10089	100.0
135.07994	2.0
135.11633	31.8
137.09586	13.4
139.03812	1.6
145.10069	6.0
147.04388	1.8
147.06541	2.7
147.07962	2.6
147.11638	18.0
149.02315	1.9
149.13226	7.4
151.14745	2.5
161.05916	12.2
174.02425	1.2
175.14761	78.6
193.08524	14.9
193.15829	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	193.1583
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.05095	0.7
55.05494	10.0
57.07046	1.7
59.04956	0.9
63.96561	0.7
65.03909	0.9
67.05478	9.8
69.03422	0.9
69.06680	1.4
69.07042	35.8
70.27621	0.8
71.04964	15.3
79.05469	6.9
81.07024	24.0
83.04936	4.5
83.08562	3.0
85.06519	7.8
91.05415	5.4
93.07005	25.0
95.04929	30.3
95.08576	16.0
97.06480	1.4
97.10152	6.4
99.08057	6.6
105.06998	10.1
107.07885	1.4
107.08563	26.3
109.06485	100.0
109.10114	18.7
111.08030	4.3
111.11656	2.0
119.08548	20.8
121.10097	6.4
123.07999	6.1
123.11647	13.8
133.10097	18.6
135.11652	24.9
137.09583	10.3
147.11662	1.6
149.13219	6.3
151.11115	3.4
151.14810	1.5
175.14755	26.9
193.15807	45.1
209.81580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1583
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03909	2.2
55.05494	19.2
57.07040	5.1
58.05941	2.2
59.04971	2.6
61.60008	1.9
62.44355	2.2
67.05481	49.2
69.03389	2.8
69.07040	13.7
71.04974	2.9
71.91217	2.4
73.28846	1.9
79.05469	14.3
81.07025	25.0
83.04951	3.8
83.08588	3.0
85.06524	12.7
86.07971	2.8
91.05449	14.1
93.07009	27.8
95.04959	4.3
95.08575	32.0
99.08051	100.0
105.06998	15.9
107.08547	37.4
109.06499	2.9
109.10117	78.7
119.08527	44.4
121.10072	17.5
123.08033	15.7
123.11651	4.9
133.10081	58.3
135.11639	50.7
137.09552	24.8
151.11107	9.5
175.14801	31.4
193.15787	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	193.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	20.7
57.03395	2.1
57.07059	3.4
59.04966	3.9
63.43605	1.9
67.05477	44.5
69.03395	9.2
69.07036	12.9
79.05455	16.6
81.07014	33.2
82.96594	2.1
83.04948	11.4
85.06067	2.1
85.06515	16.8
91.05447	25.7
93.07007	26.9
95.04937	10.7
95.08568	31.1
99.08057	100.0
105.06979	24.5
107.08562	39.4
109.06480	11.9
109.10119	90.2
111.04366	2.9
119.08533	42.4
121.10092	15.6
123.08048	18.4
123.11678	10.0
129.05417	2.9
131.08490	2.3
132.17506	2.1
133.06435	2.1
133.10077	57.3
135.11644	51.1
137.09550	28.1
138.10426	2.7
147.11653	2.6
149.13220	5.0
151.11125	4.9
151.14732	2.1
164.67607	2.2
165.16347	3.5
175.14746	26.9
193.15834	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	193.0856
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.02361	0.3
53.03935	0.8
55.01857	4.2
55.05487	0.6
59.04987	0.7
65.03928	0.4
67.05484	0.7
69.03408	1.9
69.07052	1.3
79.05463	14.9
79.05918	0.5
81.06990	0.3
83.04955	1.8
85.02892	0.5
90.04672	1.4
91.05452	4.3
93.03329	0.4
93.07004	2.8
93.99510	0.3
95.04931	4.8
98.97564	0.5
102.04688	0.3
103.05431	18.8
104.06232	1.2
105.06999	100.0
107.04959	0.5
107.08560	3.6
111.04443	1.5
115.05421	24.4
118.02815	0.4
118.04124	13.5
119.08523	0.8
121.10108	5.1
129.05391	0.5
131.04909	4.0
132.05713	1.2
133.06451	70.9
133.10086	3.3
143.04871	1.4
143.06003	5.7
146.03548	0.4
149.05904	0.6
149.13222	2.7
161.05930	58.1
178.02567	0.4
193.04857	3.2
193.08548	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	193.1219
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03926	3.4
54.82138	0.7
55.01842	0.9
55.05490	5.3
55.21868	0.8
56.05281	0.6
56.96536	1.0
57.03416	100.0
65.03914	1.2
67.05482	11.8
69.03385	1.9
69.17875	0.8
71.56004	0.8
73.18325	0.7
74.45824	0.7
75.04440	4.4
77.11961	0.8
79.05465	8.1
81.03387	0.9
81.07017	7.2
83.04943	1.8
85.06506	5.2
91.05442	50.5
92.82478	0.8
93.07006	39.3
95.04931	17.2
95.08574	1.9
97.06494	1.1
103.05412	3.1
103.77814	0.8
104.06216	1.2
105.04467	1.6
105.06992	24.6
107.04921	1.8
107.08551	3.4
109.06483	1.6
109.10129	3.8
111.04418	1.4
115.05425	1.5
117.06976	11.0
119.04848	1.0
119.08537	52.9
121.06453	31.8
129.05324	1.3
129.06976	1.5
131.04773	0.9
131.08516	1.5
132.05632	1.1
133.02895	0.9
133.06451	8.0
133.10088	9.1
135.08029	1.9
137.09573	8.7
142.07738	4.8
145.06453	3.2
146.07201	10.0
147.07990	18.2
147.11624	13.8
151.50845	0.8
157.10078	1.8
160.08792	3.2
164.11432	1.0
168.74837	0.8
175.11128	19.0
190.95428	0.8
193.12172	3.5
213.36858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0703
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.81634	1.4
53.03922	3.5
55.01846	1.9
55.05497	18.0
55.80973	1.4
55.86594	1.5
59.04989	9.4
62.21850	1.8
63.33323	1.7
65.03926	13.9
67.05480	36.0
69.03403	77.1
78.54702	1.5
79.05460	3.5
81.07040	2.4
81.59312	1.6
83.04951	100.0
85.02871	16.9
87.00810	10.2
91.05442	3.2
92.62649	1.8
93.03362	25.9
93.07019	2.4
95.04932	87.3
95.05540	3.2
97.02856	9.7
103.45834	1.6
105.04538	2.6
105.07003	16.8
107.08558	3.2
109.10117	1.9
111.04409	96.0
119.08558	4.2
121.02834	10.0
121.10045	1.8
125.77061	1.9
129.05432	56.0
129.06316	3.1
132.72339	1.9
133.06459	6.8
133.10086	9.1
139.03880	23.2
147.06488	17.8
150.03093	3.3
150.94101	1.7
157.04938	9.7
161.05435	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	193.0856
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03929	2.0
54.43806	1.0
54.80884	1.1
55.01851	6.0
55.05483	6.2
55.88462	1.0
57.03408	1.0
57.07049	1.1
59.04971	2.6
63.20058	1.0
65.03906	1.0
66.04699	1.3
67.05473	9.3
69.03388	1.8
69.07043	2.4
79.05020	1.5
79.05457	26.5
81.07019	10.5
82.07838	1.1
83.04939	5.6
84.57777	1.0
85.06499	2.3
90.04669	1.4
91.05453	20.5
91.08372	1.1
92.06164	1.2
93.06998	11.7
95.04927	11.2
95.08543	8.7
98.97527	1.7
99.08061	19.9
103.05437	21.8
104.06203	2.7
105.04459	1.1
105.06992	100.0
107.04907	6.7
107.08542	9.2
109.06470	4.9
109.10120	13.4
111.04353	2.0
115.05431	20.5
116.98582	1.5
118.04113	22.9
119.04898	2.2
119.08523	11.0
120.05692	2.6
121.06449	5.3
121.10069	2.5
122.07218	5.6
123.07995	1.6
124.05162	1.7
129.05457	1.4
131.04857	5.3
132.05698	1.4
133.05434	2.4
133.06447	74.8
133.10106	8.4
134.07248	1.3
134.99567	1.3
135.04366	5.6
135.08005	6.2
135.11650	9.0
137.05902	5.9
137.09537	5.2
143.05995	5.5
147.04364	7.4
147.08006	1.7
148.05124	1.5
149.02292	4.5
149.05908	6.7
150.06732	15.2
151.11070	1.5
157.06430	1.3
161.04593	1.6
161.05920	45.7
165.09088	11.7
165.74713	1.1
175.07507	1.6
175.14761	5.4
178.06201	1.6
181.16667	1.2
193.04887	2.1
193.08551	27.5
193.15807	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	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
54.89939	2.7
55.05496	19.7
55.64155	2.7
57.07055	3.4
60.30233	2.6
67.05479	20.2
69.07047	49.0
69.15168	2.6
69.88038	3.0
79.05470	15.4
81.07019	17.0
83.08586	7.8
87.68821	2.9
91.05389	3.9
93.07014	62.8
95.08570	79.0
97.10148	3.0
105.07010	6.1
107.08571	72.2
109.10126	44.5
116.67757	2.8
121.10105	79.9
123.11696	6.9
127.94106	3.4
131.08519	3.4
135.11650	62.6
149.13213	13.5
164.76050	4.3
173.88902	3.5
191.17880	100.0
191.19447	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	191.179
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.02014	1.7
55.05497	15.9
55.21002	1.4
56.43167	1.4
56.96540	2.3
57.07040	2.6
59.18698	1.4
67.05488	12.6
69.07047	42.2
70.79793	1.4
71.45163	1.6
72.22838	1.3
76.55400	1.4
77.65034	1.3
79.05450	12.1
81.07014	10.5
83.08597	12.3
91.05453	7.8
93.07018	45.4
95.08582	78.1
97.10130	6.7
105.06969	6.5
107.07895	2.6
107.08569	56.8
109.10133	36.7
119.08563	2.9
121.06373	1.7
121.10103	68.0
123.11663	7.2
134.32533	1.7
135.11652	46.9
149.01189	2.5
149.13228	13.1
163.14818	2.3
167.02269	2.6
185.10677	1.7
191.14305	2.8
191.17882	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0863
Annotation	Calystegine C1
Peak:m/z	Relative Intensity
51.62210	0.5
53.03917	2.5
56.96541	3.0
57.36971	0.5
60.04500	1.3
68.05003	8.6
68.99748	2.3
69.03397	2.3
74.02398	2.6
78.79195	0.5
83.04923	0.8
86.06033	3.2
87.04405	0.7
88.03954	46.4
91.98718	0.5
92.09260	0.9
96.04450	100.0
97.02850	18.8
98.97543	0.8
100.07574	1.4
110.06020	0.7
111.00786	2.0
111.04420	1.3
114.05484	85.5
128.07019	5.1
129.01793	2.7
129.05443	2.9
132.06500	15.4
134.18306	0.6
139.00227	2.3
139.03749	0.6
142.04974	0.8
146.08034	5.2
156.06499	22.8
157.01181	0.7
161.08960	0.6
174.07545	9.0
192.08612	7.0
192.12151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.179
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.23790	2.2
52.85635	2.2
53.19835	2.1
54.80339	2.5
55.05491	14.5
59.38036	2.4
64.31888	2.5
67.05494	3.3
69.07043	37.4
79.05470	10.8
81.07022	6.8
83.08612	2.6
90.89960	3.3
91.05445	5.8
93.07003	45.7
95.08578	54.1
97.10114	4.1
107.08568	41.0
109.09476	2.5
109.10133	24.5
109.24773	2.8
121.10107	55.6
123.11709	4.6
135.11668	41.6
149.13232	11.3
191.17880	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.179
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05483	12.0
55.16214	1.4
55.88124	1.6
57.07057	2.1
62.00946	1.6
64.32556	1.8
65.59266	1.7
66.53796	1.6
67.05486	13.8
69.07046	42.4
79.05455	11.3
80.37875	2.0
81.07024	9.4
83.08598	9.5
91.05437	3.0
93.07012	47.9
95.08573	72.0
97.10130	7.9
98.45924	2.2
105.06971	3.7
107.08569	53.5
109.10125	37.5
119.08580	2.2
120.50789	2.0
121.10107	78.4
123.11666	7.7
133.10088	2.7
135.11642	53.1
149.13243	12.8
191.17879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.23785	2.1
50.97964	2.0
53.85729	1.9
55.05499	17.3
57.92105	2.1
62.34899	2.6
63.48941	1.8
67.05470	16.6
69.03403	9.4
69.07042	18.0
71.04967	25.5
79.05467	22.7
80.16135	2.0
81.07030	26.0
83.08090	2.4
83.08543	5.6
85.06534	10.1
91.05450	33.8
93.07009	41.9
95.04948	5.8
95.08575	38.3
97.06493	25.7
105.06996	65.4
105.07678	4.1
107.08562	71.9
109.06487	15.9
109.10146	8.5
111.08042	5.7
115.05421	3.9
117.07001	9.4
119.08557	25.8
121.06496	4.0
121.10088	59.2
123.08033	4.8
123.35927	2.4
129.06960	5.7
131.00206	2.5
131.08511	32.4
131.63300	2.1
133.10083	93.1
135.07994	34.1
135.11617	3.0
143.08510	14.1
144.09335	2.6
144.58607	2.4
145.10120	21.8
147.11667	25.9
149.09560	5.0
149.13200	28.5
151.13481	2.2
158.10898	17.6
163.14751	5.6
173.13213	27.7
191.14238	100.0
192.07010	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	191.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57601	1.8
53.03914	2.2
55.01854	2.2
55.05488	10.1
56.96544	5.3
61.14460	1.8
62.90909	2.0
67.05494	19.8
69.03394	8.8
69.07037	23.2
71.04963	31.0
71.74436	2.2
75.15549	1.8
79.05452	23.1
81.07000	17.6
83.04980	3.2
83.08606	3.8
85.06519	12.8
91.05447	41.9
93.07008	41.8
95.04932	14.6
95.08572	37.7
97.06495	23.6
103.05375	6.9
105.06997	64.1
107.04906	11.3
107.08562	68.6
109.06461	17.7
109.10138	11.3
111.08038	4.7
115.05389	4.8
116.06217	2.3
117.06969	5.5
119.08515	25.5
121.10096	62.4
121.45377	2.5
123.08029	8.9
129.06943	4.7
131.04919	3.6
131.08531	37.1
133.10085	84.3
135.08011	40.5
135.11652	10.0
137.34734	2.3
143.08537	10.8
145.10078	20.2
147.11638	35.6
148.05142	3.6
149.01175	5.5
149.09544	3.2
149.13182	25.0
158.10881	15.5
173.13185	35.9
191.06931	2.8
191.14235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	8.9
56.96540	2.0
57.07057	1.7
59.04979	5.5
60.02491	1.4
67.05476	19.2
69.07027	11.2
69.93915	1.6
71.04963	30.0
79.05460	26.0
81.07017	17.7
83.08541	2.2
85.06506	22.8
89.68272	1.5
91.05446	31.1
92.08716	2.1
93.07003	27.2
95.04939	11.9
95.08569	26.7
97.04341	1.5
97.06493	21.4
103.05389	1.9
105.06997	52.3
107.08562	100.0
109.06477	19.9
109.10130	12.3
111.08052	12.3
115.05404	3.0
117.06968	8.5
119.08542	25.4
121.06467	3.2
121.10097	68.3
123.08018	25.4
129.06979	2.1
130.07756	1.4
131.04901	1.7
131.08531	36.0
133.09079	2.3
133.10086	68.3
135.08002	39.1
135.11627	2.7
143.08536	11.2
144.36627	1.6
145.10094	19.7
147.11644	30.8
149.09586	7.6
149.13188	20.5
153.27599	1.6
158.10806	13.3
173.13191	43.9
191.14243	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	191.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48053	1.5
55.01841	7.9
55.05476	7.2
57.03396	1.4
57.07024	1.8
67.05479	3.0
67.09622	1.3
69.03397	9.1
69.07043	30.3
76.54917	1.5
79.05441	9.3
79.83297	1.3
81.07016	6.7
83.04941	2.8
83.08614	1.8
91.05437	15.9
92.09348	1.7
93.07010	28.3
95.04921	3.5
95.08558	3.5
97.06446	1.8
105.07018	21.6
107.08559	32.9
109.06482	2.4
109.10123	8.3
115.05386	2.2
117.06941	3.5
119.08548	15.6
121.06458	24.1
121.10110	29.6
122.07233	2.3
123.08048	2.5
131.08539	9.9
133.10089	100.0
135.08022	12.8
135.11626	8.5
137.09586	18.0
143.08501	3.2
145.10109	6.8
147.11639	41.8
149.09552	2.9
149.13197	18.6
154.78767	1.7
158.10857	2.7
161.09587	12.2
171.71144	1.6
173.13223	14.8
191.14243	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	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03930	0.9
55.01643	0.6
55.01860	9.4
55.05484	3.5
55.61222	0.5
57.07034	0.6
64.04992	0.5
67.05467	2.6
69.07044	23.8
79.05472	4.1
81.07015	2.6
83.04954	2.4
83.08575	0.7
88.17818	0.5
91.05447	12.3
93.07005	30.6
95.04928	3.2
95.08601	5.0
97.06483	3.1
105.04471	0.7
105.06981	7.4
107.07894	0.9
107.08563	18.8
109.06495	0.8
109.10128	2.4
115.05394	0.6
117.06968	2.9
119.08533	6.0
121.06457	26.7
121.10091	15.5
123.08009	3.9
129.06949	0.6
131.08527	7.2
133.10075	10.2
135.08009	11.0
135.11610	4.5
137.09560	1.0
143.08528	2.4
145.10115	4.8
147.11642	46.4
149.09581	6.1
149.13222	10.5
158.10880	2.7
161.09557	16.5
163.11110	2.2
163.14732	1.9
173.09685	0.9
173.13199	12.6
174.22285	0.5
176.11855	3.2
191.14243	100.0
199.30521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.65602	0.3
55.05492	4.4
57.03425	0.5
57.07050	0.9
57.38713	0.3
67.05471	3.2
69.03414	6.3
69.07050	4.0
78.88425	0.4
79.05453	5.6
81.07016	5.6
83.04947	0.6
87.90832	0.4
91.05450	6.0
93.07020	5.9
95.04908	1.5
95.08572	2.2
101.73324	0.4
103.24686	0.5
105.07002	16.3
107.04938	2.4
107.08556	16.9
109.06477	2.1
109.10122	6.2
115.05387	1.9
117.06960	2.1
118.07745	0.8
119.08534	4.2
121.06490	0.6
121.10094	11.1
122.07240	4.3
123.08073	1.6
131.08517	4.5
133.10083	100.0
135.08028	3.3
135.11621	0.9
137.09578	16.0
143.08501	1.6
145.10088	2.0
147.11671	0.9
149.13205	8.8
158.10907	2.9
163.14659	0.7
173.13190	5.9
191.14230	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	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.24897	1.9
51.98910	2.4
55.05490	9.9
56.96570	2.2
59.47026	2.2
64.32323	1.9
65.03889	2.6
67.05459	4.6
69.03399	4.8
69.07050	3.8
69.55206	1.9
79.05458	11.8
81.07021	15.2
83.04966	2.6
85.06496	3.5
91.05453	19.6
93.07006	12.5
95.08553	9.0
97.06499	5.4
103.05424	2.5
105.06993	62.6
107.08562	37.4
109.06504	4.0
109.10123	4.2
114.05847	2.1
115.05408	2.1
117.06957	10.2
119.08531	24.1
121.02819	4.1
121.06470	4.0
121.10107	17.3
123.08076	2.5
129.06934	5.5
130.07820	3.8
131.08537	49.9
133.10085	100.0
135.08018	11.3
143.08495	14.2
144.09280	5.5
145.10110	21.6
147.11667	16.3
149.09547	3.6
149.13208	17.9
158.10880	13.8
173.13200	46.5
191.06845	18.6
191.14194	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.24215	0.6
53.03920	0.8
54.80728	0.5
54.80986	0.5
55.05503	5.1
55.72723	0.4
55.99678	0.4
56.12761	0.6
57.07066	0.6
59.67962	0.5
59.94424	0.5
66.06786	0.6
67.05470	3.0
67.40343	0.6
69.03415	8.6
69.07034	3.6
79.05458	6.7
81.07031	7.0
83.04925	1.4
83.08575	0.9
84.87363	0.6
85.33203	0.7
87.25468	0.5
91.05457	6.8
93.07001	5.2
95.04929	0.9
95.08564	3.7
105.06995	17.0
107.04901	2.9
107.08558	18.9
109.06469	1.5
109.10129	6.9
114.53102	0.6
115.05460	1.0
117.06939	1.0
119.08545	4.5
121.06456	1.3
121.10094	15.0
122.07255	3.5
123.07955	0.8
131.08553	4.9
133.10088	100.0
135.08015	2.5
135.11630	1.3
137.09567	15.6
143.08551	0.9
145.10086	2.7
147.11642	1.2
149.09618	1.5
149.13213	11.4
158.10857	2.5
163.14729	1.4
173.13191	5.7
191.12744	0.8
191.14261	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	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.80684	1.0
55.05482	5.0
57.07041	2.2
59.04986	2.4
67.05467	3.2
69.07047	12.2
79.05472	15.2
81.07014	5.5
83.08577	1.8
85.06472	1.3
87.93407	1.1
88.97378	1.3
91.05448	25.3
93.07011	19.2
95.08579	9.0
97.06487	5.7
105.06995	39.3
107.08560	100.0
109.06496	5.3
109.10133	1.9
117.06976	5.2
119.07732	2.5
119.08534	52.0
121.06520	1.6
121.10100	29.2
123.07991	1.8
129.07001	4.1
131.08516	32.1
133.10085	48.7
135.08008	5.8
135.11635	9.7
143.08537	9.4
144.09340	2.5
145.10083	25.3
147.11659	13.5
149.01152	1.4
149.09595	2.6
149.13145	7.5
158.10883	12.9
163.14775	10.8
173.13199	43.2
191.12518	2.5
191.14247	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
70.65305	0.2
76.30820	0.2
79.36570	0.2
83.56896	0.2
89.03889	0.9
116.04935	3.2
162.05446	100.0
165.33052	0.2
167.85017	0.2
190.04921	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	190.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77244	0.8
55.05497	22.6
56.96551	1.4
57.03418	7.7
57.07054	1.4
58.06572	6.9
58.06827	0.9
65.63728	1.0
67.05486	15.7
67.96394	0.9
69.07043	11.9
70.06565	21.6
71.04957	4.2
72.08105	1.4
79.05439	2.5
81.07030	46.6
83.08614	1.4
84.08125	2.0
85.06516	14.9
90.03637	0.9
92.62273	1.2
93.07016	2.0
95.08569	48.2
97.10112	2.0
98.09631	1.1
106.10099	1.3
109.06480	8.2
109.10172	1.8
111.03763	1.1
113.05930	1.3
123.50390	1.0
127.07509	8.9
133.10036	2.2
137.05917	4.0
137.13248	5.2
154.15852	18.9
155.07013	4.2
155.14281	1.5
162.05452	30.0
172.16899	100.0
173.08002	5.0
190.04967	8.1
190.17935	17.7
199.95569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0495
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
55.05477	0.8
56.05003	0.5
56.96547	4.7
57.03394	1.7
57.07022	1.8
57.22104	0.4
58.06581	3.9
60.04476	1.8
60.08109	0.4
60.42383	0.3
65.03887	0.5
65.85499	0.3
67.05484	4.4
69.03377	1.9
69.07037	3.7
70.06535	2.0
71.04959	1.3
72.08099	1.7
73.02856	0.4
81.07043	0.4
84.07638	0.5
84.08111	10.9
85.02868	0.7
85.06515	23.4
86.06030	0.6
86.09669	8.2
87.04430	0.6
87.09980	1.4
89.03889	0.7
95.04909	0.5
97.02843	1.9
98.97508	1.8
100.03944	0.4
102.09138	10.7
111.03734	0.5
111.04427	0.6
112.07541	0.4
116.04932	2.8
116.98550	0.9
119.01746	0.4
121.02717	0.4
126.12729	2.8
128.98535	0.6
134.01726	0.4
134.99571	0.6
141.96925	0.4
144.10141	11.5
144.13786	9.2
146.99562	0.5
148.09615	3.6
149.01114	0.6
154.08676	0.4
162.05443	100.0
172.13295	0.4
172.16989	0.5
190.04938	24.8
190.10670	0.9
190.14330	2.2
190.17915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37418	3.6
53.50097	3.8
55.05483	4.2
69.03404	4.5
69.07052	3.7
80.13803	3.3
83.88914	3.5
86.78877	3.5
91.05440	18.4
93.06974	3.8
95.04922	3.5
105.07000	44.1
111.56579	5.2
117.06950	8.5
119.08521	58.3
128.06168	6.9
129.06923	16.6
130.07715	5.8
131.08507	17.8
133.06395	6.6
133.10089	16.1
141.06950	19.3
143.08434	5.4
145.10057	26.2
147.08014	15.5
147.11623	40.3
155.08521	6.3
156.09296	85.8
159.07967	16.9
159.11597	14.5
161.05916	9.2
161.09514	9.1
161.13147	5.4
171.11621	67.1
174.10309	18.3
183.82597	4.3
189.09113	14.1
189.12659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1633
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
54.81131	1.6
55.05484	9.2
56.96547	1.9
67.05473	2.8
68.08858	1.2
69.03395	2.9
69.07035	9.8
71.54756	1.7
79.05471	2.6
79.53807	1.3
81.07031	3.0
83.04938	1.4
83.08588	3.4
89.26759	1.4
91.05446	7.4
93.07002	2.0
95.08572	25.9
97.62270	1.4
105.07001	33.4
106.90467	1.4
106.96508	1.5
107.08537	10.3
109.10116	3.2
111.03835	2.2
119.08547	47.0
121.10074	3.4
124.04580	2.0
124.97519	2.0
131.08521	8.3
133.10078	31.9
134.45491	1.4
142.98622	2.0
145.10103	7.1
146.10808	3.1
147.11655	40.2
149.02289	1.9
159.11673	8.3
161.13148	3.4
174.14014	2.7
189.13788	3.4
189.16328	100.0
193.66049	1.5
209.91682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58365	1.2
55.05478	5.8
61.75354	1.1
67.05460	2.3
67.53796	1.2
69.03413	9.7
69.07047	1.7
75.01297	1.1
75.84484	1.3
79.05446	1.7
81.07008	2.3
83.97396	1.2
89.47522	1.3
91.05437	13.8
92.09303	2.4
93.07018	5.4
95.04948	1.3
95.93268	1.7
105.06995	32.6
107.08562	2.4
116.06242	1.3
117.06956	7.4
119.08536	50.8
121.06499	1.8
121.10118	1.6
128.06171	8.1
129.06934	6.0
130.07739	6.9
131.08516	13.6
133.06412	3.1
133.10115	12.8
135.08009	6.3
141.06940	11.0
143.08501	9.8
144.09334	1.8
145.06451	3.1
145.10083	19.1
146.07307	1.5
146.10835	1.6
147.08026	14.4
147.08995	2.0
147.11644	31.8
155.08484	1.6
156.07993	2.0
156.09282	60.7
159.07991	22.9
159.11641	10.7
160.08774	8.0
161.09572	7.3
161.13243	12.4
171.08139	1.4
171.11620	46.5
174.10330	31.8
189.12680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.08006	0.6
54.46593	0.7
77.38828	0.7
84.04442	0.9
91.05460	6.0
92.09354	0.9
109.81701	0.8
110.50096	0.8
115.05416	9.4
117.05706	1.8
117.06990	5.4
118.06500	100.0
142.06464	6.9
143.07260	17.8
144.08040	27.5
146.05968	88.4
155.05992	1.4
160.07541	1.0
170.05952	9.1
175.95018	0.9
188.07008	20.7
195.42340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1325
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.00285	1.7
53.03923	1.9
55.05500	6.8
57.03422	0.9
59.04977	1.1
67.05479	7.1
69.03391	1.2
69.07043	19.8
71.04575	1.4
71.04964	29.2
73.06515	1.3
79.05465	22.8
81.07024	100.0
83.04948	7.4
83.08571	1.7
83.98420	1.0
87.08059	1.2
91.05460	1.5
93.07007	4.3
95.08575	5.0
97.06490	5.9
97.10140	1.8
99.08039	5.2
105.00044	0.9
105.06994	1.7
107.08565	10.6
109.06443	3.8
109.10132	15.3
111.08054	3.8
111.11667	7.6
113.05938	1.0
121.10111	1.3
123.11672	15.5
126.96792	1.0
133.10109	1.7
139.11166	7.1
141.11201	1.0
145.96747	1.0
149.10648	0.9
151.11147	9.1
157.12213	4.3
159.15665	1.1
169.12170	7.7
175.48357	0.9
187.13196	1.4
203.05785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1325
Annotation	Streptenol D
Peak:m/z	Relative Intensity
51.47881	1.1
52.34371	0.9
53.03928	3.0
55.01860	8.7
55.05503	12.7
57.03440	1.2
59.04982	35.9
63.86815	1.0
67.05475	14.2
68.65465	1.2
69.03416	1.9
69.07032	5.1
71.04970	4.7
75.46406	1.1
77.17889	1.1
79.05459	18.2
81.07028	75.7
83.08595	5.6
87.04440	8.5
89.06012	1.4
91.05441	32.2
93.07008	100.0
93.31822	1.2
95.04932	12.0
95.08571	5.5
97.06493	1.3
105.04502	1.9
105.06998	31.9
107.08554	7.4
109.06495	4.9
109.10096	8.5
111.08051	19.9
121.10131	5.3
123.08025	2.2
123.11636	9.1
131.08563	1.5
133.10107	9.1
133.78494	1.2
151.11136	10.5
169.12212	6.1
187.14709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1325
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03923	2.5
55.05486	5.8
57.07058	1.6
67.05476	5.8
68.38639	1.1
69.07041	19.0
71.04961	26.7
74.45052	1.2
79.05457	20.7
80.76519	1.3
81.07021	100.0
83.04946	7.4
87.08118	1.4
93.07005	2.7
95.04926	1.7
95.08576	1.6
97.06484	7.5
98.97508	2.4
99.08047	5.7
107.08540	10.5
109.06457	2.1
109.10125	16.2
111.08055	1.4
111.11666	5.7
121.10108	2.5
123.08051	1.3
123.11662	15.7
127.03812	1.8
139.11139	7.1
151.11147	11.3
155.03366	1.7
157.12234	5.0
163.86766	1.3
169.12186	3.0
179.55301	1.4
187.13214	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1325
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03435	1.8
53.03921	3.4
55.01844	11.1
55.05486	12.1
58.50440	2.0
59.04987	41.7
63.81155	1.8
67.05156	2.4
67.05477	33.9
69.07030	3.5
69.41885	2.7
71.04955	32.8
72.34614	2.2
79.05451	16.1
81.07027	93.9
85.06513	30.5
86.04240	2.1
87.04432	5.6
91.05444	44.0
92.09288	2.5
93.07011	100.0
95.04916	16.4
95.08559	9.5
105.06999	55.3
107.08542	21.7
109.06462	11.2
109.10131	25.2
109.80856	2.2
111.08059	21.5
113.83009	2.1
121.10093	4.0
123.07999	2.8
123.11668	12.2
133.10085	33.0
135.14270	2.6
151.11200	18.6
153.01834	2.4
158.00127	2.4
169.12195	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	183.1376
Annotation	Nordavanone
Peak:m/z	Relative Intensity
51.97251	2.4
53.00275	4.4
55.01847	12.9
55.05489	19.2
57.03425	21.3
61.02900	12.4
62.04230	2.4
67.05482	16.1
69.03037	4.6
69.03402	100.0
69.07043	7.1
71.04961	46.8
73.02835	3.2
73.06522	7.5
76.07642	2.7
77.90990	2.9
79.05469	27.1
81.03383	7.3
81.07022	34.9
81.31262	3.2
83.04958	37.2
85.02873	23.6
85.06521	11.5
87.04420	5.6
91.05430	6.1
93.06991	14.4
95.04916	4.6
95.08563	18.2
97.06487	67.3
99.04414	14.1
99.07441	4.4
99.08055	74.1
101.44349	2.8
105.07008	11.7
107.08546	12.7
109.06461	4.8
109.10108	5.9
111.04411	19.1
121.10068	3.7
127.07490	7.4
129.05406	4.0
137.13206	3.9
165.09026	4.4
183.13618	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	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41035	0.1
64.65524	0.1
65.53173	0.1
69.63207	0.1
82.99785	1.0
83.04939	0.1
101.00843	19.7
102.00932	0.6
102.52193	0.1
118.03471	0.2
119.01880	100.0
120.01936	2.6
121.02319	0.2
124.02414	0.7
131.01956	0.1
132.99722	0.1
137.02911	34.7
138.03011	0.8
142.03456	14.4
143.03577	2.4
160.03133	0.1
160.04498	5.5
161.02904	3.7
161.04616	1.3
179.03941	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	183.086
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
52.07051	0.4
53.03928	3.0
55.01859	9.6
55.05501	14.0
57.03150	1.0
57.03421	22.3
59.04977	1.0
61.02901	16.0
65.03915	1.0
69.03405	100.0
71.01307	0.6
71.04965	7.0
73.02887	6.8
75.04464	0.7
81.03384	7.5
83.04952	34.0
85.02876	26.5
87.04433	10.6
89.28684	0.4
91.03936	2.5
94.91254	0.5
99.04417	12.7
101.05968	0.6
103.03903	4.0
111.03190	0.5
111.04403	16.7
116.65049	0.5
117.05488	0.9
119.01894	2.9
129.05421	14.1
132.44174	0.5
137.02977	0.8
142.03534	1.9
147.06482	3.5
149.42026	0.4
160.04576	0.7
165.07564	1.7
166.26851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0861
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
50.01687	0.3
51.27583	0.3
53.03938	3.4
53.04131	0.3
54.22465	0.3
54.80930	0.4
55.01605	0.5
55.01858	9.2
55.05499	12.8
55.59815	0.4
56.96562	0.6
57.03421	23.0
59.04977	0.7
61.02907	17.2
61.03222	0.6
65.03925	0.9
67.05492	0.6
69.03407	100.0
71.04972	6.4
73.02889	6.3
74.82742	0.5
75.04453	1.7
81.03388	7.6
83.04953	32.1
84.75433	0.4
85.02879	27.3
87.04438	9.4
91.03935	2.0
99.04422	10.2
100.97114	0.5
101.00853	0.6
103.03906	4.7
105.80298	0.4
106.34354	0.5
111.04409	18.4
117.05453	0.9
119.01889	4.1
124.02370	0.4
129.05428	11.3
137.02914	0.6
138.00307	0.4
142.03433	2.8
147.06490	3.3
160.04558	1.8
165.07550	0.8
167.65259	0.5
196.93707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1218
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.29671	3.7
55.05499	6.8
55.60158	2.9
56.96544	7.0
57.07061	44.1
59.04970	4.2
62.38620	3.2
62.87886	2.8
65.77500	2.9
67.05472	3.9
69.07043	5.9
71.38833	3.4
73.07370	3.6
79.05457	21.7
81.03381	7.1
81.07039	5.6
83.04949	93.1
93.07037	7.1
95.04945	23.5
97.06474	51.0
98.97535	55.7
105.06952	4.3
116.98578	66.3
121.10119	6.4
125.05931	100.0
134.99597	55.7
145.10052	5.6
153.00671	13.4
162.69528	3.8
163.11110	61.3
181.12187	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
52.78039	2.8
55.05486	4.0
56.96545	15.1
57.07055	50.5
65.15444	3.7
66.00705	3.7
69.07040	6.3
74.42075	4.2
79.05473	6.4
81.03388	14.0
81.07022	13.4
83.04951	93.0
88.77530	3.5
90.62140	3.8
92.08593	6.9
93.06992	6.1
95.04938	21.3
97.06503	53.4
98.97552	51.0
105.07022	6.4
107.08559	7.5
116.98598	67.1
121.10129	7.3
125.05950	100.0
133.56789	3.4
134.99597	51.8
135.11661	7.4
145.10060	6.6
153.00674	7.9
155.61270	3.7
163.11122	85.8
181.12167	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	180.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
54.04174	0.6
55.01604	0.8
55.01854	18.5
56.96544	1.2
57.03151	0.7
57.03418	19.3
60.95836	0.7
61.02903	9.4
69.03402	59.2
71.01319	0.8
71.04949	2.7
72.04472	1.3
73.02885	11.0
81.03389	5.8
83.01319	0.9
85.02872	100.0
87.04427	0.6
91.03908	0.8
97.02847	28.3
98.97544	0.6
99.04427	11.6
100.02438	0.5
101.02336	13.3
103.03874	1.0
109.02800	2.2
113.73357	0.6
115.03880	3.9
116.98546	0.6
120.01915	0.8
127.03864	67.5
133.04939	0.6
134.07072	0.6
138.03011	0.6
145.04918	28.1
148.49489	0.5
156.97418	3.4
163.05962	3.2
169.53906	0.6
174.98453	3.1
175.90161	0.6
179.98972	2.3
180.08560	0.9
198.00111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.049
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.77206	0.3
56.96550	3.2
63.02340	0.4
65.03911	0.5
67.05469	0.4
79.05465	4.7
79.69560	0.3
88.90023	0.3
89.03885	24.5
91.05444	1.3
93.03362	0.4
93.06992	0.7
93.19296	0.3
95.04920	1.6
98.97546	24.0
105.60598	0.3
107.04919	9.8
111.04366	1.4
112.42403	0.3
116.98588	19.9
117.03336	30.5
134.99619	12.2
135.04372	57.4
139.03917	0.4
139.79138	0.4
143.89555	0.3
145.02806	27.3
145.03804	1.0
153.00676	2.3
158.01169	0.4
163.03844	100.0
164.04056	0.4
176.96762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.07
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
50.79893	1.5
54.80886	1.9
55.01854	16.7
56.96563	2.4
62.39425	2.0
65.03899	4.6
67.05494	16.6
79.05463	19.3
81.07012	9.2
91.05444	47.1
93.07017	9.9
95.04931	28.6
95.08577	4.8
102.73348	2.1
103.05439	10.0
105.07006	31.8
108.05711	4.4
109.06478	2.2
110.03593	9.7
111.04404	2.9
116.68015	1.9
118.04159	3.4
119.04896	42.3
119.08556	4.0
121.02859	3.0
121.10128	2.8
123.04387	100.0
123.08027	15.2
133.02797	2.1
133.06441	12.9
133.10091	12.2
136.05154	10.0
137.05893	2.6
138.68826	2.0
146.03630	4.7
147.04358	44.2
151.03888	2.6
151.07498	48.0
161.05960	16.5
161.07085	2.5
161.09601	4.9
161.13176	2.9
171.02240	1.9
179.03423	4.6
179.06982	79.9
179.10619	9.9
197.20818	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53711	2.4
54.81414	2.5
55.01852	3.6
56.96312	2.8
56.96549	36.7
57.03427	3.2
59.60545	2.7
61.02891	16.7
62.12530	2.9
68.91701	3.7
69.03412	33.6
70.45638	2.8
73.02886	7.3
78.58610	2.7
81.03383	6.1
85.02873	100.0
87.04463	3.1
89.39907	2.9
91.03919	4.7
97.02846	26.9
98.97543	47.2
109.02844	6.4
116.98590	44.7
117.36595	3.1
127.03866	15.9
134.99611	27.6
135.04378	3.0
139.27373	2.8
145.04860	7.3
153.00674	5.5
163.03767	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	179.0334
Annotation	Esculetin
Peak:m/z	Relative Intensity
52.14529	0.8
53.03919	1.0
67.05461	0.8
70.38007	0.9
77.03876	5.2
79.05437	1.1
80.83326	1.0
83.05532	0.8
89.03881	6.7
92.08657	1.2
94.08406	1.0
95.04922	4.9
105.03353	14.8
107.04901	5.0
109.37173	1.2
117.03334	3.8
123.03559	1.5
123.04397	29.5
133.02805	61.8
135.04378	7.0
151.03828	5.2
161.02280	4.9
179.03326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0708
Annotation	(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate
Peak:m/z	Relative Intensity
51.75298	0.5
52.60625	0.5
53.03927	1.6
56.96545	12.5
59.04977	4.1
61.02881	0.6
61.88263	0.5
67.42128	0.6
68.05009	8.0
69.03396	3.6
74.02409	68.4
75.01033	0.6
75.14875	0.6
83.00742	1.3
83.94455	0.6
84.01532	0.9
84.30563	0.6
85.02875	0.9
86.06037	15.4
87.04415	0.6
91.77149	0.6
92.01279	3.1
94.51529	0.7
96.04451	66.1
97.02853	17.8
97.99162	1.4
98.97558	5.3
103.52021	0.6
111.02028	1.1
113.02381	0.7
114.05488	100.0
116.00188	0.7
116.98556	1.1
120.02544	1.3
127.13588	0.6
129.03027	0.9
132.06511	38.9
136.93103	1.0
142.04944	6.9
142.96519	0.6
154.94116	3.4
156.61708	0.6
158.03728	0.6
160.05991	10.7
172.95201	3.2
178.07031	12.0
190.96266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0335
Annotation	Esculetin
Peak:m/z	Relative Intensity
55.01871	0.1
63.93785	0.2
65.03909	0.2
65.39695	0.2
67.01835	1.8
67.05458	0.2
68.99768	3.6
71.01319	0.8
81.03393	0.8
82.64742	0.2
83.04958	0.2
88.24002	0.2
91.05447	2.2
95.01213	0.2
95.04932	0.4
105.03362	0.9
105.07001	0.9
109.02850	0.4
109.06471	0.2
111.04417	3.1
119.04922	1.5
123.04367	1.8
127.03890	0.4
133.02812	1.9
133.06509	0.4
133.09991	0.3
137.02261	1.3
147.04375	3.3
151.03815	0.5
151.07495	0.2
155.03325	2.6
161.02290	1.2
179.03336	100.0
180.03593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
53.23450	1.1
53.98838	0.8
54.81561	1.2
55.05493	17.1
57.72348	0.9
58.23974	1.0
62.62276	1.2
64.80437	0.9
67.05465	5.5
69.07037	30.3
73.25856	1.1
79.05444	5.5
81.07024	13.8
83.08583	9.7
91.05449	16.2
93.06998	7.0
95.08562	11.3
98.97546	1.2
104.89523	1.1
105.06999	50.9
107.08535	9.7
115.05440	1.6
117.06961	5.2
119.08540	100.0
121.10085	4.8
129.55502	1.2
131.08514	8.4
132.09283	1.1
133.10085	88.4
143.04932	1.1
145.10059	9.7
147.11630	13.7
160.05104	2.4
160.12425	2.0
173.13216	1.3
175.07529	1.5
175.14757	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	175.1477
Annotation	Ionene
Peak:m/z	Relative Intensity
50.23633	0.9
55.05495	15.4
56.20828	1.0
67.05478	5.5
69.06675	1.4
69.07037	25.6
79.05453	4.4
81.07025	14.5
83.08585	5.2
91.05444	18.8
91.49804	1.0
93.07000	5.7
95.08572	10.0
97.02816	1.0
103.05387	1.3
105.06986	39.8
107.08572	9.4
108.48561	1.0
116.98553	1.8
117.06989	8.2
119.08535	100.0
121.10073	1.9
130.03120	1.2
131.08514	7.8
133.10080	82.6
134.99600	2.1
145.10077	8.5
146.10831	1.9
147.11632	11.0
157.04193	1.7
159.11591	1.4
160.05122	1.3
160.12410	2.5
175.13248	3.8
175.14752	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0541
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.89650	0.7
55.72643	0.8
63.02344	1.2
68.08162	0.9
71.46560	0.9
73.29770	1.0
78.04668	4.2
80.76505	0.8
84.67555	1.1
88.74266	1.0
89.03883	64.1
90.86794	0.9
91.05444	2.4
95.04906	1.6
98.97610	0.9
103.05437	1.7
103.68448	0.9
106.04156	2.1
117.03336	100.0
134.03561	13.3
135.04350	6.7
145.02795	86.3
145.03967	1.9
149.05942	25.2
177.05400	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	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.04070	1.1
53.03926	8.0
54.80951	1.2
55.01851	5.4
55.05243	1.6
55.05496	38.8
56.96519	1.5
57.03423	10.3
57.07048	3.0
63.65009	1.2
65.03921	1.9
67.05485	29.4
69.03403	5.2
69.07045	51.6
71.04971	12.8
72.83990	1.1
73.33958	1.0
79.05465	91.3
81.07029	60.6
83.04927	2.1
83.08610	6.8
89.03868	2.5
89.45105	1.2
91.05447	60.5
93.07011	100.0
95.04938	18.9
95.08569	26.3
97.06500	2.3
98.97553	6.5
102.26807	1.1
103.05416	2.0
105.04459	1.8
105.07006	43.5
107.04935	13.2
107.08560	63.6
109.06474	16.5
115.05414	7.4
116.06196	1.8
116.89492	1.3
116.98581	5.0
117.03336	5.6
117.06983	32.4
119.06017	1.6
119.08537	18.2
121.06467	19.1
121.10104	16.7
122.07230	2.0
123.08022	2.0
129.06944	10.2
130.07739	7.0
131.08521	27.5
133.06483	2.4
133.10097	6.0
134.99597	1.8
135.08046	11.5
135.11636	5.2
144.09276	9.3
145.02792	2.3
149.13225	8.6
159.11635	18.2
177.05386	2.3
177.12697	24.4
178.12236	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1634
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03918	1.2
54.80565	0.8
55.05499	17.1
57.07033	0.9
67.05470	9.6
69.07048	36.8
75.40871	0.9
79.05463	34.4
81.07025	80.0
83.08583	9.8
91.05444	9.3
91.64725	0.9
92.08725	1.3
93.07005	41.9
95.08570	43.5
97.10103	5.3
105.07011	7.1
107.08559	100.0
109.06490	1.9
109.10111	14.0
119.08549	1.3
121.10103	71.2
121.57932	1.0
126.82544	1.1
135.11618	10.4
149.13196	4.5
171.32405	1.0
177.14771	2.0
177.16316	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	177.1634
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05494	13.4
57.07050	1.4
63.77346	0.8
67.05475	7.1
69.01334	0.8
69.07043	32.7
72.41792	0.9
79.05466	16.9
81.07021	14.5
83.08592	13.6
87.28735	1.0
91.05423	8.9
93.07003	39.1
95.08565	41.5
97.10106	1.9
98.97530	2.5
105.06986	8.9
107.08559	78.0
109.06423	1.3
109.10126	13.3
111.95325	1.0
112.49477	1.1
114.92530	1.2
117.03344	1.9
119.08545	1.9
119.91344	0.9
121.10098	100.0
134.99605	1.1
135.11636	15.9
145.02832	1.5
149.13210	5.2
177.16322	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	177.1633
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.10942	1.1
50.57811	1.2
53.80783	1.2
55.05499	13.2
57.07053	1.7
64.85586	1.2
67.05485	9.9
69.07044	30.8
78.04675	2.3
79.05471	13.4
81.07028	17.0
81.59113	1.5
83.08591	16.1
89.03892	15.7
91.05451	12.8
93.07011	34.0
95.04922	3.2
95.08575	38.5
97.10141	2.5
98.97553	2.0
105.07003	16.7
106.04079	5.2
107.08565	81.7
109.06496	1.6
109.10150	14.3
116.98574	2.9
117.03345	33.0
119.08562	1.7
121.10105	100.0
128.94997	1.7
134.03568	6.2
134.99588	2.3
135.04297	1.6
135.11652	16.6
145.02808	28.0
149.05942	11.8
149.13223	5.7
177.05383	11.0
177.16322	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	175.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45974	0.7
52.61700	0.8
53.03914	1.0
55.05293	0.8
55.05496	15.5
66.76355	0.8
67.05463	4.1
69.07047	16.5
79.05449	5.8
81.07026	19.5
83.08575	4.0
91.05443	22.1
93.07004	11.2
95.04925	1.6
95.08566	16.2
95.21835	0.8
98.97519	1.3
105.06995	72.1
107.08566	13.5
117.06955	5.6
119.08536	100.0
121.10133	1.1
131.08527	15.6
132.09277	0.9
133.10083	63.1
145.10104	6.0
146.10847	4.7
147.11629	15.6
160.12450	1.5
162.74895	0.9
173.13202	1.9
175.07462	0.9
175.14758	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
53.29283	0.4
55.05494	4.6
55.80227	0.5
57.07042	0.8
67.05472	2.6
69.03397	0.5
69.07040	4.3
72.21134	0.5
79.05459	3.4
81.07025	23.1
83.08570	1.0
91.05449	7.0
93.07018	3.8
95.08565	26.9
100.14134	0.7
105.07001	18.4
107.08549	3.1
107.90086	0.5
115.05354	1.0
116.98586	0.6
117.06941	0.8
118.07780	0.6
119.08537	26.7
121.80978	0.5
129.84805	0.5
131.08517	3.4
133.10085	100.0
134.99611	0.6
145.10092	1.0
146.10774	0.8
147.04367	0.5
147.11662	2.8
150.49905	0.5
160.12535	0.6
175.07631	1.0
175.13206	1.2
175.14746	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	175.1477
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03920	1.4
55.05501	17.5
55.97184	1.0
62.26210	1.0
65.45788	1.1
67.05476	4.8
69.07039	17.8
72.22245	1.0
72.50510	0.9
73.02909	1.0
73.91597	0.9
74.93681	1.3
79.05479	8.3
81.07030	20.2
83.04955	2.1
83.08577	4.5
91.05450	20.6
92.08714	2.1
93.07005	8.6
95.08579	16.5
105.07000	63.4
107.08559	10.2
109.10124	1.0
109.11156	1.1
114.35454	0.9
117.06967	7.8
117.54505	1.1
119.08543	100.0
121.10119	2.5
128.49512	1.3
131.08530	15.9
133.10081	54.8
145.10060	2.8
146.10835	6.0
147.11636	18.0
149.85445	1.2
160.12431	1.3
173.13220	2.4
175.14771	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Ionene
Peak:m/z	Relative Intensity
52.62501	0.6
53.03951	0.7
55.05246	0.9
55.05494	15.0
57.07021	0.7
63.11244	0.6
67.05465	4.7
69.07043	17.0
70.12373	0.6
70.78848	0.6
71.38244	0.6
79.05456	6.0
81.07025	16.0
83.08590	3.9
91.05444	22.0
93.07002	9.0
95.04945	0.8
95.08560	12.2
95.40618	0.6
98.97536	0.9
105.06996	60.2
107.08569	12.4
111.04420	0.7
117.06987	6.2
119.08539	100.0
121.10077	1.2
131.08524	14.0
133.10088	62.5
145.10118	5.9
146.10826	3.5
147.11639	16.9
151.97154	0.7
160.12439	1.1
173.13113	1.0
175.14761	96.9
175.45499	0.7
188.53514	0.8
192.81462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99354	0.5
56.96525	0.9
57.45646	0.5
58.99847	2.2
60.00628	0.5
68.30872	0.5
72.93738	0.8
75.63969	0.6
77.00899	0.6
84.33184	0.5
85.01372	5.9
85.83240	0.5
98.97551	11.9
101.00847	11.1
103.02415	34.3
109.72520	0.6
115.02415	5.6
116.97205	1.0
116.98584	9.8
119.01883	69.5
121.03445	24.9
127.02350	0.8
131.01849	4.3
132.95839	0.7
133.03430	77.4
133.95952	0.6
134.99640	4.8
137.02916	29.5
137.49960	0.6
137.99950	0.7
145.03423	17.5
149.00745	0.9
149.02789	0.6
150.96805	1.4
151.04478	35.0
151.97000	1.3
152.74234	0.5
153.00658	0.7
157.03384	1.3
163.04471	11.3
175.04463	100.0
193.05524	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	174.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05247	1.4
55.05496	29.0
57.07056	9.8
58.06585	7.2
59.04986	1.6
62.06071	0.7
69.07041	16.7
69.07408	0.9
70.95831	1.5
71.08598	1.2
72.93764	0.9
83.08134	1.1
83.08589	17.7
85.46920	0.7
91.05386	0.7
96.97821	0.7
97.10132	7.5
100.11172	1.0
101.73878	0.7
132.08038	1.5
132.95757	1.4
133.10016	1.3
150.96849	4.5
156.17432	100.0
174.12720	3.7
174.18474	16.4
194.83366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0759
Annotation	(2S,5S)-trans-Carboxymethylproline
Peak:m/z	Relative Intensity
55.05494	11.1
56.05006	0.7
56.61757	0.4
56.96548	5.6
57.03411	1.8
57.17378	0.4
58.06605	0.5
58.68448	0.4
60.04498	2.1
60.05616	2.1
61.02885	0.6
65.65781	0.4
67.05482	0.7
68.05003	3.3
68.99763	2.6
69.03395	3.9
69.07050	0.5
70.06565	15.6
70.95849	0.6
71.04967	4.4
73.02852	0.4
76.02670	0.5
78.61047	0.4
79.05430	0.5
82.06550	57.7
83.04943	2.7
83.09924	0.4
84.04462	2.1
84.08113	2.0
85.02863	0.7
85.06509	0.6
86.06016	2.3
86.09667	0.5
87.04433	0.9
91.00483	2.2
96.04454	27.9
96.08131	0.5
97.02866	1.9
98.97543	0.7
100.00977	0.9
100.07585	3.8
101.06010	0.5
102.05504	7.1
102.06187	0.6
103.02410	1.1
105.00233	0.5
110.05991	0.7
110.09631	0.6
111.00814	0.8
111.04382	0.7
114.00745	0.6
114.05495	59.3
114.09161	1.3
115.03866	0.8
117.93641	0.5
118.06507	0.8
119.01868	4.6
121.03453	1.7
124.17713	0.4
128.07033	100.0
128.10654	2.6
129.01747	0.5
130.08566	0.4
132.08044	2.7
132.86205	0.4
132.95767	0.7
133.03444	0.9
137.02925	2.5
142.03462	1.1
145.08804	0.6
146.08093	0.5
150.96895	2.2
151.04468	0.7
156.03957	0.6
156.06494	2.4
156.10109	1.0
160.04503	0.7
174.07480	17.3
174.08713	3.2
174.11200	20.3
174.12723	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	172.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65931	0.3
53.00281	2.2
53.00546	0.3
53.99164	0.3
55.05472	0.7
56.33658	0.3
56.58310	0.3
56.96537	1.7
57.03427	0.4
57.07058	100.0
58.16512	0.3
59.99091	24.8
67.80860	0.4
72.04476	1.5
73.04822	0.5
73.32344	0.3
74.00165	0.3
77.00748	0.3
83.04953	0.6
89.00719	0.5
89.07142	0.4
90.90353	0.7
98.01238	0.5
98.97570	0.8
105.02001	0.5
107.01767	0.9
111.02003	0.8
111.04373	0.5
116.05276	17.2
116.98561	0.7
120.02512	0.6
124.24520	0.4
129.03046	2.4
138.03552	0.5
140.53864	0.4
172.11417	1.6
172.15216	0.7
172.16815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
53.19802	0.4
55.01867	0.5
55.05494	9.4
56.05008	0.7
56.96551	6.3
57.03408	1.8
57.07049	0.7
57.14917	0.4
59.04976	0.4
59.16857	0.5
60.04499	1.9
60.05618	2.1
61.02911	0.8
62.48065	0.4
67.05492	0.9
68.05010	4.1
68.99758	2.4
69.03400	4.8
70.06567	20.2
70.95845	0.7
71.04954	3.7
71.53110	0.4
74.01218	0.5
79.05470	0.6
79.45251	0.5
82.06550	57.6
83.04952	2.4
84.04488	1.0
84.08101	1.9
85.02854	1.1
86.06038	2.8
86.09613	0.4
87.04417	0.8
88.03938	0.6
91.00452	1.5
95.04943	0.7
96.04453	30.0
96.08081	1.0
97.02876	1.1
100.00952	0.5
100.07550	4.5
101.05962	0.5
102.05491	10.8
103.02417	0.8
103.03160	0.6
110.06007	1.0
110.09621	0.8
111.00767	0.4
111.04375	1.2
112.04698	0.6
112.08765	0.6
113.02362	0.5
114.00680	0.7
114.05492	70.8
114.09128	2.6
115.03889	1.0
116.98533	0.5
118.06496	1.0
119.01875	5.4
121.03473	1.0
124.99746	0.5
126.87361	0.4
128.07033	100.0
128.10677	2.9
128.15132	0.5
129.05466	0.5
129.07253	0.6
132.08049	2.3
133.03400	1.1
134.99545	0.5
137.02911	2.4
138.09181	0.5
139.00195	0.5
142.03438	2.0
145.08765	0.8
150.96843	3.3
151.04550	0.6
156.06494	3.1
156.10184	1.0
159.10318	0.8
160.04509	0.9
161.81735	0.5
162.99084	0.5
174.07460	17.9
174.08716	4.1
174.11200	26.7
174.12740	6.6
175.04555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1375
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01849	2.7
55.05502	29.2
55.81205	1.9
56.73077	1.9
57.03399	10.6
57.07043	14.0
59.04980	2.7
61.04688	2.0
67.05487	20.2
69.06732	2.8
69.07045	50.9
71.04964	48.8
72.04489	28.4
73.06524	19.9
78.73256	2.3
79.05455	29.9
81.07023	100.0
83.04918	3.5
83.08585	15.0
84.96832	2.2
85.06509	42.2
89.07106	20.4
91.05422	4.8
93.06999	35.4
95.04932	2.5
95.08561	15.1
97.06477	17.8
99.68766	2.4
105.06964	3.1
107.08562	32.4
108.47620	2.2
109.10110	23.5
123.08081	2.2
123.11691	18.1
125.09596	3.1
127.11103	3.5
127.99811	2.3
135.11670	37.1
141.12685	20.7
153.12709	40.1
171.13589	5.6
171.14865	16.5
181.17436	2.6
182.92636	2.4
184.71039	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	172.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
56.96560	0.5
58.27017	0.2
61.79115	0.2
66.63623	0.2
67.05479	0.3
68.96310	0.5
69.07043	0.4
70.06564	100.0
72.04491	1.3
81.07027	0.4
83.04979	0.3
85.06503	0.4
87.04424	0.2
89.07123	0.8
91.66907	0.2
92.09351	0.2
93.07030	0.3
103.88984	0.2
107.08525	0.2
109.06418	0.3
109.89812	0.2
112.07568	44.9
121.93346	0.2
129.03067	0.5
130.08592	12.1
130.96274	0.5
131.96262	0.2
136.07573	0.3
140.07021	4.8
140.56255	0.2
141.70238	0.2
148.36444	0.2
148.58791	0.2
148.97263	1.4
149.93982	0.2
149.97125	0.4
168.46165	0.2
171.98918	0.3
172.09612	2.7
172.15273	0.3
172.16821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1219
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.00287	2.5
53.03921	1.8
55.01855	3.0
55.05483	12.0
56.96536	2.7
57.03416	2.0
57.07044	4.1
57.92244	1.7
58.94717	1.6
59.04969	3.4
65.03922	3.2
67.05188	1.8
67.05486	25.7
68.99767	4.4
69.03394	4.1
69.07045	9.4
71.04960	30.6
75.18954	1.7
79.05469	30.3
81.03381	10.0
81.07029	78.6
83.04975	3.4
83.08568	1.8
85.06508	4.2
85.77605	2.1
91.05457	21.2
93.06994	16.1
95.04932	10.4
95.08571	16.1
97.02863	11.2
97.06476	2.3
98.03632	4.3
99.04411	3.2
99.08063	4.3
105.07005	33.8
107.08570	18.5
109.02854	10.2
109.06480	10.7
109.10123	18.8
111.00771	36.8
111.08070	35.0
111.28459	2.0
123.08020	3.4
123.11665	40.9
126.03101	47.1
133.10068	10.0
139.11066	2.3
141.05426	100.0
151.11116	14.7
169.04909	43.7
169.12192	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	170.0809
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03916	0.5
54.80859	0.4
55.05502	0.5
56.96551	6.9
57.03412	0.6
61.02899	0.9
66.03436	0.5
69.03400	1.6
69.78573	0.4
77.00739	1.3
79.05477	1.9
79.86413	0.3
81.03379	0.7
81.05769	0.6
83.04956	0.3
83.97623	0.3
85.02862	1.8
86.52663	0.7
92.01255	0.5
93.74914	0.3
95.04922	0.5
95.53207	0.4
96.08092	2.1
97.02859	1.5
98.01249	0.3
98.97543	0.9
99.04396	0.7
100.02460	0.8
103.02480	0.3
103.53316	0.4
103.95315	0.4
106.06538	2.6
106.77556	0.3
107.03584	0.5
110.97535	0.6
114.05482	4.2
114.99525	0.3
115.00660	0.4
116.98570	0.5
118.03499	1.6
119.01832	0.7
123.06753	1.6
124.07544	7.9
128.02245	0.4
128.98570	0.9
129.03009	1.6
132.97823	0.4
133.01662	0.5
133.03424	0.5
134.05968	95.5
134.99611	0.4
135.06316	0.4
141.96918	0.8
142.04967	3.0
146.99561	0.4
147.03226	0.7
147.05075	0.4
152.07019	100.0
159.03238	0.7
163.43030	0.3
170.05037	0.4
170.08063	15.6
177.04277	1.7
186.99059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1219
Annotation	cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid
Peak:m/z	Relative Intensity
51.93419	1.1
53.60367	1.0
54.80689	1.1
55.05500	11.1
57.03411	2.9
57.07047	2.2
59.04980	1.3
62.95924	1.0
67.05150	1.9
67.05480	32.0
69.07044	10.8
71.04954	6.4
79.05448	8.4
79.37693	1.4
81.07027	63.5
91.05441	1.7
93.07009	11.1
95.04929	1.7
95.08572	100.0
98.68618	1.2
99.04418	2.4
107.08527	2.1
109.10128	14.3
113.05958	2.5
113.09635	1.5
119.04901	1.2
123.11662	36.8
128.88028	1.2
133.10081	2.2
141.05377	1.7
151.11082	2.2
169.04893	1.5
169.09503	1.3
169.12230	1.3
175.40433	1.1
176.76436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1219
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
51.78120	1.3
53.03920	2.8
54.80930	1.6
55.05505	5.8
57.03415	2.6
59.04689	2.8
59.04978	65.5
62.18858	1.4
65.03895	1.9
67.05477	9.5
69.03432	1.8
69.07030	3.0
71.01319	1.4
71.04954	11.2
79.05453	18.2
79.73646	1.3
81.07024	100.0
85.02888	1.5
85.06513	3.0
87.04431	12.6
91.05439	10.9
92.08710	2.0
93.07003	51.7
95.04916	3.8
95.08562	10.4
105.06984	38.5
107.08550	6.4
109.02808	1.6
109.06493	14.1
109.10121	9.7
111.08002	2.5
121.10104	10.0
123.08007	3.2
123.11662	12.2
126.03129	3.1
133.10086	9.0
141.05428	3.9
151.11128	19.6
169.04895	2.3
169.12177	6.3
185.43674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.049
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03946	0.4
55.01849	0.5
56.70442	0.3
65.57216	0.4
68.99761	4.4
69.63425	0.4
92.09470	0.6
97.02864	0.8
98.03659	4.4
109.02842	1.7
111.00766	36.0
126.03089	39.7
141.05418	100.0
148.01582	0.5
169.04897	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	169.0491
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
68.99765	4.0
70.79188	0.5
81.03408	0.5
91.34858	0.5
92.08688	1.6
95.30662	0.5
97.02867	0.5
98.03655	4.6
98.90405	0.5
104.41330	0.5
109.02845	1.2
111.00768	35.5
113.53918	0.5
115.16730	0.5
126.03091	45.3
141.05423	100.0
169.04900	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	167.1427
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.94902	1.9
53.03921	2.7
55.05490	22.9
57.07058	2.2
67.05479	42.3
69.07049	20.7
71.04971	40.2
73.06530	13.7
73.13854	2.2
75.11403	1.9
77.34042	2.2
78.04686	5.0
79.05479	21.6
81.07025	50.8
83.08582	5.0
84.96001	3.4
91.05442	10.8
93.07015	46.5
95.08574	100.0
105.07008	9.3
107.08561	48.7
109.10116	19.5
111.08068	4.5
121.01630	3.1
121.10085	24.8
122.03355	2.4
123.04384	4.3
123.11686	4.6
135.77441	2.2
144.03258	2.5
149.13170	28.3
167.06972	18.0
167.14256	13.3
171.59566	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1426
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
55.05496	100.0
57.03394	3.1
57.15174	3.0
57.19186	2.8
59.04951	6.3
59.76317	3.1
67.05469	19.6
69.03392	26.1
69.07033	5.6
71.04986	3.8
79.05453	24.4
81.07017	22.3
83.04951	65.0
83.08582	43.3
83.57705	3.5
84.95998	4.3
85.06505	5.0
91.05447	15.5
93.07008	36.5
95.04910	4.6
95.08576	15.9
97.10134	6.1
100.62594	4.2
103.05441	19.3
105.06983	8.6
107.04919	6.1
107.08559	32.0
109.06428	7.2
109.10132	18.0
111.08025	17.7
112.08833	4.5
121.01634	22.6
121.06458	17.5
121.10086	27.8
123.11626	5.4
125.09578	8.1
130.47662	3.6
134.54892	4.6
139.02635	6.3
144.03224	6.1
162.04169	4.2
167.06967	16.3
167.10603	5.9
167.14279	39.5
175.61894	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	167.1427
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03916	5.2
54.81170	3.6
55.05494	100.0
59.04977	7.7
65.92361	3.4
67.05476	24.9
69.03416	27.1
69.07040	16.1
78.04678	8.3
79.05446	37.5
81.07040	31.7
83.04947	80.8
83.08580	34.4
84.95998	6.1
85.06479	4.8
91.05434	22.9
93.06991	44.6
95.04903	4.6
95.08589	17.0
97.06486	4.9
97.10130	19.1
101.12646	4.0
105.07000	8.7
107.04914	7.8
107.08575	46.6
109.06499	8.6
109.10116	16.3
111.08038	40.0
112.08878	5.7
121.01638	22.6
121.06475	6.5
121.10099	57.4
123.04386	24.8
123.08031	30.4
123.11708	4.7
124.05134	6.1
125.09600	15.1
144.03152	4.4
149.09590	8.6
167.06979	83.4
167.10608	15.0
167.14246	47.2
185.42792	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	167.1064
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.01452	0.4
51.57832	0.4
53.00283	0.5
53.03924	2.1
54.02372	0.4
54.81100	0.7
55.01856	0.6
55.05501	4.0
56.14410	0.4
56.60899	0.4
57.03414	3.2
57.07051	0.6
67.05484	4.7
67.62595	0.4
69.03426	0.5
69.07052	4.0
70.31341	0.5
71.04981	4.2
73.06529	1.9
75.04446	5.7
76.89787	0.5
79.05465	9.0
81.07026	11.5
83.04915	0.5
83.08607	2.3
84.96015	2.4
91.05450	14.3
93.07012	100.0
95.04949	6.2
95.08567	12.9
97.06489	1.0
105.07000	6.2
107.08561	7.5
107.17265	0.5
109.06526	0.7
109.10146	2.4
111.08051	13.6
119.08542	0.9
121.01642	3.0
121.10107	44.0
123.04395	1.1
123.08038	2.6
123.11654	0.6
125.05972	0.7
131.08519	0.9
139.11134	2.4
144.03242	0.7
149.09544	3.8
149.13243	3.2
167.06970	6.0
167.10649	4.6
167.14330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	2.7
54.00687	1.4
54.81493	1.6
55.05495	20.5
57.07056	2.9
57.91790	1.8
59.04963	3.9
63.78019	1.8
64.96603	1.8
67.05483	34.7
69.07036	23.7
71.04971	38.1
73.06508	12.3
78.04664	3.1
79.05462	22.8
81.07024	58.6
83.08577	9.8
84.95992	3.4
91.05441	10.1
92.08712	2.4
93.06999	43.9
95.04922	2.3
95.08572	100.0
99.82173	1.7
105.06982	3.3
106.04150	2.0
107.08558	42.3
109.10123	24.9
121.01598	4.4
121.10107	27.7
123.04363	11.0
123.11617	2.7
134.40787	1.8
139.02654	1.7
144.03261	3.0
149.13225	25.3
167.06973	21.1
167.14265	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	167.1063
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.43708	0.5
53.03919	2.6
54.80581	0.8
55.01846	0.7
55.05489	2.8
57.03413	3.5
57.07047	1.0
59.04970	0.9
67.05477	2.9
69.03359	0.7
69.07019	1.0
75.04449	5.9
78.04677	6.3
79.05456	15.1
81.07021	14.6
84.96008	0.8
85.06528	0.6
91.05440	16.3
92.08714	0.8
93.07008	100.0
95.04922	7.6
95.08563	7.5
97.06477	2.5
103.05423	1.1
105.04527	0.9
105.07000	14.1
106.04130	3.1
107.04889	1.1
107.08549	6.5
111.08044	18.2
119.08546	1.4
121.01659	1.2
121.06539	0.8
121.10098	81.0
123.04380	12.5
123.08022	3.4
123.11652	4.0
124.05145	4.4
125.05924	2.6
133.07552	0.7
134.03627	0.6
137.05920	0.7
139.11131	9.3
144.03203	0.8
149.09520	6.3
151.03838	2.3
152.04611	1.0
167.06975	35.7
167.10625	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	167.07
Annotation	6100-74-9
Peak:m/z	Relative Intensity
53.94787	0.5
55.05481	1.0
56.96537	0.9
60.22375	0.6
65.03873	0.7
67.05452	1.1
69.07018	0.9
72.89769	0.7
77.75307	0.6
78.04266	0.9
78.04686	16.2
79.05468	8.5
81.07021	3.5
84.95998	5.9
91.05437	1.0
93.06995	5.9
94.04167	1.6
95.04945	7.7
95.08570	1.8
95.13132	0.7
105.03349	1.1
105.07015	1.0
106.04124	7.6
107.04927	3.7
107.08533	3.2
109.02828	1.4
109.06470	0.8
120.02044	0.7
121.01627	5.6
121.10098	4.7
122.03597	1.8
123.04395	38.8
123.05304	1.4
124.05177	11.4
125.05981	1.0
134.03574	1.2
134.15640	0.8
137.05858	0.8
137.97821	0.7
138.03108	0.9
139.02750	1.0
144.03197	3.7
149.02289	1.7
151.03870	8.6
152.04599	6.7
162.04242	1.3
167.06981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1062
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03917	1.8
55.05486	1.5
57.03424	2.7
57.07065	0.3
59.32008	0.3
67.05473	0.8
69.03387	0.4
75.04436	5.8
79.05455	8.4
81.07024	5.4
87.04459	0.7
91.05448	13.0
92.08680	0.4
93.07005	100.0
94.07296	0.4
95.04919	4.7
95.08572	2.5
97.06472	0.8
105.04471	0.6
105.06976	8.2
105.26578	0.4
106.07778	0.6
107.08548	2.3
111.08051	15.1
114.35316	0.4
119.08533	0.9
121.06508	0.5
121.10099	50.3
123.08026	2.1
123.11713	0.8
123.74525	0.4
125.05917	0.5
131.08569	0.7
133.07562	0.7
139.11151	3.0
149.09549	3.7
167.10640	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	167.07
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03925	0.6
54.80897	0.8
59.08871	0.6
65.55037	0.6
65.76193	0.6
66.04702	0.6
66.83580	0.5
67.74207	0.6
78.04259	1.1
78.04680	20.4
79.05481	5.5
81.03393	0.7
81.07027	0.7
83.59442	0.6
84.96001	1.0
87.86229	0.5
91.05423	0.9
93.07005	1.3
94.04140	1.3
95.04920	3.6
96.05725	0.7
105.03356	2.9
105.04420	0.9
106.04149	11.4
107.04900	3.0
109.02863	0.9
115.92101	0.6
121.01587	0.8
122.03608	2.6
123.04384	35.7
124.05164	10.9
131.50307	0.6
134.03555	1.4
137.05920	0.7
138.03055	0.7
151.03859	7.6
152.04616	6.3
166.55937	0.7
167.06976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.59697	0.4
52.03133	0.4
55.01860	0.5
59.46583	0.5
66.04682	1.1
78.04681	20.2
79.05461	3.8
81.03378	0.6
91.05487	0.4
93.06976	0.6
94.04125	0.9
95.04929	3.9
96.05711	0.8
105.03320	0.8
105.07120	0.5
106.04128	8.8
107.04937	1.9
109.02837	1.1
121.01632	3.5
122.03612	2.2
123.04385	35.3
124.05175	9.2
134.03575	2.1
135.04366	0.7
137.02322	0.5
137.05939	0.8
138.03030	0.7
139.02655	0.8
144.03165	1.0
151.03848	8.0
152.04637	5.6
162.04198	0.5
167.06975	100.0
186.63092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03928	1.1
54.96098	0.5
55.01836	0.6
55.05494	1.1
56.33862	0.6
56.96526	0.8
66.04705	0.8
67.05462	3.0
69.03379	0.7
69.07034	0.9
78.04261	1.1
78.04678	19.4
79.05463	6.7
81.03374	1.5
81.07011	2.9
84.95998	4.3
91.05421	2.7
93.06998	6.3
94.04162	1.1
94.84215	0.6
95.04919	4.7
95.08566	3.3
96.05690	0.8
97.06474	0.8
100.48779	0.6
103.00603	0.7
105.03355	5.3
105.04465	0.7
106.04133	6.7
107.04267	0.7
107.04914	4.4
107.08543	3.8
109.02854	1.2
109.06477	0.6
109.10097	1.6
111.08000	0.7
117.00266	0.6
121.01635	7.1
121.10107	3.9
122.03584	2.6
123.04384	34.3
124.05161	10.1
134.03572	0.8
136.44336	0.6
137.02229	0.9
137.05952	0.7
138.03075	0.9
139.02650	3.0
144.03194	1.6
149.13205	1.3
151.03812	6.1
152.04642	5.7
152.05710	0.6
153.82535	0.6
161.86067	0.6
162.04199	1.4
167.06975	100.0
167.14249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0699
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
52.03154	0.7
53.84308	0.4
65.03915	0.5
66.04681	0.8
67.05476	0.8
77.03899	0.6
78.04678	19.4
79.05466	6.0
81.03366	0.8
81.07034	1.1
86.11896	0.5
91.05447	0.9
93.03345	0.9
93.06976	1.2
94.04140	1.1
95.04923	4.1
95.08582	0.7
96.05679	1.1
99.41756	0.5
105.03342	1.0
106.04133	9.2
107.04938	2.6
107.08560	0.9
109.02832	1.0
109.06503	0.6
109.88624	0.6
115.01661	0.5
121.10096	0.7
122.03590	2.9
122.95682	0.6
123.04385	32.9
124.05167	9.5
134.03595	2.6
137.05937	1.1
139.02669	0.6
144.03207	0.6
151.03862	8.1
152.04634	6.1
167.06973	100.0
182.52034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0699
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.55053	0.5
53.03923	1.2
57.51151	0.5
66.04698	0.9
67.05486	0.6
70.79340	0.5
78.04674	20.2
78.95943	0.5
79.05473	6.0
80.93318	0.5
81.03385	0.6
81.07007	2.8
83.04945	0.6
84.37683	0.6
84.95997	0.9
88.31168	0.6
91.05431	1.2
93.07021	2.3
94.04128	0.9
95.04921	3.5
95.08582	1.1
96.05712	1.3
102.20927	0.6
105.03349	1.2
106.04137	8.9
107.04899	2.3
107.08549	3.0
109.02818	0.9
109.10131	0.6
111.08040	0.8
112.27819	0.7
121.01614	0.9
121.10078	3.0
122.03596	3.0
123.04385	36.8
124.05171	9.5
134.03580	1.3
135.04425	1.0
137.02248	0.6
137.05893	0.8
149.13165	0.8
151.03839	7.5
152.04636	5.5
167.06973	100.0
168.04123	1.0
172.92148	0.7
186.65146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0699
Annotation	6100-74-9
Peak:m/z	Relative Intensity
51.61666	0.6
53.03923	0.9
55.05483	1.4
58.42011	0.6
59.04963	0.7
67.05476	1.6
69.07037	1.3
71.71873	0.6
78.04678	20.2
78.51867	0.6
79.05452	9.0
79.24559	0.7
81.07025	1.4
82.41954	0.6
83.04943	2.7
84.95997	0.9
85.02888	0.6
91.05430	3.8
93.07033	6.2
95.04920	4.6
97.06467	0.9
105.03359	1.1
105.06992	3.3
106.04134	8.3
107.04906	3.0
107.08551	4.5
109.02805	0.9
109.06474	2.7
115.58115	0.7
121.01635	7.6
121.02815	3.7
121.06454	1.4
121.10105	4.8
122.03541	1.3
123.04385	32.9
123.08016	1.3
124.05167	10.6
125.05970	0.7
125.09518	0.9
134.03540	2.5
137.02304	1.0
137.05937	1.0
139.02657	3.9
144.03087	1.0
149.02231	1.0
149.05927	1.0
149.09550	2.5
151.03830	6.5
152.04652	5.6
167.06976	100.0
167.10658	3.1
181.06097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0699
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.73613	0.3
51.60818	0.3
51.98503	0.3
52.76105	0.3
53.03924	0.8
55.01831	0.3
55.05480	0.6
62.75327	0.3
62.98916	0.3
64.32774	0.4
65.03913	0.3
66.04694	0.7
67.05464	1.3
69.03389	0.4
78.04681	17.9
79.05090	0.3
79.05463	4.1
81.03364	0.6
81.07023	2.1
91.05430	0.8
93.03361	0.6
93.06994	2.9
94.04140	0.7
95.04945	3.6
95.08527	0.5
96.05711	1.9
96.77419	0.4
97.06491	0.6
99.22552	0.4
101.84175	0.3
105.03341	1.5
105.04515	0.4
105.06995	0.7
106.04134	7.2
107.04913	2.0
107.08554	1.8
109.02863	1.6
109.06492	0.7
120.02082	0.4
121.01617	1.8
121.10105	2.6
122.03601	2.1
123.04385	30.3
123.08001	0.6
124.05168	9.4
134.03592	2.1
135.04372	0.5
137.02333	0.6
137.05923	1.6
138.03116	0.5
141.65619	0.3
144.03241	0.8
149.02278	0.6
149.09575	1.7
151.03865	7.0
152.04630	5.5
167.06978	100.0
168.04160	0.5
173.15843	0.4
187.25554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1271
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
55.01855	8.8
55.05500	33.2
56.96554	2.6
57.03422	30.0
57.07050	2.3
61.02905	13.5
64.73565	2.1
67.05489	18.7
67.72945	2.1
68.37669	1.9
69.03404	80.8
69.07056	9.8
70.57941	2.3
71.04964	9.0
73.02892	9.6
79.05469	24.0
81.03384	3.4
81.07022	56.3
83.04948	30.7
85.02867	31.1
87.04433	3.3
91.05451	34.3
91.70486	2.2
93.07019	29.9
95.04945	28.1
95.08562	42.8
99.04394	5.5
101.00829	19.8
103.03949	2.5
105.03350	10.9
105.07003	54.0
107.08563	67.3
109.02828	3.5
109.06494	21.6
109.10127	13.2
111.04408	14.0
117.87081	2.6
119.01884	100.0
119.04877	5.5
119.08543	35.1
121.10089	18.0
123.04321	2.4
123.08015	9.5
123.11666	10.8
124.05183	5.5
129.05423	3.4
133.02802	3.8
137.02905	44.3
137.05917	5.0
137.13326	2.5
142.03477	44.5
147.04355	17.9
147.06451	3.3
147.11632	45.1
160.04509	19.7
165.05347	2.2
165.10378	2.5
165.12700	59.8
167.20201	2.2
169.88884	2.2
175.03238	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1271
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03942	3.1
53.97147	0.7
55.01854	4.2
55.05492	6.0
55.38130	0.9
57.03420	8.7
61.02899	4.7
61.97353	0.8
67.05482	11.8
69.03407	26.9
69.07042	3.6
71.04967	2.1
71.45966	0.8
73.02898	1.6
79.05463	16.2
81.03380	4.0
81.07026	37.2
83.04958	11.7
85.02877	10.5
91.05448	17.0
93.07006	16.4
94.59044	0.9
95.04921	2.2
95.08558	8.5
97.06474	1.2
99.04404	1.9
100.02422	1.4
101.00860	15.3
101.02541	2.2
103.03902	1.2
105.06999	25.7
107.08573	9.4
109.06508	1.8
109.10123	3.5
111.04420	4.8
119.01879	100.0
119.04910	1.7
119.08522	19.1
121.10104	22.3
123.08040	1.9
123.11685	3.2
129.05505	1.7
137.02914	41.2
137.09615	1.3
142.02353	1.6
142.03464	48.5
147.04385	4.1
147.11649	36.0
149.73151	0.9
150.94673	0.9
160.04480	21.4
160.05702	1.0
165.12697	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	165.1271
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.87356	1.8
53.03926	3.9
55.01852	5.5
55.05495	19.5
57.03414	24.9
57.07065	2.0
61.02906	10.3
67.05470	29.3
69.03399	63.7
69.07040	9.3
71.04970	5.3
72.93857	1.8
73.02898	3.3
79.05455	35.8
81.03390	10.3
81.07018	34.3
83.04952	23.2
85.02872	23.6
91.05449	28.7
93.06987	15.6
95.04921	43.6
95.08560	22.3
99.04438	3.6
101.00849	14.0
104.91789	2.0
105.06982	34.4
107.04900	3.6
107.08550	44.4
108.54397	2.1
109.06475	23.9
109.10108	5.0
111.04440	10.4
118.03464	3.0
119.01874	100.0
119.04935	16.9
119.08529	30.1
121.10086	5.4
123.04410	4.4
123.08008	21.4
123.11664	25.6
124.02391	2.1
129.05460	5.5
133.06490	2.5
137.02921	38.6
137.05885	4.1
137.09573	4.8
137.13185	3.7
142.03462	51.9
147.04358	20.9
147.08017	13.1
147.11604	17.0
159.19760	2.5
160.04497	26.7
165.09081	9.4
165.12674	71.2
175.91458	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.80680	0.2
53.03931	0.3
55.01854	1.4
55.05494	2.5
57.03413	5.0
61.02903	2.6
65.03916	2.7
69.03405	14.5
71.04967	0.7
73.02879	1.3
81.03379	1.8
83.04950	4.9
83.37345	0.3
84.60738	0.3
85.02876	5.4
91.05444	34.2
95.04922	2.7
99.04402	1.2
100.02435	0.3
101.00840	4.5
103.03921	0.6
111.04408	1.6
119.01880	29.9
119.04898	64.6
123.04375	2.8
124.02441	0.3
129.05460	1.6
137.02911	11.2
142.03461	15.2
147.04364	100.0
160.04504	6.5
165.05362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.127
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
54.81025	0.5
55.01828	0.4
55.05493	6.5
57.03410	3.4
58.18074	0.4
59.02094	0.5
61.02893	1.9
67.05484	1.2
69.03404	13.3
69.07023	2.2
69.65673	0.4
71.04939	1.0
73.02869	0.8
79.05455	2.8
81.03371	3.1
81.07018	5.4
83.04942	5.5
83.08568	2.2
85.02865	3.6
91.03971	0.6
91.05422	1.9
91.64067	0.5
93.06995	1.1
95.04926	100.0
95.08566	4.1
99.04426	0.6
100.02412	0.8
101.00805	7.0
101.02523	0.9
103.03900	0.9
104.91388	0.6
105.06994	4.3
107.08566	7.4
109.06478	17.9
109.10114	0.7
111.04379	1.1
116.93403	0.5
119.01872	45.5
119.04874	1.1
119.08541	2.3
121.10040	1.7
124.02425	0.8
129.05440	1.0
137.02911	19.8
137.13165	0.7
142.03456	19.2
147.04361	0.8
147.06461	0.9
147.11633	6.7
160.04492	10.7
165.12683	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	163.1478
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03907	2.2
53.67525	1.9
55.05487	13.1
55.09186	1.5
57.07063	13.6
69.03407	3.6
69.06677	2.7
69.07043	62.2
71.19241	1.8
79.05452	20.6
81.07009	10.8
83.08576	8.4
85.02872	13.1
87.67077	1.9
89.03879	18.8
89.06001	3.6
91.05424	19.6
93.07010	35.1
95.04929	4.3
95.08578	8.2
96.59277	2.2
99.79698	1.8
103.05403	2.8
105.06998	19.0
105.56067	2.2
107.04965	2.4
107.08566	100.0
117.03331	27.5
118.28882	1.8
119.08551	12.0
121.10106	56.6
131.04961	3.2
132.08061	2.5
133.07585	1.8
135.04361	30.3
135.11636	23.9
144.73070	2.4
145.02769	8.5
163.03874	27.1
163.12424	2.8
163.14763	48.6
181.17149	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.11733	0.4
60.01167	0.4
65.03909	2.1
80.72550	0.5
91.05445	31.3
95.04897	0.8
99.57067	0.4
106.67130	0.4
119.01910	0.7
119.04900	63.9
123.04394	0.7
136.27267	0.4
147.04361	100.0
152.01140	0.5
165.05434	1.1
168.38144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0542
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.00284	0.2
53.03931	0.3
55.05484	0.5
57.03418	1.2
57.61923	0.2
61.02898	0.5
65.03900	1.9
67.05484	0.3
69.03404	3.3
71.04967	1.6
73.02872	0.4
79.05448	1.8
80.00087	0.2
81.03397	0.3
81.07023	0.9
83.04948	1.3
85.02867	1.1
91.05444	33.4
93.06985	0.9
95.04940	1.7
95.08587	0.3
99.04402	0.3
101.00848	1.2
103.05421	0.3
105.06997	0.6
106.65445	0.2
107.08533	0.5
111.04411	0.6
119.01927	3.8
119.04901	64.6
121.10046	0.3
123.04394	1.6
124.03130	0.3
129.05467	0.4
137.02884	1.1
142.03464	1.5
147.04364	100.0
147.11618	0.6
157.58986	0.2
160.04541	1.3
165.05385	1.3
165.12621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01871	3.6
55.05492	32.9
56.79903	2.6
57.06784	4.7
57.07054	100.0
60.17537	2.1
61.02908	2.7
67.47462	2.4
69.03394	15.9
74.53647	2.3
79.03407	2.3
79.05445	10.6
81.03414	2.6
81.07019	11.0
83.08566	3.4
85.02868	26.5
88.52515	2.4
89.03885	15.6
89.05999	49.5
91.05450	5.9
93.07004	14.3
95.04922	4.3
97.02847	3.5
97.41259	2.3
100.02418	4.0
101.09638	16.5
103.05421	63.2
105.06997	5.1
107.04928	15.0
107.07061	12.4
107.08541	13.2
117.03310	18.7
117.06950	3.3
119.08595	10.8
121.06412	4.8
121.10091	5.4
131.04886	51.4
132.08064	3.8
135.04350	20.2
135.07996	3.3
145.02802	4.7
145.10062	10.3
146.10745	2.5
163.03841	22.9
163.07491	16.8
163.11081	26.7
163.12247	2.7
163.14767	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	163.0748
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03923	2.9
55.01857	0.4
55.05499	0.7
57.07050	2.9
58.85715	0.4
61.02909	0.6
69.03394	2.4
69.07044	0.6
73.02852	0.6
79.05446	3.7
82.26973	0.5
85.02871	5.5
89.03889	6.9
89.05984	0.8
91.05421	2.7
92.02585	0.9
93.07014	1.1
93.20292	0.5
95.04929	8.6
97.02866	0.7
103.05426	100.0
105.03386	0.9
105.04468	1.2
105.06979	2.2
107.04917	2.5
107.08570	3.5
115.56361	0.5
117.03328	4.5
117.06969	1.2
121.06483	0.6
121.10108	0.8
122.09650	2.3
131.04878	81.7
132.08086	0.7
133.02815	6.3
135.04356	16.3
135.08038	0.8
145.02821	3.8
145.06429	3.4
163.03833	32.1
163.07477	11.4
163.11075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.075
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03899	0.7
55.01857	0.8
55.05478	4.6
57.07051	11.2
69.03387	1.1
69.07032	1.0
79.05447	5.8
81.07010	1.8
83.08576	0.9
84.61031	0.8
85.02865	1.5
89.03887	9.7
89.05989	6.1
89.41011	0.8
91.05426	1.1
93.06995	3.4
95.04939	3.0
95.08605	1.0
100.02390	0.8
102.78792	0.8
103.05430	99.1
104.05794	1.1
105.03290	0.8
105.07000	4.1
107.04919	5.9
107.07119	1.4
107.08565	5.9
115.27988	0.7
117.03332	6.8
118.03541	1.3
119.08530	1.5
121.06485	1.3
121.10107	1.9
122.09617	1.8
130.06451	1.4
131.04884	100.0
135.04359	12.3
135.07965	0.8
135.11630	1.5
145.02789	3.3
145.10147	3.0
148.08804	1.6
163.03835	16.1
163.07492	47.3
163.11124	27.7
163.12282	1.8
163.14764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	1.1
56.91041	0.8
63.72419	0.7
67.05465	1.3
67.39232	0.7
69.07050	1.1
73.72399	0.8
79.05460	3.7
81.07031	4.7
81.10742	0.8
84.08499	0.8
88.02197	1.4
91.05437	10.4
93.06998	1.9
95.04940	1.2
103.05434	2.1
105.03351	4.4
105.07003	35.2
114.36544	0.9
115.05449	1.8
117.07008	1.2
119.08542	100.0
120.97826	1.1
133.06462	4.8
133.10098	9.1
146.03592	1.3
152.77318	0.9
161.05865	6.4
161.09586	4.3
161.13208	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	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03930	1.5
54.00956	1.0
54.97272	1.2
57.84482	1.1
60.32005	1.1
63.02343	1.2
67.61214	1.0
70.99339	1.1
71.16563	1.0
79.05462	14.4
79.35784	1.4
89.03885	97.9
92.08660	2.8
95.04929	6.4
107.04939	15.9
107.16909	1.3
117.03339	77.0
117.04174	2.6
135.04367	100.0
145.02809	34.5
145.03938	1.9
163.03844	72.7
174.98207	1.1
177.93703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0594
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03921	1.5
55.01854	7.0
66.04693	3.4
77.03889	0.9
79.05463	24.5
83.98718	0.8
90.04672	6.1
91.05451	4.1
95.04935	4.3
103.05428	29.5
105.06996	100.0
115.05419	28.4
118.04121	24.5
131.04890	5.3
132.05614	1.1
133.05437	1.7
133.06450	51.3
143.04984	1.1
143.06035	4.6
161.05902	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	161.1321
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.32202	0.3
51.77902	0.4
54.80925	0.6
55.05272	0.5
55.05495	6.9
79.05479	1.7
89.36849	0.4
91.05444	7.4
96.55168	0.4
103.05410	0.8
104.06215	0.7
105.06998	11.2
107.08580	0.6
115.05399	0.5
117.06976	2.8
119.08537	100.0
121.10088	1.0
131.08487	0.9
133.10074	10.8
146.10800	0.4
161.05821	0.7
161.09572	0.6
161.13196	11.4
172.82483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.52853	0.3
79.05449	0.8
81.07003	1.6
82.29396	0.3
91.05447	7.3
93.07032	0.8
103.05435	0.3
104.06239	0.4
105.06989	15.8
115.05422	0.4
117.06989	2.1
119.08542	100.0
122.40094	0.4
127.96260	0.4
131.08525	0.8
132.09270	0.3
133.10068	4.7
161.05933	0.5
161.13208	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	156.0417
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
65.67902	1.7
73.87440	1.6
74.09678	12.9
74.54137	1.6
79.68745	1.8
82.74616	1.9
83.06028	2.9
109.98309	1.8
110.07138	26.3
112.05213	2.2
119.01827	1.7
130.06256	20.9
151.09048	1.7
155.80055	1.8
156.04156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0809
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
56.96546	1.5
61.90201	0.3
63.49464	0.2
63.96327	0.2
70.06564	100.0
98.97547	9.1
106.83520	0.2
112.07568	34.2
116.07051	17.6
116.98582	6.3
134.99619	3.6
140.07016	1.9
153.00705	0.4
158.08083	3.2
168.18393	0.2
169.61620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15038	0.3
53.89441	0.2
56.96527	0.4
59.33093	0.2
63.01886	0.3
64.93138	0.3
68.84240	0.3
73.19803	0.3
82.99792	0.6
98.97522	1.6
98.98117	0.4
100.97167	0.6
101.00840	18.2
102.00938	2.0
111.04427	0.6
113.94067	0.3
116.05750	1.2
116.98589	0.6
119.01877	100.0
120.01978	7.0
134.97910	0.4
134.99635	0.5
137.02908	40.3
138.03052	2.1
138.49826	0.8
142.03479	2.1
143.03590	4.6
143.98373	0.3
149.00786	0.4
149.50894	0.4
160.04517	0.7
161.02950	2.9
161.04590	3.0
179.03961	6.9
179.05457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1428
Annotation	trans-p-Menth-8-en-7-ol
Peak:m/z	Relative Intensity
53.03930	0.9
54.81472	0.6
55.05243	1.0
55.05493	23.4
56.77285	0.5
57.03419	0.8
57.07057	17.2
59.04976	0.8
60.09318	0.5
67.05481	22.3
69.07040	36.0
70.33700	0.5
70.95835	1.1
71.04971	2.4
71.08208	0.7
71.08598	1.2
72.93758	6.7
73.06522	3.6
74.83332	0.6
77.37787	0.6
78.08517	0.7
79.05463	8.1
81.07024	100.0
83.04972	0.8
83.08596	3.6
85.06529	8.8
88.55840	0.6
90.94798	0.8
93.06985	4.0
95.04909	1.1
95.08568	88.2
97.10126	2.7
100.69947	0.6
109.10113	4.8
111.11674	9.3
113.96377	1.3
116.25926	0.6
131.97372	1.3
132.95821	1.0
137.13214	22.3
150.96858	1.4
155.14293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1427
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
50.52872	0.2
52.64632	0.3
53.00283	0.5
53.03931	0.7
55.05497	19.6
55.67983	0.3
57.03414	0.7
57.07059	20.4
59.04983	0.8
63.80728	0.3
67.05117	0.5
67.05479	20.7
69.07042	33.7
71.04961	0.7
71.08606	2.2
72.93765	3.1
73.06168	0.3
73.06534	3.2
79.05468	8.3
81.07026	100.0
83.08593	4.1
85.06508	8.5
85.10122	0.5
91.26756	0.3
93.07001	3.3
95.08571	96.1
97.10133	2.3
109.10117	3.5
111.11697	8.5
113.96397	0.4
131.97401	0.7
137.13211	25.7
150.96834	1.4
155.14256	2.4
166.11440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1064
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
55.01851	5.7
55.05499	7.6
55.41050	1.8
56.96532	2.0
57.07061	2.6
61.02889	5.6
63.77876	1.9
65.03900	1.9
65.74100	2.3
67.05484	45.8
69.03384	4.1
69.07046	21.7
71.04974	19.4
72.93763	31.8
75.05121	2.8
76.55785	2.5
77.30685	2.4
77.49053	2.1
79.05466	25.7
81.03380	4.6
81.07033	17.9
83.04922	3.7
85.06496	5.3
90.94790	4.8
91.05437	5.5
93.06994	25.1
95.04899	16.5
95.08563	19.7
97.06493	100.0
107.08549	10.2
109.06470	3.4
109.10130	38.0
111.08007	2.7
113.05909	3.0
113.96384	15.9
119.08548	4.8
131.97374	13.2
137.09578	14.6
155.06992	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	155.1427
Annotation	Yomogi alcohol A
Peak:m/z	Relative Intensity
55.05239	0.9
55.05493	18.4
57.03411	0.9
57.06784	0.9
57.07055	19.0
59.04977	0.9
67.05119	0.6
67.05482	19.6
69.07043	33.9
71.04964	1.9
71.08603	2.3
73.06540	3.4
79.05457	7.2
81.07024	100.0
83.08589	3.3
85.06508	10.8
92.09299	1.0
93.07015	2.9
94.54404	0.4
95.08569	91.8
97.10143	2.5
101.14079	0.4
109.10118	3.8
111.11683	7.6
113.96406	0.5
131.97543	0.6
137.13213	25.5
137.92331	0.5
155.14291	2.2
164.04559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01852	3.4
55.05486	8.3
57.03407	3.2
57.81815	1.7
61.02891	8.8
67.05482	48.2
69.03387	1.8
69.07035	23.7
70.95828	3.0
71.04961	29.1
72.93754	54.4
79.05463	20.7
81.03371	9.0
81.07026	19.8
83.04947	3.4
85.06524	3.7
90.94794	14.7
91.05441	10.2
93.07005	28.6
95.04939	17.6
95.08565	20.4
97.06493	100.0
105.06987	1.6
107.08594	2.3
109.06478	2.9
109.10123	35.5
111.08041	4.1
113.96384	23.8
119.08500	2.5
120.26241	1.8
122.07255	2.2
124.07853	1.8
131.97374	23.8
132.95851	3.3
137.09566	18.1
150.96812	13.4
155.06979	8.7
155.10577	2.1
173.92546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93830	0.3
55.05485	0.2
56.96550	2.0
56.96789	0.2
58.99848	0.2
69.00249	0.2
69.96146	9.9
69.96526	0.4
71.94077	4.0
72.93758	1.5
77.00881	0.2
77.50929	0.3
78.00745	0.4
79.51157	0.3
80.01163	0.7
80.51011	0.8
82.01388	0.2
83.08611	0.2
84.96014	0.2
87.97195	0.8
88.51208	0.2
88.51658	10.6
89.01702	16.0
89.51524	19.0
89.95103	0.3
90.01568	3.0
90.94783	0.7
93.84887	0.1
96.50547	0.2
97.52181	0.8
98.02213	2.3
98.52033	3.3
98.97574	0.3
100.02441	3.0
100.52474	3.8
101.00851	0.8
101.02309	5.3
101.52376	0.7
101.97850	0.2
102.47759	0.3
102.96866	0.2
103.00607	0.7
108.48171	0.2
108.97972	0.3
110.98653	0.2
111.01193	0.1
111.48287	0.3
113.01034	0.6
113.95059	0.3
113.96354	0.7
116.98621	0.6
117.48693	0.9
117.98500	1.9
118.03452	0.3
118.48586	0.2
119.01878	5.9
119.48903	0.3
119.98947	1.5
120.01959	1.9
120.48721	2.4
120.97865	0.3
121.01621	5.4
121.02280	0.2
122.98973	0.4
125.99174	4.0
126.49213	7.9
126.99045	11.9
127.49042	1.9
128.49446	2.5
128.97896	0.2
128.99478	8.5
129.49290	12.6
129.99339	2.3
130.99701	0.7
131.01888	0.3
131.49712	1.6
131.52525	2.0
131.96098	15.3
131.97299	0.8
131.99490	1.2
132.02609	0.3
133.03392	0.3
133.98026	0.8
134.99586	0.4
135.99593	0.4
137.02902	3.3
137.49962	23.2
138.00011	66.1
138.49834	100.0
138.99867	16.6
139.02592	2.9
139.50027	1.3
140.00230	1.4
140.50276	7.2
140.53062	0.2
141.00082	10.6
141.50171	2.7
141.96906	0.2
142.03444	5.0
142.98561	0.3
143.03537	2.2
144.03191	4.7
145.50618	0.3
146.50475	0.6
147.00543	1.6
147.50334	2.8
149.00758	10.0
149.48344	0.2
149.50810	38.6
149.97157	42.0
150.00633	57.8
150.50674	12.0
150.96799	0.3
151.00768	0.2
152.01062	0.4
152.50842	0.8
152.98766	0.6
154.90654	0.6
154.94064	0.8
154.97662	0.6
155.06975	0.3
156.51601	0.6
157.01411	0.7
158.51364	0.3
159.01132	0.3
160.04492	2.1
160.51567	0.3
161.01588	1.8
161.04593	0.4
161.51447	1.6
161.99303	0.7
162.01459	0.3
162.04207	2.3
167.96742	0.3
167.98192	7.1
172.95213	1.3
172.98738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.86791	1.7
54.81186	2.1
55.05493	17.8
57.07048	9.5
59.04969	10.1
67.05473	9.3
69.07044	25.2
69.21721	1.8
70.22437	2.1
71.04627	2.7
71.04967	49.3
73.06527	27.8
79.05463	22.5
81.06555	3.3
81.07026	100.0
87.77087	2.3
91.05434	10.9
93.07016	38.6
95.04908	2.6
95.08562	9.5
97.06483	12.1
105.06966	3.3
107.08567	38.5
108.10736	2.2
109.10164	18.6
135.11670	39.9
153.12717	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.45686	2.9
53.00284	3.2
53.03924	3.7
55.01865	2.8
55.05503	24.3
56.96529	3.4
59.04974	5.0
65.03926	4.4
66.58527	2.6
67.05480	7.6
69.03392	4.2
69.06744	2.6
69.07052	36.3
70.94240	4.2
70.95818	2.8
71.04971	55.8
73.06526	23.9
79.05476	28.6
81.07030	100.0
89.00221	7.4
91.05448	15.2
93.07009	52.5
95.04950	7.4
95.08566	13.3
97.00903	3.8
97.06506	5.7
98.00732	7.6
105.07044	4.2
107.08562	56.0
109.10133	15.5
111.04389	4.3
111.96763	3.3
121.06499	5.5
125.05933	4.3
135.11641	37.9
138.06633	3.9
146.29037	3.0
148.97313	3.1
153.05389	5.8
153.09091	4.5
153.12685	30.9
158.00980	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	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.45797	2.2
53.00274	2.5
55.05485	15.6
56.53990	2.2
59.04980	3.1
67.05483	3.7
69.07044	3.7
71.04965	43.2
73.06524	20.2
79.05474	23.3
81.07024	100.0
82.01477	2.4
84.54305	2.3
91.05443	4.3
92.09418	3.1
93.07016	36.7
95.08591	4.8
105.07054	2.8
107.08558	30.1
109.10114	4.9
111.08118	2.4
135.11653	28.6
153.12663	10.2
154.40587	2.4
165.48044	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	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	2.0
53.03920	1.9
55.05500	14.0
58.53497	0.9
59.04972	6.8
59.23998	1.0
61.75965	1.0
67.05456	4.3
69.07035	9.3
70.94228	0.9
71.04964	47.0
73.06522	25.0
79.05076	1.4
79.05466	23.4
81.07027	100.0
82.52599	1.1
90.88087	1.1
91.05460	8.8
93.07007	34.0
95.04919	1.2
95.08554	5.7
97.06467	5.7
105.06980	1.6
107.07882	1.7
107.08557	30.8
109.10120	5.5
135.11649	30.1
135.62480	0.9
153.12715	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	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.11248	0.9
53.00293	3.0
53.03928	2.1
54.81097	1.1
55.01841	1.5
55.05243	1.2
55.05491	19.4
59.04969	6.9
59.94334	0.9
61.97449	1.2
63.72177	1.0
65.03920	1.5
65.47167	1.2
67.05470	7.9
69.03385	2.0
69.07033	14.0
70.94224	4.9
71.04961	49.4
73.06520	22.5
79.05459	30.8
81.07023	100.0
82.07336	1.1
83.04943	2.4
83.08565	1.5
91.05437	9.6
93.07004	37.2
95.04924	11.4
95.08562	7.3
97.06459	7.3
105.07014	1.6
105.13746	1.2
107.04919	11.8
107.08559	42.8
109.10107	10.0
110.03577	1.1
111.04394	1.5
111.08062	4.5
119.08532	1.9
130.96313	1.4
135.06763	1.2
135.08009	1.4
135.11646	31.1
137.02388	1.5
138.02977	1.4
148.97325	2.3
153.01787	6.6
153.05412	8.1
153.09019	1.9
153.12689	21.5
153.74420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.88176	1.1
53.03926	2.0
55.05495	16.6
57.07070	1.7
59.04981	7.0
67.05486	3.2
67.42108	1.2
69.07038	8.3
71.04969	46.1
71.05579	1.4
73.06535	22.8
79.05470	20.6
81.06552	3.4
81.07032	100.0
91.05455	9.6
93.07017	37.3
95.04960	2.9
95.08570	8.5
97.06503	2.9
107.08569	36.3
109.10131	5.8
111.08003	2.4
118.18523	1.4
135.11650	33.0
139.78555	1.5
153.12720	19.9
164.55989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00289	2.3
53.03928	1.6
53.58891	1.6
54.04005	1.1
54.81432	1.3
55.05498	20.2
57.07055	2.5
58.03881	1.1
59.04977	7.0
62.53317	1.0
65.22161	1.1
67.05471	7.3
69.07051	18.0
71.04967	44.6
73.06522	20.5
79.05460	24.7
81.07027	100.0
83.04938	1.4
83.08603	7.9
85.58229	1.2
91.05442	6.9
93.07006	38.1
95.04917	2.9
95.08576	13.6
97.06499	13.0
105.06981	1.5
107.04980	1.7
107.08564	37.4
109.06495	1.6
109.10118	11.6
111.08056	5.3
119.08580	1.6
135.08029	1.4
135.11652	34.3
135.76987	1.3
153.12712	24.0
163.08458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	1.0
53.40874	0.6
55.05495	6.0
57.07056	1.2
64.82474	0.5
66.04742	0.5
67.05479	12.3
69.07043	8.5
69.38726	0.5
71.04945	0.6
75.91703	0.6
79.05457	9.5
79.25101	0.6
79.70201	0.6
80.24734	0.6
81.07022	17.4
83.04951	3.9
83.08581	1.4
91.05437	11.4
92.08600	1.5
93.07005	73.5
95.04929	3.7
95.08568	57.4
97.06471	6.9
105.06995	2.8
107.08556	100.0
109.06477	2.7
109.10120	11.8
135.11639	39.3
153.12685	16.4
153.13809	1.0
163.23062	0.8
164.09186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0544
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
53.03925	1.1
55.01844	0.6
56.96547	1.2
57.03418	1.1
62.63878	0.5
65.03912	0.6
68.96311	0.7
69.03394	1.1
69.07020	0.6
70.94218	0.6
70.95833	0.5
71.04964	1.1
77.03912	0.6
79.05080	0.5
79.05457	5.3
81.03363	0.6
81.07014	1.0
83.04959	1.0
93.07021	1.2
95.04926	7.6
95.08561	0.5
98.97558	3.5
107.04924	100.0
107.08551	0.9
111.04417	2.4
116.98565	5.1
125.05938	1.2
130.96300	0.7
134.99611	4.1
135.04367	30.3
135.05403	1.0
135.11652	0.8
148.97324	4.0
153.00645	1.0
153.05420	3.5
153.12700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0543
Annotation	Methyl salicylate
Peak:m/z	Relative Intensity
55.64642	0.2
63.41859	0.2
65.03612	0.3
65.03918	4.7
73.07172	0.1
80.61390	0.2
81.07037	0.2
90.10945	0.2
92.08753	0.4
93.03371	2.5
95.04935	0.4
96.96753	0.2
97.75488	0.2
98.03663	0.2
111.04422	1.8
111.28344	0.2
120.75190	0.2
121.02827	100.0
122.03168	0.4
127.69612	0.2
132.59088	0.2
153.05423	6.8
163.26785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0543
Annotation	(R)-Mandelate
Peak:m/z	Relative Intensity
52.91724	0.3
53.03919	0.7
55.01847	0.5
55.05488	0.5
56.96540	1.4
57.03404	0.9
62.20434	0.3
64.40163	0.3
68.96297	0.8
69.03398	2.3
69.07069	0.3
70.94225	0.7
70.95843	0.5
71.01313	0.3
79.05470	3.5
81.07043	0.6
82.58434	0.3
83.04932	0.4
87.46070	0.3
88.96860	0.5
91.05440	0.6
93.06978	1.5
95.04926	7.5
97.06455	0.6
98.97566	2.7
107.04918	100.0
107.08559	1.5
109.33531	0.4
109.98888	0.4
111.04408	1.8
111.08040	0.7
111.96866	0.5
116.98585	2.5
123.04465	0.4
125.05931	0.5
127.99948	0.5
130.96263	0.4
134.99594	3.0
135.04366	33.3
135.07922	0.4
146.36131	0.4
148.97284	2.8
153.00716	0.6
153.05397	3.7
153.09064	0.5
161.70020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1114
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03925	3.7
55.05494	11.0
56.96540	3.6
57.03415	26.2
59.04979	3.1
62.05185	1.7
67.05477	31.7
69.03394	2.1
69.07052	2.1
71.04964	2.8
72.28642	1.8
72.93773	1.9
73.28429	1.7
79.05466	29.7
79.77342	1.8
81.07023	86.7
91.05442	75.3
93.07014	52.3
93.09714	1.9
95.04932	19.2
95.08579	31.8
102.12189	2.6
105.06995	91.9
107.08552	36.3
109.06488	13.1
109.10124	12.8
116.01254	4.5
116.48112	2.2
119.01820	2.1
119.04862	2.9
123.08027	3.6
123.11671	19.4
125.01746	27.1
125.51973	2.6
131.08507	3.7
133.04863	2.5
133.10072	100.0
134.02240	14.5
136.52495	7.9
150.96873	8.0
151.03867	2.9
151.07497	8.5
151.11130	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	151.1115
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03920	8.4
55.01854	4.7
55.05497	29.6
57.03413	4.2
59.04967	2.6
60.38549	1.8
65.03909	10.4
65.04226	1.9
67.05152	2.9
67.05482	43.2
69.03383	2.1
69.08289	1.9
71.01807	1.7
71.04960	4.4
78.54993	1.9
79.05153	1.7
79.05473	25.2
81.03376	2.9
81.07027	55.7
91.05450	47.2
93.07005	51.6
95.04932	27.0
95.08552	16.7
105.07006	59.1
107.07897	2.5
107.08570	51.7
108.02068	10.8
109.06457	17.9
109.10127	18.5
119.04897	2.8
121.10012	1.9
123.04391	12.6
123.08025	8.6
123.11682	13.3
133.02759	2.3
133.10101	42.7
141.05435	11.0
151.03854	100.0
151.04985	22.4
151.07478	6.8
151.11147	55.1
165.25668	1.7
166.40126	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0543
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
53.03926	4.7
55.05499	41.9
57.03414	4.9
62.17363	3.3
65.03907	6.3
67.05479	16.2
68.96268	4.9
69.03386	4.2
69.07042	99.2
70.94224	22.3
70.95818	15.7
76.55172	3.7
79.05464	17.9
81.07011	20.5
83.04951	17.4
91.05438	7.8
93.03317	6.0
93.07014	34.8
95.04928	30.2
95.08570	8.5
97.06486	6.1
107.08581	33.5
109.10122	18.5
110.03567	5.1
111.04417	18.9
125.05989	5.0
129.97855	6.3
135.11618	16.7
138.03069	8.8
148.97319	24.0
153.05428	100.0
153.06609	6.6
153.09050	4.9
153.12721	24.4
162.51695	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.7
56.23814	0.7
57.07054	1.6
62.71135	0.7
65.03909	3.1
69.07038	3.6
69.55038	0.7
79.05443	6.6
84.49966	0.7
88.92550	0.7
91.05434	9.2
93.07000	13.3
95.04929	1.0
103.05458	6.3
105.07004	25.5
106.07788	1.1
107.08559	30.6
109.06489	1.7
119.08552	9.4
120.09322	1.9
121.02828	4.2
121.06446	1.3
121.10098	100.0
123.08035	5.9
131.04884	6.9
131.08615	1.1
133.07544	3.1
133.10155	1.4
134.10857	1.1
134.76645	0.8
149.02287	6.7
149.05936	0.8
149.09567	5.4
149.13196	23.0
168.65263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0547
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03928	6.6
57.03412	1.1
65.02943	0.6
65.03908	3.3
67.05483	28.0
79.05441	2.6
87.46841	0.6
93.05743	0.8
94.06532	61.2
95.04927	1.6
96.04447	1.0
104.57680	0.7
105.06965	1.2
106.06519	15.7
115.03897	1.4
120.02535	0.6
122.05980	32.8
129.03435	0.7
132.06561	1.0
136.02061	0.8
146.82204	0.7
150.05458	100.0
152.88129	0.8
168.06491	13.5
168.07826	0.8
168.74641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0581
Annotation	Methionine
Peak:m/z	Relative Intensity
53.42002	1.0
55.01863	4.4
55.05481	1.3
56.05019	100.0
56.96547	10.5
57.03421	14.4
58.99822	1.0
59.04972	1.6
59.95380	1.0
60.04499	2.0
60.52048	1.1
61.01126	67.6
61.02891	6.2
68.02602	3.0
68.99737	1.7
69.03393	12.6
69.52554	1.3
70.03727	1.9
71.02959	5.3
71.52999	9.6
72.02842	9.6
73.02886	1.5
74.02393	7.8
74.06042	7.8
75.49812	1.2
78.52943	2.5
79.52802	5.9
80.03486	1.7
80.53532	2.9
81.03354	8.7
82.01405	1.4
83.00721	1.3
83.04993	1.8
84.01141	1.6
84.04470	7.8
85.02865	10.9
86.52666	2.5
87.02667	19.7
87.52523	9.6
87.53430	1.9
88.02617	1.5
88.03500	2.0
88.53290	4.5
90.01503	1.7
90.49673	1.1
92.01254	1.8
92.08707	1.2
95.01299	5.1
96.03236	5.2
96.53058	8.0
98.01278	2.2
98.97536	5.3
98.98428	4.4
100.02430	11.8
101.02515	13.6
102.02201	19.0
102.05511	19.1
103.02441	2.5
104.05286	67.0
104.07066	1.5
105.00025	2.0
105.03696	1.9
105.06985	6.8
107.01791	4.5
107.02448	2.2
107.05205	1.6
111.02027	1.9
111.04409	2.9
113.02330	6.5
116.05728	5.8
116.55878	1.5
116.98569	1.4
117.02087	1.5
118.03468	10.6
119.01855	9.3
119.03551	12.6
120.01944	2.9
120.03223	16.6
121.01607	4.8
121.03439	2.7
122.03124	1.4
122.08101	1.6
127.04155	1.7
129.03014	2.0
131.01854	4.7
132.06497	1.8
132.10225	1.5
133.01628	1.8
133.03140	46.5
133.05020	1.3
135.03186	2.5
142.03442	7.8
143.03685	1.6
144.03171	2.5
145.03415	4.8
150.02664	5.1
150.05717	6.5
150.07690	32.8
150.08917	1.6
160.04530	1.6
165.00668	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03934	3.1
55.05276	1.2
55.05498	18.7
57.07045	2.1
60.67633	1.2
65.03902	6.8
67.05473	5.7
69.07043	30.5
72.77800	1.3
74.47778	1.2
78.00791	1.5
79.05471	25.5
79.56561	1.1
81.05550	1.4
81.07026	20.9
91.05444	31.9
93.07005	92.3
95.04918	9.4
95.08586	7.2
103.05442	4.8
105.06990	21.3
105.30416	1.4
107.08562	100.0
108.27824	1.2
109.06470	2.2
111.04398	1.5
119.08528	5.8
119.97173	1.4
120.09431	1.4
121.02812	14.4
121.06483	2.9
121.09277	2.9
121.10098	48.7
123.08006	2.3
125.65334	1.4
131.04904	2.7
131.08551	2.0
149.02307	37.9
149.05920	5.8
149.09584	8.0
149.12035	2.4
149.13213	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	149.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00274	0.9
55.01848	0.8
55.05489	0.9
56.96543	1.1
57.03410	3.3
57.96580	0.6
59.04983	56.0
65.03924	11.6
67.93568	0.8
69.03378	1.1
71.01315	0.6
73.06529	100.0
73.35206	0.6
79.05446	2.9
81.07013	0.9
85.75162	0.6
88.24397	0.6
91.05445	5.7
91.69331	0.5
93.03368	2.6
93.07021	5.5
95.04922	2.9
103.05439	21.4
105.07003	3.8
107.04885	0.7
107.08557	3.8
109.06461	0.9
111.04413	1.2
121.02826	17.4
121.03938	2.7
121.06461	8.6
121.10062	4.6
131.04889	30.6
131.08530	1.5
149.02303	34.3
149.05939	10.0
149.09584	10.2
149.97701	2.8
168.09586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1322
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	0.9
55.05493	3.1
57.07045	1.4
57.91757	0.8
65.03909	3.1
69.07043	4.1
79.05465	9.6
81.07018	1.2
91.05451	7.3
92.08688	2.5
93.07008	13.8
95.04977	0.9
95.08531	1.1
99.96368	0.7
101.61713	0.9
103.05424	6.0
105.06995	22.7
107.08557	29.7
109.06487	1.3
119.08540	7.2
119.54029	0.8
120.09350	1.5
121.02849	3.3
121.10098	100.0
123.08040	5.3
131.04887	4.8
131.08565	1.2
133.07541	1.8
133.10065	1.9
147.52289	0.8
149.02283	10.7
149.05977	1.0
149.09526	5.4
149.13210	21.7
167.79185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03920	0.9
55.01851	1.3
55.05485	0.9
64.32629	0.8
65.03904	5.0
69.03396	1.5
79.05463	11.0
91.05440	15.0
91.05958	1.2
93.03320	1.1
93.07008	30.1
95.04937	5.2
103.05430	4.1
105.07005	18.3
106.07793	1.4
107.04910	1.5
107.08575	7.2
109.06484	1.0
110.99186	0.8
116.06208	1.5
119.08538	1.9
121.02831	6.8
121.03898	0.7
121.06481	9.7
121.10098	22.8
123.08030	3.2
125.14299	0.9
131.08543	4.4
149.02298	18.1
149.05891	3.2
149.09573	100.0
149.13155	1.8
163.78638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.82508	0.6
51.69343	0.5
53.03928	1.4
55.01848	1.3
55.05481	0.8
60.72894	0.6
65.03912	3.6
68.16801	0.6
69.03391	3.7
76.55196	0.6
78.04688	0.9
79.05454	9.0
81.07030	1.1
89.03889	3.5
90.10953	0.6
91.05444	33.6
92.09344	1.4
93.07005	21.8
94.52501	0.6
94.82833	0.6
95.04919	4.0
103.05420	5.7
105.04436	1.0
105.07000	21.8
106.07788	2.6
106.08823	0.6
106.62141	0.7
107.04919	0.9
107.08562	5.0
109.06479	3.8
111.04431	0.7
115.05405	4.1
116.05434	1.0
116.06199	13.0
117.03338	3.4
119.08540	4.2
121.02823	3.0
121.06459	14.0
121.10094	31.1
122.41533	0.7
123.08014	3.5
129.06906	5.1
131.08517	18.6
133.07568	2.6
134.07216	1.2
147.07974	2.6
149.02293	9.4
149.05922	5.9
149.09569	100.0
149.13214	3.8
155.31418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02385	0.6
65.03917	6.8
68.71958	0.6
86.54128	0.7
91.05443	85.5
91.63734	0.6
92.08715	1.0
92.62575	0.8
97.00638	0.6
102.19467	0.6
119.04893	100.0
147.04358	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.79138	1.3
54.81599	1.6
55.05494	1.6
65.03918	7.1
69.03408	2.8
69.07056	7.1
91.05448	93.6
119.04903	100.0
140.63992	1.6
147.04359	66.5
147.05486	2.8
154.14967	1.7
167.28133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.01844	2.9
55.05486	1.1
57.03398	1.1
64.92764	0.6
65.03918	8.5
69.03407	15.4
71.04952	0.8
72.08109	1.6
78.44936	0.6
81.03392	1.2
83.04940	5.5
85.02869	4.4
87.04432	1.0
91.05447	81.8
111.04408	3.0
113.26228	0.8
119.04901	100.0
147.04369	67.7
147.06186	1.0
165.19254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.065
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
53.00302	0.4
53.03940	3.8
54.21783	0.3
54.80475	0.4
55.01859	9.0
55.05241	0.7
55.05498	16.5
55.72120	0.3
56.05024	0.7
56.96545	5.3
57.03420	18.1
59.04977	2.2
61.02903	10.8
65.03918	2.6
67.05495	0.5
68.99749	0.4
69.03404	100.0
71.01325	2.1
71.04964	11.4
73.02895	6.5
75.04454	1.6
77.00761	0.5
81.03385	9.7
82.01406	0.4
83.04948	30.7
84.04475	29.0
84.08105	5.5
84.20335	0.4
85.02876	32.2
85.51881	0.6
86.03127	0.4
86.25187	0.4
87.04438	10.6
89.00738	0.9
91.05447	9.0
92.01277	1.5
92.08835	0.4
93.03387	0.5
94.52400	10.7
94.53329	0.5
98.01260	2.0
98.97546	4.1
99.04420	8.3
100.02465	1.7
101.07101	0.5
102.05526	2.3
103.03920	2.7
103.52955	0.7
106.52435	0.6
107.01796	2.4
110.97489	0.5
111.02026	2.2
111.04410	14.8
115.52898	1.5
116.02299	0.4
116.98606	2.0
117.05456	1.5
118.03487	0.6
119.01816	0.6
119.04893	9.0
120.02524	2.9
124.53436	0.8
126.04005	0.5
129.03067	3.2
129.05429	5.6
130.04948	9.8
130.08591	1.7
136.90578	0.4
138.03571	0.7
144.05081	0.5
146.99652	0.6
147.04411	5.3
147.06445	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	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.15712	0.8
53.03919	1.3
54.81102	0.9
55.05507	11.5
55.48140	0.9
65.03905	1.1
67.05479	2.3
67.35699	0.9
69.03406	12.4
79.05469	4.4
83.04955	1.5
85.02871	2.2
88.35506	1.1
91.05449	24.6
93.07032	2.2
103.05461	1.6
105.07000	84.4
111.04377	2.1
117.06995	2.6
119.04891	7.5
119.08549	59.2
123.96414	1.7
131.08603	1.2
132.09273	1.8
139.12180	1.1
145.10098	6.7
147.04388	4.2
147.08002	7.2
147.11650	100.0
167.23830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0436
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.00268	1.9
53.03936	3.6
55.01845	6.5
55.05500	7.8
57.03421	7.9
57.28711	1.2
61.02911	5.4
64.92784	19.0
65.03924	6.3
69.03408	53.0
70.16941	1.6
71.04967	6.2
73.02878	1.7
81.03378	2.0
83.01309	2.8
83.04967	15.9
85.02876	18.1
87.04447	3.2
91.05451	93.7
99.04437	3.6
100.48718	1.8
105.06995	3.8
111.04421	8.0
119.04912	100.0
119.08575	2.6
123.96414	30.8
147.04381	68.7
147.05429	3.8
147.06467	2.4
147.09138	2.4
147.11644	2.5
148.24405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.122
Annotation	7-Octene-1,6-diol
Peak:m/z	Relative Intensity
51.08403	0.8
53.03931	1.1
55.01832	1.0
55.05503	8.1
57.03411	2.2
59.04967	1.4
61.02901	1.6
61.89353	0.9
65.83488	0.8
67.05477	29.3
69.03395	6.4
69.07041	22.0
71.04957	13.5
81.01429	1.1
81.03388	1.3
81.07028	8.5
83.08592	17.6
85.02882	7.8
89.03882	10.5
91.05458	6.7
97.02834	1.7
99.04416	4.3
103.05389	1.0
105.06993	29.8
107.08597	0.9
107.86250	0.9
109.10120	67.8
115.05394	3.9
117.03339	4.9
117.06987	14.0
121.96597	3.8
127.03880	1.6
127.11140	4.6
128.06219	3.0
128.14345	3.2
129.06960	5.0
130.07724	25.8
137.28920	0.9
143.08531	7.5
145.03847	0.9
145.04968	1.0
145.06430	1.4
145.10078	100.0
145.14163	1.4
146.10414	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0922
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
52.46410	0.5
53.03915	0.9
54.53882	0.5
55.01847	2.5
55.05489	4.3
56.05017	1.4
56.96292	1.0
56.96548	19.3
57.03425	7.4
57.17871	0.5
59.04958	1.0
60.05627	24.6
61.02905	4.7
65.03916	0.5
67.50999	0.5
67.54850	0.5
68.01310	0.6
68.99744	3.2
69.03403	30.5
69.66988	0.5
71.04949	0.8
72.02434	0.6
73.02874	1.4
74.97585	0.8
75.04475	0.6
76.51547	1.0
81.03374	3.7
83.00730	1.2
83.04951	7.8
83.06062	2.5
84.01521	1.0
84.04483	0.8
85.02875	11.9
86.06036	79.0
87.00792	1.0
87.04436	100.0
88.03950	9.5
91.05433	1.1
92.01253	3.4
97.02824	1.3
97.99150	1.0
98.97539	7.1
99.02013	1.0
99.04400	1.5
100.02424	1.1
100.07574	4.5
101.05949	1.0
102.14205	0.6
103.03893	0.7
104.07066	19.8
111.00184	0.9
111.04409	3.9
111.05532	12.1
116.00159	1.0
116.75554	0.6
116.98576	3.9
118.03402	0.6
119.01753	4.3
119.04821	2.5
120.00713	1.0
120.03323	0.7
128.02286	1.2
128.08144	11.8
128.10753	0.9
129.01759	0.8
129.05606	0.7
129.06522	5.2
134.99545	0.9
135.02998	1.0
143.00038	0.8
146.08173	4.8
146.09192	97.5
147.04399	1.1
162.99083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0493
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
52.03596	0.8
53.03935	9.9
55.01858	13.9
55.05482	5.0
56.96299	1.5
56.96550	28.2
57.03420	19.4
59.04981	0.8
61.02657	1.2
61.02909	19.2
62.92962	1.4
67.93532	1.2
69.03037	1.5
69.03405	42.0
70.35273	0.7
71.01324	0.9
71.04967	10.6
72.04462	1.3
72.08124	5.2
73.02879	1.9
74.97556	1.0
81.03388	19.4
83.01305	1.7
83.04955	0.9
83.08588	8.5
84.08121	3.5
85.02877	100.0
86.06046	1.2
87.79439	0.8
91.00514	1.6
97.02859	31.6
98.97545	2.2
99.04415	21.5
100.00989	1.5
100.07548	1.4
102.03358	1.1
103.03838	1.4
109.02834	9.6
111.00190	1.3
117.03345	1.2
120.00706	1.5
120.02530	1.2
121.01528	1.5
121.51662	1.1
121.96597	6.9
122.50978	1.3
127.03857	11.0
144.98079	1.4
145.04959	8.5
145.06760	1.5
162.99138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
56.96542	3.5
57.07024	2.3
60.95837	28.3
70.06551	4.5
75.94499	2.4
78.99734	5.8
83.08584	4.3
84.04491	4.1
84.95534	4.0
84.96008	68.0
88.02357	3.6
89.76582	2.4
97.00766	33.4
98.06017	14.3
99.38099	2.9
102.96853	43.7
103.00613	5.6
120.02040	2.7
120.97865	51.3
121.00740	21.9
121.01604	100.0
121.02412	5.5
121.96585	4.1
138.98906	63.7
139.01759	87.3
139.02679	62.6
143.07092	2.7
144.03206	32.8
144.05504	10.3
144.06479	4.1
144.08109	3.3
156.99957	16.3
162.04308	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	145.0494
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03931	9.6
55.01854	12.1
55.05494	4.7
56.96548	19.3
57.03420	15.8
58.61486	0.8
59.04967	1.0
61.02906	21.4
62.92968	1.8
69.03033	1.8
69.03407	47.1
69.45002	0.8
71.04970	6.5
72.08145	7.2
73.02871	1.2
81.03393	13.3
83.01313	1.7
83.08590	9.2
84.08121	0.9
85.02879	100.0
89.03895	2.1
91.00465	1.0
97.02859	32.2
97.99181	1.2
98.01294	0.9
99.04429	13.2
103.95571	1.1
109.02885	8.7
113.02467	0.8
117.03346	1.1
120.00769	1.0
120.02598	1.6
121.01572	1.2
121.96591	6.9
127.03864	9.0
128.00742	0.9
145.04962	8.1
162.99171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11349	0.5
50.21115	0.5
51.86089	0.6
55.05497	8.3
56.96549	35.7
57.07055	8.4
58.50514	3.2
59.04975	2.8
60.95821	0.6
64.32294	0.7
67.05469	4.5
67.51038	7.7
67.52843	0.5
69.03396	3.8
69.07037	1.0
70.01299	2.8
71.04565	1.3
71.04966	53.1
73.06533	5.6
76.51562	10.0
79.01820	58.2
79.05453	2.6
79.52001	1.2
81.07014	1.5
82.89511	0.7
83.04952	5.1
83.08581	3.9
85.06516	25.2
85.52067	1.0
88.02342	100.0
88.52520	3.9
89.02584	1.0
90.52618	5.3
97.02859	14.0
97.10126	6.3
99.53128	7.4
105.07030	0.9
107.08556	19.2
115.17078	0.6
119.01705	0.6
125.09588	15.6
143.10605	5.7
162.93848	0.7
163.66682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1064
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
51.85358	1.3
55.05497	20.0
55.95835	1.2
56.96323	1.3
56.96554	19.6
57.07061	17.9
59.04988	2.0
61.14563	1.2
67.05484	7.8
67.51038	2.6
69.03396	2.0
69.07030	2.9
71.04968	100.0
73.06526	11.8
76.51566	3.2
79.01823	27.3
79.05486	2.1
81.07004	2.5
83.04955	8.3
83.08587	7.5
83.77359	1.2
85.06514	39.6
88.02345	45.5
88.52504	1.5
90.52586	2.7
93.28503	1.2
94.19490	1.3
97.02853	7.0
97.10137	12.0
99.53078	2.4
107.08560	37.2
125.09586	29.2
137.96635	1.3
143.10616	10.5
152.30763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45836	1.2
52.98185	1.4
54.81096	1.4
55.05498	17.7
56.96548	29.9
57.07061	17.2
58.50506	2.5
59.04979	1.5
61.21332	1.4
63.28655	1.3
66.98283	1.1
67.05482	3.2
67.51026	6.1
69.03391	5.8
69.07035	2.0
70.01271	1.9
71.04967	100.0
73.06522	9.7
76.51547	9.2
79.01822	40.5
79.05452	2.5
81.07012	2.1
83.04941	9.8
83.08583	9.4
85.06515	45.1
88.02341	81.0
88.52551	2.7
90.52618	2.4
97.02869	13.1
97.10113	14.8
98.80322	1.6
99.53116	5.0
107.08562	31.9
110.05331	1.7
125.09577	25.0
125.51035	1.5
143.10654	12.4
150.39684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1065
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.73508	0.4
54.80518	0.6
55.01838	0.7
55.05276	0.6
55.05495	11.4
56.96548	35.4
57.07059	13.9
57.39774	0.5
58.50507	2.6
59.04967	2.5
60.95829	1.3
61.00740	0.6
65.03909	0.5
67.05474	4.3
67.51037	9.4
69.03400	4.9
69.07023	2.4
70.01305	3.5
71.04967	70.0
73.06521	9.3
76.51546	10.7
79.01823	54.8
79.05461	3.6
79.51987	1.3
79.72805	0.6
81.07024	1.5
82.72496	0.6
83.04955	7.2
83.08591	6.6
84.36700	0.6
84.50304	0.6
85.04915	0.6
85.06010	1.2
85.06513	33.2
85.52058	1.2
88.02342	100.0
88.05880	0.7
88.52529	4.4
90.52594	3.7
91.05434	1.2
97.02859	16.4
97.10133	11.1
97.53021	0.7
99.53121	7.7
100.03258	0.7
107.08561	24.6
125.09586	20.8
143.03394	1.0
143.10634	8.0
150.50702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1064
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.79639	0.6
55.05494	9.6
56.96548	36.3
57.07055	10.0
58.50512	1.5
59.04990	1.0
60.95833	1.2
62.85027	0.8
67.05487	5.3
67.51038	9.1
69.03403	4.6
69.07032	0.9
70.01287	2.9
71.04967	60.6
72.79099	0.7
73.06536	6.9
74.11493	0.7
76.51559	8.2
79.01826	50.2
79.05453	3.1
79.52002	3.3
81.07022	3.3
83.04937	5.6
83.08591	6.0
85.06515	27.6
85.52061	1.1
88.02344	100.0
88.52551	5.3
90.52618	5.9
97.02856	15.0
97.10136	9.4
99.53114	7.4
100.03281	0.7
107.08559	24.5
125.09591	18.7
143.08498	0.8
143.10661	6.1
147.89442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.3
56.96552	27.8
58.57129	1.1
58.93083	1.0
60.95832	5.4
64.31955	1.5
67.51051	8.1
69.07010	1.2
75.79918	1.1
76.51572	7.3
79.01828	31.4
79.52009	1.3
83.93004	1.3
84.96017	6.4
87.09212	2.6
88.02343	66.1
90.52608	1.7
97.00761	1.4
97.02855	9.6
99.53135	1.5
101.95003	5.3
101.97151	1.4
102.00946	8.7
102.02198	8.4
102.96909	4.8
119.01881	32.2
119.03389	1.2
119.96023	3.2
120.01961	100.0
120.03249	10.4
120.97929	2.5
121.00867	1.9
121.01579	10.4
137.02919	20.8
137.97050	1.3
138.03011	67.7
138.98878	5.5
139.01775	4.5
139.02681	7.4
139.89355	1.2
142.96767	1.9
143.03551	44.4
144.03198	1.9
161.04639	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	143.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11946	0.2
54.20767	0.2
55.01847	0.2
55.05493	2.4
55.80179	0.1
56.00259	0.2
56.96547	34.1
57.07052	2.1
58.50505	2.2
59.04985	0.3
60.95829	1.3
61.00772	0.3
67.05486	0.8
67.51032	8.9
69.03400	0.9
69.07032	0.3
70.01293	4.3
70.51494	0.2
71.04963	13.7
73.06524	1.7
76.51553	10.4
79.01821	66.3
79.05454	0.4
79.52019	3.1
80.02034	0.3
81.07027	0.8
83.04951	1.3
83.08589	1.4
85.01861	0.2
85.06509	7.0
85.52085	1.8
88.02339	100.0
88.52528	4.2
89.02516	0.6
90.52599	6.2
91.02798	0.3
97.02853	12.6
97.10123	2.3
97.53015	0.3
99.24825	0.2
99.53124	9.7
100.03265	0.3
102.69785	0.2
107.08563	4.9
108.53632	0.6
115.15668	0.2
116.56453	0.2
120.97868	0.2
125.09596	3.8
128.06174	0.4
133.30913	0.2
138.98901	0.2
139.94513	0.2
143.03372	0.7
143.10626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1064
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
54.81139	1.1
55.01859	1.0
55.05498	22.5
56.96545	13.0
57.03399	1.1
57.07058	20.0
59.04980	1.3
60.95815	2.1
67.05479	7.0
67.51071	1.0
69.03410	7.0
69.07044	4.8
71.04965	100.0
73.06520	12.4
76.51556	4.7
79.01821	14.1
79.05457	7.4
81.07017	5.8
83.04946	11.9
83.08595	10.2
84.20578	1.0
85.06510	40.3
87.09219	2.0
88.02341	28.9
97.02868	9.2
97.06516	2.1
97.10128	15.1
98.06009	1.9
99.53136	1.8
102.02212	2.2
102.96853	2.2
107.08558	34.1
109.06477	1.3
112.92756	1.1
119.01891	5.3
120.01953	17.3
120.03228	2.0
120.97878	2.6
121.01662	5.7
125.02296	2.2
125.09581	27.2
137.02905	5.7
138.03041	13.6
138.98938	2.5
139.01730	4.3
139.02728	3.9
143.03401	12.9
143.10663	10.5
144.06554	1.2
144.08046	2.3
156.99838	1.1
161.04662	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.1
57.03436	0.3
57.16634	0.2
61.02925	0.2
62.11468	0.2
63.67717	0.2
68.05006	0.2
70.16561	0.2
72.82452	0.2
82.01413	0.3
82.04841	0.2
82.99814	1.1
84.08088	0.2
96.08122	0.8
98.97551	0.4
100.02422	1.4
100.92349	0.2
100.97160	0.3
100.97969	0.3
101.00843	20.3
101.02568	0.4
102.01541	0.2
118.03467	0.4
119.01880	100.0
120.01995	0.8
121.02303	0.3
124.02393	1.6
137.02913	37.7
142.03455	31.3
142.08609	1.3
142.12164	0.3
143.03511	0.2
160.04504	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	141.0543
Annotation	2,4,6-Trihydroxytoluene
Peak:m/z	Relative Intensity
50.08838	1.3
56.03108	1.3
63.47075	1.2
65.63663	1.2
67.05483	2.1
68.99750	9.7
75.32513	1.6
91.86936	1.4
95.08551	2.5
97.02843	2.0
98.03625	6.3
111.00765	87.3
118.03455	2.2
120.53338	1.3
124.15884	1.4
126.03093	61.4
141.05420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14352	1.3
58.26872	1.3
60.04501	2.1
69.03416	2.0
73.71099	1.2
80.52634	1.8
81.04511	1.6
100.02438	2.3
101.00846	17.5
101.02514	2.5
109.01427	1.7
110.53714	1.9
112.03716	1.9
118.03450	5.8
119.01881	100.0
119.03572	2.8
121.04183	3.0
137.02917	45.3
142.03462	26.5
157.03448	1.9
160.04527	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48324	0.3
57.65961	0.3
61.13889	0.3
65.42204	0.4
76.54814	0.4
82.01437	0.3
82.99825	2.1
87.56100	0.4
100.02454	0.7
100.85792	0.4
101.00844	21.2
101.02529	0.7
118.03431	0.5
119.01881	100.0
120.02094	0.5
124.02402	1.7
137.02913	33.1
137.49919	0.6
141.45192	0.4
142.03459	29.5
160.04514	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	139.1114
Annotation	Apocamphor
Peak:m/z	Relative Intensity
55.05492	5.6
56.96548	100.0
57.03408	6.0
57.07053	2.8
59.04972	6.0
60.23428	1.3
61.36087	1.2
62.04127	1.2
65.03899	2.4
67.05481	1.5
68.87443	1.2
69.03408	43.6
69.07036	6.4
70.53764	1.3
79.05453	6.4
81.07008	5.4
83.04944	8.3
86.92924	1.3
91.05438	2.5
93.07007	16.2
95.08577	17.6
97.06492	13.2
97.99134	2.3
98.97534	14.2
105.06986	8.0
111.04427	7.5
111.08063	2.8
112.42323	1.4
116.00173	1.8
116.98570	11.3
119.08540	1.8
121.10092	31.8
134.95308	1.4
134.99582	12.1
139.07541	2.3
139.11137	68.7
146.48030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	30.0
65.85693	0.4
65.92673	0.5
66.68259	0.5
67.24100	0.5
69.70083	0.5
71.95223	5.3
98.97546	100.0
115.84173	0.6
116.97219	2.0
116.98579	80.5
134.99606	50.6
135.00661	1.1
135.01164	0.8
140.00084	0.7
153.00665	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	139.0387
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.59355	0.4
53.03929	9.3
55.01865	0.7
55.19284	0.4
56.96547	11.1
64.95953	0.6
65.03917	8.3
67.05472	2.3
73.55600	0.5
74.75519	0.5
77.03907	0.8
81.65994	0.6
93.03361	4.9
93.07045	0.7
95.04926	100.0
98.97553	8.6
105.04467	3.7
111.04395	18.8
116.97182	0.7
116.98558	7.6
118.30063	0.8
121.02819	59.0
121.03822	1.9
134.99609	3.7
139.03851	28.2
148.18175	0.6
153.00600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1115
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
50.58018	1.0
55.01860	1.5
55.05494	16.4
56.96552	63.9
57.07059	1.5
59.04985	52.3
65.03913	14.1
67.05485	17.3
69.03413	3.4
69.07040	20.9
69.36706	1.4
71.04959	6.4
75.65887	1.4
79.05460	18.2
81.07026	33.2
83.04959	5.3
91.05458	5.2
93.03386	5.4
93.07014	33.7
95.04942	8.9
95.08573	84.2
97.06493	21.0
97.10125	2.5
97.99154	1.5
98.97550	11.7
103.05436	1.3
105.06995	15.4
111.04401	21.7
116.97277	1.8
116.98568	15.0
121.02797	2.8
121.10104	100.0
123.08006	2.3
134.99590	13.6
139.03857	6.3
139.07480	2.0
139.11137	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Salicylate
Peak:m/z	Relative Intensity
51.87710	0.4
53.03930	7.2
54.56240	0.4
55.01851	0.9
55.05478	0.5
56.96292	0.9
56.96547	14.8
57.93550	0.5
62.73756	0.5
64.32880	0.5
65.03915	7.5
65.24667	0.5
67.05478	2.3
68.55939	0.4
68.99752	0.5
77.03869	0.7
81.03412	0.5
82.75879	0.5
83.04926	0.9
83.25974	0.6
84.68014	0.6
87.12768	0.5
93.03345	5.1
95.04933	100.0
98.97549	9.2
101.58612	0.5
105.04489	4.4
111.04407	12.1
116.97243	0.7
116.98567	9.6
121.02825	52.4
121.03823	2.0
122.21518	0.6
134.99623	6.4
136.90686	0.6
138.17744	0.7
139.03862	24.0
139.04948	1.0
139.11073	0.7
153.00653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.44711	0.2
55.05507	0.3
56.96549	6.9
58.85352	0.3
60.03719	0.2
63.14683	0.2
65.03915	43.9
88.98568	0.3
93.03365	30.0
93.07029	0.3
95.04894	0.5
98.97541	2.5
101.98125	0.3
111.04402	100.0
116.01236	0.3
116.98557	2.3
121.02827	7.2
121.03886	0.6
125.01752	2.6
134.02260	0.5
134.05934	0.3
134.99579	1.5
139.03845	16.1
139.07425	0.4
142.64699	0.3
142.79500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
53.03933	8.0
55.01848	0.6
56.96294	0.9
56.96554	17.2
65.03918	12.7
67.05481	2.8
68.99758	0.5
77.03869	1.1
81.03391	0.7
81.26441	0.5
83.04919	0.7
88.27921	0.5
92.63728	0.6
93.03357	5.6
95.04932	100.0
96.41740	0.6
98.97547	11.7
104.65635	0.5
105.04496	5.1
110.47923	0.5
111.03663	1.2
111.04411	24.8
115.26338	0.7
116.98577	8.9
121.02829	54.6
121.03886	3.3
134.99622	6.0
139.03865	26.5
153.00708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0386
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.50801	0.6
53.03912	0.6
54.76305	0.6
54.80988	0.7
55.01852	5.0
55.05500	4.9
56.96548	50.8
57.03412	0.9
59.79002	0.6
62.64391	0.7
64.78752	0.7
65.03918	7.8
67.01828	1.2
67.05479	6.2
68.99760	5.1
69.03416	1.4
69.07043	9.6
71.04955	4.3
73.39317	0.6
79.05454	6.8
81.07008	4.2
83.04940	6.2
93.03359	7.3
93.07006	10.8
95.04937	1.7
95.08565	13.2
97.02845	0.8
97.06484	4.5
97.99123	0.9
98.97549	4.8
104.24398	0.8
111.04400	22.6
116.98559	4.2
121.02792	1.1
121.06378	0.7
121.10101	8.9
134.99573	3.3
139.03854	100.0
139.11130	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	137.1323
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03944	0.6
54.80817	0.4
54.81147	0.5
55.05494	4.8
57.07061	8.2
67.05488	19.4
69.07047	10.9
71.08611	0.8
79.05475	6.4
79.35087	0.4
81.07030	78.6
91.05444	0.6
93.07010	3.9
94.04159	1.7
94.07885	0.4
95.08578	100.0
107.08606	0.4
109.10147	6.0
122.03594	2.5
122.07265	2.8
137.02380	0.8
137.05930	6.1
137.09576	7.7
137.13216	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	138.0547
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.83959	0.2
56.96553	2.1
65.03870	0.2
67.05478	0.4
68.04987	0.2
78.03404	1.5
79.04202	0.5
80.04972	0.3
83.57590	0.2
84.68473	0.3
87.45364	0.2
90.78412	0.2
94.06519	0.3
95.04903	0.2
96.04453	10.6
96.50900	0.2
108.04447	3.1
110.05981	0.4
111.03143	0.3
111.04419	0.2
121.06459	0.4
124.03906	2.6
126.85764	0.2
138.05452	100.0
139.05756	0.4
154.04938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	N-Methylnicotinate
Peak:m/z	Relative Intensity
51.02361	0.1
53.03933	1.5
55.01851	0.2
56.96529	0.2
65.03915	0.3
67.05485	0.3
76.62095	0.1
77.03889	0.3
87.81513	0.2
91.05444	6.9
92.04978	2.1
93.05743	0.3
93.07005	14.0
94.06526	10.6
95.04930	2.9
96.04459	1.3
100.02425	0.2
103.05427	9.7
105.04486	0.8
110.06010	7.6
119.01878	0.2
121.06461	100.0
122.06758	0.2
138.05457	91.8
139.05757	0.5
142.03453	0.2
154.04912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05499	5.9
57.06826	0.6
57.07058	10.0
65.03895	0.5
65.69960	0.5
66.10782	0.5
67.05480	25.7
69.07040	10.7
71.08610	0.5
75.50890	0.6
79.05460	9.5
81.07025	89.2
91.05444	3.0
92.09343	0.5
93.07012	7.0
94.04136	2.9
95.04908	2.0
95.08569	100.0
107.04926	1.9
107.08569	1.0
108.09290	0.5
109.10124	12.8
119.08559	2.5
121.06459	0.8
122.03587	4.6
122.07241	19.2
135.07983	0.7
137.02319	0.7
137.05933	13.7
137.09570	47.2
137.13202	23.9
141.86606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.13894	0.3
53.03927	0.8
55.05500	5.1
57.07057	9.1
57.44466	0.4
63.00756	0.4
65.03922	0.7
65.25706	0.4
67.05151	0.8
67.05479	14.6
69.07045	6.1
71.08600	0.4
79.05460	10.1
81.07024	100.0
91.05452	3.0
93.06998	6.2
94.04171	2.2
95.04945	2.8
95.08567	62.5
108.09377	0.4
109.10147	4.9
122.03584	3.5
137.02333	1.9
137.05876	8.7
137.09579	4.8
137.13200	16.1
140.95160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.5
55.05493	4.9
57.06816	0.6
57.07058	8.6
64.72523	0.4
67.05479	22.6
69.07041	8.5
71.08617	0.7
74.08752	0.4
78.89898	0.6
79.05457	8.9
81.07022	80.4
82.07339	0.9
91.05453	0.6
92.09345	1.2
93.07024	4.3
94.04142	2.2
95.08567	100.0
107.08543	0.7
109.10136	5.5
122.03598	3.1
122.07248	2.1
137.05911	8.0
137.09576	7.7
137.13196	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	137.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86919	0.8
55.05490	4.0
57.07039	5.3
67.05157	1.6
67.05479	26.8
69.07044	7.3
70.38420	0.9
73.77563	0.8
77.61357	0.9
78.63001	1.0
79.05439	6.9
81.07022	57.9
87.77543	1.0
90.37125	0.8
91.05432	5.3
92.08687	2.1
93.06994	5.5
94.04173	1.1
95.04913	1.7
95.08565	79.9
97.81339	0.9
107.04931	7.6
107.08602	0.9
109.10112	26.3
119.08521	9.4
121.06458	5.5
122.03616	1.7
122.07233	52.6
137.05940	8.2
137.09569	100.0
137.13190	18.9
148.27856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
55.05476	0.8
57.07036	0.8
59.51751	0.8
60.94424	0.7
62.35724	0.8
67.05156	0.8
67.05481	12.8
69.07034	1.0
71.60275	0.8
79.05451	3.3
79.24905	0.7
81.07027	13.4
89.73921	0.7
91.05448	4.9
92.08660	0.8
93.06986	3.0
94.04088	1.0
94.07742	0.9
95.04922	0.9
95.08582	10.8
100.74587	0.7
103.05399	0.9
104.16962	0.7
104.77645	0.7
107.04916	8.8
109.10120	25.2
112.20049	0.7
116.44167	0.8
117.06929	0.8
119.08549	8.8
121.06438	5.8
122.07243	53.0
135.08020	3.1
137.05943	5.7
137.09575	100.0
138.09825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
51.74869	0.1
54.81598	0.1
55.73978	0.2
56.96542	1.2
59.69757	0.2
61.55524	0.2
91.05444	0.3
92.02454	0.3
94.04013	1.8
109.05125	0.3
119.01796	0.3
119.03513	5.8
136.06142	100.0
137.04532	4.4
140.86824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50214	0.4
56.96545	0.8
57.43023	0.4
59.04979	1.0
92.09219	0.7
94.04022	2.0
117.98848	0.6
119.03505	5.9
136.02122	4.7
136.06139	100.0
137.04486	4.3
144.87253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
74.03052	1.5
79.05457	2.3
81.06548	1.5
81.07018	3.2
81.44128	1.9
81.71303	1.9
90.35545	1.7
92.47379	2.2
94.04144	21.3
100.53093	1.8
122.03603	36.5
137.05925	100.0
152.40277	1.9
153.31319	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03922	1.7
55.01852	2.0
55.05483	6.5
55.41362	0.8
57.07057	1.1
58.23586	0.8
60.24720	0.9
65.03913	1.5
67.05479	42.8
69.03375	1.9
69.07023	1.2
70.03989	1.0
72.13309	0.9
78.10726	0.9
79.05466	9.9
81.03360	1.7
81.07030	29.4
83.04957	2.1
86.03100	0.9
90.99063	1.2
91.05446	22.3
93.06989	5.3
93.83772	1.0
94.04130	1.7
95.04922	15.0
95.08568	15.8
107.04943	7.7
107.08561	2.1
109.05744	1.8
109.06489	42.0
109.09406	1.7
109.10124	40.7
117.06989	1.4
119.08517	12.9
121.06449	1.4
122.03594	6.5
122.07234	39.7
135.08043	1.9
137.02380	1.4
137.05896	15.8
137.09569	100.0
137.13245	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	135.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
55.05490	15.9
57.07040	1.3
65.03893	1.6
67.05474	1.2
68.12392	1.0
69.07032	6.4
73.92014	1.0
79.05457	31.1
80.03475	1.3
81.07001	4.7
91.05444	30.0
93.07001	72.4
94.07777	1.1
95.04912	6.9
99.20593	1.1
105.06995	17.4
107.08559	100.0
109.06480	5.0
119.05998	2.0
119.08537	6.8
120.09330	1.5
133.10127	1.5
135.04410	1.0
135.07935	1.1
135.11638	40.4
136.02119	1.2
136.06108	1.9
140.62090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02361	0.3
53.03930	1.8
55.05497	8.6
57.07059	0.5
58.62646	0.3
65.03912	0.7
67.05486	2.1
69.07037	3.6
79.05463	14.5
79.05916	0.7
81.07033	2.6
91.05449	26.5
93.07013	59.5
94.07780	0.9
95.04944	6.3
95.43659	0.5
103.05432	0.4
103.50184	0.4
105.04479	1.6
105.07001	11.9
107.04900	0.6
107.08566	100.0
109.06503	6.9
115.28038	0.4
117.07011	0.6
119.06026	2.4
119.08572	3.6
120.09306	0.7
135.06497	0.4
135.11652	29.0
136.02129	0.5
136.06134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.68415	1.0
53.03933	2.5
54.33785	1.1
54.80306	1.3
55.05495	10.4
55.53476	1.2
56.74338	1.2
65.65376	1.0
67.05480	1.8
67.86473	1.2
69.07029	2.5
69.40051	1.0
71.02970	5.1
72.32895	1.2
79.05466	22.7
81.07033	5.3
87.50964	1.1
91.05444	29.6
93.07013	56.1
95.04937	6.8
105.04475	1.6
105.06988	13.0
107.04943	1.4
107.08562	100.0
109.06479	8.1
119.06041	2.2
119.08545	7.1
124.86913	1.2
135.04396	1.2
135.08031	2.9
135.10683	2.6
135.11652	47.2
136.02118	8.9
136.06152	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.17316	1.1
53.03918	1.4
53.47474	1.1
55.05490	8.2
58.39020	1.2
59.60620	1.1
60.85134	1.3
65.03904	1.2
67.05489	1.6
67.95398	1.2
69.07033	2.4
77.38374	1.3
79.05466	13.0
81.07034	2.2
91.05451	29.1
93.07014	45.7
95.04908	3.3
105.06997	14.7
107.04897	2.2
107.08562	100.0
109.06487	5.9
113.80472	1.4
119.06087	2.0
119.08569	12.4
120.09348	2.1
135.08008	7.1
135.11649	49.5
136.02110	2.2
136.06204	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0438
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.30554	1.0
53.03924	2.2
56.11345	1.2
62.81420	1.2
63.02348	1.5
79.05471	17.7
89.03886	79.6
95.04935	5.1
96.10056	1.3
105.04482	2.2
107.04919	25.1
107.88421	1.1
117.03342	35.9
117.04153	1.7
135.04372	100.0
148.98048	1.3
153.65730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0438
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.11847	1.2
53.03935	3.3
54.44025	1.6
55.05490	1.7
60.23794	1.3
63.02359	2.1
70.83901	1.7
77.33847	1.4
79.05456	20.9
89.03880	75.8
91.05457	6.6
92.63287	1.5
93.07032	11.5
93.45974	1.4
95.04900	11.3
99.02146	1.6
105.04458	1.9
105.06992	2.3
107.04915	32.7
107.08564	19.3
117.03336	40.1
119.08602	1.7
135.04369	100.0
135.05409	3.3
135.07980	3.3
135.11630	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	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.63547	0.4
53.03927	2.3
55.05493	9.1
57.07063	0.5
62.86414	0.5
65.03924	0.6
67.05493	2.2
67.54306	0.4
69.07047	3.8
71.02981	0.5
72.31443	0.5
79.05461	14.9
81.07024	3.4
89.09841	0.4
91.05444	21.9
92.08724	1.1
93.07008	45.5
94.07793	0.7
95.04926	4.0
105.04504	0.9
105.06997	14.7
107.04916	0.6
107.08561	100.0
108.08909	0.6
109.06480	6.5
119.06062	2.6
119.08539	6.1
120.09364	1.9
133.49147	0.5
135.08080	0.7
135.11649	36.9
136.02130	0.7
136.06146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
53.03915	0.3
55.05493	2.1
56.45610	0.3
56.96548	100.0
57.03417	11.9
57.56610	0.3
60.95828	0.6
61.02908	1.0
64.17966	0.4
67.05512	0.4
69.03412	0.4
69.07040	0.8
70.98097	2.3
71.01332	2.5
71.04973	4.9
71.95239	2.1
74.97572	5.0
75.04448	0.8
77.77180	0.4
79.05452	4.3
81.07021	7.0
81.99953	5.5
84.96005	1.0
85.02869	3.3
86.97579	1.0
88.99130	0.7
89.03892	3.1
89.06016	0.5
91.00484	58.6
91.50666	0.9
92.98636	0.6
95.04942	0.8
97.99168	0.9
98.01251	2.3
98.97547	43.9
99.08059	7.9
100.01000	53.7
100.51184	0.9
100.99118	2.4
102.51259	4.6
103.00441	0.7
107.04935	2.6
109.01519	2.3
111.51807	2.5
111.53574	0.9
112.00986	16.2
112.51155	2.0
113.02327	11.8
114.02703	0.4
116.00199	0.5
116.98582	45.5
117.03358	0.7
119.00148	1.9
119.97426	0.4
121.01505	38.0
121.51682	3.0
122.67764	0.4
128.98586	0.8
130.96523	0.7
132.52287	0.8
133.01680	0.6
133.23650	0.4
134.99609	46.0
135.04378	5.1
135.05354	0.8
135.08012	0.4
136.06111	3.6
137.01231	0.5
144.98033	5.4
146.99663	0.8
148.97522	2.4
153.00661	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	135.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.4
53.03924	0.5
53.79020	0.3
55.01860	0.6
56.05019	0.4
56.96549	100.0
57.03421	3.1
59.04974	0.5
60.39288	0.4
61.02905	0.7
64.59975	0.4
69.03403	2.5
70.98096	3.8
71.01332	3.6
71.02937	0.5
71.05005	0.4
71.95225	0.4
72.99468	0.7
74.97578	7.6
79.05447	3.2
80.52708	0.4
81.99972	5.3
83.04977	0.5
84.96024	0.9
85.02871	3.3
86.97575	0.9
88.05828	0.4
88.99137	1.7
89.00777	0.4
89.03876	0.5
91.00484	59.9
91.50670	2.7
91.57774	0.4
92.98600	0.7
94.52409	0.4
95.04927	1.0
97.99168	2.3
98.01280	2.6
98.01879	0.4
98.97557	6.6
99.04446	0.6
100.00998	51.8
100.02450	2.6
100.51202	1.9
100.99102	3.5
101.00838	1.0
102.51268	4.9
103.00462	1.7
103.03177	0.5
105.00212	0.6
105.02020	0.5
105.04488	0.5
107.00202	0.6
107.01773	0.5
107.04958	3.5
109.01536	1.6
110.32162	0.5
111.51763	3.0
111.53640	2.5
112.00990	15.1
112.03692	0.6
112.51167	0.5
113.02336	10.3
114.02750	0.4
116.00209	0.7
116.98568	6.3
118.03497	0.5
119.00137	3.2
119.01884	4.2
119.03517	0.4
121.01502	43.2
121.51717	2.5
124.94303	0.4
128.02301	0.6
128.98578	0.6
129.28928	0.4
130.02028	0.7
130.96495	0.9
131.01823	0.5
132.52307	1.8
134.11717	0.6
134.99612	5.5
135.04413	1.9
135.05534	1.6
135.06615	0.5
136.06157	0.9
144.98035	6.0
146.99644	1.6
148.97548	2.7
153.00687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05487	1.0
60.41667	0.5
66.18501	0.6
79.05447	2.3
80.38646	0.5
81.45628	0.5
88.02181	0.9
91.05440	12.0
91.05970	1.0
93.07006	3.1
95.04915	0.7
98.00739	1.3
103.05442	1.2
105.06994	36.7
115.05403	1.4
117.06975	3.9
118.07759	4.9
131.08511	4.2
133.10083	100.0
139.52518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.99096	0.4
55.05504	0.6
68.37567	0.4
74.67833	0.4
79.05476	3.5
84.16260	0.5
87.39621	0.5
91.05441	9.7
93.07011	2.1
95.04926	0.6
98.40421	0.5
103.05437	0.8
105.07001	30.9
105.59058	0.5
107.08540	0.5
115.05420	2.9
117.06968	3.1
118.07803	3.5
129.06996	0.5
131.08504	3.3
133.10091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.8
65.33508	0.4
79.05450	3.1
79.15739	0.4
79.46352	0.5
80.82267	0.4
91.05442	8.9
92.08724	0.5
92.25875	0.4
93.06995	2.3
103.05434	1.0
105.06997	27.9
115.05418	3.0
117.06992	2.9
118.07735	4.2
127.05964	0.4
131.08528	4.1
133.10085	100.0
134.10429	0.5
139.14311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05484	1.5
55.99713	0.4
57.76427	0.3
63.10882	0.4
69.41816	0.3
69.65448	0.3
79.05460	2.1
91.05446	7.8
93.06973	2.8
103.05419	0.8
105.06997	27.2
107.08563	0.4
109.40581	0.4
114.64922	0.4
115.05417	4.1
117.06962	3.0
118.07765	4.0
131.08514	4.1
131.15494	0.4
133.10085	100.0
134.10373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.50848	0.6
54.81191	0.8
55.05491	3.6
55.72113	0.8
56.86316	0.7
76.40271	0.9
77.26707	0.9
79.05453	5.2
86.05105	1.0
88.02157	1.4
91.05446	26.0
93.06993	6.5
95.04921	1.8
98.00753	1.9
103.05390	3.8
105.06996	86.5
115.05431	5.0
116.06226	1.1
117.06971	6.2
117.95911	1.2
118.07782	7.3
129.06888	0.9
131.08545	13.0
133.10085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25301	0.5
53.03931	0.6
53.43756	0.6
55.05483	0.7
58.02085	0.5
68.16758	0.5
79.05454	3.3
88.02174	0.8
91.05450	13.2
92.09340	1.3
93.07001	3.5
95.04929	1.1
98.00726	2.9
102.16155	0.7
103.05423	1.3
105.06995	53.4
107.08574	1.0
115.05413	3.3
117.06935	1.5
118.07732	3.9
131.08508	3.3
133.06386	1.0
133.10080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1009
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.56585	1.0
55.05492	2.7
59.12055	0.9
64.76427	1.0
75.49097	1.1
77.99926	1.3
78.51194	1.6
79.05445	6.5
87.51720	1.5
88.02190	15.7
89.00206	11.9
90.00108	2.7
91.05447	27.3
93.06999	6.3
98.00735	30.0
98.50759	1.5
99.00604	5.4
100.45852	1.1
100.51007	2.7
103.05441	4.0
105.06998	100.0
107.01255	5.2
109.51542	1.7
115.05443	2.5
117.06979	2.5
117.95937	6.6
118.07753	5.6
119.95687	1.5
124.15326	1.1
128.33681	1.2
131.08542	12.3
133.06454	4.9
133.10085	95.5
135.96994	6.7
154.76967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0546
Annotation	Osmundalactone
Peak:m/z	Relative Intensity
53.03930	9.6
53.92857	0.7
55.01858	56.8
55.05496	62.2
55.05767	2.1
56.96548	8.8
57.03419	54.1
59.04951	1.1
61.02899	15.3
65.03916	5.5
65.90370	0.9
67.05474	3.6
68.99754	1.1
69.03407	100.0
70.59504	1.1
70.98084	1.6
71.01347	0.9
71.04962	14.5
71.53022	0.7
73.02885	6.3
73.63108	0.8
74.41752	0.7
78.22592	0.8
78.37820	1.0
81.03381	6.4
82.05276	1.1
83.01306	0.8
83.04950	88.2
83.06049	1.8
84.04482	2.0
84.08111	19.2
85.02876	75.7
88.02267	0.8
92.40264	0.8
93.03360	1.3
94.25739	0.9
98.97539	1.1
99.04418	15.4
105.02116	0.9
107.01798	1.6
109.42443	0.8
111.04405	31.4
111.05508	10.2
112.07579	21.6
119.42896	0.9
120.02524	1.1
129.01794	4.0
129.03041	1.3
129.05444	14.8
129.10199	1.0
130.08597	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	130.1589
Annotation	Octylamine
Peak:m/z	Relative Intensity
52.20366	0.5
52.68158	0.4
57.07059	32.2
59.04972	0.8
60.05312	0.5
69.03381	0.5
74.09690	26.2
76.00159	0.5
79.56117	0.5
84.04457	2.2
84.08109	0.5
87.00429	4.8
92.08621	0.6
96.00916	0.8
96.93582	0.5
101.86362	0.5
103.05412	0.5
112.07575	3.1
113.96357	0.5
126.11304	0.5
130.06461	2.3
130.08591	1.1
130.15874	100.0
131.97360	0.5
138.20107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.69379	0.5
53.03922	1.7
55.01850	1.3
55.05488	3.3
56.96545	1.5
57.03410	1.8
59.04991	1.0
66.09135	0.6
67.05488	1.1
69.03399	2.6
69.07044	7.4
72.93724	0.7
73.06519	1.2
74.93793	1.6
77.03888	1.0
78.77295	0.8
79.05464	7.4
85.68163	0.7
86.05137	0.8
88.02193	7.8
89.00230	4.8
91.05447	23.0
93.07014	4.5
95.04918	1.2
98.00156	0.7
98.00717	6.9
100.50982	1.1
103.05415	4.3
105.03358	1.7
105.06999	100.0
115.05422	2.9
115.07535	1.1
115.96371	1.2
117.06967	4.4
117.95948	0.8
118.07721	6.6
131.08522	4.6
133.02805	1.4
133.04839	6.4
133.06454	26.7
133.10088	42.6
133.97485	0.9
141.46098	0.7
150.96849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1116
Annotation	Sulcatone
Peak:m/z	Relative Intensity
54.80953	0.8
55.01875	0.8
55.05486	2.0
56.52622	0.8
56.96543	1.5
57.03413	1.5
60.86574	0.7
67.05480	36.0
69.03396	1.8
69.07041	71.9
71.04963	17.7
73.88951	0.9
81.03368	3.8
81.07022	10.2
84.01531	3.6
85.06499	1.1
93.02058	5.2
107.08586	1.1
109.02850	3.7
109.10118	100.0
116.05183	0.8
127.03886	7.4
127.11117	9.2
133.65628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55578	1.2
53.00287	2.1
53.03741	1.2
53.03935	22.9
54.20049	1.0
54.81013	1.4
55.01859	18.2
55.05244	1.4
55.05497	35.5
55.08368	1.2
56.82001	1.2
56.96549	72.1
57.03413	6.3
58.06573	7.6
59.07377	1.5
67.01831	6.2
67.05505	1.3
67.45272	1.3
67.93556	10.6
67.95230	1.4
68.45272	6.2
68.95248	7.9
69.03406	100.0
71.04964	97.1
71.95237	1.6
79.05506	1.4
81.03388	76.9
81.04495	2.1
82.01405	2.8
83.00762	2.0
83.01310	1.7
83.04943	8.3
84.01541	14.1
84.08127	15.8
84.96006	2.3
85.02872	7.6
85.51873	1.5
85.94593	3.1
87.61128	1.3
90.01489	1.9
90.51730	1.3
92.01261	2.8
92.52656	6.3
93.02058	11.9
94.52395	11.3
95.01284	17.0
95.02488	2.0
95.06036	2.0
97.02856	24.1
97.99140	1.9
99.04424	80.0
99.05457	2.1
100.02432	18.4
101.02551	2.1
101.53147	6.6
102.02143	2.0
103.02408	2.2
104.01246	5.9
106.52419	1.5
109.02850	72.7
109.07603	2.1
109.12557	1.6
112.07584	1.7
113.01739	3.2
116.05713	1.5
117.03949	1.4
118.03474	18.3
119.01842	1.6
119.03622	1.8
120.03216	1.5
121.01613	2.6
121.03414	1.6
121.96688	2.2
122.01980	2.7
124.06268	1.9
127.00621	3.3
127.03871	69.6
127.04848	3.2
127.07074	5.6
127.08633	1.6
135.04935	2.6
140.95068	2.3
145.01709	6.6
145.03445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
52.55578	1.2
53.00287	2.1
53.03741	1.2
53.03935	22.9
54.20049	1.0
54.81013	1.4
55.01859	18.2
55.05244	1.4
55.05497	35.5
55.08368	1.2
56.82001	1.2
56.96549	72.1
57.03413	6.3
58.06573	7.6
59.07377	1.5
67.01831	6.2
67.05505	1.3
67.45272	1.3
67.93556	10.6
67.95230	1.4
68.45272	6.2
68.95248	7.9
69.03406	100.0
71.04964	97.1
71.95237	1.6
79.05506	1.4
81.03388	76.9
81.04495	2.1
82.01405	2.8
83.00762	2.0
83.01310	1.7
83.04943	8.3
84.01541	14.1
84.08127	15.8
84.96006	2.3
85.02872	7.6
85.51873	1.5
85.94593	3.1
87.61128	1.3
90.01489	1.9
90.51730	1.3
92.01261	2.8
92.52656	6.3
93.02058	11.9
94.52395	11.3
95.01284	17.0
95.02488	2.0
95.06036	2.0
97.02856	24.1
97.99140	1.9
99.04424	80.0
99.05457	2.1
100.02432	18.4
101.02551	2.1
101.53147	6.6
102.02143	2.0
103.02408	2.2
104.01246	5.9
106.52419	1.5
109.02850	72.7
109.07603	2.1
109.12557	1.6
112.07584	1.7
113.01739	3.2
116.05713	1.5
117.03949	1.4
118.03474	18.3
119.01842	1.6
119.03622	1.8
120.03216	1.5
121.01613	2.6
121.03414	1.6
121.96688	2.2
122.01980	2.7
124.06268	1.9
127.00621	3.3
127.03871	69.6
127.04848	3.2
127.07074	5.6
127.08633	1.6
135.04935	2.6
140.95068	2.3
145.01709	6.6
145.03445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0389
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
53.03933	8.5
55.01846	3.8
55.05494	0.8
56.96562	3.5
57.03408	1.0
57.07037	0.5
65.03894	0.7
67.05474	2.7
67.93530	2.8
69.03401	12.5
71.04953	3.9
74.02339	0.5
76.43068	0.4
76.51553	0.5
79.05450	2.6
81.03387	16.3
81.07024	9.1
83.04940	1.0
84.01531	2.7
84.08134	0.8
85.02885	0.9
85.06512	16.5
93.02045	5.1
97.02859	2.6
99.04422	4.0
103.95601	0.7
104.52817	1.0
109.02843	20.9
109.06488	3.3
127.03871	100.0
127.07470	2.7
135.41707	0.5
140.95114	0.7
144.05589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0392
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
61.68546	0.2
66.40990	0.2
66.43148	0.2
75.92378	0.2
78.03413	1.4
80.04991	11.8
80.18932	0.2
90.01983	0.3
94.99144	0.2
96.04453	8.2
96.08046	0.3
111.02129	0.3
119.01891	1.5
124.03913	100.0
124.07565	1.0
125.04220	0.3
127.15321	0.2
137.02951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.096
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01869	4.9
55.05500	55.9
60.95835	20.2
62.52416	3.5
64.55371	3.1
65.03928	4.0
68.48364	3.1
68.60559	3.1
69.03403	34.3
69.07046	13.2
78.51208	5.0
79.05453	28.9
81.01454	6.4
81.07029	27.1
83.04957	66.0
83.08596	14.3
90.01997	21.2
91.05457	15.8
92.09355	3.7
97.10137	4.5
99.49526	3.0
102.02202	4.4
103.79834	3.6
105.06981	7.3
107.08563	100.0
109.06509	4.7
125.07055	6.0
125.09589	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.8
53.38874	0.7
56.96543	12.2
57.03416	5.6
58.99840	1.7
59.99923	0.9
61.02892	3.5
68.05044	0.8
69.01863	0.9
69.03397	5.4
72.52935	0.9
76.51548	0.8
77.00890	1.6
78.52928	1.7
80.02883	1.0
80.04988	4.3
80.52654	3.6
81.05318	1.7
83.01482	1.2
84.02387	1.1
85.02866	0.9
85.66361	0.7
86.52663	3.6
87.53478	1.1
88.02679	1.3
89.03404	1.6
92.52646	1.0
94.02653	3.5
95.01871	0.9
96.04457	7.0
100.02445	8.8
101.00847	11.9
101.02516	13.5
101.53186	1.0
102.02225	1.2
103.03155	7.7
103.53223	0.8
104.03002	1.2
105.53371	0.9
110.04769	4.2
112.03732	4.1
112.24503	0.9
112.53951	0.8
113.00912	0.9
113.02441	0.9
114.53931	1.2
116.00245	0.8
117.10184	0.9
118.03482	8.2
119.01878	100.0
119.03537	11.9
120.01962	1.8
120.03242	1.1
121.01602	1.6
121.04195	1.6
124.03039	1.5
124.03909	33.0
124.04844	1.3
124.05834	9.9
124.07521	4.2
125.07075	1.4
130.04771	0.9
131.01871	4.0
133.01599	1.2
133.03423	3.7
137.02911	67.2
142.03456	7.4
143.01846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	34.3
58.56060	0.7
59.90461	0.7
60.55702	0.8
60.95821	1.5
69.82800	0.8
70.98083	1.2
71.02933	1.1
75.00986	1.1
78.77075	0.8
80.52689	1.3
82.01418	1.2
84.01534	1.3
84.94743	0.9
85.02886	0.9
90.01970	1.7
91.00486	3.6
92.08727	2.0
94.02638	1.1
95.01274	4.2
96.04442	3.3
98.01270	10.2
100.00996	1.5
100.02426	6.8
101.00848	15.3
101.02519	9.0
102.96947	0.9
103.03129	1.4
106.06500	1.4
107.01745	1.7
112.03706	1.7
116.00108	1.2
118.03478	5.4
119.01875	100.0
119.03532	9.7
121.01509	4.7
124.03906	14.7
124.05820	3.5
124.07510	11.4
124.08540	2.9
131.01880	1.4
133.01608	1.1
133.03377	0.8
137.02910	57.4
142.03427	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	123.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81034	0.4
55.05476	0.7
56.96550	79.6
57.07052	1.9
58.50266	0.4
58.50521	3.5
60.72051	0.4
67.05487	4.0
67.51038	16.2
68.41911	0.5
69.07039	0.8
70.01289	3.2
76.51557	19.1
77.01756	0.5
79.01823	52.5
79.05459	2.2
79.51991	2.3
80.04971	2.2
81.07028	33.8
83.50131	0.5
85.52066	5.3
88.02345	100.0
88.52529	5.3
90.34984	0.5
90.52602	2.2
93.06979	0.6
95.04934	0.5
95.08576	4.7
97.02858	15.5
97.53065	0.6
99.53122	3.0
100.02452	3.3
111.37807	0.6
114.16502	0.5
118.03490	1.1
123.04530	0.7
123.05513	11.4
123.10004	0.5
123.11658	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	124.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52945	0.6
52.57864	0.6
52.84769	0.7
54.80954	0.8
56.21171	0.7
60.82354	0.6
78.65944	0.8
83.01521	0.9
88.37289	0.7
100.02425	3.1
101.00224	1.1
101.00842	21.1
101.01460	1.5
101.02523	11.6
101.52504	0.9
111.74619	0.8
118.03487	1.3
119.01875	100.0
119.03566	8.7
124.04401	0.8
137.02905	48.3
142.03467	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	123.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47793	0.7
55.05492	2.8
55.82851	0.6
56.96548	88.7
57.07056	2.8
58.50525	3.5
58.96136	0.8
64.32262	0.7
67.05486	7.0
67.51042	17.0
69.07044	0.8
70.01302	2.7
74.97590	0.9
76.51549	22.2
77.66207	0.6
79.01348	1.3
79.01819	43.8
79.05461	7.1
79.52005	2.9
80.05004	4.8
81.07023	55.6
85.52085	3.7
88.02339	100.0
88.52536	5.5
90.52590	1.2
92.09443	0.8
95.04929	1.3
95.08579	8.3
96.04456	1.3
97.02849	15.5
99.53129	4.4
100.02438	2.7
105.34091	0.7
109.67361	0.7
114.41101	0.7
118.03501	3.2
121.37865	0.6
123.04514	1.8
123.05504	20.9
123.08007	1.6
123.09971	3.8
123.11658	30.3
139.21307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.51237	0.3
51.02362	0.8
52.19715	0.3
52.74273	0.3
53.03923	2.3
56.96548	59.2
58.50516	1.7
61.06264	0.3
62.17685	0.3
65.03920	0.4
66.64493	0.3
67.05484	5.8
67.51039	11.3
69.03398	2.6
70.01291	0.7
76.51554	10.7
77.03893	5.6
79.01821	32.5
79.05470	0.4
79.51993	1.7
80.04984	8.2
81.07047	0.6
82.01399	0.5
84.08109	0.9
85.52093	1.5
88.02342	63.4
88.52506	4.5
89.02131	0.4
90.52596	0.6
95.03162	0.3
95.04924	10.3
96.04467	2.7
97.02861	9.6
97.53036	0.4
99.53129	1.6
100.02432	5.6
102.53089	4.8
105.03365	8.3
105.04474	1.8
111.53609	26.6
112.03761	2.0
112.07570	11.8
114.03870	0.4
118.03480	5.9
119.01889	1.4
120.54131	4.7
123.04394	100.0
123.05501	32.2
123.09964	0.5
124.03880	0.8
124.04719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78928	0.4
51.97871	0.4
56.96552	4.0
56.96775	0.4
58.99845	4.1
59.09619	0.4
62.20611	0.4
66.80257	0.5
67.51055	0.6
68.37069	0.4
72.84869	0.5
76.18150	0.4
76.51601	0.5
76.54736	0.5
77.00863	1.9
79.01810	2.5
81.64343	0.5
82.01418	20.8
88.02345	6.0
97.30241	0.4
100.02448	100.0
101.02565	0.8
102.02876	0.6
118.03480	73.4
119.01882	4.0
120.03933	0.5
123.05518	0.9
128.98254	0.5
137.02939	2.2
141.05035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01560	0.4
50.75302	0.2
51.02357	1.9
52.14076	0.2
53.03933	2.4
55.01852	0.5
56.56771	0.3
56.96548	16.4
58.50514	0.5
67.05487	4.8
67.51045	4.4
76.51560	5.4
77.03898	6.0
79.01819	11.0
80.04982	3.7
85.10995	0.3
85.52073	0.5
88.02343	20.2
88.52527	0.6
92.09285	0.4
95.04935	10.9
96.04468	1.2
97.02856	3.4
99.28613	0.3
100.02451	2.1
105.03353	7.8
105.04473	1.5
118.03485	2.4
123.04389	100.0
123.05482	14.4
124.03913	5.0
124.04728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48546	0.4
51.17643	0.5
51.81537	0.5
56.48921	0.5
56.96549	6.7
58.99839	5.4
59.99623	0.4
67.51026	2.8
71.27613	0.4
74.31815	0.5
74.70706	0.4
76.51537	0.8
77.00868	2.0
79.01810	2.3
82.01412	22.3
88.02341	6.9
97.02847	0.8
100.02448	100.0
101.02510	0.9
111.01337	0.5
118.03477	70.8
119.01910	4.7
122.14721	0.5
123.03967	0.7
137.02907	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	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
68.08912	0.5
72.89955	0.5
85.11729	0.6
89.37186	0.6
91.05443	4.0
93.07001	9.6
95.04920	1.1
103.05427	43.0
104.05730	0.8
105.04430	0.7
120.08060	100.0
121.08417	0.6
122.29132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02362	0.6
53.03698	0.5
53.03930	10.1
55.01855	0.8
65.03925	0.7
72.05482	0.4
75.06375	0.5
76.38232	0.5
77.03895	2.2
81.03370	0.7
91.05448	38.6
93.07009	43.8
95.04934	22.6
99.50159	0.4
103.05434	53.0
105.04484	5.9
112.23548	0.4
121.06464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
51.02348	0.7
53.03927	9.1
53.77340	0.4
55.01844	1.2
65.03916	0.5
68.57616	0.4
77.03894	2.9
81.03401	0.6
86.15627	0.6
91.05446	39.1
93.07006	44.3
95.04932	25.9
103.05432	54.2
105.04475	7.0
121.06461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.4
65.52826	0.5
79.05448	4.0
83.25964	0.5
84.97249	0.6
91.05444	49.6
93.07001	3.4
95.04919	1.0
103.05428	8.0
104.06226	6.9
115.05387	2.1
117.06158	1.1
117.06982	27.9
119.08540	100.0
135.16289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
66.95174	0.6
74.41321	0.7
78.86788	0.7
79.05462	1.6
91.05448	66.0
93.07018	4.8
95.04904	1.0
103.05419	7.6
104.06221	8.0
106.05756	0.8
109.06459	1.1
115.05393	1.6
117.06986	39.5
119.08541	100.0
120.08846	1.1
129.46634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45339	1.5
55.73346	1.6
57.06792	4.3
57.07057	100.0
60.54962	1.6
63.04451	9.1
64.32552	1.9
79.55413	1.9
91.05435	53.9
101.29130	2.0
117.06963	7.7
119.06066	13.8
119.08539	49.2
120.05590	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	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
53.38438	0.7
56.37775	0.7
63.22821	0.7
65.03928	0.9
69.31992	0.8
79.05466	3.2
91.05456	54.8
91.06029	1.8
92.63023	0.9
93.07001	4.0
95.04950	0.9
103.05420	6.0
104.06213	6.8
108.66951	0.8
109.06506	1.7
115.05460	3.9
117.06998	30.1
119.06059	4.0
119.08549	100.0
120.05629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03912	0.9
55.31326	0.6
60.04470	0.7
65.03927	1.4
74.12240	0.7
79.05442	0.8
91.05444	50.7
92.09399	1.0
93.06989	1.3
95.04905	1.3
98.71566	0.6
103.05429	5.4
104.06216	4.6
115.05447	1.7
117.06979	12.0
119.06024	3.5
119.08536	100.0
131.05923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
65.03912	1.1
72.15454	0.6
79.05455	3.9
87.53425	0.7
88.72671	0.7
91.05441	58.5
93.07018	2.7
95.04937	0.9
103.05430	6.6
104.06197	5.0
115.05421	2.6
116.00616	0.6
116.01746	0.6
117.06982	14.4
119.06117	4.4
119.08536	100.0
124.69064	0.5
137.92290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
56.90871	0.5
58.23919	0.6
65.03918	12.2
70.43513	0.6
91.05450	100.0
91.12716	0.5
92.08646	1.2
96.72785	0.5
110.77605	0.6
117.07018	0.7
119.04908	66.0
119.08543	8.4
125.32405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
65.03925	1.6
78.99812	1.1
79.02153	2.0
79.05452	6.5
79.24355	1.0
84.51721	1.1
87.53455	2.3
91.05445	78.6
92.05000	1.2
93.07009	1.4
96.53951	2.1
103.05402	6.4
104.06204	2.6
115.05418	2.5
117.06980	34.0
119.04909	1.6
119.05195	1.7
119.06019	17.4
119.08537	100.0
120.05563	2.0
133.03471	1.5
133.37062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
65.03905	1.0
65.56310	0.7
72.93744	0.7
77.69050	0.8
79.05456	4.2
87.43731	0.7
91.05447	63.9
92.08706	1.6
93.07024	2.6
95.04948	1.4
95.86576	0.6
96.05244	0.9
102.36487	0.7
103.05427	8.0
103.74182	0.7
104.06219	7.7
105.04565	0.8
109.06497	0.9
115.05472	2.3
117.06986	30.3
119.06083	5.1
119.08542	100.0
131.22714	0.7
139.51299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96520	2.1
58.99834	2.5
59.99908	2.0
61.94146	1.2
68.95232	1.7
78.76887	1.3
82.38258	1.5
83.01495	7.4
84.89526	1.5
87.53448	1.9
89.97063	1.4
90.30199	1.4
100.02434	3.3
101.00852	17.0
101.02515	36.2
102.02177	1.6
112.40760	1.3
115.02711	1.4
118.03489	2.4
119.01878	100.0
119.03566	42.6
120.95249	1.3
131.18330	1.4
137.02908	61.7
137.04558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	3.3
59.99926	3.1
98.97601	3.1
100.02415	6.0
101.00836	6.3
101.02517	38.2
101.15019	3.6
107.93911	3.1
116.94428	3.4
117.33427	2.8
119.01881	100.0
119.03555	56.9
137.02914	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55256	0.6
57.07058	1.3
65.03915	12.6
65.29005	0.7
67.82054	0.9
70.28680	0.7
91.05444	100.0
92.04957	1.1
92.62827	1.0
98.36515	0.9
103.05417	1.6
104.06181	1.9
117.06992	4.5
119.04903	50.9
119.05999	4.8
119.08527	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.21164	0.7
56.63000	0.7
65.03914	10.6
91.05446	100.0
92.08775	1.5
109.50468	0.8
114.13352	0.9
119.04904	66.8
119.08541	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	118.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	1.9
53.03932	21.6
55.01833	1.3
63.21971	1.7
72.08109	1.9
77.03875	3.5
91.05441	2.5
95.04927	70.4
95.59038	1.3
101.03705	1.5
105.04460	16.7
118.06499	100.0
119.08488	2.3
130.94574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0651
Annotation	Indole
Peak:m/z	Relative Intensity
51.02357	1.1
53.03735	1.5
53.03934	26.1
57.82208	1.4
63.88507	1.4
77.03897	3.9
87.94080	1.9
95.04928	68.9
97.22002	1.5
104.27280	1.5
105.04476	17.7
118.06502	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0863
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03949	0.3
53.07213	0.2
55.05497	11.0
56.96551	3.3
57.05805	0.3
58.02952	0.2
58.06579	9.7
59.07361	16.9
64.32756	0.3
68.41809	0.2
69.03404	4.5
70.06564	0.3
70.21147	0.2
71.04960	0.5
72.08126	63.3
74.98168	0.3
76.51540	0.3
76.55621	0.2
78.79218	0.2
79.01818	0.4
82.01410	0.4
82.06537	1.5
86.52634	0.3
87.04437	26.4
88.02336	3.0
95.04967	0.3
99.57616	0.2
100.02455	2.5
100.07576	9.4
109.82053	0.2
118.03467	2.1
118.08611	100.0
119.01836	0.3
122.34187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0754
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
51.37989	0.2
53.00293	1.6
53.03938	1.0
55.01859	5.6
55.05493	5.1
56.96549	9.5
57.03147	0.5
57.03421	10.7
57.03704	0.4
59.04989	1.0
59.52172	0.3
60.04473	0.2
64.32897	0.2
67.05481	4.5
68.52714	0.5
69.03413	3.8
69.07044	100.0
70.07381	0.5
71.02959	7.8
71.04971	1.8
71.53008	1.1
72.02829	2.2
72.93748	0.3
73.00033	0.3
73.06527	16.9
74.09676	0.4
74.93795	1.6
79.05463	14.5
80.03474	4.9
80.53519	1.5
81.03365	0.6
82.53770	0.5
84.01535	0.5
85.02864	0.3
87.00793	0.3
87.04456	0.4
87.94837	0.2
91.48129	0.2
91.54253	0.4
95.04942	1.5
97.02856	0.6
97.06496	63.0
98.06844	0.3
102.00613	0.2
103.00506	0.3
104.03066	4.6
105.37888	0.3
107.44534	0.2
113.03609	1.9
115.03889	1.4
115.07531	12.6
115.09449	3.2
115.96367	0.3
118.03478	0.4
128.00485	0.3
131.97404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0507
Annotation	Cytosine
Peak:m/z	Relative Intensity
55.01841	0.4
55.05491	0.3
56.05014	0.2
56.05827	0.2
56.96548	26.7
57.03415	1.8
58.96151	0.2
59.52161	0.3
59.96169	0.2
60.04490	0.3
60.95811	0.3
65.81312	0.2
67.01839	0.3
67.02962	0.3
67.51044	0.5
68.01349	0.4
68.05000	0.2
69.03409	1.7
69.04527	5.8
70.02918	0.6
70.06567	28.2
70.98091	1.4
71.02451	0.3
71.04948	0.2
71.94067	1.0
71.95249	0.2
74.97560	0.4
75.01014	1.1
75.03197	0.2
75.40321	0.2
76.51549	1.4
79.01812	0.3
79.52025	0.3
82.01113	0.3
83.04984	0.3
83.05611	0.9
83.06048	0.2
84.01536	3.4
84.04473	1.1
84.05644	0.4
84.06411	0.4
84.08108	0.4
85.02876	1.6
85.14032	0.2
85.52065	0.4
86.51776	0.5
88.02343	2.2
88.51559	0.5
88.52016	1.7
88.52519	1.2
88.99098	0.4
89.00210	0.9
89.00738	2.0
89.02144	0.3
89.03966	0.3
89.52308	1.3
91.00494	0.4
91.01635	0.4
91.48181	0.4
93.02035	1.2
94.04013	2.2
95.01380	2.6
95.02418	15.9
95.04912	0.3
95.52340	0.9
97.00900	0.3
97.50928	0.2
97.52050	1.8
97.52628	4.0
97.99142	0.9
98.00729	1.8
98.01258	4.9
98.51447	0.3
98.52795	0.4
98.97546	2.3
100.00970	0.4
100.02422	1.2
100.48710	0.6
101.00746	0.3
101.03966	0.2
102.50108	0.2
104.88511	0.2
104.90804	1.0
106.53179	0.3
107.00121	0.3
107.01802	0.4
109.02827	0.3
110.01214	0.5
110.03643	0.4
111.51741	0.2
112.05057	100.0
112.07573	4.1
112.11221	0.5
113.02353	0.9
113.03439	1.6
115.00606	0.3
116.00155	0.4
116.98586	2.4
117.95922	0.5
118.03520	0.9
134.99600	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03381	0.9
85.02860	3.3
97.02811	0.7
98.27806	0.7
104.53149	0.7
107.04919	1.4
109.02856	1.5
111.04392	1.0
119.04890	5.7
121.02814	29.4
135.04361	1.0
145.02803	2.9
147.04305	1.1
161.05911	0.8
163.03804	1.3
179.03311	1.5
185.58276	0.7
187.03819	0.9
189.01707	3.5
189.05493	0.8
191.03294	2.8
195.02727	5.8
201.05405	1.1
203.03340	11.8
205.04890	1.8
207.02808	7.7
215.03241	3.4
217.04884	3.7
219.02847	3.6
221.04395	5.6
227.03354	0.9
229.04845	4.5
233.04385	1.4
235.02065	0.7
239.06909	0.8
241.04854	1.4
243.02806	1.6
245.04301	1.3
255.02908	1.5
257.04443	1.3
259.05984	0.9
261.03732	0.9
265.04959	0.9
267.06418	2.9
268.07123	3.4
269.04489	1.2
269.07864	0.8
271.05777	1.0
273.03824	1.4
279.06476	4.2
280.07034	1.0
281.08032	3.9
283.05939	6.4
285.03833	1.3
293.07947	3.3
294.05188	14.2
294.08359	1.8
295.05905	83.5
296.06531	6.7
297.07346	5.8
305.07977	1.7
307.05914	52.5
307.09210	2.5
308.06656	17.0
309.03854	1.3
309.07397	15.1
313.06970	4.5
317.07907	4.0
319.05865	6.9
319.09299	1.3
320.06607	4.2
321.03671	1.8
321.07452	47.3
322.08160	12.9
323.05466	1.8
323.08859	8.8
325.06955	77.8
329.07861	1.2
333.07407	21.6
334.08154	1.6
335.05353	1.6
335.09000	15.9
336.06027	3.2
336.09756	1.1
337.06921	46.8
339.08316	2.4
345.07651	5.0
346.08359	1.4
347.09003	16.0
349.06912	54.4
349.10397	2.5
350.07419	3.8
351.04471	1.5
351.08478	22.9
352.08612	0.8
355.08084	4.7
357.07379	1.7
359.08902	3.7
361.06903	21.7
361.10968	1.5
362.07767	1.3
363.08481	11.8
365.10110	8.4
367.07996	8.4
373.06921	6.3
373.10794	0.9
374.07712	1.0
375.08487	15.6
377.06122	1.1
377.10352	5.0
379.07971	100.0
380.08209	3.2
385.06760	5.7
387.08447	5.7
389.10220	5.8
391.08038	22.4
393.09369	3.3
395.07309	0.9
397.09027	23.9
401.10031	3.2
403.07953	25.0
404.08084	1.2
405.09692	12.0
409.03815	1.3
409.09021	24.5
415.08810	9.2
417.09586	1.2
419.11368	7.9
421.09000	10.2
423.10403	0.9
427.10031	9.1
429.09241	4.2
433.03320	1.6
433.09009	40.4
439.10181	5.8
445.10068	18.1
447.10391	2.8
451.10040	24.4
452.10406	0.8
457.10974	22.1
463.10068	3.1
469.11169	43.5
475.10052	7.1
481.11169	12.0
493.11273	8.6
499.12146	39.4
511.12134	13.0
529.05847	1.4
529.13239	28.3
547.14276	78.9
548.14880	1.6
551.46082	0.8
565.15338	100.0
566.15326	3.7
768.30157	0.8
822.46991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05448	1.4
83.04941	2.8
89.03416	1.4
89.03870	12.1
93.03421	1.3
95.04923	1.5
107.04921	1.8
111.04380	2.2
117.03383	12.3
121.02828	7.3
134.03523	2.4
135.04375	32.2
139.03917	1.3
145.02812	22.9
163.03845	100.0
173.37683	1.3
185.99904	1.5
199.48674	1.3
199.97598	1.9
205.96504	5.6
223.97577	13.9
224.98335	2.3
232.97298	1.7
234.96742	13.2
235.97653	9.5
236.98387	1.8
247.93851	1.8
250.98383	7.5
251.97029	21.9
252.97871	56.5
253.98386	1.5
257.11429	1.5
268.97473	1.8
269.98029	10.5
275.97021	15.5
276.97845	1.7
277.98654	2.2
281.99554	1.9
285.99121	1.5
295.06091	4.2
302.99435	1.9
304.96716	1.5
321.99017	1.9
325.98660	2.5
328.00211	2.2
330.98978	2.1
336.97638	1.7
340.00159	2.5
343.99768	5.1
349.98560	12.7
350.99280	1.3
354.98889	2.0
363.00885	1.7
367.99582	2.0
371.99191	1.5
375.98502	2.5
377.98077	41.3
378.98590	1.7
383.98285	1.3
390.00156	2.8
395.98853	2.0
408.01306	8.2
409.01776	10.0
410.02731	1.8
426.02307	10.4
495.05402	2.0
514.04913	1.7
526.03748	2.1
555.07697	5.7
570.04346	12.4
572.06067	2.1
588.05408	2.9
600.07404	13.1
632.51318	1.4
760.09070	5.0
762.10553	27.2
780.11072	5.2
786.90771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03937	3.1
55.01600	0.8
55.01857	16.0
55.05495	58.1
56.96548	100.0
57.03432	0.6
58.50517	3.3
59.76242	0.4
60.04507	8.6
65.03922	8.8
67.05477	3.1
67.51041	17.1
68.01205	0.7
68.52677	0.6
69.03027	0.7
69.03403	22.2
69.04483	0.4
70.01286	2.6
70.06569	0.7
70.98080	0.9
71.01320	2.0
71.02952	0.8
71.53013	2.9
72.02824	3.7
74.97577	2.6
76.51554	46.8
77.00776	0.6
77.01738	0.6
78.52924	2.4
79.01819	37.4
79.51989	2.4
80.03461	1.0
80.53575	0.7
81.03345	3.5
82.05289	15.9
83.00737	0.4
83.01264	0.5
83.04951	67.8
83.06058	18.7
83.94606	0.4
85.02859	0.6
85.52077	29.9
87.53432	0.7
88.00491	3.1
88.02340	85.1
88.52502	2.9
88.99118	0.8
89.17580	0.4
90.52591	0.6
92.53597	0.4
93.02039	0.6
93.03349	2.2
94.52558	1.7
95.02398	0.5
97.00968	6.9
97.02846	15.8
97.53035	0.6
97.99135	2.7
98.97541	10.1
99.53096	2.0
100.02422	1.9
106.01456	0.9
111.04389	31.9
111.05514	37.9
111.09098	0.5
112.05058	3.8
115.96385	2.6
116.00154	0.8
116.97167	0.5
116.98560	8.1
118.03425	1.9
119.01894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03895	1.0
79.05460	35.8
80.56873	0.8
81.03426	1.4
81.06550	1.6
81.07025	36.6
83.04945	1.6
83.08581	5.7
85.06500	0.9
91.05448	27.6
93.07014	39.8
95.04939	11.5
95.08573	25.5
97.06506	1.8
97.10123	1.7
97.57031	0.9
103.05428	3.9
105.07008	13.5
105.89311	1.0
107.04871	1.0
107.08573	15.9
109.06422	1.2
109.10134	10.7
111.04427	1.2
111.08021	1.1
115.05421	5.5
116.08574	0.9
117.06971	6.1
119.08561	9.9
121.10095	13.3
123.04372	5.8
123.08032	1.2
123.11641	1.8
125.09557	1.3
127.05511	0.9
128.06119	3.3
129.06941	5.5
131.04893	3.7
131.08505	8.3
133.06470	1.6
133.10081	5.5
135.08003	1.7
135.11617	7.7
139.05383	1.3
141.06934	4.4
143.04887	1.8
143.08495	1.2
145.06439	4.3
145.10086	3.4
147.04364	6.1
147.11633	4.2
149.05933	8.2
149.09552	0.9
149.13226	1.8
153.06953	6.3
155.04892	1.6
155.08495	1.7
157.06462	7.1
159.11636	4.0
161.05923	23.4
161.13168	2.0
163.03870	4.5
165.06917	1.6
167.04855	4.5
167.08458	1.3
169.06404	7.3
171.04361	1.6
171.07988	4.2
173.05913	87.5
173.13234	1.1
175.03842	9.5
175.07471	9.3
175.62346	1.1
176.04645	1.3
177.05426	11.7
179.03276	1.2
179.08495	1.6
181.06418	14.4
183.04353	4.0
183.07974	4.8
185.05893	14.4
187.03831	5.2
187.07480	21.3
187.14711	1.2
188.04544	1.1
189.05460	15.3
189.07008	1.8
189.09062	1.5
189.11099	1.1
191.03329	1.4
191.06914	3.4
193.06445	3.5
195.04404	1.6
195.07973	6.9
195.11644	1.1
197.05899	16.3
198.06679	1.3
198.27339	0.9
199.03827	5.9
199.07474	26.1
201.05374	31.9
201.09065	5.3
202.06146	1.1
203.03455	1.1
203.06900	12.6
207.07922	1.2
209.05940	4.2
211.07468	17.3
212.08246	1.3
213.05415	33.6
213.08905	9.4
214.06117	1.1
215.03452	1.6
215.06967	15.3
217.04893	100.0
217.08466	4.6
218.05238	1.1
221.05853	1.6
221.09521	2.0
223.07477	4.8
223.11081	1.1
225.05437	13.2
225.08977	7.7
226.06070	4.7
227.06958	21.5
227.10461	3.0
229.04836	5.3
229.08537	4.6
231.06461	2.0
233.09435	1.3
235.07451	1.9
237.09067	4.4
239.06943	5.4
239.10472	1.3
241.04906	3.3
241.08446	1.7
241.12126	2.1
243.06500	5.7
247.11182	1.2
249.09036	2.0
249.12640	4.1
251.10654	1.4
253.08507	5.5
255.13760	2.1
257.07944	1.9
259.20441	1.8
261.22089	6.5
265.12137	9.0
267.10031	1.6
267.13651	7.0
275.10541	1.6
281.15411	1.3
283.13214	7.5
285.14743	6.3
291.13727	3.7
293.11588	5.6
295.13095	1.9
309.14661	7.6
311.09232	1.7
311.12677	24.1
313.14230	8.4
319.13095	2.0
323.16217	1.2
327.15793	7.6
329.13721	38.3
331.15280	3.6
335.25720	24.4
337.14255	15.7
339.15686	3.5
343.15421	1.5
355.15228	13.5
359.18268	1.9
363.05020	1.1
373.16251	1.4
385.16333	38.3
387.17880	4.9
403.17444	7.3
411.17807	6.5
417.19046	1.4
429.18933	21.0
447.20111	1.8
461.21643	26.4
559.20123	1.2
569.72711	1.0
597.34619	1.4
635.26160	1.1
645.37207	6.7
653.27167	3.8
663.38672	37.4
665.39667	1.5
671.39569	7.1
689.40295	24.2
695.40485	1.3
703.41376	1.5
707.41309	28.0
721.42719	8.6
739.31171	1.8
739.43945	54.3
740.43756	1.1
775.37152	1.2
895.47601	1.3
913.48737	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	1094.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05464	27.9
80.92428	1.4
81.03425	2.8
81.07027	28.1
83.04949	7.1
83.08574	3.6
85.02874	1.6
91.05436	46.8
92.08659	2.8
93.07010	29.6
95.04933	10.4
95.08561	19.2
97.06520	2.2
101.62560	1.7
103.05408	2.0
105.06998	44.3
107.04912	2.6
107.08550	15.1
109.10123	8.2
111.04395	1.9
115.05416	6.9
116.04331	1.4
117.06976	14.0
119.08542	34.2
121.06501	1.6
121.10101	10.9
121.56268	1.6
123.04393	2.4
128.06165	2.8
129.06949	16.4
131.04955	1.9
131.08530	21.4
133.10083	25.0
135.11670	5.4
141.06937	6.7
143.08524	10.1
145.06447	7.1
145.10103	20.9
147.11641	17.3
149.09531	2.7
149.13249	2.2
153.06978	8.5
155.08524	6.3
157.06471	2.1
157.10095	7.9
159.11665	11.0
161.05931	18.0
161.13174	11.0
163.03864	19.3
163.11140	4.0
165.05396	2.7
165.06892	2.4
167.08530	3.1
169.06389	6.8
169.10033	2.1
171.04324	2.1
171.11658	3.6
173.05916	100.0
173.09459	2.6
173.13173	3.7
175.03889	3.1
175.07513	7.9
175.14749	3.6
177.05428	2.5
179.08438	2.5
181.06477	9.8
183.08051	2.3
184.07332	2.2
185.05852	12.1
185.13245	3.7
187.03876	3.3
187.07475	26.9
189.05434	11.0
195.07951	6.2
197.05859	15.0
199.07501	25.3
201.05402	34.7
203.07086	1.8
209.05904	3.0
211.07478	16.7
213.05417	35.2
213.09001	12.0
215.06984	10.8
217.04884	75.2
218.87294	1.7
219.07964	2.0
221.66147	1.7
223.07469	6.5
225.05412	6.8
225.09085	4.0
226.06259	6.8
227.07030	14.4
229.04938	11.8
237.09120	1.7
239.06888	3.3
241.04861	3.9
241.08453	2.4
241.19434	11.0
243.06435	3.9
249.08913	1.9
249.12727	2.3
251.10716	2.1
253.12134	2.2
257.18930	7.7
259.20563	22.1
265.12231	3.0
267.13745	7.0
281.15250	2.4
283.13156	2.5
285.14835	6.5
291.13693	2.9
301.12274	1.8
309.14832	3.7
311.12723	14.6
313.14297	11.1
327.15836	7.6
329.13702	44.8
333.24072	17.1
337.14157	10.4
339.15805	2.2
347.14752	2.5
353.13635	2.4
355.15298	14.4
373.16400	10.5
385.16315	25.9
403.17435	7.9
411.17755	3.0
429.18973	36.1
431.20224	2.0
447.19946	3.1
567.34351	2.2
569.31775	2.7
595.33905	3.2
613.35217	4.0
619.45135	1.9
621.25104	8.0
643.36090	10.7
659.39160	11.8
661.37036	19.2
669.37170	10.7
677.40222	6.3
687.38635	52.4
705.39764	48.6
879.44470	22.6
890.61951	1.9
897.45325	3.9
1042.46497	2.0
1100.55078	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05441	2.5
81.03393	1.1
81.07018	3.0
85.02872	2.0
86.09687	1.2
91.03935	0.6
91.05460	1.8
92.08722	0.5
93.07009	1.9
95.04974	0.3
95.08576	2.0
97.02847	2.9
99.04442	0.5
101.02384	1.2
103.03967	0.3
105.07024	0.7
107.08578	1.2
108.47387	0.3
109.10147	0.6
111.04411	0.3
115.05489	0.3
119.08592	0.4
121.10136	0.6
125.00005	1.0
125.83453	0.3
127.03905	0.7
131.08556	0.5
133.10124	0.3
135.11673	0.5
141.07115	0.2
147.11694	0.3
157.06433	0.4
163.03937	1.2
173.05965	2.3
174.06406	0.4
181.06532	0.3
184.07286	2.9
185.04256	0.3
185.05978	0.4
199.07607	0.5
201.05420	0.5
211.07561	0.3
213.05521	1.4
213.09186	0.3
217.05069	0.5
218.19287	0.3
219.05040	0.4
220.66298	0.3
225.05472	0.4
227.07013	0.6
227.13420	0.3
230.97681	0.3
243.08528	1.2
259.07675	0.4
337.14008	0.3
343.13910	0.4
413.15503	5.5
469.18481	1.6
519.29236	4.5
541.20325	0.5
569.19458	2.5
625.22742	0.5
631.23438	6.1
787.27979	1.7
805.28497	1.4
909.45447	3.1
1065.48608	3.2
1083.50964	100.0
1084.51270	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	1083.511
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60526	0.2
79.05486	3.1
81.03420	1.1
81.07027	4.5
81.07418	0.3
81.21790	0.2
82.07381	0.2
83.08598	0.4
85.02882	3.4
86.09705	0.4
88.86332	0.3
91.03915	1.9
91.05442	2.3
93.07014	3.6
95.04967	0.4
95.08571	3.1
96.25950	0.2
97.02859	3.9
99.04456	0.9
101.02390	1.1
105.06997	1.8
107.08579	1.8
109.02853	0.4
109.10162	1.3
112.55788	0.2
117.06989	0.7
119.08589	1.0
121.10160	1.4
123.11705	0.3
124.99988	0.5
127.03960	1.1
131.08571	0.4
133.10159	0.5
135.11664	0.5
145.10158	0.5
147.11763	0.4
149.13298	0.3
163.03963	0.3
173.06041	1.5
174.06346	0.3
184.07263	1.6
185.04285	0.5
187.07507	0.4
189.05440	0.2
197.04007	0.2
199.07617	0.3
201.05498	0.3
203.05286	0.2
213.05545	0.4
217.05049	0.5
227.07011	0.4
243.08461	0.9
276.92764	0.2
301.20230	0.2
335.25848	1.1
369.16504	0.4
395.14685	1.0
410.64291	0.2
413.15582	6.2
431.19266	0.3
469.18350	0.5
494.46268	0.2
519.29150	6.6
541.20532	1.4
569.19666	3.5
587.20770	2.5
631.23175	3.0
649.24780	0.3
747.40466	0.4
787.27228	0.4
805.28430	0.4
909.46155	2.1
1037.50696	0.9
1065.49780	3.7
1083.51038	100.0
1084.51672	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	1080.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06508	0.2
79.05444	1.0
79.18715	0.2
83.04946	5.7
85.02866	1.9
89.03881	7.5
93.03359	2.5
95.04931	2.7
96.40402	0.2
99.00771	2.2
107.04930	2.4
111.03668	0.4
111.04405	9.7
117.01861	0.3
117.03339	5.7
121.02816	1.6
123.04368	1.3
129.05441	4.2
135.04373	16.7
137.02284	0.5
139.03851	4.4
143.00108	1.1
145.02812	13.5
145.03952	0.5
146.03215	0.3
150.61459	0.2
157.04909	2.8
161.01172	1.3
163.03845	100.0
164.04173	2.3
175.05933	1.0
177.06932	0.3
181.06470	1.0
185.01094	0.3
189.00685	0.5
195.07974	0.3
199.01088	0.2
203.03424	0.4
205.06479	2.1
213.00699	1.0
214.01193	0.2
221.05968	1.9
222.06133	0.4
223.07466	2.3
231.01675	0.5
233.05969	2.0
235.07416	0.4
237.00629	0.4
237.05478	0.3
249.02681	1.0
249.05376	2.4
250.05838	1.1
251.06929	5.6
252.07240	0.3
255.01605	1.0
261.05316	1.3
267.06485	0.4
269.07983	3.5
273.03018	0.7
273.05975	1.7
277.04678	0.9
279.06454	6.8
283.05743	0.5
289.04681	0.3
295.05893	7.0
296.06256	2.1
297.07422	4.8
307.05853	2.6
313.06744	0.3
323.05420	1.0
325.06851	3.5
337.09271	0.4
343.08017	0.3
355.10175	7.8
359.04279	0.4
369.02582	0.4
371.04111	0.4
387.03833	1.0
397.02103	0.9
401.10413	0.3
405.04935	0.5
415.03165	1.0
447.11176	13.8
499.05396	0.4
499.12216	7.4
517.13135	2.5
549.10773	0.3
550.11047	1.4
550.60626	0.3
551.11914	0.8
691.18164	1.5
718.15826	0.3
726.14966	0.4
726.65027	1.2
727.15466	0.4
763.12646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
75.97786	0.6
77.03890	0.5
79.05455	26.7
81.03392	3.2
81.07022	25.2
83.04942	4.0
83.08593	3.5
85.06511	0.9
91.05442	21.5
93.07002	25.3
95.04926	8.9
95.08567	19.3
97.06490	1.4
97.10129	1.1
103.05408	1.2
105.04486	1.2
105.07001	11.6
107.04910	3.8
107.08570	12.8
109.06516	0.7
109.09503	0.6
109.10138	7.9
111.04409	2.8
111.07957	0.6
115.05383	3.9
116.06127	0.9
117.06980	5.6
119.08533	10.1
121.02784	1.1
121.06449	0.9
121.10088	9.7
122.68752	0.6
123.04364	4.6
123.08015	1.1
123.11646	1.4
125.09550	0.6
127.05444	0.7
128.06169	1.2
129.06941	5.5
131.04883	0.8
131.08525	8.6
133.06458	1.2
133.10095	6.8
135.04373	0.6
135.11665	6.6
137.09599	0.9
139.05342	0.9
141.06932	3.4
143.04893	0.8
143.08556	1.2
145.06459	4.2
145.10069	6.5
147.04379	3.6
147.11658	3.1
149.05966	2.4
149.09563	3.0
149.13168	2.5
153.06960	6.1
155.04930	2.1
155.08514	2.8
157.06415	6.2
157.10066	1.2
159.04398	0.9
159.11621	2.3
160.05084	1.0
161.05899	15.7
161.13205	2.5
163.03860	11.9
163.11130	3.3
165.05449	2.5
165.06918	4.2
167.04851	0.9
167.08517	3.0
168.05592	0.6
169.06395	5.2
169.10149	0.8
171.04341	3.2
171.08025	2.2
173.05910	88.0
173.09615	3.9
173.13065	0.6
175.03819	4.1
175.07423	6.9
175.11121	0.8
177.05408	2.2
179.08499	2.2
181.06438	10.7
183.04297	1.0
183.07999	3.0
184.05092	1.4
185.05896	11.3
185.12976	0.7
187.03883	6.2
187.07468	24.2
187.14638	0.8
189.05363	9.4
189.09103	0.9
191.03352	1.0
191.10619	3.2
193.06418	1.3
193.09962	0.7
194.07230	0.7
195.08002	5.6
197.05905	12.9
198.06691	1.1
199.03760	5.4
199.07478	24.4
199.14667	0.7
200.04688	3.9
201.05389	36.0
201.09061	3.3
202.05742	0.6
203.06990	2.3
205.43320	0.6
207.08122	0.9
209.05956	1.4
209.09557	0.8
210.06676	1.2
211.03886	1.2
211.07463	14.5
212.04622	1.2
212.08156	0.7
213.05391	48.9
213.08827	10.9
214.05775	0.9
215.03445	0.7
215.06985	8.0
217.04881	100.0
218.05118	0.9
219.08018	0.8
219.11752	0.9
221.05849	1.3
221.09505	0.9
221.24689	0.7
223.07481	4.0
224.08200	1.0
225.05409	9.4
225.08934	5.9
226.06151	3.4
227.03250	3.1
227.06932	13.4
227.10542	1.0
228.07530	0.8
229.04840	13.1
229.08463	1.4
231.08188	0.9
235.07339	2.3
236.08179	0.8
237.09090	2.1
238.06114	0.7
239.06866	6.0
239.10603	2.3
241.04843	1.4
241.08536	4.2
241.12006	2.0
243.06429	3.4
243.21011	3.1
249.09059	2.4
249.12682	2.3
250.09917	1.0
251.06737	0.8
251.10559	1.4
252.07535	0.6
253.08490	2.8
255.13742	2.8
257.07950	0.7
257.15131	0.9
259.20471	1.4
261.22058	7.6
263.06906	0.7
263.10382	0.9
263.14124	1.0
265.12051	4.2
267.13702	4.9
273.07486	2.3
273.12543	1.2
275.10425	1.0
277.12082	0.8
281.15247	2.8
283.13248	5.9
285.14545	4.0
291.13770	5.0
293.11606	2.2
295.13223	2.4
297.14926	0.6
299.16367	1.1
301.11978	1.4
309.14731	6.9
311.12650	21.2
311.15915	1.3
312.13101	0.7
313.14240	9.5
316.20657	0.6
317.17358	0.8
317.24875	0.9
319.13187	3.0
327.15784	8.2
329.13678	55.0
330.13989	0.9
335.25668	19.0
337.14221	24.6
337.18216	1.0
339.15677	3.1
347.14810	1.3
355.15259	20.9
357.16696	1.0
373.16266	6.3
385.16287	54.3
387.17831	0.7
403.17279	8.2
411.17810	19.6
411.83499	0.6
413.19424	1.3
429.18912	43.6
430.19296	0.7
431.20480	0.8
447.19690	3.4
485.17657	2.8
503.18625	1.1
529.20392	3.3
571.33777	0.9
589.34857	0.9
597.35028	2.0
603.24091	1.3
615.36572	2.5
621.25214	9.7
645.37512	8.5
661.40247	3.8
663.38672	19.8
671.39337	6.8
689.40216	28.3
690.40918	1.2
707.41309	38.1
708.41180	1.1
772.07727	0.8
837.43378	1.1
863.44940	4.3
881.46649	22.1
882.45880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03864	0.4
79.05459	34.6
81.03384	3.5
81.07026	33.2
83.04955	4.2
83.08594	4.3
85.06497	1.7
89.03895	0.6
89.18285	0.4
89.20659	0.5
91.05443	28.3
93.07004	33.5
95.04927	11.5
95.08564	24.4
97.06496	1.8
97.10109	2.3
99.08048	0.8
101.60954	0.4
103.05399	1.0
105.03371	0.5
105.04514	1.5
105.06989	13.7
107.04920	4.2
107.08560	14.4
109.06464	1.0
109.10124	10.7
111.04395	0.9
111.08038	0.8
112.57350	0.4
115.05386	5.4
117.03330	0.5
117.06968	6.5
119.08540	11.0
121.06420	0.5
121.10108	11.8
123.04379	4.0
123.08011	1.6
123.11615	1.7
125.09565	0.8
128.06160	0.9
129.06960	5.1
130.07790	0.5
131.04897	1.8
131.08507	8.8
133.06506	1.0
133.10097	8.3
135.04323	1.9
135.08052	0.7
135.11649	6.6
137.02185	0.5
137.09552	1.8
139.05345	2.2
141.06927	3.6
143.04883	1.0
143.08531	2.2
145.06429	4.8
145.10088	7.2
147.04366	2.1
147.11659	4.3
149.05956	2.7
149.09566	2.1
149.13200	2.3
152.06160	1.8
153.06966	6.7
155.04826	1.9
155.08543	1.7
157.06416	4.0
157.10057	0.9
159.07982	1.7
159.11633	3.0
161.05927	15.6
161.13275	0.9
163.03857	12.5
163.11165	3.7
163.14778	0.9
165.05411	3.2
165.06944	3.3
166.97443	0.6
167.04802	1.6
167.08501	2.9
169.06381	4.9
169.09985	0.6
171.04301	3.6
171.07925	2.2
171.11543	0.6
173.05917	97.5
173.09544	2.6
173.13187	2.4
174.06200	0.7
175.03838	5.4
175.07460	6.7
175.11139	0.7
175.14627	0.6
177.05392	3.3
178.07770	0.5
179.08496	3.3
181.06409	11.1
183.04376	2.0
183.07925	3.7
184.05106	0.9
185.05927	11.3
185.09605	0.6
187.03854	5.3
187.07471	21.9
187.14879	0.7
189.05391	8.5
189.09007	1.0
191.03348	1.0
191.10583	2.2
193.06425	2.4
193.10030	0.6
195.08014	6.2
197.05919	14.6
197.09624	1.7
198.06706	1.9
199.03836	6.6
199.07478	28.2
200.04601	2.6
200.07982	0.6
201.05408	44.5
201.08882	3.6
203.06987	4.2
203.08569	0.5
204.09378	0.5
207.07953	2.1
208.08708	0.5
209.05943	2.0
209.09375	0.9
210.06680	1.0
211.04106	0.5
211.07483	14.0
212.04642	0.7
212.08238	1.9
213.05405	49.4
213.08853	11.0
214.06004	1.0
215.03296	0.9
215.06960	10.1
217.04892	100.0
218.05258	0.9
219.08012	0.8
220.08568	0.5
221.05904	2.2
221.09503	1.0
221.13010	0.7
223.07497	5.0
224.08121	0.6
225.05421	7.8
225.08989	5.7
226.04117	0.5
226.06020	4.0
227.03468	3.9
227.06943	14.5
227.10571	2.7
229.04883	16.3
229.08531	1.9
231.06285	1.0
235.07469	3.0
235.10980	0.6
236.08191	0.7
237.05243	0.6
237.09117	3.3
238.06073	0.9
239.06906	6.8
239.10594	2.0
241.04886	2.9
241.08482	3.4
241.12195	2.0
241.19481	0.9
243.06355	4.6
243.20970	2.2
247.07411	0.5
249.08983	2.1
249.12669	2.7
250.09756	0.7
251.06926	0.8
251.10596	2.1
252.07690	0.6
253.08449	3.6
253.12105	0.6
255.13763	2.1
257.15237	1.9
259.20450	2.8
261.22031	7.8
263.06827	0.6
263.10681	0.5
263.13873	1.4
265.12057	5.2
267.13663	8.4
269.15143	0.8
273.07358	1.6
273.12286	0.8
275.10596	2.4
277.12213	0.9
281.15268	2.9
283.13300	5.9
285.14749	5.2
291.13712	3.6
293.11609	2.7
295.13068	1.9
299.16388	0.8
309.14777	9.1
311.12674	26.3
311.16071	2.0
313.14227	13.8
317.17325	0.9
319.13245	2.3
327.15829	9.1
329.13715	55.9
330.14084	1.0
333.24033	0.9
335.25681	32.3
336.26175	0.5
337.14194	21.5
339.15836	1.0
347.14670	1.6
355.15250	23.5
357.16730	0.8
359.18564	0.6
373.16266	7.7
385.16309	60.2
386.16815	1.6
387.17972	1.1
403.17361	14.5
403.22269	0.5
411.17834	15.8
427.17389	0.8
429.18945	42.2
430.19495	0.7
447.20129	5.7
485.17978	2.1
503.18570	0.6
529.20367	2.7
571.34003	0.7
579.33453	0.7
587.36444	0.5
589.35065	0.7
597.35254	1.7
603.24005	1.0
621.25275	6.2
633.37207	0.7
645.37524	6.9
661.40277	1.9
663.38715	38.4
664.38556	2.0
671.39294	6.4
679.41193	0.8
689.40222	37.4
690.40326	2.2
707.41309	57.9
708.41205	3.0
819.43024	0.8
837.44287	3.2
863.45142	2.8
881.46558	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	1066.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07002	0.3
86.09673	44.3
87.09991	0.5
98.98424	8.0
104.10694	4.0
124.99955	35.1
139.41257	0.2
143.01009	0.9
157.52255	0.2
163.34138	0.2
184.07274	100.0
185.07669	1.6
250.02394	0.2
444.48468	0.2
465.12057	0.2
647.83344	0.3
1048.51416	0.4
1065.53259	1.1
1066.54553	24.4
1067.54614	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05454	0.2
81.07016	0.2
86.09676	44.4
87.10014	0.4
87.53512	0.1
95.08524	0.2
98.98425	8.4
104.10705	4.9
105.55682	0.1
116.99452	0.2
119.43616	0.2
120.84277	0.1
124.99962	35.6
143.01027	0.8
152.14381	0.2
184.07281	100.0
185.07622	1.6
236.16031	0.2
243.53445	0.2
388.12177	0.2
530.58246	0.2
874.47961	0.8
1048.52051	0.2
1057.54529	0.2
1065.53125	0.7
1066.54602	24.8
1067.54297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.53903	0.2
52.21364	0.2
53.37007	0.2
54.80880	0.2
56.30802	0.2
65.03568	0.3
65.03914	7.9
67.05478	2.1
68.92573	0.2
79.05457	12.8
91.05443	92.9
92.05735	0.3
92.06238	2.0
93.36370	0.2
95.04918	1.0
95.94071	0.2
97.86388	0.2
102.56311	0.2
105.06994	41.0
106.04131	0.5
106.07329	0.3
107.04912	1.5
107.08555	100.0
108.08903	0.4
109.06480	30.9
109.47293	0.3
110.67771	0.2
119.05154	0.6
119.06022	13.9
120.68323	0.2
124.05142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.532
Annotation	Unknow
Peak:m/z	Relative Intensity
74.31030	0.3
79.05415	0.3
81.07011	0.4
86.09677	42.9
95.04960	0.3
95.08525	0.3
98.98431	9.0
104.10702	3.4
124.99957	35.1
127.31940	0.3
143.01022	0.6
163.03831	0.3
164.79834	0.3
172.59633	0.3
184.07278	100.0
208.08638	0.3
219.75385	0.3
242.00328	0.3
247.77077	0.3
654.95673	0.3
913.67328	0.3
1064.53015	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	1064.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06994	0.5
86.09677	46.4
91.05424	0.6
93.06959	0.5
95.08560	0.4
98.98434	7.2
99.90130	0.3
104.10694	4.7
113.02766	0.4
119.08516	0.6
124.99962	35.0
143.00964	0.4
163.03918	0.5
173.05853	0.5
184.07285	100.0
185.07565	0.5
217.04851	0.5
236.54500	0.3
313.19513	0.3
389.36252	0.4
404.55667	0.4
495.68961	0.5
1064.53052	24.8
1065.53662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
84.98695	0.7
85.85217	0.7
86.09680	47.4
86.52627	0.7
92.09314	1.0
93.48383	0.8
98.98441	9.6
104.10719	4.5
104.73165	0.7
104.92381	0.7
112.85600	0.7
124.99963	35.4
125.00886	1.2
132.62483	0.8
133.08620	0.7
142.99411	0.7
163.03859	1.0
184.07291	100.0
189.44296	0.8
406.07025	0.8
437.65634	0.8
474.32474	1.0
572.97803	0.7
915.79108	1.0
1064.52942	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	1064.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05469	0.9
83.04951	1.4
85.02876	0.3
89.03874	5.7
91.05442	8.9
91.06021	0.3
93.03329	0.3
95.04930	0.5
107.04898	2.0
108.66943	0.2
111.04414	1.3
117.03333	6.9
119.04903	21.7
120.59751	0.2
121.02800	1.0
122.49541	0.2
123.04384	0.3
124.92156	0.2
129.05403	0.4
135.04364	17.2
136.04686	0.3
139.03853	0.9
145.02803	14.8
147.04366	94.2
148.04712	1.1
157.04941	0.3
163.03841	100.0
164.04193	1.9
165.05370	0.2
234.06354	0.2
251.06889	0.4
263.06754	0.2
267.06357	0.3
273.05853	0.3
279.06378	0.8
295.05865	0.9
303.08667	0.2
309.07425	0.3
319.07892	0.3
320.16315	0.2
321.09482	1.3
325.06763	0.4
337.08899	1.1
339.10638	6.7
355.06476	0.3
355.10196	5.2
447.11060	0.3
458.97018	0.2
483.12686	9.9
501.13293	1.1
663.15460	0.2
803.98730	0.3
1076.20032	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05000	0.4
79.05455	12.1
81.03381	37.9
81.07019	10.8
82.55451	0.2
83.04950	3.8
83.08126	0.4
83.08582	7.2
84.32964	0.2
85.02861	0.5
85.06496	1.0
89.03824	0.3
91.05435	14.8
93.03357	0.3
93.07001	7.0
95.04332	0.5
95.04922	14.7
95.08561	5.2
97.02824	1.6
97.06493	2.3
97.10139	2.0
99.08045	0.3
102.97578	0.2
103.05410	1.3
103.99332	0.2
105.04459	0.3
105.06992	11.1
107.04214	0.4
107.04915	8.1
107.07986	0.3
107.08560	4.0
109.02811	0.5
109.06486	6.3
109.10099	1.9
111.04410	2.2
111.08060	2.1
114.03071	0.3
115.05401	4.0
117.06966	3.3
118.35056	0.3
119.04866	0.6
119.08532	8.0
121.02798	1.3
121.06442	2.8
121.10084	3.2
123.04376	3.8
123.08004	1.8
125.09562	1.1
128.06190	1.2
129.06952	7.7
131.04875	1.5
131.08525	5.9
133.06415	2.8
133.10049	3.3
133.84209	0.3
134.10381	0.2
135.04361	1.7
135.08008	1.8
135.11620	1.4
137.05928	1.1
137.09608	0.5
139.03810	0.5
139.05373	1.1
141.06963	3.0
142.07689	2.0
143.04819	1.3
143.08495	1.8
145.06467	3.0
145.10078	4.4
147.04346	2.2
147.08011	2.1
147.11632	3.3
149.05920	1.4
149.09578	4.2
151.03839	1.0
153.06934	4.4
155.04874	1.5
155.08510	1.9
157.06421	2.4
157.10063	5.6
159.07959	0.5
161.05917	12.2
161.09547	0.3
163.03848	7.5
163.07480	0.4
163.11090	3.6
165.05396	2.1
165.06932	1.0
165.12695	0.5
167.04810	1.1
167.08516	2.4
169.06433	2.3
169.10120	0.3
171.04271	0.4
171.07997	1.5
173.05908	77.4
173.09526	2.7
174.06288	1.4
175.03857	2.8
175.07465	5.2
175.11086	3.6
177.05380	1.7
179.08438	1.1
181.04980	0.4
181.06424	6.2
183.04294	0.3
183.07997	1.9
185.05916	5.7
185.09435	0.4
187.03827	2.4
187.07466	16.3
189.05360	6.6
189.09035	1.4
191.03288	1.7
191.08978	0.2
191.10591	2.4
191.14220	1.6
193.06470	1.2
193.10309	0.5
193.12163	9.5
195.07971	3.8
197.05894	6.8
197.09604	0.5
197.17056	0.3
198.06642	1.2
199.03735	0.6
199.07466	21.4
200.04527	0.3
200.08133	0.5
201.05391	28.5
201.09003	2.3
202.05872	0.5
203.06946	1.9
203.08641	0.4
205.12012	0.3
206.07208	0.3
207.08040	2.0
209.06047	0.6
209.09546	0.5
209.13150	0.3
210.06653	1.4
211.07463	9.4
211.13141	0.5
212.08237	0.6
213.05423	11.3
213.08984	10.0
214.05978	1.0
215.03496	0.4
215.06929	6.5
215.10529	0.4
217.04881	100.0
218.05264	1.5
219.08000	1.0
219.11644	0.6
219.13718	11.3
221.09509	1.4
223.07457	4.4
223.13113	0.5
224.08229	0.5
225.05431	5.7
225.08891	3.7
226.06081	1.1
226.09737	0.3
227.03494	0.4
227.06952	9.2
227.10385	2.1
229.04872	11.9
229.08467	1.2
231.06392	1.6
234.06572	0.3
235.07428	1.5
235.11026	0.4
237.05241	0.5
237.09004	1.5
239.06937	3.7
239.10570	1.2
240.07526	0.3
241.04909	2.5
241.08476	2.1
241.12117	1.1
243.06406	3.1
245.11546	0.5
247.11041	1.0
248.08243	0.4
249.09125	2.1
249.12595	1.9
251.06845	1.5
251.10611	0.9
252.07600	0.4
252.11270	0.4
253.08475	1.7
253.12054	0.5
255.06436	0.4
255.13751	2.2
257.15256	1.9
261.08829	0.4
263.12460	1.8
264.07718	0.4
265.08521	1.0
265.12137	4.4
267.09714	0.3
267.13535	3.6
267.15829	12.1
273.07486	1.4
275.10526	1.5
275.16086	0.3
277.12106	0.4
281.15250	2.4
283.13144	4.6
284.71921	0.3
285.14639	2.6
291.13727	2.1
293.11505	2.0
293.17368	0.6
295.13095	0.6
299.16223	1.4
309.14664	3.4
311.12650	23.0
313.14194	8.5
317.17450	0.5
319.15561	1.0
323.16354	0.6
325.14227	0.3
327.15771	4.9
329.13699	55.6
330.13809	0.9
337.14041	5.4
347.14716	2.7
355.15228	12.2
356.15887	0.4
363.15759	0.4
373.16382	3.8
377.17279	0.5
385.16293	64.4
386.16708	1.1
387.17847	1.4
401.19470	0.4
403.17407	7.0
411.17911	1.8
421.16312	0.3
429.18909	18.9
430.19211	0.4
447.19928	3.0
475.24875	0.4
485.17819	2.0
485.23901	0.3
501.26025	1.3
503.18097	0.5
503.24493	1.0
511.25015	0.4
521.25592	0.3
529.26801	2.4
547.27264	2.5
559.21118	0.5
565.27777	0.5
575.30035	0.4
577.28784	3.5
593.31195	2.3
595.28741	20.8
603.29443	12.0
611.31183	0.3
621.30884	35.6
622.30243	1.2
639.31384	24.7
640.31891	0.4
751.33032	0.3
759.33514	0.4
767.35132	0.3
769.34070	3.3
777.33917	0.5
795.35370	4.0
813.36554	26.0
814.36035	0.4
831.37775	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.525
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05459	64.2
81.03374	13.1
81.07024	66.0
83.04945	4.2
83.08574	2.5
85.64568	1.6
91.05441	48.6
93.07008	59.4
95.04922	14.1
95.08567	32.0
97.06483	2.5
97.31520	2.2
103.05355	1.9
105.06992	22.4
107.04933	3.6
107.08554	23.8
109.06461	7.5
109.10120	12.9
115.05410	3.5
117.06970	11.7
119.08543	19.8
121.06463	3.4
121.10091	18.9
123.04356	2.6
123.07996	2.7
128.06076	2.0
129.06923	3.8
131.08522	14.4
133.06404	2.1
133.10052	7.7
135.07967	3.7
135.11630	8.4
137.28314	1.9
141.06917	3.2
143.08513	2.6
145.06421	4.0
145.10065	8.5
147.04301	3.0
147.11646	2.6
149.09599	2.2
149.13217	3.9
153.06894	3.2
157.06384	8.9
157.10001	2.7
159.11569	3.0
161.05954	18.2
163.03851	20.9
163.07532	2.5
165.06915	8.1
165.08995	3.6
167.08507	2.2
169.06412	3.6
171.04318	4.0
173.05919	100.0
173.07442	3.4
173.13243	3.7
175.03824	7.8
175.07416	2.2
178.07758	2.5
179.08603	3.5
181.06407	12.4
181.09984	2.6
183.07970	3.8
184.05275	2.4
185.05934	13.4
187.03809	4.1
187.07466	20.6
189.05389	15.0
189.09088	2.2
191.08495	2.6
193.06387	2.4
193.10033	13.1
195.08057	2.6
197.05954	25.3
198.06647	15.9
199.03841	18.5
199.07503	17.4
200.04622	9.9
201.05383	47.1
203.06808	2.5
203.08536	3.8
207.07991	2.4
207.11615	2.9
209.05829	2.2
209.09509	3.8
210.06636	4.0
211.07513	22.5
211.11075	3.1
212.04745	2.2
212.08278	2.6
213.05402	48.5
213.09045	7.9
215.03313	8.5
215.06972	10.0
217.04901	62.1
217.10184	2.4
219.08044	4.4
221.09558	25.5
223.07358	2.4
225.05458	15.4
225.09077	4.4
227.03305	10.6
227.06947	12.2
227.10599	3.3
229.04784	15.7
235.07419	2.6
235.11105	12.6
237.09058	11.8
239.06934	10.9
239.08260	2.1
239.10561	40.8
241.04887	9.5
243.06378	3.0
245.09547	6.6
249.08936	3.9
253.12173	16.0
255.10126	8.3
257.11676	3.2
261.22040	8.3
263.07233	2.5
263.10635	9.1
265.08466	8.6
267.10104	11.8
277.11508	1.9
281.11563	32.1
283.09558	73.7
285.11133	3.5
291.10104	11.1
299.12634	10.2
301.10577	36.3
307.22424	2.7
309.11108	21.5
311.12833	2.6
317.24411	2.8
319.11749	3.5
327.12173	23.8
335.25714	21.8
337.14102	7.9
345.13068	16.1
355.15387	7.2
357.13177	24.8
359.14651	2.2
363.75497	2.0
375.14215	18.0
383.10211	2.5
383.14563	19.0
401.15817	45.7
411.17810	2.1
419.16858	4.5
429.18854	12.7
454.32047	2.2
511.50085	2.8
593.21863	7.0
617.34296	9.6
633.37378	2.7
635.35614	46.1
643.35638	12.2
661.36981	63.8
679.27435	3.7
679.38202	79.2
785.60339	2.2
853.43250	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	1050.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05454	64.4
81.03384	31.7
81.07027	49.9
83.04929	4.0
83.08591	3.7
86.09641	3.6
91.05445	44.9
92.08765	2.6
93.07004	73.0
95.04937	16.8
95.08569	32.0
103.05424	2.7
105.06998	35.7
107.08577	21.7
109.10130	17.2
117.06988	9.2
119.08517	25.1
121.06461	2.4
121.10104	30.6
123.11629	4.1
124.99940	3.9
129.06949	5.7
131.08508	17.2
133.02844	3.2
133.10081	16.4
135.04361	4.4
135.11696	8.8
137.09558	2.8
141.06961	2.5
145.02870	3.4
145.06433	4.5
145.10075	5.0
147.04372	4.5
147.08022	2.6
147.11615	12.4
149.09540	9.5
149.13264	4.0
157.06465	3.9
157.10155	3.1
159.04367	25.6
159.11618	3.2
161.02299	16.1
161.05975	3.6
163.03838	64.7
165.06929	2.4
165.12698	2.9
169.06454	4.1
173.02263	34.6
173.05887	4.8
173.13112	3.3
175.03816	5.8
175.11136	3.6
184.07397	8.3
185.05923	5.5
187.03862	45.4
193.12172	5.3
197.05940	5.6
199.03900	28.0
199.07419	2.7
201.05385	9.7
202.05481	2.5
203.03398	5.7
213.05434	42.5
213.16438	2.6
215.06897	2.5
217.04811	3.1
219.71259	2.5
223.07468	2.6
225.05476	9.5
227.06931	9.0
229.04900	3.5
231.17291	2.7
239.06903	3.5
253.08360	2.7
267.13727	18.8
283.13235	5.3
293.11551	11.3
307.22559	11.1
311.12653	9.6
327.15891	4.0
335.26099	2.9
337.14294	5.7
355.15210	14.6
401.15677	3.7
429.18985	92.9
430.18546	2.9
431.20642	3.0
587.33234	4.7
621.25067	3.1
643.35925	10.1
651.38287	13.6
661.26849	4.1
661.37067	68.2
679.27240	4.0
679.38202	100.0
680.37897	3.7
685.93872	3.3
805.90601	2.7
853.42419	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	1050.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	0.9
79.05009	1.3
79.05460	35.9
81.03368	3.2
81.07021	23.2
83.04942	3.5
83.08597	3.9
85.06488	1.1
91.05441	25.5
93.07013	30.9
95.04916	9.7
95.08564	12.6
97.06477	3.7
97.10118	1.7
103.05424	1.4
105.06995	13.2
107.04912	5.3
107.08553	12.3
109.06478	1.1
109.10117	4.9
115.05415	3.4
116.74400	0.9
117.06990	7.0
119.08512	8.3
121.02796	1.3
121.10097	13.2
123.04367	3.3
123.08024	1.3
128.06213	1.7
129.06924	5.8
131.08499	8.9
133.06436	1.1
133.10138	6.7
135.11636	7.1
141.06982	4.0
143.08481	1.6
145.02820	0.9
145.06427	3.0
145.10077	7.1
147.04300	1.8
147.11638	3.6
149.05981	1.4
149.09564	2.9
149.13246	1.4
153.06941	5.6
155.08484	1.8
157.06430	4.9
159.07945	0.9
159.11600	1.7
161.05908	15.2
163.03854	10.9
163.07538	1.2
163.11073	5.6
165.05438	4.2
165.06874	1.4
167.08540	1.3
169.06422	4.3
171.08005	1.8
173.05914	87.1
173.09567	4.2
173.13168	3.1
174.59720	0.8
175.07411	5.9
177.05367	1.8
179.02234	0.8
179.08434	1.2
181.06424	9.8
183.08073	2.6
185.05917	10.0
187.03862	4.0
187.07475	19.5
189.05354	9.3
189.09021	1.4
191.03342	1.0
191.10612	1.7
193.06461	1.5
195.07991	4.4
197.05954	8.7
199.03819	1.8
199.07457	24.7
201.03519	1.1
201.05396	34.5
201.09059	3.9
203.06943	1.2
207.07964	3.4
209.05956	1.2
210.06793	1.4
211.07492	13.6
213.05411	25.4
213.08949	11.1
215.06966	11.4
215.10605	1.2
215.17841	4.9
217.04895	100.0
218.05260	1.0
223.07480	3.6
224.19174	0.8
225.05370	8.0
225.08968	4.3
226.06108	1.8
227.06894	12.1
227.10497	1.1
229.04890	13.0
231.17360	1.4
233.18852	5.6
235.07422	1.4
237.09085	1.2
239.06897	3.6
239.10573	1.3
241.04761	3.1
241.08443	1.8
243.06407	3.7
245.97655	1.0
249.08957	0.9
249.12650	1.1
251.10652	1.1
253.08478	1.8
253.11911	1.1
263.14246	1.1
265.12106	1.7
267.13629	6.4
275.10641	1.0
277.12109	1.3
281.15070	3.4
283.13336	5.6
285.14697	3.1
291.13721	4.2
291.19302	0.9
293.11386	1.3
299.16345	1.1
307.22543	14.6
309.14783	5.3
311.12735	19.1
311.16113	1.3
313.14188	12.1
319.13266	1.2
327.15720	6.6
329.13721	51.2
337.14264	9.7
347.14740	1.3
355.15234	15.3
373.16309	7.7
385.16309	57.9
387.17459	1.1
401.19608	1.0
403.17413	8.9
405.43896	0.9
411.17700	7.4
429.18945	45.1
447.19763	4.3
451.35834	0.9
485.17990	1.0
529.20404	1.3
577.21918	0.9
617.34216	6.6
621.25360	10.6
633.36444	1.2
635.35596	15.7
643.35907	1.5
661.37347	14.2
679.38110	24.8
809.41058	2.6
835.41943	1.3
853.43445	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	1050.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05456	57.3
81.03365	7.3
81.07022	53.5
82.72346	1.7
83.04946	3.5
83.08596	7.1
85.02834	1.8
85.06512	2.2
91.05444	50.3
93.07002	47.9
95.04943	16.3
95.08572	30.2
97.06493	3.5
97.35793	1.7
99.26786	1.6
103.06557	1.8
105.06979	20.2
107.04932	2.5
107.08552	22.7
109.06451	3.1
109.10141	14.1
115.05421	2.9
117.06993	14.3
119.08538	19.8
121.06450	3.6
121.10098	18.0
123.04367	2.3
123.11655	3.0
131.08487	12.5
133.06461	2.5
133.10085	8.7
135.04341	2.4
135.08006	8.8
135.11659	8.4
137.09485	2.6
140.40764	1.9
141.06931	10.5
143.04961	1.7
145.06459	9.2
145.10094	7.4
147.04373	8.0
147.08038	2.7
147.11618	3.1
149.05907	3.0
149.09790	1.8
149.13248	3.9
153.06964	6.9
155.04919	2.5
157.06468	3.3
157.10107	2.1
159.11671	2.5
161.05917	18.0
163.03838	24.3
163.07512	3.3
165.06932	4.0
165.08888	2.0
166.07843	2.0
167.08563	2.4
169.06389	3.0
171.04367	4.3
171.11621	2.1
173.05907	100.0
173.13150	3.0
175.03807	4.2
175.07472	3.3
177.05489	3.1
179.08549	2.1
181.06421	9.5
181.09837	1.8
183.04301	3.6
183.08003	2.5
184.05104	2.4
185.05919	13.6
187.03806	7.2
187.07481	20.1
189.05386	11.3
191.08455	3.0
193.06461	2.7
193.10022	13.5
194.07367	2.4
195.07985	2.9
197.05881	23.6
198.06657	10.1
199.03812	13.0
199.07437	14.1
200.04622	7.6
201.05391	46.9
203.06880	2.7
207.08018	2.4
207.11674	2.5
209.05908	2.6
209.09561	7.6
210.06717	3.2
211.07452	21.4
212.08159	3.0
213.05409	38.7
213.08974	7.7
214.05859	2.2
215.06944	13.2
217.04875	64.7
219.08043	7.2
221.09564	27.1
223.07506	9.0
225.05418	13.0
225.09077	4.3
226.06079	2.7
227.03255	4.2
227.07007	10.6
227.10605	3.4
229.04877	12.8
235.11063	8.7
237.09021	8.2
239.06897	11.2
239.10579	35.2
241.04929	2.5
243.06415	3.3
245.09671	3.6
247.07578	2.9
248.08043	2.4
249.09111	3.7
250.72136	1.8
251.10756	2.3
253.12195	12.1
255.10014	8.8
257.11694	2.2
259.20303	2.6
261.22098	11.2
263.10583	10.4
265.08478	6.7
267.10046	9.7
281.11627	23.1
283.09531	62.5
285.10974	3.4
291.10065	9.0
291.13562	2.2
299.12628	8.6
301.10565	37.3
307.22537	3.6
309.11276	16.1
309.14209	3.0
311.12793	3.2
327.12289	17.4
335.25647	26.7
337.14224	3.0
345.13120	13.4
355.15051	4.2
357.13278	21.4
375.14157	16.3
377.17599	1.9
383.14978	12.2
385.16165	3.0
401.15778	39.3
411.17844	5.9
419.16776	6.8
429.18787	11.4
471.47842	2.2
545.25165	2.1
565.74982	1.8
593.21625	3.4
617.33771	10.3
635.35461	41.9
643.35846	9.0
661.27087	2.8
661.37164	57.2
679.27264	3.0
679.38080	74.4
835.41974	3.3
853.43439	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	1046.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
77.01970	0.9
79.05463	36.5
81.03387	57.9
81.07027	38.3
83.04951	16.2
83.08593	18.1
85.02873	17.6
86.09675	13.4
89.03863	1.8
91.05445	43.7
93.03406	0.9
93.07014	27.3
95.04939	31.2
95.08571	15.8
97.02858	4.7
97.06474	6.3
97.10114	4.3
98.98460	1.4
99.08051	1.8
103.05412	4.1
105.07001	34.5
107.04929	12.1
107.08570	11.9
109.06496	6.9
109.10107	6.2
109.10827	1.0
111.04391	8.0
111.08078	7.8
113.05974	1.3
115.05425	8.7
117.03344	1.7
117.06980	8.5
119.04918	1.1
119.08531	25.3
121.06451	2.2
121.10078	11.2
123.04388	22.9
123.08016	6.1
123.11646	1.5
124.99970	10.3
128.06165	1.9
129.06955	19.4
131.04889	5.9
131.08514	18.9
133.06425	4.5
133.10085	14.8
135.04373	7.1
135.11668	2.1
137.02324	7.6
137.05894	1.5
137.09563	1.1
139.03905	3.7
139.05441	1.2
141.06963	7.7
142.07751	2.2
143.04858	7.5
143.08545	4.8
145.02776	1.7
145.06456	6.9
145.10104	7.7
147.04367	8.0
147.07990	5.3
147.11650	14.0
149.05942	5.1
149.09586	11.6
151.03867	2.2
151.11134	1.4
153.06961	8.9
155.04811	1.3
155.08482	5.1
157.05205	1.5
157.06418	10.2
157.10100	12.5
159.04375	2.2
159.07951	1.9
161.05922	20.8
161.09456	1.3
163.03847	29.0
163.11113	15.1
165.05431	1.6
165.06961	5.2
165.12694	1.7
166.07745	1.5
167.04858	2.0
167.08560	6.0
169.06415	12.1
171.04366	3.9
171.08009	2.4
171.11629	1.5
173.02364	2.3
173.05907	39.2
173.09593	2.1
175.03859	26.8
175.07529	7.8
175.11136	14.6
177.05388	10.9
179.08513	5.0
181.06422	21.9
181.10052	2.1
183.07921	5.4
184.07274	34.6
185.05936	9.6
185.09412	1.1
187.03886	7.7
187.07484	17.3
189.05409	36.5
189.07083	1.5
191.03287	1.7
191.06999	1.4
193.04918	1.4
193.06442	5.4
193.12178	29.8
195.08043	11.5
197.05899	23.4
197.09586	1.7
198.06664	1.9
199.03835	10.6
199.07484	24.4
201.05396	25.6
201.09061	6.1
203.03333	1.2
203.06985	4.8
203.08627	1.7
207.02794	4.4
207.08011	5.5
209.05988	2.3
209.09480	1.3
210.06691	2.4
211.07483	29.3
211.13231	26.6
212.08150	2.0
213.05411	22.3
213.09023	12.2
214.05974	1.4
215.03384	15.8
215.06911	18.7
217.04907	39.5
217.10231	1.2
218.05296	1.9
219.07973	2.1
219.67667	1.0
221.09543	5.1
223.07433	8.5
225.05417	35.0
225.09032	5.8
226.06186	4.9
227.06955	25.5
227.10489	2.0
229.04924	7.1
229.08440	1.3
231.02737	2.3
231.06352	22.8
231.08202	1.1
233.04382	4.3
233.09515	1.4
235.07513	5.2
237.09047	2.6
239.06917	25.5
239.10724	3.7
240.07457	1.6
241.04889	6.9
241.08525	4.6
242.05574	1.6
243.06390	6.3
245.13277	2.5
247.07504	1.8
249.08983	5.9
250.09641	1.9
251.06973	5.3
251.10539	1.9
253.08493	8.7
255.06416	3.9
257.04343	6.9
257.08035	1.4
261.09003	1.2
263.10492	4.3
263.14288	4.3
265.08527	2.2
267.06525	2.3
267.09872	2.5
267.13419	2.4
267.15961	14.1
273.12607	9.4
275.10535	1.6
276.11163	1.7
277.08508	2.1
279.13846	1.4
281.08160	4.1
281.15289	7.7
283.16705	1.2
285.16931	35.2
291.10425	1.9
291.13620	16.7
293.11276	1.5
293.15411	1.2
295.09616	1.8
295.12860	1.1
299.16364	8.7
301.12131	9.9
309.14737	26.0
311.12860	2.2
311.16238	1.8
319.13199	24.4
327.15787	36.8
329.13727	4.3
337.14224	51.1
338.14508	2.0
343.15314	2.6
345.16907	5.1
355.15283	52.7
367.17383	2.4
373.16412	12.0
399.18011	4.6
401.19452	2.4
411.17993	11.9
429.18939	59.4
430.19269	4.3
447.19876	5.7
464.72784	1.2
501.20416	1.6
511.26221	1.3
529.19324	9.2
529.26794	4.9
547.27289	3.3
565.27960	1.6
593.30750	2.5
603.29565	16.4
611.31689	2.0
621.30896	72.0
622.30365	2.3
639.31439	100.0
640.31104	2.0
656.30481	1.9
657.31866	8.2
674.36200	1.3
777.34473	1.4
795.35400	7.0
813.36511	23.7
813.61078	1.4
831.37640	26.9
996.42877	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	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
56.08947	0.0
58.06578	1.4
59.07361	0.6
60.08143	18.0
64.32409	0.0
69.03407	0.3
86.06039	0.2
86.09651	0.0
87.04446	0.7
104.10707	100.0
105.11032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1042.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09674	45.5
87.09998	0.1
90.55452	0.1
91.05434	0.1
98.98428	7.3
104.10703	4.6
116.99454	0.2
124.99958	35.9
143.01038	0.8
147.08441	0.1
149.02292	0.4
149.12489	0.1
163.01515	0.1
184.07278	100.0
185.07655	0.4
193.04953	0.2
496.33850	0.1
850.48053	0.8
1024.51965	0.2
1042.54675	24.0
1043.54578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.519
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05472	12.2
79.72270	0.5
80.85119	0.5
81.03391	5.1
81.07035	9.4
83.04953	2.3
83.08614	0.6
91.05441	8.2
93.07015	10.5
93.36214	0.6
95.04921	4.3
95.08561	8.4
97.02841	0.9
100.59247	0.5
105.07001	5.0
107.08548	5.4
109.06446	0.7
109.10138	2.4
111.04392	0.8
115.05415	2.9
117.06953	2.1
119.08546	3.5
121.06512	0.5
121.10095	3.7
127.03819	0.9
129.06967	2.1
131.08522	2.1
133.06474	0.7
133.10101	1.2
135.11652	2.1
137.05923	0.6
143.08517	0.9
145.06462	0.7
145.10120	0.8
146.29243	0.6
147.11668	0.9
153.06956	1.1
155.04858	0.7
161.05934	8.6
163.03857	0.6
163.70688	0.5
165.07106	0.7
167.08498	2.2
169.06395	0.6
171.04398	0.6
173.05917	52.2
175.04036	0.7
175.07497	0.6
177.05290	0.5
179.08490	0.8
181.06422	3.3
183.08003	0.7
184.07289	0.6
185.05925	3.2
187.03780	1.0
187.06042	1.2
187.07504	5.7
189.05325	4.0
195.07916	2.2
197.05888	2.3
198.06750	0.6
199.07495	12.9
201.05412	27.9
201.09061	0.6
209.09459	0.5
210.06721	0.8
211.07451	5.3
213.05438	4.7
213.09012	6.3
215.07010	2.1
217.04898	100.0
223.07486	2.7
225.05391	0.7
225.09064	2.7
227.06990	4.4
227.10591	1.0
229.04921	2.2
235.79713	0.6
239.06943	0.8
241.04732	0.9
241.08592	2.1
241.12119	0.7
243.06349	0.8
243.20950	1.1
250.09877	0.6
251.10692	1.1
255.13680	1.1
261.22089	2.9
265.12164	3.4
267.13687	3.1
273.07492	1.0
275.10480	0.6
283.13205	3.0
285.14719	2.2
287.12830	0.8
293.11795	1.3
311.12686	17.8
313.14191	10.6
327.15894	1.2
329.13736	41.4
335.25674	8.7
337.14093	2.2
347.14639	2.1
355.15240	2.7
373.16418	0.7
385.16339	34.2
387.17819	3.5
403.17422	5.8
411.17920	2.1
429.18872	3.2
571.33850	0.8
573.22791	3.4
589.33575	1.2
645.37573	5.3
647.38672	2.3
663.38727	23.2
689.39899	3.0
707.40936	2.4
737.55249	0.6
807.41943	0.9
833.43475	1.8
851.45068	5.9
863.45386	1.1
881.44354	0.8
1025.49292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04970	6.0
72.76995	1.6
74.92554	1.4
77.03886	1.4
79.05460	44.8
81.03391	67.2
81.07031	46.8
83.04954	19.4
83.08590	27.5
85.02877	21.0
86.09654	2.2
91.05445	56.3
93.07011	33.0
95.04932	39.2
95.08565	22.8
97.02850	4.0
97.06496	3.0
97.10136	7.2
100.34831	1.7
103.05431	2.1
105.07003	41.1
107.04298	1.4
107.04924	15.1
107.08557	17.6
109.06487	7.3
109.10117	7.7
111.04412	3.9
111.08050	8.7
115.05421	6.3
117.06985	3.8
119.08546	27.6
121.06458	3.6
121.10094	11.2
123.04391	7.5
123.08033	6.8
123.11675	1.5
124.99946	2.0
125.09614	3.0
128.06189	3.6
129.06950	24.0
131.04881	3.6
131.08519	17.5
133.06453	6.6
133.10075	15.5
135.04372	3.5
135.08040	2.2
137.05878	2.4
137.09563	2.0
139.05257	1.5
141.06960	7.8
142.07751	6.6
145.06445	5.7
145.10080	6.4
147.04393	6.4
147.08049	3.1
147.11667	17.0
149.05936	3.0
149.09604	11.0
152.06145	1.7
153.06926	15.9
155.08476	2.2
157.06433	6.7
157.10068	19.5
159.04367	3.1
160.05289	1.6
161.05943	21.2
163.03807	17.2
163.11134	7.0
165.06900	3.0
165.12675	3.2
167.04858	6.1
167.08533	7.7
169.06345	14.2
171.07999	6.6
173.02347	2.3
173.05919	92.2
173.09541	3.2
174.06282	3.9
175.03865	6.5
175.07504	10.2
175.11119	12.1
177.05434	6.9
179.08516	3.0
181.06401	30.3
183.04332	2.5
183.07974	8.0
184.05060	2.5
184.07256	6.7
185.05971	17.5
187.03812	3.9
187.07480	34.6
189.05342	13.3
190.61134	1.9
191.10452	2.3
193.06407	3.7
193.12186	38.0
195.04376	2.3
195.08002	15.8
197.05919	37.8
198.06647	6.1
199.03897	7.8
199.07491	47.0
200.04628	3.1
201.05421	44.8
201.09045	7.4
203.06964	9.3
207.08107	8.6
209.05927	2.6
209.09555	2.2
210.06633	2.4
211.07495	33.0
211.13239	40.1
212.08395	2.3
213.05403	73.2
213.08911	20.3
215.06955	23.7
217.04904	100.0
218.05307	6.6
221.09537	3.5
221.13330	1.9
222.06703	1.6
223.07469	11.0
225.05444	38.7
225.09015	8.0
226.06168	12.9
226.09497	1.5
227.06949	42.8
227.10492	4.8
229.04941	18.5
229.08481	2.9
231.06410	2.8
235.07504	7.1
237.05354	1.8
237.09079	2.7
239.06943	20.6
239.10539	5.1
241.04868	2.8
241.08658	3.3
243.06462	10.0
247.10954	2.0
249.09070	6.0
249.12666	6.8
251.06908	3.6
251.10568	2.7
252.07533	2.4
253.08487	7.4
253.12201	3.1
257.08005	2.4
263.10742	2.4
265.08774	3.0
265.12198	6.1
267.13300	12.3
267.16205	13.0
273.12579	2.7
275.10712	2.5
277.12244	2.7
281.15259	10.6
283.13120	3.0
285.14178	2.9
285.17102	25.9
291.13745	11.3
293.11716	3.0
295.13229	7.7
301.12192	6.3
303.15881	2.2
309.14767	21.4
311.12747	17.2
311.16068	2.6
313.14227	17.3
319.13260	9.5
327.15659	24.5
329.13705	43.2
337.14209	52.6
339.15796	2.5
355.15298	73.7
373.16458	12.0
385.16318	47.0
386.16779	7.0
401.19870	2.3
403.17212	3.4
411.17862	51.7
429.18954	73.6
430.19403	6.3
447.19977	8.8
485.17911	1.8
511.19232	7.7
529.20184	3.3
547.27582	2.1
575.16736	1.7
595.28760	17.0
603.30011	26.0
610.25073	1.7
611.29919	3.3
612.28314	3.6
613.29510	10.6
621.30768	73.0
639.31421	84.3
640.32245	2.2
657.32483	31.4
769.33185	6.1
783.35345	2.6
795.35052	9.7
796.48743	2.0
813.36829	23.9
831.37769	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01310	0.6
71.04945	1.8
79.05010	0.5
79.05457	14.0
79.49828	0.3
81.03383	22.7
81.07022	15.6
83.04948	7.3
83.08583	7.7
85.02381	0.3
85.02872	7.6
85.06526	0.4
86.09633	0.3
91.05437	21.1
93.03381	0.4
93.06430	0.3
93.07004	9.1
95.04925	13.3
95.08560	6.5
97.02835	1.6
97.06483	2.2
97.10130	2.3
103.05424	0.5
105.04456	0.6
105.06284	0.5
105.06988	12.3
107.04909	6.1
107.08569	4.2
109.02836	0.5
109.06464	2.6
109.10119	1.4
111.04389	1.8
111.08022	4.0
111.27236	0.3
113.05917	0.5
115.05415	3.3
117.06957	3.2
119.07728	0.6
119.08530	9.6
121.02762	0.6
121.06425	0.7
121.10085	5.2
123.04404	2.5
123.08031	2.3
123.11614	0.4
125.09563	0.7
127.07504	0.4
128.06154	1.5
129.06958	7.8
131.04852	0.6
131.08514	6.0
133.06436	2.9
133.10081	5.7
135.04399	1.1
135.11638	1.2
137.09557	0.6
139.05365	1.3
141.06943	2.3
142.07715	1.7
143.04852	1.2
143.08498	1.1
145.06453	1.5
145.10068	2.5
147.04338	1.8
147.08000	1.9
147.11644	5.4
149.05927	1.4
149.09555	4.5
153.06947	3.8
155.04843	1.2
155.05986	0.3
155.08495	1.8
157.06407	1.8
157.10052	6.6
160.05087	0.3
161.04579	0.4
161.05911	12.1
163.03827	9.1
163.07428	0.4
163.11115	2.7
163.67856	0.3
165.05385	2.0
165.06926	2.0
165.12740	0.6
167.04854	0.5
167.08517	1.9
169.06444	2.3
169.10075	0.5
171.04318	0.7
171.07982	1.6
173.05910	74.2
173.09552	2.7
174.06310	0.6
175.03827	2.9
175.07480	3.9
175.11105	5.7
177.05367	1.2
179.08505	1.3
181.06412	6.7
183.04340	1.2
183.08006	2.0
184.07207	0.5
185.04419	0.5
185.05919	5.6
187.03844	1.9
187.07462	15.7
189.05376	5.8
189.09019	1.5
190.05914	0.4
191.03419	1.0
191.10576	1.2
193.06416	1.2
193.10333	0.5
193.12167	13.3
195.07945	3.4
197.05904	7.0
197.09572	0.5
198.06696	0.6
199.03825	0.6
199.07478	20.0
201.05391	28.3
201.09073	1.9
202.06187	0.4
203.06947	1.6
207.07944	1.3
209.05904	0.6
209.09526	0.3
210.06702	1.3
211.07477	8.3
211.11163	0.6
211.13210	17.3
212.08141	0.7
213.05424	10.1
213.08968	8.5
215.03410	0.4
215.06937	6.0
215.10445	0.4
217.04880	100.0
218.05164	0.4
219.11746	0.4
219.13739	1.6
221.09576	1.3
221.13095	0.3
223.07463	2.9
223.10960	0.3
224.08250	0.7
225.05431	4.9
225.08989	5.0
226.06131	1.7
227.06963	9.6
227.10571	1.3
229.04886	10.9
229.08521	1.4
231.06412	1.3
235.07492	1.1
237.09029	1.5
237.12747	0.4
239.06873	2.8
239.10677	1.5
241.04785	2.1
241.08534	2.3
241.12108	1.2
243.06339	2.6
247.11037	0.6
249.08969	1.3
249.12653	1.5
250.09801	0.6
251.07030	0.4
251.10579	1.3
253.08502	1.3
253.12314	0.4
255.06413	0.4
255.13707	1.9
257.07983	0.4
257.15302	1.2
263.07022	0.4
265.12042	3.9
265.14435	0.4
267.10742	0.5
267.13370	4.0
267.16232	2.5
273.07483	1.3
275.10547	1.6
281.15210	2.7
283.13226	4.5
285.14584	1.5
285.17169	7.0
291.13727	1.9
293.11670	2.2
295.12872	0.3
299.16229	0.7
309.14713	3.6
311.12659	22.5
311.15860	1.0
313.14169	7.8
319.13068	0.7
323.16241	0.4
327.15677	4.7
329.13696	60.3
330.13968	0.5
337.14224	6.0
347.14780	1.5
355.15277	13.5
373.16251	5.5
385.16284	70.6
386.16431	0.6
387.17773	0.5
403.17355	6.3
411.17874	1.3
429.18918	24.8
430.19040	0.4
447.19934	3.5
485.17819	1.8
529.20190	1.3
577.28064	2.9
595.28741	18.2
603.28870	1.5
613.29913	14.0
621.31482	7.8
626.97119	0.4
639.31403	13.8
657.32489	13.1
723.32898	0.5
751.32617	0.7
769.33990	3.5
787.34503	1.7
795.35303	1.7
813.36511	5.7
831.22968	0.5
831.37579	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	1026.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04955	2.0
71.77748	0.3
73.56422	0.4
76.46178	0.4
79.05001	0.8
79.05462	21.9
80.06264	0.4
81.03387	21.7
81.06547	0.8
81.07027	21.1
83.01320	3.1
83.04955	7.2
83.08587	5.0
85.02876	1.8
89.03887	0.7
89.95248	0.3
91.05447	22.1
92.06255	0.4
93.07004	26.5
95.04938	9.8
95.08568	10.2
97.02867	1.5
97.06499	3.2
97.10124	2.7
99.04392	0.5
103.05405	1.4
105.06998	17.2
107.04909	5.5
107.08562	10.3
109.06477	4.9
109.10145	4.7
109.88031	0.4
111.04437	0.5
111.08049	2.0
115.05437	2.6
116.06200	0.5
117.03336	0.8
117.06992	5.6
119.08538	12.9
121.06495	2.7
121.10101	12.0
122.10925	0.5
123.04373	0.6
123.08008	4.2
123.11678	1.7
125.05914	0.4
125.09622	0.7
128.06186	1.5
129.06949	5.3
130.07768	1.5
131.04904	2.2
131.08536	6.9
132.09357	0.8
133.02834	2.4
133.06430	1.3
133.10077	7.2
135.04395	3.8
135.08047	1.8
135.11623	3.9
137.09601	1.8
141.06996	0.7
143.08511	0.7
145.02808	2.9
145.06401	2.8
145.10091	7.1
147.04375	3.3
147.08064	1.8
147.11639	6.0
149.05952	1.7
149.09596	7.3
150.10405	0.5
151.11180	1.6
153.06877	0.4
153.12723	0.4
155.04903	0.6
155.08467	0.6
157.06441	3.9
157.10060	3.1
159.04364	8.7
159.08018	0.5
159.11655	0.5
161.02284	6.1
161.05972	1.5
163.03848	36.0
163.11107	7.7
165.05438	0.5
165.06903	0.8
165.12677	3.2
169.06459	1.8
171.04388	1.9
171.08017	0.9
173.02277	14.5
173.05891	5.2
173.09578	0.7
175.03850	3.2
175.07458	0.5
175.11168	2.0
176.11890	2.8
177.05431	0.8
179.08467	0.6
181.06464	2.3
181.12289	1.3
183.04393	0.6
183.08008	2.5
185.05952	5.6
187.03839	18.5
187.07516	2.0
189.05441	2.5
191.03362	0.6
191.10660	0.4
193.10312	0.4
193.12236	1.7
195.07986	0.7
197.05966	2.1
197.09602	0.7
199.03842	10.8
199.07524	1.7
201.05391	7.5
201.09123	0.7
203.03400	2.4
203.07051	0.5
205.04927	0.6
209.06065	0.4
209.11656	0.7
211.07523	1.5
213.05412	21.2
215.03317	0.5
215.07001	2.8
217.05013	1.7
221.13300	0.5
223.11122	0.8
225.05450	4.0
225.08995	0.5
227.06993	3.6
229.04947	1.5
231.06502	0.6
239.07045	1.7
239.14279	0.5
241.08487	0.6
241.12244	0.7
243.06367	0.4
249.12622	1.5
265.12140	1.7
267.13678	12.4
283.13123	3.3
283.15689	10.1
285.14758	3.6
293.11572	5.6
309.14883	2.5
311.12723	6.7
311.16132	1.0
313.14301	0.5
319.13162	0.7
327.15775	3.9
329.13821	0.5
333.81927	0.4
337.14227	6.6
355.15292	14.6
355.19492	0.7
373.16531	1.9
411.17975	5.1
429.18945	60.0
430.19443	0.6
447.20129	2.0
475.26657	0.6
476.27484	0.4
619.28809	4.7
621.25061	1.9
637.29907	38.8
638.30151	0.6
655.30945	100.0
656.31335	2.4
811.34204	3.3
829.36261	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	1026.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01299	1.3
71.04962	2.3
73.02876	0.4
79.05016	0.7
79.05458	15.4
81.03382	6.7
81.07024	13.5
83.01305	4.1
83.04945	9.0
83.08587	4.5
85.02854	2.6
85.06512	0.3
89.26689	0.3
90.44473	0.3
91.04897	0.6
91.05438	12.9
93.03353	0.4
93.06431	0.6
93.07001	14.7
95.04927	7.2
95.08567	5.5
97.02839	1.7
97.06507	2.5
97.10107	1.4
99.04424	0.7
103.05401	0.8
105.06313	0.4
105.06998	8.5
107.04916	8.1
107.08556	8.0
109.06465	4.0
109.10115	2.2
111.04422	2.8
111.08051	0.7
115.05415	3.5
117.06972	5.0
119.05976	0.3
119.08527	6.3
119.16856	0.3
121.02807	0.6
121.06439	1.7
121.10094	5.2
123.04387	3.1
123.08012	4.7
125.05948	0.5
125.09564	0.5
128.06172	0.8
129.06961	4.2
130.07748	0.7
131.04874	1.6
131.08505	3.5
133.06415	1.5
133.10081	2.3
135.04341	1.3
135.07988	0.7
135.11667	4.1
137.09566	0.7
139.05357	0.7
141.06969	2.2
141.50140	0.3
143.04868	0.4
143.08516	1.5
145.02803	0.5
145.06477	2.9
145.10075	8.7
147.04321	1.3
147.07980	1.4
147.11646	0.5
149.05913	1.9
149.06961	0.3
149.09601	2.4
151.03889	0.3
152.06139	0.5
153.06947	4.1
153.12706	0.7
155.04781	1.3
155.08470	2.4
157.06470	2.6
157.10046	0.5
159.07990	0.5
161.05907	13.3
161.07198	0.5
163.03844	8.0
163.07480	0.5
163.11124	13.0
165.05374	3.0
165.06914	1.6
167.04808	0.7
167.08510	1.8
169.06398	3.4
170.06992	0.4
171.04285	1.3
171.07976	3.0
173.05910	74.9
173.09480	4.5
174.06519	0.4
175.03888	2.4
175.07506	4.9
175.11121	0.4
177.05301	1.2
179.08492	1.3
181.06413	7.1
181.09924	0.5
181.12187	0.6
183.04320	0.5
183.07968	2.3
184.05077	0.4
185.05908	6.7
185.09656	0.3
186.06859	0.4
187.03819	2.5
187.07468	15.5
189.05380	6.9
189.09029	1.4
191.03300	0.8
191.10594	4.0
193.06404	1.4
193.10014	0.4
195.07968	4.0
197.05896	8.5
197.09450	0.3
198.06735	1.6
199.03856	2.6
199.07472	20.9
199.09334	0.7
200.04597	1.1
201.05391	27.9
201.09027	2.1
203.06941	1.5
207.07976	1.3
207.11562	0.4
209.05945	1.4
209.09673	0.6
209.11670	1.9
210.06636	1.5
211.07448	10.5
213.05411	20.0
213.08980	8.6
214.05984	0.5
215.03363	0.6
215.06938	6.9
217.04883	100.0
218.05177	0.7
219.11618	0.4
221.05803	0.7
221.09552	0.7
221.13103	0.5
223.07491	3.6
224.08206	0.5
225.05438	6.9
225.08928	3.7
226.06175	1.9
227.03506	1.0
227.06934	10.1
227.10558	1.2
227.12708	1.7
228.07457	0.5
229.04872	12.4
229.08495	2.1
231.06319	0.7
235.07437	1.3
237.09053	1.7
239.06953	3.8
239.10571	2.1
241.04915	2.5
241.08510	2.2
241.12074	1.3
243.06369	3.1
245.13179	0.4
247.11020	0.7
249.08980	1.2
249.12677	1.8
251.06859	0.5
251.10649	1.1
252.07770	0.5
253.08505	0.7
255.06496	0.5
255.13713	1.3
257.15268	0.8
263.14145	0.6
265.09412	0.4
265.12103	4.5
265.14334	0.6
267.13629	5.3
269.07864	0.5
271.16855	0.5
273.07315	0.6
273.12540	0.6
275.10693	0.6
276.11179	0.4
281.15219	2.3
283.13239	1.8
283.15472	14.0
285.10007	0.6
285.14734	3.5
291.10379	0.4
291.13556	2.3
293.11575	2.5
295.13205	1.3
299.16339	1.4
301.12128	0.7
309.14700	4.8
311.12653	22.7
313.14267	7.9
317.17361	0.5
319.13297	1.6
323.16272	0.5
327.15744	6.1
329.13699	56.4
330.14120	0.5
337.14194	11.1
347.14856	2.8
355.15247	13.8
373.16287	6.2
385.16299	78.6
386.16681	0.6
401.19562	0.4
403.17392	5.6
411.17908	9.3
429.18915	25.3
442.15262	0.4
447.20013	2.1
485.17670	1.7
491.52420	0.4
529.20422	1.7
593.27081	1.5
601.27405	0.4
603.23859	0.7
611.28302	43.9
612.28204	0.7
619.28900	3.3
621.25073	4.3
637.29877	18.6
655.30902	34.2
656.30652	0.6
767.32806	3.1
785.33350	2.3
811.34967	3.6
829.36096	14.7
1056.49341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.547
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02882	2.9
78.08582	1.2
79.82427	1.3
81.03383	1.6
81.06992	2.2
85.02876	7.6
91.03916	3.3
91.05444	2.3
91.56165	1.3
93.06998	3.0
97.02840	3.4
102.78809	1.4
109.10136	5.6
129.29214	1.4
137.43921	1.3
145.10201	1.5
243.08292	2.1
347.09479	5.8
363.08942	2.7
371.83939	1.8
405.13373	7.5
413.17731	12.1
421.87509	1.5
519.28906	7.2
575.23138	14.6
617.24866	1.7
681.34381	11.4
691.39935	3.2
700.29431	1.5
742.01862	1.5
766.03644	1.7
853.45245	100.0
854.46234	2.3
881.47174	2.6
909.47559	3.0
1023.34790	2.0
1023.54315	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.6585
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04935	0.6
79.05439	4.2
81.07021	11.3
81.87941	0.6
83.04950	1.2
83.08561	1.0
86.31302	0.6
91.05443	7.4
91.69669	0.5
93.07011	11.6
94.72574	0.6
95.04939	4.4
95.08569	13.2
97.06499	1.1
99.08127	0.6
105.07000	21.9
107.08558	16.0
109.06503	2.7
109.10116	5.7
111.08049	0.9
117.06935	4.3
119.08541	32.2
121.10088	8.0
123.07977	4.2
123.11700	0.9
125.05935	1.1
129.06961	4.0
130.07707	1.2
131.08528	18.4
133.06499	0.7
133.10078	13.0
135.08012	3.7
135.11620	4.7
137.09570	2.7
137.13217	0.7
141.06949	1.1
142.07724	1.5
143.08510	11.6
145.06435	0.9
145.10075	25.5
147.07959	1.0
147.11630	10.1
149.05927	0.8
149.09579	2.3
149.13225	4.1
155.08487	5.2
156.09311	3.1
157.10071	16.0
158.10858	1.4
159.08049	1.3
159.11633	26.2
159.50600	0.6
161.09567	3.5
161.13191	9.5
163.07446	3.1
163.11130	2.5
163.14799	3.5
165.12762	0.6
167.08426	0.8
168.09341	1.1
169.10056	9.2
170.10828	2.7
171.11620	15.7
173.09682	1.0
173.13203	20.4
175.11139	3.1
175.14735	8.1
177.09126	0.6
177.12688	5.3
177.16342	1.0
181.10081	3.2
182.10881	3.1
183.11613	19.8
184.12363	0.7
185.13188	15.8
187.07463	0.9
187.11148	2.7
187.14758	14.8
189.05176	0.6
189.12682	1.5
189.16319	4.0
191.14253	3.4
195.11581	3.4
196.12315	0.7
197.13217	11.4
199.11165	1.3
199.14777	12.3
201.12685	33.8
201.16302	5.4
203.14288	4.0
203.17923	0.8
205.12126	5.5
205.15802	2.2
207.11664	1.3
207.13605	0.7
209.13206	4.0
211.14755	9.0
213.12720	1.1
213.16383	3.9
215.14236	5.5
215.17773	0.8
217.15823	3.1
219.13689	0.9
221.13191	2.3
221.15184	0.9
223.14772	3.0
225.16284	4.1
227.14211	1.5
229.15887	4.0
231.13713	1.4
231.17401	1.0
233.13145	0.7
233.15320	1.1
235.14745	2.5
236.15495	0.8
237.16307	4.2
239.17789	1.4
241.15880	0.6
243.13742	1.1
243.17303	0.9
245.15291	1.3
247.13106	12.9
247.16978	1.3
249.16249	1.1
251.17819	2.2
253.19382	1.1
257.15253	4.7
259.16757	0.7
263.18036	0.9
271.16937	0.8
277.19473	1.2
303.20877	1.3
317.22369	0.9
373.28561	0.8
383.27350	1.0
389.28256	0.7
391.30273	0.9
401.28317	7.0
403.29669	2.8
411.25418	2.4
417.27756	2.6
419.29254	16.7
421.30963	3.4
429.27579	2.6
435.28830	0.9
437.30411	8.9
439.27576	4.5
447.10776	0.7
447.28867	14.9
455.31339	3.0
465.29852	32.4
483.30893	100.0
484.31274	2.5
501.31906	29.7
518.34729	1.1
578.14807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.6279
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	9.1
71.08605	1.5
79.05459	76.0
81.03397	7.9
81.07027	100.0
83.04940	8.2
83.08585	13.5
85.02873	9.2
85.06513	3.2
88.00079	1.2
91.03929	5.6
91.05444	58.0
93.07007	91.0
95.04924	16.7
95.08571	62.4
95.09146	2.9
97.02840	5.9
97.06508	11.8
97.10142	3.2
103.05432	1.8
105.06997	39.6
105.81923	1.5
107.04923	2.8
107.08565	45.1
109.06500	8.0
109.10114	34.5
111.04405	2.2
111.08044	6.0
115.05465	2.1
117.06969	17.2
119.08536	32.2
121.06439	1.8
121.10112	30.0
123.08033	2.6
123.11661	7.6
123.78303	1.3
125.09579	3.4
127.03878	2.5
128.06195	1.7
129.06963	7.8
131.08521	28.9
133.10088	25.1
135.07968	2.3
135.11636	19.9
137.09563	2.7
141.07040	1.5
143.08524	3.1
145.04912	1.8
145.06416	1.7
145.10091	19.4
147.11610	14.6
149.09570	5.0
149.13205	16.0
155.08519	2.2
157.10062	3.1
159.11642	18.8
161.13202	8.0
163.11153	5.0
163.14818	2.0
166.20956	1.4
167.95068	1.4
169.10028	4.7
171.11688	2.5
173.11826	2.4
173.13232	8.4
175.11118	1.9
177.12619	3.3
179.14449	1.3
185.13219	3.0
187.14900	1.5
195.13777	6.2
197.13148	1.4
229.02438	1.3
229.14296	10.8
257.18936	3.2
259.20267	2.3
261.22098	8.3
269.17227	12.4
275.19897	18.6
280.09415	1.6
315.89801	1.4
335.25693	73.3
349.23486	15.0
381.26410	1.8
413.21356	5.8
417.51324	1.5
489.35745	11.9
529.38672	95.6
569.41467	15.9
609.44989	52.0
627.45593	9.2
637.40588	3.3
641.47644	16.4
655.41150	2.2
673.43097	19.0
691.43732	5.3
713.45862	2.1
803.51025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04981	4.0
73.02884	3.6
79.05462	75.6
81.03388	15.2
81.07028	100.0
81.42448	2.2
83.04940	11.1
83.08590	23.8
85.02876	27.4
85.06517	3.5
87.04424	2.5
91.03920	12.2
91.05450	48.3
92.09331	7.4
93.07008	81.7
95.04943	16.7
95.08573	64.9
97.02854	21.4
97.06491	4.4
97.10126	15.3
97.92271	2.1
99.08043	2.0
105.06996	29.5
107.04954	3.7
107.08564	41.1
109.06492	4.4
109.09399	4.0
109.10121	87.9
111.08058	2.8
117.06963	10.9
119.08541	27.2
121.10101	24.3
121.90549	1.9
122.42330	2.0
123.11658	8.3
125.09585	15.6
125.47497	2.6
127.03857	2.6
129.06981	2.9
129.56287	2.0
131.08546	16.0
133.10071	13.0
135.11650	16.4
145.10072	14.8
147.11613	13.9
149.13223	4.6
153.12764	2.9
155.10674	2.7
159.11646	5.0
161.13229	4.5
163.11165	7.9
171.11678	2.7
173.11676	22.2
173.13013	3.8
187.14687	4.2
199.13266	7.8
200.81244	2.6
209.11676	2.6
227.12761	4.9
229.14301	51.3
243.21053	3.7
257.13843	2.3
261.21964	20.2
267.15829	4.1
283.15219	4.7
301.16147	14.6
317.24533	3.9
335.25674	90.4
399.23621	11.0
477.35269	9.5
489.35721	27.9
543.36334	8.9
561.37714	16.1
579.38593	9.1
659.45062	63.0
985.64142	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	1002.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04936	4.0
71.05302	3.7
71.66228	3.6
79.05463	94.1
80.88524	3.7
81.03365	13.3
81.07023	100.0
83.04926	9.0
83.08594	17.0
85.02888	14.5
91.03918	4.7
91.05452	90.4
93.07002	96.2
95.04926	26.2
95.08573	51.9
97.02830	8.3
97.06499	16.7
97.10146	7.4
105.06993	94.1
107.04905	8.7
107.08565	55.5
109.06494	6.2
109.10107	16.0
117.06973	34.3
119.08536	81.2
120.93742	3.5
121.06380	3.9
121.10091	28.8
123.11701	4.9
128.06136	4.9
129.06927	22.4
131.08525	54.4
133.10088	45.1
135.11662	18.4
141.06903	4.6
143.08482	30.0
145.10095	39.7
147.08012	6.7
147.11641	32.5
149.09535	14.6
149.13220	14.8
155.08466	15.5
157.10088	21.1
159.11635	28.9
161.13159	16.2
169.10039	17.2
171.11594	24.6
173.13177	17.8
175.11011	4.4
175.14696	4.3
183.11636	18.6
184.07208	4.1
185.13243	21.4
188.16937	4.1
195.11539	6.0
197.13235	8.3
199.14774	5.4
211.14732	4.8
241.19463	18.0
259.20480	27.2
269.17401	7.0
273.18402	4.7
275.19980	17.0
333.24121	22.8
335.25742	8.3
349.23380	4.6
513.35571	29.8
527.37122	43.3
545.38708	5.0
607.43420	30.3
625.44446	52.4
643.45264	7.7
689.42554	5.6
769.47687	7.5
802.53699	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	1018.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
72.35439	2.9
73.02888	3.6
75.98091	2.5
79.05455	85.2
80.18307	2.9
81.03375	15.9
81.07024	100.0
83.04951	13.0
83.08594	21.9
85.02888	36.8
85.06519	5.7
87.04423	3.4
91.03905	15.0
91.05450	46.0
92.09358	2.7
93.07011	79.4
95.04920	17.4
95.08573	72.1
95.11060	2.8
97.02853	20.6
97.06484	11.7
97.10133	17.7
105.07022	28.8
106.35627	2.9
107.04935	6.1
107.08560	45.2
107.73856	2.7
109.06464	5.2
109.10114	91.9
111.08031	11.4
117.06965	7.3
117.16426	3.0
119.08535	31.7
121.10104	27.8
123.08009	4.4
123.11643	3.1
125.09577	19.8
127.03876	5.0
131.08521	17.4
133.10098	14.6
135.11667	19.1
135.74451	2.9
145.10086	15.4
147.11647	12.6
149.13208	6.4
153.12633	3.3
159.11618	5.7
163.11139	6.9
173.11659	19.3
173.13138	5.9
199.13295	4.6
201.16376	2.8
227.12605	4.0
229.14214	52.3
261.22113	20.7
301.16348	14.7
335.25714	67.7
399.23553	14.6
470.30060	3.2
477.35422	6.1
489.35538	27.0
543.36890	4.6
561.36969	12.9
579.38367	5.3
659.45044	32.8
926.82050	3.9
1016.11707	4.8
1018.57495	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	1002.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04936	4.0
71.05302	3.7
71.66228	3.6
79.05463	94.1
80.88524	3.7
81.03365	13.3
81.07023	100.0
83.04926	9.0
83.08594	17.0
85.02888	14.5
91.03918	4.7
91.05452	90.4
93.07002	96.2
95.04926	26.2
95.08573	51.9
97.02830	8.3
97.06499	16.7
97.10146	7.4
105.06993	94.1
107.04905	8.7
107.08565	55.5
109.06494	6.2
109.10107	16.0
117.06973	34.3
119.08536	81.2
120.93742	3.5
121.06380	3.9
121.10091	28.8
123.11701	4.9
128.06136	4.9
129.06927	22.4
131.08525	54.4
133.10088	45.1
135.11662	18.4
141.06903	4.6
143.08482	30.0
145.10095	39.7
147.08012	6.7
147.11641	32.5
149.09535	14.6
149.13220	14.8
155.08466	15.5
157.10088	21.1
159.11635	28.9
161.13159	16.2
169.10039	17.2
171.11594	24.6
173.13177	17.8
175.11011	4.4
175.14696	4.3
183.11636	18.6
184.07208	4.1
185.13243	21.4
188.16937	4.1
195.11539	6.0
197.13235	8.3
199.14774	5.4
211.14732	4.8
241.19463	18.0
259.20480	27.2
269.17401	7.0
273.18402	4.7
275.19980	17.0
333.24121	22.8
335.25742	8.3
349.23380	4.6
513.35571	29.8
527.37122	43.3
545.38708	5.0
607.43420	30.3
625.44446	52.4
643.45264	7.7
689.42554	5.6
769.47687	7.5
802.53699	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	1001.5996
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	3.9
79.05467	0.8
79.23413	0.7
81.03402	1.3
81.07049	3.0
85.02906	4.7
88.27680	0.8
90.44790	0.8
91.03935	2.9
92.08668	2.4
93.07023	1.1
97.02887	4.1
104.12933	0.7
114.36658	0.7
127.03880	1.1
133.66939	0.9
157.19324	0.7
213.50073	0.8
243.08527	1.0
347.09567	3.9
365.23160	3.4
405.13550	6.1
413.17755	0.8
437.89890	0.7
493.19366	0.9
497.30966	5.9
575.23682	1.0
583.30792	7.4
659.36072	5.8
745.35657	6.1
839.54541	3.0
1001.59888	100.0
1002.60272	5.3
END